A0A061I4I7_CRIGR Loading...

Protein disulfide-isomerase A5

AlphaFold DB , UniProt , Accession A0A061I4I7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 517 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	40	Very low	36.6	Very low	239 Å²	239	159.4 Å²	159.4	100%	1.177	88%	0.876	S	S	*	*				0	100.2	0	-59.3	-175.8	-138.2	0	0	106
2	A	35.7	Very low	36.4	Very low	95 Å²	95	152.3 Å²	152.3	79%	0.785	87%	0.866	S	S	*	*				53	119	66.6	0	0	0	0	0	110.4
3	R	36.3	Very low	36.2	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	85%	0.854	S	S	*	*			cis	-156	132.3	17.8	-81.4	159.1	161.9	-178.8	-6.7	106.7
4	A	36.8	Very low	36.3	Very low	100 Å²	100	148.4 Å²	148.4	83%	0.826	85%	0.851	S	S	*	*				61.1	104.9	76.6	0	0	0	0	0	115.3
5	W	38.9	Very low	35.9	Very low	265 Å²	265	148.1 Å²	148.1	100%	1.004	85%	0.845	S	S	*	*			trans	-71.5	143.2	172.2	-75.2	20.8	0	0	0	111.6
6	G	33.9	Very low	35.8	Very low	72 Å²	72	144.8 Å²	144.8	74%	0.742	83%	0.83	S	S	*	*			trans	-136.8	121.7	175.1	0	0	0	0	0	112.1
7	L	39.9	Very low	35.6	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	83%	0.826	S	S	*	*			trans	-56.7	141.8	167.7	-88.8	79.5	0	0	0	111.3
8	L	34.4	Very low	35.4	Very low	177 Å²	177	147.1 Å²	147.1	93%	0.927	83%	0.831	S	S	*	*			trans	-113.4	114.3	163.2	-89.1	159.1	0	0	0	109.6
9	L	35.4	Very low	35.2	Very low	152 Å²	152	148.1 Å²	148.1	80%	0.796	83%	0.832	S	S	*	*			trans	-67.6	130.6	170.6	-92.9	123.7	0	0	0	110.8	I11	L9-I11 PolarHBondContact O-N 3.41Å
10	A	35.3	Very low	35.1	Very low	104 Å²	104	146.2 Å²	146.2	86%	0.86	83%	0.83	S	S	*	*			trans	-77.1	109.8	166.3	0	0	0	0	0	109.7
11	I	35.6	Very low	35.3	Very low	145 Å²	145	143.7 Å²	143.7	74%	0.744	82%	0.821	S	S	*	*			trans	-95.5	107.3	167.8	-63.9	174.1	0	0	0	107.1	L9 V13	L9-I11 PolarHBondContact O-N 3.41Å; I11-V13 PolarHBondContact O-N 3.32Å
12	G	34.9	Very low	35.4	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	78%	0.779	S	S	*	*			trans	-69.8	106.8	169.3	0	0	0	0	0	110.1	V14	G12-V14 PolarHBondContact O-N 3.22Å
13	V	34.1	Very low	35.9	Very low	116 Å²	116	139.9 Å²	139.9	70%	0.703	78%	0.784	S	S	*	*			trans	-80.7	102.7	168	178.6	0	0	0	0	107.5	I11 L15	I11-V13 PolarHBondContact O-N 3.32Å; V13-L15 PolarHBondContact O-N 3.14Å; V13-L15 VanDerWaalsContact O-N 3.14Å
14	V	37.4	Very low	37	Very low	134 Å²	134	130.8 Å²	130.8	81%	0.812	76%	0.755	S	S	*	*			trans	-70.1	101.6	163.5	178	0	0	0	0	106.8	G12	G12-V14 PolarHBondContact O-N 3.22Å
15	L	29.5	Very low	38.6	Very low	145 Å²	145	127.5 Å²	127.5	76%	0.759	73%	0.726	S	S	*	*			trans	-64.9	124.5	166.4	-81.8	160.3	0	0	0	108	V13 A17	V13-L15 PolarHBondContact O-N 3.14Å; V13-L15 VanDerWaalsContact O-N 3.14Å; L15-A17 PolarHBondContact O-N 2.88Å; L15-A17 VanDerWaalsContact O-N 3.16Å
16	P	34.8	Very low	40.6	Very low	95 Å²	95	120.9 Å²	120.9	62%	0.617	72%	0.72	S	S	*	*			trans	-63.1	121.4	168.9	-10	24.3	0	0	0	107	W18	P16-W18 VanDerWaalsContact C-N 3.32Å; P16-W18 PolarHBondContact O-N 3.16Å
17	A	32.8	Very low	43	Very low	92 Å²	92	120.1 Å²	120.1	76%	0.76	70%	0.699	S	S	*	*			trans	-60.2	101	165	0	0	0	0	0	107.1	L15 L19	L15-A17 PolarHBondContact O-N 2.88Å; L15-A17 VanDerWaalsContact O-N 3.16Å; A17-L19 VanDerWaalsContact C-N 3.27Å; A17-L19 PolarHBondContact O-N 2.88Å
18	W	30.9	Very low	45.5	Very low	239 Å²	239	112.5 Å²	112.5	91%	0.905	66%	0.658	S	S	*	*			trans	-63.2	96.7	167	-84.6	63.1	0	0	0	106.7	P16 S20	P16-W18 VanDerWaalsContact C-N 3.32Å; P16-W18 PolarHBondContact O-N 3.16Å; W18-S20 PolarHBondContact O-N 3.01Å
19	L	32.3	Very low	48.1	Very low	165 Å²	165	109.2 Å²	109.2	86%	0.864	64%	0.639	S	S	*	*			trans	-54.8	109.3	165.3	-81.6	152.3	0	0	0	107	A17 S21	A17-L19 VanDerWaalsContact C-N 3.27Å; A17-L19 PolarHBondContact O-N 2.88Å; L19-S21 VanDerWaalsContact C-N 3.26Å; L19-S21 PolarHBondContact O-N 3.1Å
20	S	33.4	Very low	50.9	Low	111 Å²	111	106.7 Å²	106.7	78%	0.776	62%	0.618	S	S	*	*			trans	-59.2	92.4	167.2	160.1	0	0	0	0	108	W18 T22	W18-S20 PolarHBondContact O-N 3.01Å; S20-T22 PolarHBondContact O-N 2.83Å; S20-T22 VanDerWaalsContact O-N 3.1Å
21	S	38.2	Very low	53.8	Low	93 Å²	93	101.9 Å²	101.9	65%	0.65	58%	0.578	S	S	*	*			trans	-58	113.9	165.6	165	0	0	0	0	107.7	L19 K23	L19-S21 VanDerWaalsContact C-N 3.26Å; L19-S21 PolarHBondContact O-N 3.1Å; S21-K23 PolarHBondContact O-N 2.79Å
22	T	43.6	Very low	56.5	Low	48 Å²	48	96.2 Å²	96.2	29%	0.294	55%	0.551	S	S	.	*			trans	-55.3	105	168.7	5.9	0	0	0	0	107.8	S20 V24 E55 E59	S20-T22 PolarHBondContact O-N 2.83Å; S20-T22 VanDerWaalsContact O-N 3.1Å; T22-V24 VanDerWaalsContact C-N 3.28Å; T22-V24 PolarHBondContact O-N 2.71Å; T22-E55 PolarHBondContact OG1-OE1 2.97Å; T22-E59 HydrophobicContact CG2-CG 3.98Å
23	K	46.4	Very low	59.3	Low	206 Å²	206	96 Å²	96	90%	0.896	53%	0.533	S	S	*	.			trans	-64.6	92.4	175.6	-79.2	-175.4	178.6	178.7	0	108.6	S21 S25	S21-K23 PolarHBondContact O-N 2.79Å; K23-S25 PolarHBondContact O-N 3.29Å
24	V	58.9	Low	62.1	Low	44 Å²	44	92.1 Å²	92.1	27%	0.267	51%	0.51	S	S	.	.			trans	-58.8	130.7	164.6	-177.2	0	0	0	0	106.7	T22 S26 I28 L62 W80	T22-V24 VanDerWaalsContact C-N 3.28Å; T22-V24 PolarHBondContact O-N 2.71Å; V24-S26 PolarHBondContact O-N 2.68Å; V24-I28 HydrophobicContact CG1-CB 3.8Å; V24-I28 HydrophobicContact CG1-CG2 4.05Å; V24-L62 HydrophobicContact CG2-CD1 4.19Å; V24-W80 HydrophobicContact CG2-CE3 4.16Å; V24-W80 HydrophobicContact CG2-CZ3 3.92Å
25	S	71	Confident	64.8	Low	31 Å²	31	93.4 Å²	93.4	22%	0.217	51%	0.505	C	S	.	.			trans	-49.2	141.5	177.5	174.9	0	0	0	0	110.8	K23 L27 I28 S66	K23-S25 PolarHBondContact O-N 3.29Å; S25-L27 PolarHBondContact O-N 3.16Å; S25-L27 PolarHBondContact OG-N 3.23Å; S25-I28 PolarHBondContact O-N 3.49Å; S25-S66 WeakPolarHBondContact CB-OG 3.27Å; S25-S66 PolarHBondContact OG-OG 2.88Å
26	S	79.1	Confident	67.9	Low	125 Å²	125	90.2 Å²	90.2	87%	0.874	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-8.6	176.2	61.7	0	0	0	0	113.4	V24	V24-S26 PolarHBondContact O-N 2.68Å
27	L	84.8	Confident	70.8	Confident	57 Å²	57	85.8 Å²	85.8	30%	0.298	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-13.1	176.7	-59.4	176.9	0	0	0	113.8	S25 A69 Q70	S25-L27 PolarHBondContact O-N 3.16Å; S25-L27 PolarHBondContact OG-N 3.23Å; L27-A69 HydrophobicContact CB-CB 3.94Å; L27-A69 HydrophobicContact CD1-CB 4.4Å; L27-Q70 HydrophobicContact CD1-CB 4.02Å
28	I	92.6	Very high	73.7	Confident	9 Å²	9	86.9 Å²	86.9	5%	0.046	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.6	177.2	-58	177	0	0	0	108.4	V24 S25 L62 L65 A69 I78 W80	V24-I28 HydrophobicContact CG1-CB 3.8Å; V24-I28 HydrophobicContact CG1-CG2 4.05Å; S25-I28 PolarHBondContact O-N 3.49Å; I28-L62 HydrophobicContact CD1-CD2 4.15Å; I28-L62 HydrophobicContact CG2-CD2 4.11Å; I28-L65 HydrophobicContact CD1-CB 3.79Å; I28-A69 HydrophobicContact CG1-CB 4.44Å; I28-I78 HydrophobicContact CG1-CB 4.48Å; I28-I78 HydrophobicContact CG1-CG2 4.44Å; I28-W80 HydrophobicContact CG2-CB 3.98Å
29	E	90	Very high	76.7	Confident	109 Å²	109	82.1 Å²	82.1	51%	0.509	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.8	176.3	-170	175.6	175.2	0	0	110.1	I31 C79 W80	E29-I31 HydrophobicContact CG-CG1 4.14Å; E29-C79 HydrophobicContact CB-CB 4.47Å; E29-C79 WeakPolarHBondContact O-CA 3.4Å; E29-C79 VanDerWaalsContact O-CB 3.26Å; E29-C79 WeakPolarHBondContact O-CB 3.49Å; E29-W80 PolarHBondContact O-N 3.01Å
30	R	94.5	Very high	79.7	Confident	99 Å²	99	75 Å²	75	37%	0.374	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.7	167.8	179.7	178.4	173.1	162.4	-2	108.6	E55 W80 D85	R30-E55 IonicContact NH1-OE2 2.65Å; R30-W80 CarbonylContact C-O 3.59Å; R30-W80 WeakPolarHBondContact CA-O 3.41Å; R30-W80 HydrophobicContact CB-CE3 4.12Å; R30-W80 HydrophobicContact CB-CZ3 4.46Å; R30-W80 HydrophobicContact CG-CE3 4.03Å; R30-W80 HydrophobicContact CG-CZ3 4.15Å; R30-D85 IonicContact NH2-OD2 3.97Å; R30-D85 PolarHBondContact NH2-OD2 3.38Å
31	I	94.9	Very high	82.6	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.01	36%	0.362	C	S	.	.			trans	-120.3	128	-178.2	-59.1	179.4	0	0	0	110	E29 D36 L37 L40 C79 W80 V81 L91	E29-I31 HydrophobicContact CG-CG1 4.14Å; I31-D36 HydrophobicContact CG2-CB 4.01Å; I31-L37 HydrophobicContact CD1-CD1 4.11Å; I31-L37 HydrophobicContact CG2-CB 4.02Å; I31-L40 HydrophobicContact CD1-CB 4.43Å; I31-L40 HydrophobicContact CD1-CD2 3.7Å; I31-C79 HydrophobicContact CD1-CB 3.85Å; I31-C79 HydrophobicContact CG1-CB 4.34Å; I31-W80 PolarHBondContact N-O 2.77Å; I31-V81 HydrophobicContact CB-CG2 4.32Å; I31-L91 HydrophobicContact CG2-CD2 4.02Å
32	S	93.3	Very high	85.2	Confident	26 Å²	26	74.7 Å²	74.7	18%	0.182	36%	0.364	C	S	.	.			trans	-113.1	-28.4	176.3	-56.6	0	0	0	0	113	S88	S32-S88 WeakPolarHBondContact O-CA 3.44Å
33	D	93.3	Very high	87.6	Confident	70 Å²	70	76.8 Å²	76.8	37%	0.374	38%	0.377	S	S	.	.			trans	-97.2	134	-177.2	-166.6	-50.7	0	0	0	112.7	K35 D36 L37	D33-K35 PolarHBondContact O-N 3.06Å; D33-K35 VanDerWaalsContact OD1-CB 3.3Å; D33-K35 WeakPolarHBondContact OD1-CB 3.46Å; D33-K35 WeakPolarHBondContact OD1-CG 3.41Å; D33-K35 PolarHBondContact OD1-N 3.49Å; D33-D36 HydrophobicContact CB-CB 4.47Å; D33-D36 PolarHBondContact O-N 2.69Å; D33-D36 VanDerWaalsContact O-N 3.14Å; D33-L37 PolarHBondContact O-N 3.42Å
34	P	92.9	Very high	89.8	Confident	34 Å²	34	73 Å²	73	22%	0.221	36%	0.357	C	S	.	.	H	α-helix	trans	-55.4	-29	172	-22	28.9	0	0	0	116.7	K38 L91 K94	P34-K38 VanDerWaalsContact O-CB 3.29Å; P34-K38 WeakPolarHBondContact O-CB 3.36Å; P34-K38 PolarHBondContact O-N 3.24Å; P34-L91 HydrophobicContact CB-CD1 3.94Å; P34-L91 HydrophobicContact CG-CB 4.05Å; P34-L91 HydrophobicContact CG-CD1 4.03Å; P34-K94 HydrophobicContact CB-CD 4.29Å
35	K	93.5	Very high	91.5	Very high	161 Å²	161	75.6 Å²	75.6	70%	0.7	37%	0.37	S	S	*	.	H	α-helix	trans	-69.4	-39.2	176.8	-67.6	177.5	-179.5	173.8	0	110.9	D33 K38 K39	D33-K35 PolarHBondContact O-N 3.06Å; D33-K35 VanDerWaalsContact OD1-CB 3.3Å; D33-K35 WeakPolarHBondContact OD1-CB 3.46Å; D33-K35 WeakPolarHBondContact OD1-CG 3.41Å; D33-K35 PolarHBondContact OD1-N 3.49Å; K35-K38 PolarHBondContact O-N 3.47Å; K35-K39 WeakPolarHBondContact O-CB 3.31Å; K35-K39 PolarHBondContact O-N 3.41Å
36	D	94.8	Very high	92.7	Very high	79 Å²	79	75.2 Å²	75.2	42%	0.422	37%	0.365	S	S	.	.	H	α-helix	trans	-70	-43.9	179.6	-65.3	-28.2	0	0	0	110.8	I31 D33 K38 K39 L40	I31-D36 HydrophobicContact CG2-CB 4.01Å; D33-D36 HydrophobicContact CB-CB 4.47Å; D33-D36 PolarHBondContact O-N 2.69Å; D33-D36 VanDerWaalsContact O-N 3.14Å; D36-K38 VanDerWaalsContact C-N 3.32Å; D36-K38 PolarHBondContact O-N 3.44Å; D36-K39 WeakPolarHBondContact O-CB 3.41Å; D36-K39 PolarHBondContact O-N 2.89Å; D36-K39 VanDerWaalsContact O-N 3.14Å; D36-L40 PolarHBondContact O-N 2.92Å
37	L	94.8	Very high	93.6	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-46.1	172.1	-175.3	61.2	0	0	0	110.8	I31 D33 K39 L40 L41 V49 L91 M95	I31-L37 HydrophobicContact CD1-CD1 4.11Å; I31-L37 HydrophobicContact CG2-CB 4.02Å; D33-L37 PolarHBondContact O-N 3.42Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.19Å; L37-L40 PolarHBondContact O-N 3.07Å; L37-L41 HydrophobicContact CD1-CD1 4.43Å; L37-L41 HydrophobicContact CD1-CG 4.24Å; L37-L41 HydrophobicContact CG-CD1 4.1Å; L37-L41 HydrophobicContact CG-CG 4.29Å; L37-L41 WeakPolarHBondContact O-CB 3.28Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.46Å; L37-L41 PolarHBondContact O-N 3.33Å; L37-V49 HydrophobicContact CD1-CG2 4.17Å; L37-L91 HydrophobicContact CB-CD1 4.26Å; L37-L91 HydrophobicContact CB-CD2 4.43Å; L37-L91 HydrophobicContact CD2-CD1 3.74Å; L37-L91 HydrophobicContact CD2-CD2 4.44Å; L37-L91 HydrophobicContact CD2-CG 4.45Å; L37-M95 HydrophobicContact CD2-CE 4.1Å; L37-M95 HydrophobicContact CD2-CG 3.98Å; L37-M95 HydrophobicContact CD2-SD 4.09Å
38	K	94.4	Very high	94.2	Very high	115 Å²	115	66.6 Å²	66.6	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-36.2	177.7	-172.7	175.9	-177.3	178.4	0	112.4	P34 K35 D36 R42	P34-K38 VanDerWaalsContact O-CB 3.29Å; P34-K38 WeakPolarHBondContact O-CB 3.36Å; P34-K38 PolarHBondContact O-N 3.24Å; K35-K38 PolarHBondContact O-N 3.47Å; D36-K38 VanDerWaalsContact C-N 3.32Å; D36-K38 PolarHBondContact O-N 3.44Å; K38-R42 WeakPolarHBondContact O-CB 3.4Å; K38-R42 VanDerWaalsContact O-CG 3.27Å; K38-R42 WeakPolarHBondContact O-CG 3.37Å; K38-R42 PolarHBondContact O-N 2.84Å; K38-R42 VanDerWaalsContact O-N 3.12Å
39	K	95.1	Very high	94.5	Very high	140 Å²	140	66.1 Å²	66.1	61%	0.609	31%	0.307	S	S	*	.	H	α-helix	trans	-67.4	-43.9	175.2	-177.5	-175.5	175.5	-171.5	0	110.8	K35 D36 L37 R42 T43	K35-K39 WeakPolarHBondContact O-CB 3.31Å; K35-K39 PolarHBondContact O-N 3.41Å; D36-K39 WeakPolarHBondContact O-CB 3.41Å; D36-K39 PolarHBondContact O-N 2.89Å; D36-K39 VanDerWaalsContact O-N 3.14Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.19Å; K39-R42 PolarHBondContact O-N 3.15Å; K39-T43 WeakPolarHBondContact O-CG2 3.23Å; K39-T43 PolarHBondContact O-N 3.47Å; K39-T43 VanDerWaalsContact O-N 3.17Å; K39-T43 PolarHBondContact O-OG1 3.2Å
40	L	94	Very high	94.8	Very high	16 Å²	16	61 Å²	61	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-50.5	175.7	-174	68.9	0	0	0	110.9	I31 D36 L37 R42 T43 R44 V47 T77 C79	I31-L40 HydrophobicContact CD1-CB 4.43Å; I31-L40 HydrophobicContact CD1-CD2 3.7Å; D36-L40 PolarHBondContact O-N 2.92Å; L37-L40 PolarHBondContact O-N 3.07Å; L40-R42 PolarHBondContact O-N 3.41Å; L40-T43 PolarHBondContact O-N 3Å; L40-T43 PolarHBondContact O-OG1 3.15Å; L40-R44 HydrophobicContact CD1-CG 3.77Å; L40-R44 HydrophobicContact CG-CG 4.37Å; L40-R44 WeakPolarHBondContact O-CB 3.46Å; L40-R44 PolarHBondContact O-N 2.88Å; L40-V47 HydrophobicContact CD2-CG1 3.98Å; L40-T77 HydrophobicContact CD1-CG2 4.19Å; L40-T77 HydrophobicContact CD2-CG2 4.42Å; L40-C79 HydrophobicContact CD2-CB 3.92Å
41	L	94.8	Very high	95	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-26.8	179	-65.8	-177.2	0	0	0	113.4	L37 V47 Y111 G114	L37-L41 HydrophobicContact CD1-CD1 4.43Å; L37-L41 HydrophobicContact CD1-CG 4.24Å; L37-L41 HydrophobicContact CG-CD1 4.1Å; L37-L41 HydrophobicContact CG-CG 4.29Å; L37-L41 WeakPolarHBondContact O-CB 3.28Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.46Å; L37-L41 PolarHBondContact O-N 3.33Å; L41-V47 HydrophobicContact CD2-CB 3.83Å; L41-V47 HydrophobicContact CD2-CG1 4.03Å; L41-V47 HydrophobicContact CD2-CG2 3.97Å; L41-Y111 HydrophobicContact CD1-CD1 3.67Å; L41-Y111 HydrophobicContact CD1-CE1 4.01Å; L41-Y111 HydrophobicContact CD1-CG 4.05Å; L41-Y111 VanDerWaalsContact CD2-CB 3.45Å; L41-Y111 HydrophobicContact CD2-CD1 4.09Å; L41-Y111 HydrophobicContact CD2-CD2 4.03Å; L41-Y111 HydrophobicContact CD2-CG 3.59Å; L41-Y111 HydrophobicContact CG-CG 4.48Å; L41-G114 WeakPolarHBondContact O-CA 3.25Å
42	R	93.2	Very high	95.1	Very high	182 Å²	182	56.1 Å²	56.1	69%	0.687	27%	0.265	S	S	*	.	H	α-helix	trans	-79.2	-23.5	173.9	-79.1	174.3	170.6	-169.6	-7	114.2	K38 K39 L40	K38-R42 WeakPolarHBondContact O-CB 3.4Å; K38-R42 VanDerWaalsContact O-CG 3.27Å; K38-R42 WeakPolarHBondContact O-CG 3.37Å; K38-R42 PolarHBondContact O-N 2.84Å; K38-R42 VanDerWaalsContact O-N 3.12Å; K39-R42 PolarHBondContact O-N 3.15Å; L40-R42 PolarHBondContact O-N 3.41Å
43	T	93.1	Very high	95.2	Very high	92 Å²	92	58 Å²	58	56%	0.564	27%	0.27	S	S	*	.	H	α-helix	trans	-103.6	-17.3	-174.6	53.3	0	0	0	0	112.5	K39 L40	K39-T43 WeakPolarHBondContact O-CG2 3.23Å; K39-T43 PolarHBondContact O-N 3.47Å; K39-T43 VanDerWaalsContact O-N 3.17Å; K39-T43 PolarHBondContact O-OG1 3.2Å; L40-T43 PolarHBondContact O-N 3Å; L40-T43 PolarHBondContact O-OG1 3.15Å
44	R	94	Very high	95.2	Very high	125 Å²	125	57 Å²	57	47%	0.472	27%	0.267	S	S	.	.			trans	-125.9	127.7	-178.7	-58.9	-62.8	-172.3	153.8	1.9	109.6	L40 V47 T77	L40-R44 HydrophobicContact CD1-CG 3.77Å; L40-R44 HydrophobicContact CG-CG 4.37Å; L40-R44 WeakPolarHBondContact O-CB 3.46Å; L40-R44 PolarHBondContact O-N 2.88Å; R44-V47 HydrophobicContact CB-CG2 3.48Å; R44-V47 VanDerWaalsContact CB-CG2 3.48Å; R44-T77 WeakPolarHBondContact CD-OG1 3.43Å; R44-T77 HydrophobicContact CG-CG2 4.36Å
45	N	93.2	Very high	95.1	Very high	100 Å²	100	58.1 Å²	58.1	54%	0.535	27%	0.27	S	S	.	.	S	Bend	trans	-88.2	-9.1	-175	-66.5	-4.4	0	0	0	113.8	Q112 D113	N45-Q112 CarbonylContact O-C 3.55Å; N45-Q112 VanDerWaalsContact O-CA 3.27Å; N45-Q112 WeakPolarHBondContact O-CA 3.42Å; N45-D113 WeakPolarHBondContact CB-OD1 3.23Å; N45-D113 PolarHBondContact O-N 2.79Å
46	N	96.6	Very high	95	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.118	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	99.8	-175.7	-179.6	-2.2	0	0	0	107.9	Q75 T77 H110 L133	N46-Q75 PolarHBondContact ND2-O 2.89Å; N46-T77 PolarHBondContact O-N 3.04Å; N46-H110 PolarHBondContact OD1-NE2 3.22Å; N46-L133 PolarHBondContact ND2-O 2.94Å; N46-L133 WeakPolarHBondContact OD1-CD2 3.17Å
47	V	97.4	Very high	95	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.4	-171.2	-172.3	0	0	0	0	110.3	L40 L41 R44 V49 T77 H110 Y111	L40-V47 HydrophobicContact CD2-CG1 3.98Å; L41-V47 HydrophobicContact CD2-CB 3.83Å; L41-V47 HydrophobicContact CD2-CG1 4.03Å; L41-V47 HydrophobicContact CD2-CG2 3.97Å; R44-V47 HydrophobicContact CB-CG2 3.48Å; R44-V47 VanDerWaalsContact CB-CG2 3.48Å; V47-V49 HydrophobicContact CG1-CG2 4.03Å; V47-T77 CarbonylContact C-O 3.46Å; V47-T77 VanDerWaalsContact CA-O 3.3Å; V47-T77 WeakPolarHBondContact CA-O 3.38Å; V47-H110 WeakPolarHBondContact O-CA 2.97Å; V47-Y111 PolarHBondContact N-O 2.55Å; V47-Y111 PolarHBondContact O-N 2.84Å
48	L	98	Very high	94.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.2	168.6	-167.9	66.8	0	0	0	109.5	L65 T77 I78 C79 L108 H110 L129 L133	L48-L65 HydrophobicContact CD2-CD2 3.9Å; L48-T77 PolarHBondContact N-O 3.34Å; L48-I78 HydrophobicContact CB-CG1 4.33Å; L48-I78 VanDerWaalsContact O-CA 3.31Å; L48-I78 WeakPolarHBondContact O-CA 3.31Å; L48-C79 PolarHBondContact O-N 3.02Å; L48-L108 HydrophobicContact CD1-CB 4.41Å; L48-L108 HydrophobicContact CD1-CD2 4.44Å; L48-L108 HydrophobicContact CD2-CD2 4.13Å; L48-L108 HydrophobicContact CG-CD2 4.11Å; L48-H110 HydrophobicContact CD1-CB 4.27Å; L48-L129 HydrophobicContact CD2-CD2 3.84Å; L48-L133 HydrophobicContact CB-CD1 4.37Å; L48-L133 HydrophobicContact CB-CD2 3.94Å; L48-L133 HydrophobicContact CD2-CD1 4.11Å
49	V	98.1	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.2	179.7	-168.5	0	0	0	0	108.8	L37 V47 Y51 C79 V81 L108 F109 Y111	L37-V49 HydrophobicContact CD1-CG2 4.17Å; V47-V49 HydrophobicContact CG1-CG2 4.03Å; V49-Y51 HydrophobicContact CB-CD2 4.36Å; V49-Y51 HydrophobicContact CB-CE2 3.75Å; V49-Y51 HydrophobicContact CG1-CD1 4.42Å; V49-Y51 HydrophobicContact CG1-CD2 4.03Å; V49-Y51 HydrophobicContact CG1-CE1 3.94Å; V49-Y51 HydrophobicContact CG1-CE2 3.51Å; V49-Y51 HydrophobicContact CG1-CG 4.46Å; V49-Y51 VanDerWaalsContact CG1-CZ 3.46Å; V49-C79 WeakPolarHBondContact CA-O 3.2Å; V49-V81 HydrophobicContact CG1-CG2 3.91Å; V49-L108 WeakPolarHBondContact O-CA 3.28Å; V49-F109 PolarHBondContact N-O 2.88Å; V49-F109 PolarHBondContact O-N 2.91Å; V49-Y111 HydrophobicContact CB-CE2 4.09Å; V49-Y111 HydrophobicContact CG2-CD2 3.59Å; V49-Y111 HydrophobicContact CG2-CE2 3.46Å; V49-Y111 VanDerWaalsContact CG2-CE2 3.46Å
50	L	97.9	Very high	94.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.7	166.5	177.7	69.7	0	0	0	108.7	A58 H61 L62 L65 C79 W80 V81 I106 L108	L50-A58 HydrophobicContact CD2-CB 4.04Å; L50-H61 HydrophobicContact CD1-CB 4.24Å; L50-H61 HydrophobicContact CD2-CB 3.99Å; L50-L62 HydrophobicContact CD2-CD2 3.83Å; L50-L62 HydrophobicContact CD2-CG 3.95Å; L50-L65 HydrophobicContact CB-CD1 3.92Å; L50-L65 HydrophobicContact CD1-CD1 4.44Å; L50-L65 HydrophobicContact CD2-CD1 3.87Å; L50-L65 HydrophobicContact CG-CD1 4.29Å; L50-C79 PolarHBondContact N-O 3.25Å; L50-W80 HydrophobicContact CB-CB 4.45Å; L50-W80 HydrophobicContact CD2-CG 4.31Å; L50-W80 CarbonylContact O-C 3.57Å; L50-W80 WeakPolarHBondContact O-CA 3.36Å; L50-W80 VanDerWaalsContact O-CD1 3.3Å; L50-V81 PolarHBondContact O-N 2.77Å; L50-I106 HydrophobicContact CD1-CB 3.9Å; L50-I106 HydrophobicContact CD1-CD1 4.12Å; L50-I106 HydrophobicContact CD1-CG1 4.44Å; L50-I106 HydrophobicContact CD1-CG2 4.17Å; L50-L108 HydrophobicContact CB-CD2 3.96Å; L50-L108 HydrophobicContact CD1-CD2 3.76Å; L50-L108 HydrophobicContact CD1-CG 4.16Å; L50-L108 HydrophobicContact CG-CD2 4.49Å
51	Y	97.5	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.5	166.6	-63.3	-83.9	0	0	0	109	V49 V81 M95 V97 I106 E107 F109 Y111	V49-Y51 HydrophobicContact CB-CD2 4.36Å; V49-Y51 HydrophobicContact CB-CE2 3.75Å; V49-Y51 HydrophobicContact CG1-CD1 4.42Å; V49-Y51 HydrophobicContact CG1-CD2 4.03Å; V49-Y51 HydrophobicContact CG1-CE1 3.94Å; V49-Y51 HydrophobicContact CG1-CE2 3.51Å; V49-Y51 HydrophobicContact CG1-CG 4.46Å; V49-Y51 VanDerWaalsContact CG1-CZ 3.46Å; Y51-V81 WeakPolarHBondContact CA-O 3.48Å; Y51-V81 HydrophobicContact CD1-CB 3.59Å; Y51-V81 HydrophobicContact CD1-CG1 3.94Å; Y51-V81 HydrophobicContact CD1-CG2 4.08Å; Y51-V81 HydrophobicContact CE1-CB 3.81Å; Y51-V81 HydrophobicContact CE1-CG1 4.09Å; Y51-V81 HydrophobicContact CE1-CG2 3.79Å; Y51-M95 HydrophobicContact CE1-CB 4.4Å; Y51-M95 HydrophobicContact CE1-CG 4.48Å; Y51-M95 WeakPolarHBondContact OH-CG 3.4Å; Y51-V97 HydrophobicContact CD1-CG1 4.4Å; Y51-V97 HydrophobicContact CD1-CG2 3.56Å; Y51-V97 HydrophobicContact CD2-CG2 3.68Å; Y51-V97 HydrophobicContact CE1-CG2 3.74Å; Y51-V97 HydrophobicContact CE2-CG2 3.84Å; Y51-V97 HydrophobicContact CG-CB 4.42Å; Y51-V97 HydrophobicContact CG-CG1 4.01Å; Y51-V97 HydrophobicContact CG-CG2 3.53Å; Y51-I106 CarbonylContact O-C 3.56Å; Y51-I106 WeakPolarHBondContact O-CA 2.68Å; Y51-E107 PolarHBondContact N-O 2.85Å; Y51-E107 PolarHBondContact O-N 3.43Å; Y51-F109 HydrophobicContact CD2-CB 4.43Å; Y51-F109 HydrophobicContact CD2-CD2 4.07Å; Y51-F109 HydrophobicContact CD2-CG 4.14Å; Y51-F109 HydrophobicContact CE2-CB 3.93Å; Y51-F109 AromaticContact CE2-CD2 3.56Å; Y51-F109 HydrophobicContact CE2-CD2 3.56Å; Y51-F109 HydrophobicContact CE2-CE2 4.3Å; Y51-F109 AromaticContact CE2-CG 3.86Å; Y51-F109 HydrophobicContact CE2-CG 3.86Å; Y51-Y111 PolarHBondContact OH-OH 2.65Å
52	S	96.8	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.8	-179.5	70.6	0	0	0	0	112.9	S54 W80 V81 C83 L99	S52-S54 VanDerWaalsContact C-N 3.29Å; S52-S54 WeakPolarHBondContact CB-O 3.4Å; S52-S54 PolarHBondContact OG-O 3.27Å; S52-W80 PolarHBondContact OG-NE1 2.77Å; S52-V81 PolarHBondContact N-O 3.27Å; S52-C83 WeakPolarHBondContact O-CA 3Å; S52-C83 VanDerWaalsContact O-CB 3.25Å; S52-C83 WeakPolarHBondContact O-CB 3.37Å; S52-C83 PolarHBondContact O-N 2.97Å; S52-L99 VanDerWaalsContact C-CD1 3.49Å
53	K	95.2	Very high	94.7	Very high	66 Å²	66	45.4 Å²	45.4	29%	0.287	25%	0.245	S	C	.	.	S	Bend	trans	-69.9	-27.4	172.7	-79.7	-175.3	169.4	160.7	0	113.9	A57 G84 L99 P101 K102 K104 K105	K53-A57 HydrophobicContact CB-CB 4.33Å; K53-G84 WeakPolarHBondContact O-CA 3.25Å; K53-G84 PolarHBondContact O-N 3.01Å; K53-L99 WeakPolarHBondContact CE-O 3.18Å; K53-L99 HydrophobicContact CG-CB 3.86Å; K53-L99 HydrophobicContact CG-CD1 4.05Å; K53-L99 HydrophobicContact CG-CG 4.38Å; K53-L99 PolarHBondContact NZ-O 3.02Å; K53-L99 VanDerWaalsContact NZ-O 3.08Å; K53-P101 PolarHBondContact NZ-O 2.78Å; K53-K102 PolarHBondContact NZ-O 3.08Å; K53-K104 WeakPolarHBondContact CD-O 3.47Å; K53-K104 WeakPolarHBondContact CE-O 3.43Å; K53-K104 PolarHBondContact NZ-O 2.91Å; K53-K105 PolarHBondContact N-O 3.24Å
54	S	93.5	Very high	94.8	Very high	47 Å²	47	43.1 Å²	43.1	33%	0.329	23%	0.229	S	C	.	.	S	Bend	trans	-163.3	168.1	-179.1	61.9	0	0	0	0	109.4	S52 A56 A57 A58 D82	S52-S54 VanDerWaalsContact C-N 3.29Å; S52-S54 WeakPolarHBondContact CB-O 3.4Å; S52-S54 PolarHBondContact OG-O 3.27Å; S54-A56 VanDerWaalsContact C-N 3.32Å; S54-A56 PolarHBondContact O-N 3.19Å; S54-A57 PolarHBondContact O-N 3.15Å; S54-A57 PolarHBondContact OG-N 3.23Å; S54-A57 VanDerWaalsContact OG-N 3.16Å; S54-A58 PolarHBondContact O-N 2.79Å; S54-D82 VanDerWaalsContact CA-OD1 3.23Å; S54-D82 WeakPolarHBondContact CA-OD1 3.38Å
55	E	91.4	Very high	94.9	Very high	58 Å²	58	37.2 Å²	37.2	27%	0.271	21%	0.207	S	C	.	.	H	α-helix	trans	-55.7	-45.1	167.7	-175	163.2	-176.8	0	0	112.4	T22 R30 A57 A58 E59 W80 D82	T22-E55 PolarHBondContact OG1-OE1 2.97Å; R30-E55 IonicContact NH1-OE2 2.65Å; E55-A57 VanDerWaalsContact C-N 3.27Å; E55-A57 PolarHBondContact O-N 3.43Å; E55-A58 WeakPolarHBondContact O-CB 2.97Å; E55-A58 PolarHBondContact O-N 3.08Å; E55-E59 PolarHBondContact O-N 2.72Å; E55-E59 VanDerWaalsContact O-N 3.15Å; E55-W80 HydrophobicContact CB-CH2 3.92Å; E55-W80 HydrophobicContact CB-CZ2 4.16Å; E55-W80 HydrophobicContact CG-CH2 3.75Å; E55-W80 HydrophobicContact CG-CZ2 4.37Å; E55-D82 PolarHBondContact N-OD2 3.43Å
56	A	92.1	Very high	95	Very high	80 Å²	80	34 Å²	34	66%	0.661	19%	0.193	S	C	*	.	H	α-helix	trans	-61.4	-34	177.3	0	0	0	0	0	112.9	S54 A58	S54-A56 VanDerWaalsContact C-N 3.32Å; S54-A56 PolarHBondContact O-N 3.19Å; A56-A58 VanDerWaalsContact C-N 3.32Å
57	A	93.5	Very high	94.9	Very high	17 Å²	17	36.6 Å²	36.6	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-71.1	-27.3	175.5	0	0	0	0	0	113	K53 S54 E55 K105	K53-A57 HydrophobicContact CB-CB 4.33Å; S54-A57 PolarHBondContact O-N 3.15Å; S54-A57 PolarHBondContact OG-N 3.23Å; S54-A57 VanDerWaalsContact OG-N 3.16Å; E55-A57 VanDerWaalsContact C-N 3.27Å; E55-A57 PolarHBondContact O-N 3.43Å; A57-K105 HydrophobicContact CB-CB 4.18Å
58	A	94	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-85	-23.2	-178.1	0	0	0	0	0	113.5	L50 S54 E55 A56 S60 H61 L62 W80	L50-A58 HydrophobicContact CD2-CB 4.04Å; S54-A58 PolarHBondContact O-N 2.79Å; E55-A58 WeakPolarHBondContact O-CB 2.97Å; E55-A58 PolarHBondContact O-N 3.08Å; A56-A58 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.08Å; A58-H61 PolarHBondContact O-N 3.43Å; A58-L62 HydrophobicContact CB-CD1 3.61Å; A58-L62 HydrophobicContact CB-CG 3.97Å; A58-L62 WeakPolarHBondContact O-CG 3.4Å; A58-L62 PolarHBondContact O-N 3.24Å; A58-W80 HydrophobicContact CB-CZ2 3.9Å
59	E	92.2	Very high	94.7	Very high	78 Å²	78	37 Å²	37	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-50.8	-49.8	-164.9	-171.5	-171.8	164.3	0	0	114.2	T22 E55 H61 L62 K63	T22-E59 HydrophobicContact CG2-CG 3.98Å; E55-E59 PolarHBondContact O-N 2.72Å; E55-E59 VanDerWaalsContact O-N 3.15Å; E59-H61 VanDerWaalsContact C-N 3.35Å; E59-H61 PolarHBondContact O-N 3.3Å; E59-L62 PolarHBondContact O-N 3.03Å; E59-K63 WeakPolarHBondContact O-CG 3.39Å; E59-K63 PolarHBondContact O-N 3.31Å; E59-K63 VanDerWaalsContact O-N 3.15Å; E59-K63 WeakPolarHBondContact OE1-CE 3.41Å; E59-K63 IonicContact OE1-NZ 2.71Å; E59-K63 PolarHBondContact OE1-NZ 3.02Å
60	S	91.8	Very high	94.6	Very high	79 Å²	79	42.2 Å²	42.2	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-65.3	-38.6	-179.3	61.5	0	0	0	0	112.5	A58 L64	A58-S60 PolarHBondContact O-N 3.08Å; S60-L64 PolarHBondContact O-N 3.14Å
61	H	94.8	Very high	94.3	Very high	45 Å²	45	44.6 Å²	44.6	21%	0.208	26%	0.256	C	S	.	.	H	α-helix	trans	-71.9	-38.7	178.9	-68.5	76.9	0	0	0	111	L50 A58 E59 K63 L64 L65	L50-H61 HydrophobicContact CD1-CB 4.24Å; L50-H61 HydrophobicContact CD2-CB 3.99Å; A58-H61 PolarHBondContact O-N 3.43Å; E59-H61 VanDerWaalsContact C-N 3.35Å; E59-H61 PolarHBondContact O-N 3.3Å; H61-K63 VanDerWaalsContact C-N 3.32Å; H61-K63 PolarHBondContact O-N 2.97Å; H61-L64 PolarHBondContact O-N 3.2Å; H61-L65 VanDerWaalsContact O-CB 3.27Å; H61-L65 WeakPolarHBondContact O-CB 3.22Å; H61-L65 WeakPolarHBondContact O-CG 3.46Å; H61-L65 PolarHBondContact O-N 2.7Å
62	L	94.9	Very high	94.2	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-37.1	176.5	-72.4	171.6	0	0	0	112.2	V24 I28 L50 A58 E59 S66 W80	V24-L62 HydrophobicContact CG2-CD1 4.19Å; I28-L62 HydrophobicContact CD1-CD2 4.15Å; I28-L62 HydrophobicContact CG2-CD2 4.11Å; L50-L62 HydrophobicContact CD2-CD2 3.83Å; L50-L62 HydrophobicContact CD2-CG 3.95Å; A58-L62 HydrophobicContact CB-CD1 3.61Å; A58-L62 HydrophobicContact CB-CG 3.97Å; A58-L62 WeakPolarHBondContact O-CG 3.4Å; A58-L62 PolarHBondContact O-N 3.24Å; E59-L62 PolarHBondContact O-N 3.03Å; L62-S66 WeakPolarHBondContact O-CB 3.42Å; L62-S66 PolarHBondContact O-N 3.34Å; L62-W80 HydrophobicContact CD1-CD2 3.85Å; L62-W80 HydrophobicContact CD1-CE3 3.82Å; L62-W80 HydrophobicContact CD1-CG 4.41Å; L62-W80 HydrophobicContact CD1-CH2 4.34Å; L62-W80 HydrophobicContact CD1-CZ2 4.36Å; L62-W80 HydrophobicContact CD1-CZ3 4.06Å; L62-W80 HydrophobicContact CD2-CB 3.83Å; L62-W80 HydrophobicContact CD2-CD2 4.07Å; L62-W80 HydrophobicContact CD2-CE3 4.31Å; L62-W80 HydrophobicContact CD2-CG 3.83Å; L62-W80 HydrophobicContact CG-CD2 4.5Å
63	K	93.3	Very high	93.9	Very high	127 Å²	127	51.4 Å²	51.4	55%	0.552	29%	0.286	S	S	*	.	H	α-helix	trans	-60.4	-48.6	172.8	-71.9	173.1	-172.3	167.8	0	111.2	E59 H61 S66	E59-K63 WeakPolarHBondContact O-CG 3.39Å; E59-K63 PolarHBondContact O-N 3.31Å; E59-K63 VanDerWaalsContact O-N 3.15Å; E59-K63 WeakPolarHBondContact OE1-CE 3.41Å; E59-K63 IonicContact OE1-NZ 2.71Å; E59-K63 PolarHBondContact OE1-NZ 3.02Å; H61-K63 VanDerWaalsContact C-N 3.32Å; H61-K63 PolarHBondContact O-N 2.97Å; K63-S66 PolarHBondContact O-N 2.85Å
64	L	94.7	Very high	93.7	Very high	44 Å²	44	51.8 Å²	51.8	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-51.1	176.3	173.8	61.9	0	0	0	112	S60 H61 S66 T67 V68 V124 L126 L129	S60-L64 PolarHBondContact O-N 3.14Å; H61-L64 PolarHBondContact O-N 3.2Å; L64-S66 PolarHBondContact O-N 3.12Å; L64-T67 WeakPolarHBondContact O-CB 3.37Å; L64-T67 PolarHBondContact O-N 3.36Å; L64-V68 HydrophobicContact CD1-CG2 4.5Å; L64-V68 HydrophobicContact CG-CG2 4.43Å; L64-V68 WeakPolarHBondContact O-CG2 3.07Å; L64-V68 PolarHBondContact O-N 2.79Å; L64-V124 HydrophobicContact CD2-CG1 4.05Å; L64-V124 WeakPolarHBondContact CD2-O 3.12Å; L64-L126 HydrophobicContact CD1-CB 3.83Å; L64-L129 HydrophobicContact CD2-CD1 3.9Å; L64-L129 HydrophobicContact CG-CD1 4.29Å
65	L	96.6	Very high	93.6	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-26.4	-177.7	-71.7	171.4	0	0	0	112.2	I28 L48 L50 H61 T67 V68 A69 I78 L108 L129	I28-L65 HydrophobicContact CD1-CB 3.79Å; L48-L65 HydrophobicContact CD2-CD2 3.9Å; L50-L65 HydrophobicContact CB-CD1 3.92Å; L50-L65 HydrophobicContact CD1-CD1 4.44Å; L50-L65 HydrophobicContact CD2-CD1 3.87Å; L50-L65 HydrophobicContact CG-CD1 4.29Å; H61-L65 VanDerWaalsContact O-CB 3.27Å; H61-L65 WeakPolarHBondContact O-CB 3.22Å; H61-L65 WeakPolarHBondContact O-CG 3.46Å; H61-L65 PolarHBondContact O-N 2.7Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-V68 PolarHBondContact O-N 3.08Å; L65-A69 VanDerWaalsContact O-CB 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.19Å; L65-A69 PolarHBondContact O-N 2.86Å; L65-I78 HydrophobicContact CB-CD1 4.44Å; L65-I78 HydrophobicContact CB-CG2 4.24Å; L65-I78 HydrophobicContact CD1-CG2 4.23Å; L65-I78 HydrophobicContact CD2-CD1 4.06Å; L65-I78 HydrophobicContact CD2-CG2 4.25Å; L65-I78 HydrophobicContact CG-CG2 4.49Å; L65-L108 HydrophobicContact CD1-CD2 4.23Å; L65-L129 HydrophobicContact CD2-CD1 3.95Å
66	S	94.9	Very high	93.7	Very high	33 Å²	33	52.5 Å²	52.5	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-43.9	172.2	175.5	0	0	0	0	111.1	S25 L62 K63 L64 A69 Q70	S25-S66 WeakPolarHBondContact CB-OG 3.27Å; S25-S66 PolarHBondContact OG-OG 2.88Å; L62-S66 WeakPolarHBondContact O-CB 3.42Å; L62-S66 PolarHBondContact O-N 3.34Å; K63-S66 PolarHBondContact O-N 2.85Å; L64-S66 PolarHBondContact O-N 3.12Å; S66-A69 PolarHBondContact O-N 3.32Å; S66-Q70 PolarHBondContact O-N 3.33Å; S66-Q70 VanDerWaalsContact O-N 3.12Å
67	T	94.9	Very high	93.9	Very high	76 Å²	76	49.9 Å²	49.9	47%	0.466	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-39.7	175.7	-50.9	0	0	0	0	111.1	L64 L65 Q70 A71 L126	L64-T67 WeakPolarHBondContact O-CB 3.37Å; L64-T67 PolarHBondContact O-N 3.36Å; L65-T67 VanDerWaalsContact C-N 3.34Å; T67-Q70 PolarHBondContact O-N 3.17Å; T67-A71 PolarHBondContact O-N 3.5Å; T67-A71 VanDerWaalsContact O-N 3.08Å; T67-L126 HydrophobicContact CG2-CD1 3.76Å; T67-L126 HydrophobicContact CG2-CD2 3.88Å; T67-L126 HydrophobicContact CG2-CG 4.5Å
68	V	96.3	Very high	94	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-50.9	173.9	-179.9	0	0	0	0	110.4	L64 L65 Q70 A71 V72 I78 L126 L129 V130 L133	L64-V68 HydrophobicContact CD1-CG2 4.5Å; L64-V68 HydrophobicContact CG-CG2 4.43Å; L64-V68 WeakPolarHBondContact O-CG2 3.07Å; L64-V68 PolarHBondContact O-N 2.79Å; L65-V68 PolarHBondContact O-N 3.08Å; V68-Q70 PolarHBondContact O-N 3.41Å; V68-A71 WeakPolarHBondContact O-CA 3.36Å; V68-A71 WeakPolarHBondContact O-CB 3.44Å; V68-A71 PolarHBondContact O-N 3.12Å; V68-V72 HydrophobicContact CG1-CG1 4.47Å; V68-V72 WeakPolarHBondContact O-CG2 3.44Å; V68-V72 PolarHBondContact O-N 3.44Å; V68-I78 HydrophobicContact CB-CD1 3.91Å; V68-I78 HydrophobicContact CG1-CD1 3.67Å; V68-L126 HydrophobicContact CB-CD1 4.36Å; V68-L126 HydrophobicContact CG2-CD1 3.65Å; V68-L129 HydrophobicContact CG1-CB 3.92Å; V68-L129 HydrophobicContact CG2-CB 3.79Å; V68-L129 HydrophobicContact CG2-CD1 3.94Å; V68-V130 HydrophobicContact CB-CG2 4.43Å; V68-V130 HydrophobicContact CG1-CG2 4.01Å; V68-V130 HydrophobicContact CG2-CG2 4.48Å; V68-L133 HydrophobicContact CG1-CD1 3.74Å
69	A	95.3	Very high	94.2	Very high	8 Å²	8	49.2 Å²	49.2	7%	0.066	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-38.3	-179	0	0	0	0	0	112.1	L27 I28 L65 S66 K73 I78	L27-A69 HydrophobicContact CB-CB 3.94Å; L27-A69 HydrophobicContact CD1-CB 4.4Å; I28-A69 HydrophobicContact CG1-CB 4.44Å; L65-A69 VanDerWaalsContact O-CB 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.19Å; L65-A69 PolarHBondContact O-N 2.86Å; S66-A69 PolarHBondContact O-N 3.32Å; A69-K73 PolarHBondContact O-N 3.19Å; A69-I78 HydrophobicContact CB-CD1 3.96Å; A69-I78 HydrophobicContact CB-CG1 4.33Å
70	Q	94.1	Very high	94.4	Very high	111 Å²	111	45.6 Å²	45.6	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-66.7	-41.6	174.3	-177.1	59.2	55.5	0	0	112.1	L27 S66 T67 V68	L27-Q70 HydrophobicContact CD1-CB 4.02Å; S66-Q70 PolarHBondContact O-N 3.33Å; S66-Q70 VanDerWaalsContact O-N 3.12Å; T67-Q70 PolarHBondContact O-N 3.17Å; V68-Q70 PolarHBondContact O-N 3.41Å
71	A	93.1	Very high	94.7	Very high	50 Å²	50	41.8 Å²	41.8	41%	0.413	24%	0.236	S	C	.	.	H	α-helix	trans	-72.1	-25.3	-179.5	0	0	0	0	0	113.8	T67 V68 V130	T67-A71 PolarHBondContact O-N 3.5Å; T67-A71 VanDerWaalsContact O-N 3.08Å; V68-A71 WeakPolarHBondContact O-CA 3.36Å; V68-A71 WeakPolarHBondContact O-CB 3.44Å; V68-A71 PolarHBondContact O-N 3.12Å; A71-V130 HydrophobicContact CB-CG1 4.45Å; A71-V130 HydrophobicContact CB-CG2 3.72Å
72	V	94.4	Very high	94.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	17.5	178.6	-52.8	0	0	0	0	113.1	V68 G74 Q75 G76 V130 L133 K134	V68-V72 HydrophobicContact CG1-CG1 4.47Å; V68-V72 WeakPolarHBondContact O-CG2 3.44Å; V68-V72 PolarHBondContact O-N 3.44Å; V72-G74 PolarHBondContact O-N 3.37Å; V72-G74 VanDerWaalsContact O-N 3.12Å; V72-Q75 WeakPolarHBondContact O-CA 3.17Å; V72-Q75 PolarHBondContact O-N 2.95Å; V72-G76 PolarHBondContact O-N 3.12Å; V72-V130 HydrophobicContact CG1-CB 4.34Å; V72-V130 HydrophobicContact CG1-CG1 4.11Å; V72-V130 HydrophobicContact CG1-CG2 4.19Å; V72-L133 HydrophobicContact CB-CB 4.43Å; V72-L133 HydrophobicContact CG1-CB 4Å; V72-L133 HydrophobicContact CG2-CB 4.4Å; V72-L133 HydrophobicContact CG2-CD1 4.04Å; V72-K134 HydrophobicContact CG1-CG 4.44Å
73	K	91.8	Very high	94.7	Very high	142 Å²	142	40.4 Å²	40.4	62%	0.617	23%	0.232	S	C	*	.	B	Isolated β-bridge	trans	-53.4	120.7	-178.6	-173.3	177.8	-179.7	-179.9	0	110.6	A69 Q75	A69-K73 PolarHBondContact O-N 3.19Å; K73-Q75 VanDerWaalsContact C-N 3.33Å
74	G	89.6	Confident	94.6	Very high	74 Å²	74	36 Å²	36	76%	0.763	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	-9.3	-177.4	0	0	0	0	0	115.2	V72	V72-G74 PolarHBondContact O-N 3.37Å; V72-G74 VanDerWaalsContact O-N 3.12Å
75	Q	91.3	Very high	94.5	Very high	109 Å²	109	35.7 Å²	35.7	51%	0.509	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-34.2	179.9	-59.5	-179.9	24.2	0	0	112.2	N46 V72 K73	N46-Q75 PolarHBondContact ND2-O 2.89Å; V72-Q75 WeakPolarHBondContact O-CA 3.17Å; V72-Q75 PolarHBondContact O-N 2.95Å; K73-Q75 VanDerWaalsContact C-N 3.33Å
76	G	93.8	Very high	94.2	Very high	11 Å²	11	40.6 Å²	40.6	11%	0.113	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-138.8	158.5	175.5	0	0	0	0	0	111.9	V72	V72-G76 PolarHBondContact O-N 3.12Å
77	T	95.8	Very high	94.1	Very high	26 Å²	26	45.5 Å²	45.5	16%	0.16	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.4	173.9	-52.9	0	0	0	0	109.1	L40 R44 N46 V47 L48	L40-T77 HydrophobicContact CD1-CG2 4.19Å; L40-T77 HydrophobicContact CD2-CG2 4.42Å; R44-T77 WeakPolarHBondContact CD-OG1 3.43Å; R44-T77 HydrophobicContact CG-CG2 4.36Å; N46-T77 PolarHBondContact O-N 3.04Å; V47-T77 CarbonylContact C-O 3.46Å; V47-T77 VanDerWaalsContact CA-O 3.3Å; V47-T77 WeakPolarHBondContact CA-O 3.38Å; L48-T77 PolarHBondContact N-O 3.34Å
78	I	97.2	Very high	93.9	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.3	177.5	-51.3	-175.9	0	0	0	108.4	I28 L48 L65 V68 A69 L133	I28-I78 HydrophobicContact CG1-CB 4.48Å; I28-I78 HydrophobicContact CG1-CG2 4.44Å; L48-I78 HydrophobicContact CB-CG1 4.33Å; L48-I78 VanDerWaalsContact O-CA 3.31Å; L48-I78 WeakPolarHBondContact O-CA 3.31Å; L65-I78 HydrophobicContact CB-CD1 4.44Å; L65-I78 HydrophobicContact CB-CG2 4.24Å; L65-I78 HydrophobicContact CD1-CG2 4.23Å; L65-I78 HydrophobicContact CD2-CD1 4.06Å; L65-I78 HydrophobicContact CD2-CG2 4.25Å; L65-I78 HydrophobicContact CG-CG2 4.49Å; V68-I78 HydrophobicContact CB-CD1 3.91Å; V68-I78 HydrophobicContact CG1-CD1 3.67Å; A69-I78 HydrophobicContact CB-CD1 3.96Å; A69-I78 HydrophobicContact CB-CG1 4.33Å; I78-L133 HydrophobicContact CD1-CD1 3.92Å; I78-L133 HydrophobicContact CG1-CD1 4.14Å
79	C	96.8	Very high	93.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	167.2	172.1	67.3	0	0	0	0	110.9	E29 I31 L40 L48 V49 L50	E29-C79 HydrophobicContact CB-CB 4.47Å; E29-C79 WeakPolarHBondContact O-CA 3.4Å; E29-C79 VanDerWaalsContact O-CB 3.26Å; E29-C79 WeakPolarHBondContact O-CB 3.49Å; I31-C79 HydrophobicContact CD1-CB 3.85Å; I31-C79 HydrophobicContact CG1-CB 4.34Å; L40-C79 HydrophobicContact CD2-CB 3.92Å; L48-C79 PolarHBondContact O-N 3.02Å; V49-C79 WeakPolarHBondContact CA-O 3.2Å; L50-C79 PolarHBondContact N-O 3.25Å
80	W	97.3	Very high	93.5	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.9	-176	168.4	50.5	0	0	0	111.4	V24 I28 E29 R30 I31 L50 S52 E55 A58 L62 D82	V24-W80 HydrophobicContact CG2-CE3 4.16Å; V24-W80 HydrophobicContact CG2-CZ3 3.92Å; I28-W80 HydrophobicContact CG2-CB 3.98Å; E29-W80 PolarHBondContact O-N 3.01Å; R30-W80 CarbonylContact C-O 3.59Å; R30-W80 WeakPolarHBondContact CA-O 3.41Å; R30-W80 HydrophobicContact CB-CE3 4.12Å; R30-W80 HydrophobicContact CB-CZ3 4.46Å; R30-W80 HydrophobicContact CG-CE3 4.03Å; R30-W80 HydrophobicContact CG-CZ3 4.15Å; I31-W80 PolarHBondContact N-O 2.77Å; L50-W80 HydrophobicContact CB-CB 4.45Å; L50-W80 HydrophobicContact CD2-CG 4.31Å; L50-W80 CarbonylContact O-C 3.57Å; L50-W80 WeakPolarHBondContact O-CA 3.36Å; L50-W80 VanDerWaalsContact O-CD1 3.3Å; S52-W80 PolarHBondContact OG-NE1 2.77Å; E55-W80 HydrophobicContact CB-CH2 3.92Å; E55-W80 HydrophobicContact CB-CZ2 4.16Å; E55-W80 HydrophobicContact CG-CH2 3.75Å; E55-W80 HydrophobicContact CG-CZ2 4.37Å; A58-W80 HydrophobicContact CB-CZ2 3.9Å; L62-W80 HydrophobicContact CD1-CD2 3.85Å; L62-W80 HydrophobicContact CD1-CE3 3.82Å; L62-W80 HydrophobicContact CD1-CG 4.41Å; L62-W80 HydrophobicContact CD1-CH2 4.34Å; L62-W80 HydrophobicContact CD1-CZ2 4.36Å; L62-W80 HydrophobicContact CD1-CZ3 4.06Å; L62-W80 HydrophobicContact CD2-CB 3.83Å; L62-W80 HydrophobicContact CD2-CD2 4.07Å; L62-W80 HydrophobicContact CD2-CE3 4.31Å; L62-W80 HydrophobicContact CD2-CG 3.83Å; L62-W80 HydrophobicContact CG-CD2 4.5Å; W80-D82 HydrophobicContact CH2-CB 4.34Å; W80-D82 HydrophobicContact CZ2-CB 3.66Å
81	V	97.1	Very high	93.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.2	175.7	-176.9	0	0	0	0	108.5	I31 V49 L50 Y51 S52 C83 L91 C92	I31-V81 HydrophobicContact CB-CG2 4.32Å; V49-V81 HydrophobicContact CG1-CG2 3.91Å; L50-V81 PolarHBondContact O-N 2.77Å; Y51-V81 WeakPolarHBondContact CA-O 3.48Å; Y51-V81 HydrophobicContact CD1-CB 3.59Å; Y51-V81 HydrophobicContact CD1-CG1 3.94Å; Y51-V81 HydrophobicContact CD1-CG2 4.08Å; Y51-V81 HydrophobicContact CE1-CB 3.81Å; Y51-V81 HydrophobicContact CE1-CG1 4.09Å; Y51-V81 HydrophobicContact CE1-CG2 3.79Å; S52-V81 PolarHBondContact N-O 3.27Å; V81-C83 PolarHBondContact O-N 3.29Å; V81-L91 HydrophobicContact CG1-CD2 3.85Å; V81-L91 HydrophobicContact CG1-CG 4.25Å; V81-L91 HydrophobicContact CG2-CD2 3.95Å; V81-C92 VanDerWaalsContact CG1-SG 3.56Å
82	D	95.8	Very high	93.6	Very high	14 Å²	14	48.1 Å²	48.1	8%	0.075	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	107.3	171.5	-176.2	-19	0	0	0	109.3	S54 E55 W80 G84 D85 S88	S54-D82 VanDerWaalsContact CA-OD1 3.23Å; S54-D82 WeakPolarHBondContact CA-OD1 3.38Å; E55-D82 PolarHBondContact N-OD2 3.43Å; W80-D82 HydrophobicContact CH2-CB 4.34Å; W80-D82 HydrophobicContact CZ2-CB 3.66Å; D82-G84 VanDerWaalsContact C-N 3.3Å; D82-G84 PolarHBondContact O-N 2.95Å; D82-G84 WeakPolarHBondContact OD1-CA 3.32Å; D82-G84 PolarHBondContact OD1-N 2.87Å; D82-D85 HydrophobicContact CB-CB 4.18Å; D82-D85 PolarHBondContact OD1-N 3.11Å; D82-S88 VanDerWaalsContact O-CB 3.31Å; D82-S88 WeakPolarHBondContact O-CB 3.36Å; D82-S88 PolarHBondContact O-OG 2.82Å
83	C	95.1	Very high	93.5	Very high	18 Å²	18	55.8 Å²	55.8	12%	0.122	29%	0.293	C	S	.	.	S	Bend	trans	-77.9	-10.4	-179.4	-60.1	0	0	0	0	114.9	S52 V81 C92 L99	S52-C83 WeakPolarHBondContact O-CA 3Å; S52-C83 VanDerWaalsContact O-CB 3.25Å; S52-C83 WeakPolarHBondContact O-CB 3.37Å; S52-C83 PolarHBondContact O-N 2.97Å; V81-C83 PolarHBondContact O-N 3.29Å; C83-C92 WeakPolarHBondContact CA-SG 3.5Å; C83-C92 HydrophobicContact CB-CB 3.72Å; C83-C92 WeakPolarHBondContact CB-SG 3.48Å; C83-C92 WeakPolarHBondContact SG-CB 3.01Å; C83-C92 CovalentContact SG-SG 2.03Å; C83-C92 PolarHBondContact SG-SG 3.31Å; C83-L99 HydrophobicContact CB-CD1 3.97Å
84	G	91.4	Very high	93.6	Very high	34 Å²	34	56 Å²	56	35%	0.351	30%	0.295	S	S	.	.	S	Bend	trans	-74.5	-32.3	173.6	0	0	0	0	0	112.2	K53 D82 R89	K53-G84 WeakPolarHBondContact O-CA 3.25Å; K53-G84 PolarHBondContact O-N 3.01Å; D82-G84 VanDerWaalsContact C-N 3.3Å; D82-G84 PolarHBondContact O-N 2.95Å; D82-G84 WeakPolarHBondContact OD1-CA 3.32Å; D82-G84 PolarHBondContact OD1-N 2.87Å; G84-R89 PolarHBondContact O-NH2 3.03Å; G84-R89 VanDerWaalsContact O-NH2 3.08Å
85	D	92.3	Very high	93.8	Very high	38 Å²	38	54.8 Å²	54.8	20%	0.203	27%	0.269	C	S	.	.	S	Bend	trans	-63.2	142.2	179.4	-174	19.5	0	0	0	112.2	R30 D82 E87 S88 R89	R30-D85 IonicContact NH2-OD2 3.97Å; R30-D85 PolarHBondContact NH2-OD2 3.38Å; D82-D85 HydrophobicContact CB-CB 4.18Å; D82-D85 PolarHBondContact OD1-N 3.11Å; D85-E87 VanDerWaalsContact C-N 3.32Å; D85-E87 PolarHBondContact O-N 2.82Å; D85-S88 WeakPolarHBondContact CB-OG 3.46Å; D85-S88 PolarHBondContact O-OG 2.46Å; D85-R89 PolarHBondContact O-N 2.85Å
86	T	91.1	Very high	93.9	Very high	104 Å²	104	58.5 Å²	58.5	64%	0.638	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-31.3	-172	48.6	0	0	0	0	111.9
87	E	90.9	Very high	93.9	Very high	137 Å²	137	59 Å²	59	64%	0.64	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-42.3	-178.2	-60.1	-171.5	162.6	0	0	112.4	D85	D85-E87 VanDerWaalsContact C-N 3.32Å; D85-E87 PolarHBondContact O-N 2.82Å
88	S	92.2	Very high	93.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-12.6	-175.7	54.2	0	0	0	0	114.3	S32 D82 D85 K90 L91 C92	S32-S88 WeakPolarHBondContact O-CA 3.44Å; D82-S88 VanDerWaalsContact O-CB 3.31Å; D82-S88 WeakPolarHBondContact O-CB 3.36Å; D82-S88 PolarHBondContact O-OG 2.82Å; D85-S88 WeakPolarHBondContact CB-OG 3.46Å; D85-S88 PolarHBondContact O-OG 2.46Å; S88-K90 PolarHBondContact O-N 3.48Å; S88-K90 VanDerWaalsContact O-N 3.13Å; S88-L91 WeakPolarHBondContact O-CA 3.18Å; S88-L91 WeakPolarHBondContact O-CB 3.14Å; S88-L91 PolarHBondContact O-N 2.75Å; S88-C92 PolarHBondContact O-N 3.43Å
89	R	90.5	Very high	93.2	Very high	120 Å²	120	62.4 Å²	62.4	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-54.9	-36.3	179.8	-168.2	176.2	-62.2	162.3	3.7	113.2	G84 D85 K93	G84-R89 PolarHBondContact O-NH2 3.03Å; G84-R89 VanDerWaalsContact O-NH2 3.08Å; D85-R89 PolarHBondContact O-N 2.85Å; R89-K93 WeakPolarHBondContact O-CG 3.19Å; R89-K93 PolarHBondContact O-N 3.15Å
90	K	92.6	Very high	92.6	Very high	171 Å²	171	66.7 Å²	66.7	74%	0.743	33%	0.332	S	S	*	.	H	α-helix	trans	-66.7	-37.7	174.9	-71.4	-179.3	-177.5	172.2	0	111.8	S88 K94	S88-K90 PolarHBondContact O-N 3.48Å; S88-K90 VanDerWaalsContact O-N 3.13Å; K90-K94 WeakPolarHBondContact O-CB 3.49Å; K90-K94 PolarHBondContact O-N 2.76Å; K90-K94 VanDerWaalsContact O-N 3.12Å
91	L	94.1	Very high	92.3	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-53.3	175.2	175.8	53.7	0	0	0	110.7	I31 P34 L37 V81 S88 K93 K94 M95	I31-L91 HydrophobicContact CG2-CD2 4.02Å; P34-L91 HydrophobicContact CB-CD1 3.94Å; P34-L91 HydrophobicContact CG-CB 4.05Å; P34-L91 HydrophobicContact CG-CD1 4.03Å; L37-L91 HydrophobicContact CB-CD1 4.26Å; L37-L91 HydrophobicContact CB-CD2 4.43Å; L37-L91 HydrophobicContact CD2-CD1 3.74Å; L37-L91 HydrophobicContact CD2-CD2 4.44Å; L37-L91 HydrophobicContact CD2-CG 4.45Å; V81-L91 HydrophobicContact CG1-CD2 3.85Å; V81-L91 HydrophobicContact CG1-CG 4.25Å; V81-L91 HydrophobicContact CG2-CD2 3.95Å; S88-L91 WeakPolarHBondContact O-CA 3.18Å; S88-L91 WeakPolarHBondContact O-CB 3.14Å; S88-L91 PolarHBondContact O-N 2.75Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-K93 PolarHBondContact O-N 3.18Å; L91-K94 WeakPolarHBondContact O-CB 3.48Å; L91-K94 PolarHBondContact O-N 2.03Å; L91-M95 HydrophobicContact CD1-CG 3.79Å; L91-M95 HydrophobicContact CD1-SD 4.32Å; L91-M95 WeakPolarHBondContact O-CG 3.27Å; L91-M95 PolarHBondContact O-N 2.87Å
92	C	94.6	Very high	91.5	Very high	8 Å²	8	78.4 Å²	78.4	5%	0.054	39%	0.389	C	S	.	.	H	α-helix	trans	-59.9	-41.9	-178.6	-61	0	0	0	0	113	V81 C83 S88 K94 M95 K96 V97	V81-C92 VanDerWaalsContact CG1-SG 3.56Å; C83-C92 WeakPolarHBondContact CA-SG 3.5Å; C83-C92 HydrophobicContact CB-CB 3.72Å; C83-C92 WeakPolarHBondContact CB-SG 3.48Å; C83-C92 WeakPolarHBondContact SG-CB 3.01Å; C83-C92 CovalentContact SG-SG 2.03Å; C83-C92 PolarHBondContact SG-SG 3.31Å; S88-C92 PolarHBondContact O-N 3.43Å; C92-K94 VanDerWaalsContact C-N 3.32Å; C92-K94 PolarHBondContact O-N 3.13Å; C92-M95 PolarHBondContact O-N 3.47Å; C92-K96 PolarHBondContact O-N 3.43Å; C92-K96 VanDerWaalsContact O-N 3.15Å; C92-V97 HydrophobicContact CB-CB 4.25Å; C92-V97 PolarHBondContact O-N 2.63Å; C92-V97 VanDerWaalsContact O-N 3.16Å
93	K	93	Very high	90.9	Very high	160 Å²	160	85 Å²	85	70%	0.696	42%	0.424	S	S	*	.	H	α-helix	trans	-59.3	-42	173.5	-74.5	-175.9	178.6	-171.8	0	112.3	R89 L91 M95 K96	R89-K93 WeakPolarHBondContact O-CG 3.19Å; R89-K93 PolarHBondContact O-N 3.15Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-K93 PolarHBondContact O-N 3.18Å; K93-M95 VanDerWaalsContact C-N 3.34Å; K93-K96 PolarHBondContact O-N 3.21Å
94	K	93.5	Very high	90.6	Very high	148 Å²	148	87.5 Å²	87.5	64%	0.643	43%	0.433	S	S	*	.	H	α-helix	trans	-68.1	-34.9	179.8	-172.4	174.4	-177.5	174.6	0	112.4	P34 K90 L91 C92 K96	P34-K94 HydrophobicContact CB-CD 4.29Å; K90-K94 WeakPolarHBondContact O-CB 3.49Å; K90-K94 PolarHBondContact O-N 2.76Å; K90-K94 VanDerWaalsContact O-N 3.12Å; L91-K94 WeakPolarHBondContact O-CB 3.48Å; L91-K94 PolarHBondContact O-N 2.03Å; C92-K94 VanDerWaalsContact C-N 3.32Å; C92-K94 PolarHBondContact O-N 3.13Å; K94-K96 PolarHBondContact O-N 2.92Å
95	M	93.4	Very high	90.6	Very high	47 Å²	47	92.3 Å²	92.3	23%	0.232	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.7	177.1	-55.2	-47.7	-66.5	0	0	113.1	L37 Y51 L91 C92 K93 V97 Y111	L37-M95 HydrophobicContact CD2-CE 4.1Å; L37-M95 HydrophobicContact CD2-CG 3.98Å; L37-M95 HydrophobicContact CD2-SD 4.09Å; Y51-M95 HydrophobicContact CE1-CB 4.4Å; Y51-M95 HydrophobicContact CE1-CG 4.48Å; Y51-M95 WeakPolarHBondContact OH-CG 3.4Å; L91-M95 HydrophobicContact CD1-CG 3.79Å; L91-M95 HydrophobicContact CD1-SD 4.32Å; L91-M95 WeakPolarHBondContact O-CG 3.27Å; L91-M95 PolarHBondContact O-N 2.87Å; C92-M95 PolarHBondContact O-N 3.47Å; K93-M95 VanDerWaalsContact C-N 3.34Å; M95-V97 HydrophobicContact CB-CG2 4.03Å; M95-V97 PolarHBondContact O-N 3.5Å; M95-Y111 HydrophobicContact CE-CE1 3.58Å; M95-Y111 WeakPolarHBondContact CE-OH 3.15Å
96	K	94	Very high	90.7	Very high	187 Å²	187	91.8 Å²	91.8	81%	0.813	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	34.2	178.8	-55.5	-177.8	179.3	-177.8	0	113.8	C92 K93 K94	C92-K96 PolarHBondContact O-N 3.43Å; C92-K96 VanDerWaalsContact O-N 3.15Å; K93-K96 PolarHBondContact O-N 3.21Å; K94-K96 PolarHBondContact O-N 2.92Å
97	V	92.6	Very high	91	Very high	22 Å²	22	87.2 Å²	87.2	13%	0.133	41%	0.413	C	S	.	.			trans	-71.3	126.3	176.4	173	0	0	0	0	109.2	Y51 C92 M95 L99 E107 F109	Y51-V97 HydrophobicContact CD1-CG1 4.4Å; Y51-V97 HydrophobicContact CD1-CG2 3.56Å; Y51-V97 HydrophobicContact CD2-CG2 3.68Å; Y51-V97 HydrophobicContact CE1-CG2 3.74Å; Y51-V97 HydrophobicContact CE2-CG2 3.84Å; Y51-V97 HydrophobicContact CG-CB 4.42Å; Y51-V97 HydrophobicContact CG-CG1 4.01Å; Y51-V97 HydrophobicContact CG-CG2 3.53Å; C92-V97 HydrophobicContact CB-CB 4.25Å; C92-V97 PolarHBondContact O-N 2.63Å; C92-V97 VanDerWaalsContact O-N 3.16Å; M95-V97 HydrophobicContact CB-CG2 4.03Å; M95-V97 PolarHBondContact O-N 3.5Å; V97-L99 HydrophobicContact CG1-CD1 3.97Å; V97-L99 HydrophobicContact CG1-CG 3.86Å; V97-E107 WeakPolarHBondContact CG1-OE2 3.26Å; V97-F109 HydrophobicContact CG2-CD2 4.36Å; V97-F109 HydrophobicContact CG2-CE2 3.77Å; V97-F109 HydrophobicContact CG2-CZ 4.28Å
98	D	89.5	Confident	91.3	Very high	81 Å²	81	81.1 Å²	81.1	43%	0.433	38%	0.384	S	S	.	.			trans	-113.5	86.8	-178.7	-175.1	17	0	0	0	112.8	S100 E107	D98-S100 VanDerWaalsContact C-N 3.32Å; D98-S100 WeakPolarHBondContact OD1-CB 3.39Å; D98-S100 PolarHBondContact OD1-N 2.66Å; D98-S100 PolarHBondContact OD1-OG 2.75Å; D98-S100 PolarHBondContact OD2-OG 2.92Å; D98-E107 PolarHBondContact N-OE1 3.19Å; D98-E107 PolarHBondContact N-OE2 2.85Å
99	L	90	Very high	91.5	Very high	20 Å²	20	81.4 Å²	81.4	11%	0.105	39%	0.385	C	S	.	.			trans	-93.1	17.9	172.6	-63	169.8	0	0	0	112.2	S52 K53 C83 V97 P101 K104 E107	S52-L99 VanDerWaalsContact C-CD1 3.49Å; K53-L99 WeakPolarHBondContact CE-O 3.18Å; K53-L99 HydrophobicContact CG-CB 3.86Å; K53-L99 HydrophobicContact CG-CD1 4.05Å; K53-L99 HydrophobicContact CG-CG 4.38Å; K53-L99 PolarHBondContact NZ-O 3.02Å; K53-L99 VanDerWaalsContact NZ-O 3.08Å; C83-L99 HydrophobicContact CB-CD1 3.97Å; V97-L99 HydrophobicContact CG1-CD1 3.97Å; V97-L99 HydrophobicContact CG1-CG 3.86Å; L99-P101 VanDerWaalsContact C-CD 3.43Å; L99-K104 HydrophobicContact CD2-CG 4.38Å; L99-E107 HydrophobicContact CD2-CB 4.46Å; L99-E107 HydrophobicContact CD2-CG 4.01Å
100	S	84.7	Confident	91.9	Very high	90 Å²	90	75.7 Å²	75.7	63%	0.629	36%	0.364	S	S	*	.			trans	-65.1	-34	180	69	0	0	0	0	115.2	D98 K102	D98-S100 VanDerWaalsContact C-N 3.32Å; D98-S100 WeakPolarHBondContact OD1-CB 3.39Å; D98-S100 PolarHBondContact OD1-N 2.66Å; D98-S100 PolarHBondContact OD1-OG 2.75Å; D98-S100 PolarHBondContact OD2-OG 2.92Å; S100-K102 PolarHBondContact O-N 3.32Å
101	P	89.1	Confident	92.1	Very high	58 Å²	58	67.9 Å²	67.9	38%	0.377	33%	0.33	S	S	.	.	S	Bend	trans	-62.2	136.7	179.2	-21.7	33.7	0	0	0	111.2	K53 L99 D103 K104	K53-P101 PolarHBondContact NZ-O 2.78Å; L99-P101 VanDerWaalsContact C-CD 3.43Å; P101-D103 VanDerWaalsContact C-N 3.25Å; P101-D103 PolarHBondContact O-N 3.45Å; P101-K104 HydrophobicContact CB-CB 3.94Å; P101-K104 HydrophobicContact CG-CB 4.22Å; P101-K104 HydrophobicContact CG-CD 4.38Å; P101-K104 PolarHBondContact O-N 3.03Å; P101-K104 VanDerWaalsContact O-N 3.15Å
102	K	80.4	Confident	92.2	Very high	188 Å²	188	69.6 Å²	69.6	82%	0.817	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-39.6	-175.3	-75.3	-174.7	178.3	178.6	0	112.4	K53 S100	K53-K102 PolarHBondContact NZ-O 3.08Å; S100-K102 PolarHBondContact O-N 3.32Å
103	D	84.9	Confident	92.1	Very high	153 Å²	153	73.9 Å²	73.9	82%	0.818	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-17.5	-176.4	-54	-50.3	0	0	0	113.6	P101 K105	P101-D103 VanDerWaalsContact C-N 3.25Å; P101-D103 PolarHBondContact O-N 3.45Å; D103-K105 PolarHBondContact O-N 2.96Å
104	K	86.8	Confident	92.1	Very high	70 Å²	70	68 Å²	68	30%	0.304	35%	0.345	S	S	.	.			trans	-82.9	104.4	179.8	-157.6	173.8	-164.8	-173.1	0	109.6	K53 L99 P101 E107	K53-K104 WeakPolarHBondContact CD-O 3.47Å; K53-K104 WeakPolarHBondContact CE-O 3.43Å; K53-K104 PolarHBondContact NZ-O 2.91Å; L99-K104 HydrophobicContact CD2-CG 4.38Å; P101-K104 HydrophobicContact CB-CB 3.94Å; P101-K104 HydrophobicContact CG-CB 4.22Å; P101-K104 HydrophobicContact CG-CD 4.38Å; P101-K104 PolarHBondContact O-N 3.03Å; P101-K104 VanDerWaalsContact O-N 3.15Å; K104-E107 HydrophobicContact CD-CG 4.25Å; K104-E107 VanDerWaalsContact CE-CG 3.43Å; K104-E107 WeakPolarHBondContact CE-OE1 3.46Å; K104-E107 IonicContact NZ-OE1 2.66Å; K104-E107 PolarHBondContact NZ-OE1 2.94Å
105	K	92.6	Very high	92.1	Very high	135 Å²	135	63.7 Å²	63.7	59%	0.587	34%	0.337	S	S	*	.			trans	-95.3	-25.3	-177.9	-68.3	-176.1	-176.6	177.5	0	113.4	K53 A57 D103	K53-K105 PolarHBondContact N-O 3.24Å; A57-K105 HydrophobicContact CB-CB 4.18Å; D103-K105 PolarHBondContact O-N 2.96Å
106	I	95.1	Very high	92.2	Very high	27 Å²	27	66.5 Å²	66.5	14%	0.138	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.2	-176.5	63.8	97.6	0	0	0	111.1	L50 Y51 L108	L50-I106 HydrophobicContact CD1-CB 3.9Å; L50-I106 HydrophobicContact CD1-CD1 4.12Å; L50-I106 HydrophobicContact CD1-CG1 4.44Å; L50-I106 HydrophobicContact CD1-CG2 4.17Å; Y51-I106 CarbonylContact O-C 3.56Å; Y51-I106 WeakPolarHBondContact O-CA 2.68Å; I106-L108 HydrophobicContact CD1-CG 4.35Å
107	E	95.6	Very high	92.2	Very high	9 Å²	9	60.4 Å²	60.4	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.2	166.9	-80.9	-178.5	180	0	0	109.6	Y51 V97 D98 L99 K104 F109	Y51-E107 PolarHBondContact N-O 2.85Å; Y51-E107 PolarHBondContact O-N 3.43Å; V97-E107 WeakPolarHBondContact CG1-OE2 3.26Å; D98-E107 PolarHBondContact N-OE1 3.19Å; D98-E107 PolarHBondContact N-OE2 2.85Å; L99-E107 HydrophobicContact CD2-CB 4.46Å; L99-E107 HydrophobicContact CD2-CG 4.01Å; K104-E107 HydrophobicContact CD-CG 4.25Å; K104-E107 VanDerWaalsContact CE-CG 3.43Å; K104-E107 WeakPolarHBondContact CE-OE1 3.46Å; K104-E107 IonicContact NZ-OE1 2.66Å; K104-E107 PolarHBondContact NZ-OE1 2.94Å; E107-F109 HydrophobicContact CB-CD1 4.34Å; E107-F109 HydrophobicContact CB-CE1 3.95Å; E107-F109 HydrophobicContact CG-CE1 4.3Å; E107-F109 VanDerWaalsContact OE2-CE1 3.24Å; E107-F109 WeakPolarHBondContact OE2-CE1 3.31Å; E107-F109 WeakPolarHBondContact OE2-CZ 3.14Å
108	L	97.4	Very high	92.4	Very high	9 Å²	9	62 Å²	62	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.6	175.5	-78.3	168.9	0	0	0	108.5	L48 V49 L50 L65 I106 Y120 V124 L129	L48-L108 HydrophobicContact CD1-CB 4.41Å; L48-L108 HydrophobicContact CD1-CD2 4.44Å; L48-L108 HydrophobicContact CD2-CD2 4.13Å; L48-L108 HydrophobicContact CG-CD2 4.11Å; V49-L108 WeakPolarHBondContact O-CA 3.28Å; L50-L108 HydrophobicContact CB-CD2 3.96Å; L50-L108 HydrophobicContact CD1-CD2 3.76Å; L50-L108 HydrophobicContact CD1-CG 4.16Å; L50-L108 HydrophobicContact CG-CD2 4.49Å; L65-L108 HydrophobicContact CD1-CD2 4.23Å; I106-L108 HydrophobicContact CD1-CG 4.35Å; L108-Y120 HydrophobicContact CB-CD1 4.41Å; L108-Y120 HydrophobicContact CB-CG 4.46Å; L108-Y120 HydrophobicContact CD1-CD1 3.94Å; L108-Y120 HydrophobicContact CD1-CE1 4.47Å; L108-Y120 WeakPolarHBondContact O-CB 3.24Å; L108-Y120 PolarHBondContact O-N 2.8Å; L108-V124 HydrophobicContact CD1-CG1 4.07Å; L108-V124 HydrophobicContact CD1-CG2 4.23Å; L108-L129 HydrophobicContact CD1-CD2 4.34Å
109	F	98	Very high	92.7	Very high	5 Å²	5	62.9 Å²	62.9	2%	0.022	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.8	176.4	-68.5	-1.5	0	0	0	109.8	V49 Y51 V97 E107 Y111 F116 E119	V49-F109 PolarHBondContact N-O 2.88Å; V49-F109 PolarHBondContact O-N 2.91Å; Y51-F109 HydrophobicContact CD2-CB 4.43Å; Y51-F109 HydrophobicContact CD2-CD2 4.07Å; Y51-F109 HydrophobicContact CD2-CG 4.14Å; Y51-F109 HydrophobicContact CE2-CB 3.93Å; Y51-F109 AromaticContact CE2-CD2 3.56Å; Y51-F109 HydrophobicContact CE2-CD2 3.56Å; Y51-F109 HydrophobicContact CE2-CE2 4.3Å; Y51-F109 AromaticContact CE2-CG 3.86Å; Y51-F109 HydrophobicContact CE2-CG 3.86Å; V97-F109 HydrophobicContact CG2-CD2 4.36Å; V97-F109 HydrophobicContact CG2-CE2 3.77Å; V97-F109 HydrophobicContact CG2-CZ 4.28Å; E107-F109 HydrophobicContact CB-CD1 4.34Å; E107-F109 HydrophobicContact CB-CE1 3.95Å; E107-F109 HydrophobicContact CG-CE1 4.3Å; E107-F109 VanDerWaalsContact OE2-CE1 3.24Å; E107-F109 WeakPolarHBondContact OE2-CE1 3.31Å; E107-F109 WeakPolarHBondContact OE2-CZ 3.14Å; F109-Y111 HydrophobicContact CB-CE2 3.71Å; F109-F116 HydrophobicContact CB-CD2 4.47Å; F109-F116 HydrophobicContact CB-CE2 4Å; F109-F116 HydrophobicContact CD1-CE2 4.33Å; F109-F116 HydrophobicContact CD2-CD2 4.34Å; F109-F116 AromaticContact CD2-CE2 3.79Å; F109-F116 HydrophobicContact CD2-CE2 3.79Å; F109-F116 HydrophobicContact CE2-CE2 4.3Å; F109-F116 AromaticContact CG-CE2 3.8Å; F109-F116 HydrophobicContact CG-CE2 3.8Å; F109-E119 HydrophobicContact CD1-CB 4.2Å; F109-E119 HydrophobicContact CD1-CG 3.84Å; F109-E119 HydrophobicContact CE1-CB 4.22Å; F109-E119 HydrophobicContact CE1-CG 3.53Å; F109-E119 HydrophobicContact CZ-CG 4.26Å
110	H	97.9	Very high	92.9	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.3	172.9	-178.2	-96.6	0	0	0	110.4	N46 V47 L48 H117 M118 F132	N46-H110 PolarHBondContact OD1-NE2 3.22Å; V47-H110 WeakPolarHBondContact O-CA 2.97Å; L48-H110 HydrophobicContact CD1-CB 4.27Å; H110-H117 AromaticContact CE1-ND1 3.64Å; H110-H117 VanDerWaalsContact ND1-CB 3.33Å; H110-H117 WeakPolarHBondContact ND1-CB 3.26Å; H110-H117 AromaticContact ND1-CG 3.48Å; H110-H117 AromaticContact ND1-ND1 3.01Å; H110-H117 PolarHBondContact ND1-ND1 2.9Å; H110-H117 WeakPolarHBondContact O-CB 3.41Å; H110-H117 PolarHBondContact O-N 2.95Å; H110-M118 HydrophobicContact CB-CG 4.25Å; H110-M118 PolarHBondContact N-O 2.97Å; H110-M118 PolarHBondContact O-N 2.94Å; H110-F132 HydrophobicContact CB-CE1 3.75Å; H110-F132 HydrophobicContact CB-CZ 3.71Å; H110-F132 AromaticContact CD2-CE1 3.43Å; H110-F132 VanDerWaalsContact CD2-CE1 3.43Å; H110-F132 WeakPolarHBondContact CD2-CE1 3.3Å; H110-F132 AromaticContact CD2-CZ 3.85Å; H110-F132 AromaticContact CG-CE1 3.57Å; H110-F132 AromaticContact CG-CZ 3.56Å; H110-F132 AromaticContact ND1-CZ 3.99Å
111	Y	96.9	Very high	93.2	Very high	7 Å²	7	64.9 Å²	64.9	3%	0.027	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.7	173.8	-61.5	-99.4	0	0	0	109.2	L41 V47 V49 Y51 M95 F109 A115 F116	L41-Y111 HydrophobicContact CD1-CD1 3.67Å; L41-Y111 HydrophobicContact CD1-CE1 4.01Å; L41-Y111 HydrophobicContact CD1-CG 4.05Å; L41-Y111 VanDerWaalsContact CD2-CB 3.45Å; L41-Y111 HydrophobicContact CD2-CD1 4.09Å; L41-Y111 HydrophobicContact CD2-CD2 4.03Å; L41-Y111 HydrophobicContact CD2-CG 3.59Å; L41-Y111 HydrophobicContact CG-CG 4.48Å; V47-Y111 PolarHBondContact N-O 2.55Å; V47-Y111 PolarHBondContact O-N 2.84Å; V49-Y111 HydrophobicContact CB-CE2 4.09Å; V49-Y111 HydrophobicContact CG2-CD2 3.59Å; V49-Y111 HydrophobicContact CG2-CE2 3.46Å; V49-Y111 VanDerWaalsContact CG2-CE2 3.46Å; Y51-Y111 PolarHBondContact OH-OH 2.65Å; M95-Y111 HydrophobicContact CE-CE1 3.58Å; M95-Y111 WeakPolarHBondContact CE-OH 3.15Å; F109-Y111 HydrophobicContact CB-CE2 3.71Å; Y111-A115 CarbonylContact C-O 3.58Å; Y111-A115 WeakPolarHBondContact CA-O 3.44Å; Y111-A115 WeakPolarHBondContact CB-O 3.32Å; Y111-F116 HydrophobicContact CD1-CB 4.11Å; Y111-F116 HydrophobicContact CE1-CB 3.93Å; Y111-F116 AromaticContact CE1-CD2 3.97Å; Y111-F116 HydrophobicContact CE1-CD2 3.97Å; Y111-F116 HydrophobicContact CE1-CG 4.47Å
112	Q	95.6	Very high	93.3	Very high	37 Å²	37	64 Å²	64	17%	0.173	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.5	178.2	-167.4	165.9	43.7	0	0	109.6	N45 G114 A115 H117 K137	N45-Q112 CarbonylContact O-C 3.55Å; N45-Q112 VanDerWaalsContact O-CA 3.27Å; N45-Q112 WeakPolarHBondContact O-CA 3.42Å; Q112-G114 PolarHBondContact O-N 3.33Å; Q112-G114 VanDerWaalsContact O-N 3.1Å; Q112-A115 PolarHBondContact N-O 2.96Å; Q112-A115 PolarHBondContact O-N 2.87Å; Q112-H117 HydrophobicContact CB-CB 4.02Å; Q112-K137 VanDerWaalsContact OE1-CE 3.29Å
113	D	93.7	Very high	93.7	Very high	99 Å²	99	57.2 Å²	57.2	53%	0.529	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.1	178	-57.4	-45.2	0	0	0	113.1	N45 A115	N45-D113 WeakPolarHBondContact CB-OD1 3.23Å; N45-D113 PolarHBondContact O-N 2.79Å; D113-A115 VanDerWaalsContact C-N 3.3Å; D113-A115 PolarHBondContact O-N 3.49Å
114	G	91.9	Very high	94.1	Very high	36 Å²	36	52.8 Å²	52.8	37%	0.371	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	0.1	178.8	0	0	0	0	0	116.4	L41 Q112	L41-G114 WeakPolarHBondContact O-CA 3.25Å; Q112-G114 PolarHBondContact O-N 3.33Å; Q112-G114 VanDerWaalsContact O-N 3.1Å
115	A	94.1	Very high	94.4	Very high	57 Å²	57	52.3 Å²	52.3	47%	0.471	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	156.9	176.2	0	0	0	0	0	111.7	Y111 Q112 D113 H117	Y111-A115 CarbonylContact C-O 3.58Å; Y111-A115 WeakPolarHBondContact CA-O 3.44Å; Y111-A115 WeakPolarHBondContact CB-O 3.32Å; Q112-A115 PolarHBondContact N-O 2.96Å; Q112-A115 PolarHBondContact O-N 2.87Å; D113-A115 VanDerWaalsContact C-N 3.3Å; D113-A115 PolarHBondContact O-N 3.49Å; A115-H117 PolarHBondContact O-N 3.49Å
116	F	95.4	Very high	94.5	Very high	106 Å²	106	49.3 Å²	49.3	47%	0.465	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.5	170	177.2	-99.7	0	0	0	109.1	F109 Y111 E119	F109-F116 HydrophobicContact CB-CD2 4.47Å; F109-F116 HydrophobicContact CB-CE2 4Å; F109-F116 HydrophobicContact CD1-CE2 4.33Å; F109-F116 HydrophobicContact CD2-CD2 4.34Å; F109-F116 AromaticContact CD2-CE2 3.79Å; F109-F116 HydrophobicContact CD2-CE2 3.79Å; F109-F116 HydrophobicContact CE2-CE2 4.3Å; F109-F116 AromaticContact CG-CE2 3.8Å; F109-F116 HydrophobicContact CG-CE2 3.8Å; Y111-F116 HydrophobicContact CD1-CB 4.11Å; Y111-F116 HydrophobicContact CE1-CB 3.93Å; Y111-F116 AromaticContact CE1-CD2 3.97Å; Y111-F116 HydrophobicContact CE1-CD2 3.97Å; Y111-F116 HydrophobicContact CE1-CG 4.47Å; F116-E119 HydrophobicContact CZ-CG 3.89Å
117	H	94.8	Very high	94.3	Very high	60 Å²	60	51.1 Å²	51.1	28%	0.278	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-58.5	178.1	179.2	-134.4	0	0	0	110.2	H110 Q112 A115	H110-H117 AromaticContact CE1-ND1 3.64Å; H110-H117 VanDerWaalsContact ND1-CB 3.33Å; H110-H117 WeakPolarHBondContact ND1-CB 3.26Å; H110-H117 AromaticContact ND1-CG 3.48Å; H110-H117 AromaticContact ND1-ND1 3.01Å; H110-H117 PolarHBondContact ND1-ND1 2.9Å; H110-H117 WeakPolarHBondContact O-CB 3.41Å; H110-H117 PolarHBondContact O-N 2.95Å; Q112-H117 HydrophobicContact CB-CB 4.02Å; A115-H117 PolarHBondContact O-N 3.49Å
118	M	95.5	Very high	94.1	Very high	54 Å²	54	50.7 Å²	50.7	27%	0.266	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	163.4	-177.8	58.5	-179.5	34	0	0	112.1	H110 F132	H110-M118 HydrophobicContact CB-CG 4.25Å; H110-M118 PolarHBondContact N-O 2.97Å; H110-M118 PolarHBondContact O-N 2.94Å; M118-F132 HydrophobicContact CG-CZ 4.25Å; M118-F132 HydrophobicContact SD-CE2 3.65Å; M118-F132 HydrophobicContact SD-CZ 3.85Å
119	E	95.8	Very high	94.1	Very high	101 Å²	101	50.2 Å²	50.2	47%	0.472	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.3	156.3	-51.2	-170.3	-167	0	0	107.9	F109 F116 D121	F109-E119 HydrophobicContact CD1-CB 4.2Å; F109-E119 HydrophobicContact CD1-CG 3.84Å; F109-E119 HydrophobicContact CE1-CB 4.22Å; F109-E119 HydrophobicContact CE1-CG 3.53Å; F109-E119 HydrophobicContact CZ-CG 4.26Å; F116-E119 HydrophobicContact CZ-CG 3.89Å; E119-D121 PolarHBondContact O-N 2.81Å
120	Y	94.6	Very high	93.9	Very high	22 Å²	22	51 Å²	51	9%	0.086	28%	0.28	C	S	.	.			trans	-70.5	116.4	176.3	178.3	-97	0	0	0	109.3	L108 R122 A123 V124 S128 L129 F132	L108-Y120 HydrophobicContact CB-CD1 4.41Å; L108-Y120 HydrophobicContact CB-CG 4.46Å; L108-Y120 HydrophobicContact CD1-CD1 3.94Å; L108-Y120 HydrophobicContact CD1-CE1 4.47Å; L108-Y120 WeakPolarHBondContact O-CB 3.24Å; L108-Y120 PolarHBondContact O-N 2.8Å; Y120-R122 HydrophobicContact CE1-CB 4.18Å; Y120-R122 VanDerWaalsContact CE1-O 3.23Å; Y120-R122 WeakPolarHBondContact CE1-O 3.4Å; Y120-R122 HydrophobicContact CE2-CB 3.88Å; Y120-R122 HydrophobicContact CE2-CG 4.21Å; Y120-A123 PolarHBondContact OH-O 2.89Å; Y120-V124 HydrophobicContact CD1-CG2 4.41Å; Y120-V124 HydrophobicContact CE1-CG2 4.06Å; Y120-S128 WeakPolarHBondContact OH-CB 3.49Å; Y120-S128 PolarHBondContact OH-OG 3.44Å; Y120-L129 HydrophobicContact CD1-CD2 4.17Å; Y120-L129 HydrophobicContact CD2-CD2 4.33Å; Y120-L129 HydrophobicContact CE1-CD2 3.65Å; Y120-L129 HydrophobicContact CE1-CG 4.33Å; Y120-L129 HydrophobicContact CE2-CD2 3.85Å; Y120-L129 HydrophobicContact CG-CD2 4.45Å; Y120-L129 VanDerWaalsContact CZ-CD2 3.44Å; Y120-L129 PolarHBondContact OH-N 2.81Å; Y120-F132 AromaticContact CD2-CD1 3.74Å; Y120-F132 HydrophobicContact CD2-CD1 3.74Å; Y120-F132 HydrophobicContact CD2-CD2 4.39Å; Y120-F132 AromaticContact CD2-CE1 3.91Å; Y120-F132 HydrophobicContact CD2-CE1 3.91Å; Y120-F132 AromaticContact CD2-CG 3.99Å; Y120-F132 HydrophobicContact CD2-CG 3.99Å; Y120-F132 HydrophobicContact CD2-CZ 4.31Å; Y120-F132 HydrophobicContact CE2-CB 3.94Å; Y120-F132 AromaticContact CE2-CD1 3.88Å; Y120-F132 HydrophobicContact CE2-CD1 3.88Å; Y120-F132 HydrophobicContact CE2-CD2 4.4Å; Y120-F132 AromaticContact CE2-CG 3.81Å; Y120-F132 HydrophobicContact CE2-CG 3.81Å
121	D	90.4	Very high	93.6	Very high	129 Å²	129	52.5 Å²	52.5	69%	0.69	29%	0.292	S	S	*	.			trans	-113.5	6	-169.8	62.2	-11.1	0	0	0	113.3	E119	E119-D121 PolarHBondContact O-N 2.81Å
122	R	91.1	Very high	93.5	Very high	39 Å²	39	52.1 Å²	52.1	15%	0.147	29%	0.291	C	S	.	.	S	Bend	trans	-94.5	175.6	-180	-49	-176.8	-169.2	-170.6	-1	112	Y120 V124 G138 P139	Y120-R122 HydrophobicContact CE1-CB 4.18Å; Y120-R122 VanDerWaalsContact CE1-O 3.23Å; Y120-R122 WeakPolarHBondContact CE1-O 3.4Å; Y120-R122 HydrophobicContact CE2-CB 3.88Å; Y120-R122 HydrophobicContact CE2-CG 4.21Å; R122-V124 PolarHBondContact O-N 2.87Å; R122-G138 PolarHBondContact NH1-O 2.94Å; R122-G138 PolarHBondContact NH2-O 3.31Å; R122-P139 PolarHBondContact NH1-O 3.08Å
123	A	90.5	Very high	93.5	Very high	46 Å²	46	50.4 Å²	50.4	38%	0.38	28%	0.282	S	S	.	.			trans	-60.9	124.4	177.2	0	0	0	0	0	111.1	Y120 T125 S128 E144	Y120-A123 PolarHBondContact OH-O 2.89Å; A123-T125 HydrophobicContact CB-CG2 4.12Å; A123-T125 PolarHBondContact O-N 2.84Å; A123-S128 WeakPolarHBondContact O-CB 3.46Å; A123-S128 PolarHBondContact O-OG 2.93Å; A123-E144 HydrophobicContact CB-CG 4.39Å
124	V	92.9	Very high	93.4	Very high	60 Å²	60	51.2 Å²	51.2	36%	0.364	28%	0.281	S	S	.	.			trans	-76.4	71.1	-179.2	-170.3	0	0	0	0	110.7	L64 L108 Y120 R122 L129	L64-V124 HydrophobicContact CD2-CG1 4.05Å; L64-V124 WeakPolarHBondContact CD2-O 3.12Å; L108-V124 HydrophobicContact CD1-CG1 4.07Å; L108-V124 HydrophobicContact CD1-CG2 4.23Å; Y120-V124 HydrophobicContact CD1-CG2 4.41Å; Y120-V124 HydrophobicContact CE1-CG2 4.06Å; R122-V124 PolarHBondContact O-N 2.87Å; V124-L129 HydrophobicContact CG1-CD1 4.1Å
125	T	93.2	Very high	93.3	Very high	60 Å²	60	53.6 Å²	53.6	37%	0.368	29%	0.285	S	S	.	.	S	Bend	trans	-122.1	160.6	179.3	72.5	0	0	0	0	110.4	A123 K127 S128 L129	A123-T125 HydrophobicContact CB-CG2 4.12Å; A123-T125 PolarHBondContact O-N 2.84Å; T125-K127 VanDerWaalsContact C-N 3.27Å; T125-K127 PolarHBondContact O-N 3.21Å; T125-S128 PolarHBondContact O-N 2.53Å; T125-S128 WeakPolarHBondContact OG1-CB 3.32Å; T125-S128 PolarHBondContact OG1-N 3.19Å; T125-L129 WeakPolarHBondContact O-CB 3.47Å; T125-L129 WeakPolarHBondContact O-CD1 3.41Å; T125-L129 VanDerWaalsContact O-CG 3.32Å; T125-L129 WeakPolarHBondContact O-CG 3.45Å; T125-L129 PolarHBondContact O-N 3.21Å
126	L	93.1	Very high	93.1	Very high	73 Å²	73	51.4 Å²	51.4	38%	0.382	27%	0.267	S	S	.	.	H	α-helix	trans	-55.6	-46.7	178.4	175.9	61	0	0	0	110.7	L64 T67 V68 V130	L64-L126 HydrophobicContact CD1-CB 3.83Å; T67-L126 HydrophobicContact CG2-CD1 3.76Å; T67-L126 HydrophobicContact CG2-CD2 3.88Å; T67-L126 HydrophobicContact CG2-CG 4.5Å; V68-L126 HydrophobicContact CB-CD1 4.36Å; V68-L126 HydrophobicContact CG2-CD1 3.65Å; L126-V130 HydrophobicContact CD1-CG2 3.88Å; L126-V130 HydrophobicContact CG-CG2 4.45Å; L126-V130 VanDerWaalsContact O-CB 3.28Å; L126-V130 WeakPolarHBondContact O-CB 3.48Å; L126-V130 WeakPolarHBondContact O-CG2 3.23Å; L126-V130 PolarHBondContact O-N 3.42Å
127	K	90.9	Very high	92.7	Very high	64 Å²	64	53.2 Å²	53.2	28%	0.278	27%	0.274	S	S	.	.	H	α-helix	trans	-67.9	-45.3	-175.3	-166.3	-176.8	169.4	-172.9	0	112.2	T125 V130 A131 L141 E143 D155	T125-K127 VanDerWaalsContact C-N 3.27Å; T125-K127 PolarHBondContact O-N 3.21Å; K127-V130 PolarHBondContact O-N 3.02Å; K127-A131 VanDerWaalsContact O-CB 3.24Å; K127-A131 WeakPolarHBondContact O-CB 3.38Å; K127-A131 PolarHBondContact O-N 3.46Å; K127-L141 HydrophobicContact CB-CD1 4.29Å; K127-L141 HydrophobicContact CD-CD1 3.93Å; K127-L141 HydrophobicContact CG-CD1 3.67Å; K127-E143 VanDerWaalsContact CD-OE1 3.26Å; K127-E143 WeakPolarHBondContact CD-OE1 3.01Å; K127-E143 WeakPolarHBondContact CE-OE1 3.16Å; K127-E143 IonicContact NZ-OE1 2.75Å; K127-E143 PolarHBondContact NZ-OE1 3.26Å; K127-E143 IonicContact NZ-OE2 3.96Å; K127-E143 PolarHBondContact NZ-OE2 2.75Å; K127-D155 IonicContact NZ-OD1 2.73Å; K127-D155 PolarHBondContact NZ-OD1 2.6Å; K127-D155 IonicContact NZ-OD2 2.63Å; K127-D155 PolarHBondContact NZ-OD2 3.4Å
128	S	93.2	Very high	92.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-47.7	178.2	-169.1	0	0	0	0	111.8	Y120 A123 T125 V130 A131 F132 E144	Y120-S128 WeakPolarHBondContact OH-CB 3.49Å; Y120-S128 PolarHBondContact OH-OG 3.44Å; A123-S128 WeakPolarHBondContact O-CB 3.46Å; A123-S128 PolarHBondContact O-OG 2.93Å; T125-S128 PolarHBondContact O-N 2.53Å; T125-S128 WeakPolarHBondContact OG1-CB 3.32Å; T125-S128 PolarHBondContact OG1-N 3.19Å; S128-V130 PolarHBondContact O-N 3.14Å; S128-A131 PolarHBondContact O-N 2.87Å; S128-F132 WeakPolarHBondContact O-CB 3.47Å; S128-F132 PolarHBondContact O-N 3.32Å; S128-E144 WeakPolarHBondContact CA-OE1 2.93Å; S128-E144 WeakPolarHBondContact CB-OE1 3.34Å; S128-E144 PolarHBondContact OG-OE1 2.98Å
129	L	96.1	Very high	91.4	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-40.8	-179.8	-71.7	165.9	0	0	0	111.9	L48 L64 L65 V68 L108 Y120 V124 T125 L133	L48-L129 HydrophobicContact CD2-CD2 3.84Å; L64-L129 HydrophobicContact CD2-CD1 3.9Å; L64-L129 HydrophobicContact CG-CD1 4.29Å; L65-L129 HydrophobicContact CD2-CD1 3.95Å; V68-L129 HydrophobicContact CG1-CB 3.92Å; V68-L129 HydrophobicContact CG2-CB 3.79Å; V68-L129 HydrophobicContact CG2-CD1 3.94Å; L108-L129 HydrophobicContact CD1-CD2 4.34Å; Y120-L129 HydrophobicContact CD1-CD2 4.17Å; Y120-L129 HydrophobicContact CD2-CD2 4.33Å; Y120-L129 HydrophobicContact CE1-CD2 3.65Å; Y120-L129 HydrophobicContact CE1-CG 4.33Å; Y120-L129 HydrophobicContact CE2-CD2 3.85Å; Y120-L129 HydrophobicContact CG-CD2 4.45Å; Y120-L129 VanDerWaalsContact CZ-CD2 3.44Å; Y120-L129 PolarHBondContact OH-N 2.81Å; V124-L129 HydrophobicContact CG1-CD1 4.1Å; T125-L129 WeakPolarHBondContact O-CB 3.47Å; T125-L129 WeakPolarHBondContact O-CD1 3.41Å; T125-L129 VanDerWaalsContact O-CG 3.32Å; T125-L129 WeakPolarHBondContact O-CG 3.45Å; T125-L129 PolarHBondContact O-N 3.21Å; L129-L133 WeakPolarHBondContact O-CB 3.39Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 2.85Å
130	V	94.4	Very high	91	Very high	21 Å²	21	50.8 Å²	50.8	13%	0.127	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-47.8	175	170.1	0	0	0	0	110.6	V68 A71 V72 L126 K127 S128 F132 L133 K134	V68-V130 HydrophobicContact CB-CG2 4.43Å; V68-V130 HydrophobicContact CG1-CG2 4.01Å; V68-V130 HydrophobicContact CG2-CG2 4.48Å; A71-V130 HydrophobicContact CB-CG1 4.45Å; A71-V130 HydrophobicContact CB-CG2 3.72Å; V72-V130 HydrophobicContact CG1-CB 4.34Å; V72-V130 HydrophobicContact CG1-CG1 4.11Å; V72-V130 HydrophobicContact CG1-CG2 4.19Å; L126-V130 HydrophobicContact CD1-CG2 3.88Å; L126-V130 HydrophobicContact CG-CG2 4.45Å; L126-V130 VanDerWaalsContact O-CB 3.28Å; L126-V130 WeakPolarHBondContact O-CB 3.48Å; L126-V130 WeakPolarHBondContact O-CG2 3.23Å; L126-V130 PolarHBondContact O-N 3.42Å; K127-V130 PolarHBondContact O-N 3.02Å; S128-V130 PolarHBondContact O-N 3.14Å; V130-F132 PolarHBondContact O-N 3.22Å; V130-L133 PolarHBondContact O-N 2.72Å; V130-K134 HydrophobicContact CG1-CD 4.14Å; V130-K134 HydrophobicContact CG1-CG 4.42Å; V130-K134 WeakPolarHBondContact O-CB 3.3Å; V130-K134 VanDerWaalsContact O-CG 3.26Å; V130-K134 WeakPolarHBondContact O-CG 2.97Å; V130-K134 PolarHBondContact O-N 3.49Å
131	A	91.4	Very high	90.8	Very high	31 Å²	31	51.7 Å²	51.7	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-47.4	178.6	0	0	0	0	0	111.4	K127 S128 K134 D135 L141	K127-A131 VanDerWaalsContact O-CB 3.24Å; K127-A131 WeakPolarHBondContact O-CB 3.38Å; K127-A131 PolarHBondContact O-N 3.46Å; S128-A131 PolarHBondContact O-N 2.87Å; A131-K134 PolarHBondContact O-N 3.01Å; A131-D135 PolarHBondContact O-N 2.93Å; A131-L141 HydrophobicContact CB-CD1 4.27Å; A131-L141 HydrophobicContact CB-CD2 3.96Å; A131-L141 HydrophobicContact CB-CG 4.25Å
132	F	95.1	Very high	90.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-45.8	176.6	175.4	-103.2	0	0	0	112.4	H110 M118 Y120 S128 V130 K134 D135 P136	H110-F132 HydrophobicContact CB-CE1 3.75Å; H110-F132 HydrophobicContact CB-CZ 3.71Å; H110-F132 AromaticContact CD2-CE1 3.43Å; H110-F132 VanDerWaalsContact CD2-CE1 3.43Å; H110-F132 WeakPolarHBondContact CD2-CE1 3.3Å; H110-F132 AromaticContact CD2-CZ 3.85Å; H110-F132 AromaticContact CG-CE1 3.57Å; H110-F132 AromaticContact CG-CZ 3.56Å; H110-F132 AromaticContact ND1-CZ 3.99Å; M118-F132 HydrophobicContact CG-CZ 4.25Å; M118-F132 HydrophobicContact SD-CE2 3.65Å; M118-F132 HydrophobicContact SD-CZ 3.85Å; Y120-F132 AromaticContact CD2-CD1 3.74Å; Y120-F132 HydrophobicContact CD2-CD1 3.74Å; Y120-F132 HydrophobicContact CD2-CD2 4.39Å; Y120-F132 AromaticContact CD2-CE1 3.91Å; Y120-F132 HydrophobicContact CD2-CE1 3.91Å; Y120-F132 AromaticContact CD2-CG 3.99Å; Y120-F132 HydrophobicContact CD2-CG 3.99Å; Y120-F132 HydrophobicContact CD2-CZ 4.31Å; Y120-F132 HydrophobicContact CE2-CB 3.94Å; Y120-F132 AromaticContact CE2-CD1 3.88Å; Y120-F132 HydrophobicContact CE2-CD1 3.88Å; Y120-F132 HydrophobicContact CE2-CD2 4.4Å; Y120-F132 AromaticContact CE2-CG 3.81Å; Y120-F132 HydrophobicContact CE2-CG 3.81Å; S128-F132 WeakPolarHBondContact O-CB 3.47Å; S128-F132 PolarHBondContact O-N 3.32Å; V130-F132 PolarHBondContact O-N 3.22Å; F132-K134 VanDerWaalsContact C-N 3.29Å; F132-K134 PolarHBondContact O-N 2.81Å; F132-D135 CarbonylContact O-C 3.5Å; F132-D135 PolarHBondContact O-N 2.94Å; F132-P136 HydrophobicContact CE2-CB 4.16Å; F132-P136 HydrophobicContact CZ-CB 4.27Å; F132-P136 WeakPolarHBondContact O-CA 3.41Å; F132-P136 VanDerWaalsContact O-CD 3.25Å; F132-P136 WeakPolarHBondContact O-CD 3.23Å; F132-P136 VanDerWaalsContact O-CG 3.32Å; F132-P136 WeakPolarHBondContact O-CG 3.4Å
133	L	95.4	Very high	90.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-73.2	-20.3	-180	-71.1	172.9	0	0	0	113.5	N46 L48 V68 V72 I78 L129 V130	N46-L133 PolarHBondContact ND2-O 2.94Å; N46-L133 WeakPolarHBondContact OD1-CD2 3.17Å; L48-L133 HydrophobicContact CB-CD1 4.37Å; L48-L133 HydrophobicContact CB-CD2 3.94Å; L48-L133 HydrophobicContact CD2-CD1 4.11Å; V68-L133 HydrophobicContact CG1-CD1 3.74Å; V72-L133 HydrophobicContact CB-CB 4.43Å; V72-L133 HydrophobicContact CG1-CB 4Å; V72-L133 HydrophobicContact CG2-CB 4.4Å; V72-L133 HydrophobicContact CG2-CD1 4.04Å; I78-L133 HydrophobicContact CD1-CD1 3.92Å; I78-L133 HydrophobicContact CG1-CD1 4.14Å; L129-L133 WeakPolarHBondContact O-CB 3.39Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 2.85Å; V130-L133 PolarHBondContact O-N 2.72Å
134	K	92	Very high	90.8	Very high	116 Å²	116	47.3 Å²	47.3	50%	0.504	25%	0.253	S	S	.	.	H	α-helix	trans	-77.8	-37	170.6	-70.4	-171.1	173.7	178.3	0	112.1	V72 V130 A131 F132	V72-K134 HydrophobicContact CG1-CG 4.44Å; V130-K134 HydrophobicContact CG1-CD 4.14Å; V130-K134 HydrophobicContact CG1-CG 4.42Å; V130-K134 WeakPolarHBondContact O-CB 3.3Å; V130-K134 VanDerWaalsContact O-CG 3.26Å; V130-K134 WeakPolarHBondContact O-CG 2.97Å; V130-K134 PolarHBondContact O-N 3.49Å; A131-K134 PolarHBondContact O-N 3.01Å; F132-K134 VanDerWaalsContact C-N 3.29Å; F132-K134 PolarHBondContact O-N 2.81Å
135	D	89.6	Confident	90.6	Very high	86 Å²	86	47.6 Å²	47.6	46%	0.46	25%	0.252	S	S	.	.			trans	-141.7	86	177.1	-176.9	10.6	0	0	0	111.2	A131 F132 K137 G138	A131-D135 PolarHBondContact O-N 2.93Å; F132-D135 CarbonylContact O-C 3.5Å; F132-D135 PolarHBondContact O-N 2.94Å; D135-K137 PolarHBondContact O-N 3.02Å; D135-K137 PolarHBondContact OD1-N 3.27Å; D135-G138 VanDerWaalsContact CG-N 3.26Å; D135-G138 PolarHBondContact O-N 3.07Å; D135-G138 PolarHBondContact OD1-N 3.04Å; D135-G138 VanDerWaalsContact OD1-N 3.08Å; D135-G138 WeakPolarHBondContact OD2-CA 3.48Å; D135-G138 PolarHBondContact OD2-N 3.35Å
136	P	90.1	Very high	90.5	Very high	12 Å²	12	50 Å²	50	8%	0.078	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.5	-176.2	-25.3	34.2	0	0	0	114.4	F132	F132-P136 HydrophobicContact CE2-CB 4.16Å; F132-P136 HydrophobicContact CZ-CB 4.27Å; F132-P136 WeakPolarHBondContact O-CA 3.41Å; F132-P136 VanDerWaalsContact O-CD 3.25Å; F132-P136 WeakPolarHBondContact O-CD 3.23Å; F132-P136 VanDerWaalsContact O-CG 3.32Å; F132-P136 WeakPolarHBondContact O-CG 3.4Å
137	K	86.6	Confident	90.3	Very high	143 Å²	143	48 Å²	48	62%	0.622	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-6.7	177.3	-60.4	-173.5	-179.4	-170.9	0	112.3	Q112 D135	Q112-K137 VanDerWaalsContact OE1-CE 3.29Å; D135-K137 PolarHBondContact O-N 3.02Å; D135-K137 PolarHBondContact OD1-N 3.27Å
138	G	81.4	Confident	90.4	Very high	8 Å²	8	45 Å²	45	8%	0.082	25%	0.252	C	S	.	.	S	Bend	trans	-65.8	151.6	177	0	0	0	0	0	111.2	R122 D135	R122-G138 PolarHBondContact NH1-O 2.94Å; R122-G138 PolarHBondContact NH2-O 3.31Å; D135-G138 VanDerWaalsContact CG-N 3.26Å; D135-G138 PolarHBondContact O-N 3.07Å; D135-G138 PolarHBondContact OD1-N 3.04Å; D135-G138 VanDerWaalsContact OD1-N 3.08Å; D135-G138 WeakPolarHBondContact OD2-CA 3.48Å; D135-G138 PolarHBondContact OD2-N 3.35Å
139	P	82.5	Confident	90.5	Very high	81 Å²	81	52.4 Å²	52.4	53%	0.526	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-62	160.8	176.6	28.6	-35.1	0	0	0	111.4	R122	R122-P139 PolarHBondContact NH1-O 3.08Å
140	P	86.4	Confident	90.5	Very high	76 Å²	76	53.8 Å²	53.8	49%	0.494	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-50.9	154.9	164	-26.5	36.7	0	0	0	111.8	E144	P140-E144 WeakPolarHBondContact CA-OE2 3.39Å; P140-E144 HydrophobicContact CB-CB 4.25Å; P140-E144 VanDerWaalsContact CB-OE2 3.28Å; P140-E144 WeakPolarHBondContact CB-OE2 3.24Å
141	L	89.9	Confident	90.7	Very high	41 Å²	41	53.1 Å²	53.1	22%	0.215	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-65.9	150.1	172.4	-62.9	172	0	0	0	109.4	K127 A131 E143 E144	K127-L141 HydrophobicContact CB-CD1 4.29Å; K127-L141 HydrophobicContact CD-CD1 3.93Å; K127-L141 HydrophobicContact CG-CD1 3.67Å; A131-L141 HydrophobicContact CB-CD1 4.27Å; A131-L141 HydrophobicContact CB-CD2 3.96Å; A131-L141 HydrophobicContact CB-CG 4.25Å; L141-E143 HydrophobicContact CB-CG 4.1Å; L141-E143 PolarHBondContact O-N 3.41Å; L141-E144 HydrophobicContact CB-CG 4.03Å; L141-E144 PolarHBondContact N-OE2 3.28Å; L141-E144 VanDerWaalsContact N-OE2 3.12Å; L141-E144 VanDerWaalsContact O-CB 3.31Å; L141-E144 WeakPolarHBondContact O-CB 3.43Å; L141-E144 PolarHBondContact O-N 3.1Å
142	W	91.7	Very high	91	Very high	18 Å²	18	54.3 Å²	54.3	7%	0.068	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59.7	-34.4	-176.9	-175.7	26.1	0	0	0	112.9	E144 D145 A148 V151 H153 M174 Y176 M187 F190 Q191	W142-E144 PolarHBondContact O-N 2.86Å; W142-D145 VanDerWaalsContact O-CB 3.23Å; W142-D145 WeakPolarHBondContact O-CB 3.44Å; W142-D145 PolarHBondContact O-N 3.16Å; W142-D145 VanDerWaalsContact O-N 3.16Å; W142-A148 VanDerWaalsContact O-CB 3.31Å; W142-A148 WeakPolarHBondContact O-CB 3.06Å; W142-V151 HydrophobicContact CH2-CG1 3.76Å; W142-V151 HydrophobicContact CZ2-CG1 4.08Å; W142-V151 HydrophobicContact CZ2-CG2 4.18Å; W142-V151 HydrophobicContact CZ3-CG1 4.28Å; W142-H153 AromaticContact CD2-CE1 3.72Å; W142-H153 AromaticContact CE3-CE1 3.86Å; W142-H153 AromaticContact CG-CE1 3.93Å; W142-M174 HydrophobicContact CE3-CE 4.23Å; W142-M174 HydrophobicContact CH2-CE 3.07Å; W142-M174 HydrophobicContact CZ2-CE 3.81Å; W142-M174 HydrophobicContact CZ3-CE 3.28Å; W142-Y176 HydrophobicContact CE3-CD1 4.15Å; W142-Y176 AromaticContact CE3-CE1 3.63Å; W142-Y176 HydrophobicContact CE3-CE1 3.63Å; W142-Y176 AromaticContact CE3-CZ 3.86Å; W142-Y176 HydrophobicContact CZ3-CD1 4.14Å; W142-Y176 AromaticContact CZ3-CE1 3.94Å; W142-Y176 HydrophobicContact CZ3-CE1 3.94Å; W142-M187 HydrophobicContact CB-CE 4.36Å; W142-M187 HydrophobicContact CB-SD 4.49Å; W142-M187 HydrophobicContact CD2-CE 3.83Å; W142-M187 HydrophobicContact CD2-CG 3.85Å; W142-M187 HydrophobicContact CD2-SD 3.99Å; W142-M187 HydrophobicContact CE3-CE 3.78Å; W142-M187 HydrophobicContact CE3-CG 4.33Å; W142-M187 HydrophobicContact CG-CE 4.07Å; W142-M187 HydrophobicContact CG-CG 4.29Å; W142-M187 HydrophobicContact CG-SD 3.93Å; W142-M187 HydrophobicContact CH2-CG 4.34Å; W142-M187 HydrophobicContact CZ2-CB 4.2Å; W142-M187 HydrophobicContact CZ2-CG 3.82Å; W142-M187 HydrophobicContact CZ3-CE 4.41Å; W142-F190 AromaticContact CH2-CD1 3.65Å; W142-F190 HydrophobicContact CH2-CD1 3.65Å; W142-F190 HydrophobicContact CH2-CE1 4.05Å; W142-F190 HydrophobicContact CH2-CG 4.45Å; W142-F190 AromaticContact CZ2-CD1 3.98Å; W142-F190 HydrophobicContact CZ2-CD1 3.98Å; W142-Q191 VanDerWaalsContact CD1-NE2 3.31Å; W142-Q191 HydrophobicContact CZ2-CG 4.13Å
143	E	90.2	Very high	91	Very high	63 Å²	63	56.4 Å²	56.4	29%	0.294	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-70.4	-13	175.3	69	-160.8	-160.6	0	0	115	K127 L141 D145 H153	K127-E143 VanDerWaalsContact CD-OE1 3.26Å; K127-E143 WeakPolarHBondContact CD-OE1 3.01Å; K127-E143 WeakPolarHBondContact CE-OE1 3.16Å; K127-E143 IonicContact NZ-OE1 2.75Å; K127-E143 PolarHBondContact NZ-OE1 3.26Å; K127-E143 IonicContact NZ-OE2 3.96Å; K127-E143 PolarHBondContact NZ-OE2 2.75Å; L141-E143 HydrophobicContact CB-CG 4.1Å; L141-E143 PolarHBondContact O-N 3.41Å; E143-D145 VanDerWaalsContact C-N 3.29Å; E143-H153 WeakPolarHBondContact CA-NE2 3.28Å; E143-H153 HydrophobicContact CB-CB 4.1Å; E143-H153 VanDerWaalsContact CB-CD2 3.41Å; E143-H153 WeakPolarHBondContact CB-CD2 3.24Å; E143-H153 VanDerWaalsContact CB-CG 3.48Å; E143-H153 IonicContact OE2-CG 3.21Å
144	E	89.9	Confident	91	Very high	40 Å²	40	57.1 Å²	57.1	19%	0.187	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-83.3	-12.3	173.6	-63.4	168.5	-175.8	0	0	111.5	A123 S128 P140 L141 W142 P146	A123-E144 HydrophobicContact CB-CG 4.39Å; S128-E144 WeakPolarHBondContact CA-OE1 2.93Å; S128-E144 WeakPolarHBondContact CB-OE1 3.34Å; S128-E144 PolarHBondContact OG-OE1 2.98Å; P140-E144 WeakPolarHBondContact CA-OE2 3.39Å; P140-E144 HydrophobicContact CB-CB 4.25Å; P140-E144 VanDerWaalsContact CB-OE2 3.28Å; P140-E144 WeakPolarHBondContact CB-OE2 3.24Å; L141-E144 HydrophobicContact CB-CG 4.03Å; L141-E144 PolarHBondContact N-OE2 3.28Å; L141-E144 VanDerWaalsContact N-OE2 3.12Å; L141-E144 VanDerWaalsContact O-CB 3.31Å; L141-E144 WeakPolarHBondContact O-CB 3.43Å; L141-E144 PolarHBondContact O-N 3.1Å; W142-E144 PolarHBondContact O-N 2.86Å; E144-P146 WeakPolarHBondContact O-CD 3.43Å
145	D	90.3	Very high	91	Very high	67 Å²	67	55.4 Å²	55.4	36%	0.358	30%	0.302	S	S	.	.	S	Bend	trans	-70	121.9	174.6	-171.8	-25.8	0	0	0	109.8	W142 E143 G147 A148 Q191	W142-D145 VanDerWaalsContact O-CB 3.23Å; W142-D145 WeakPolarHBondContact O-CB 3.44Å; W142-D145 PolarHBondContact O-N 3.16Å; W142-D145 VanDerWaalsContact O-N 3.16Å; E143-D145 VanDerWaalsContact C-N 3.29Å; D145-G147 PolarHBondContact O-N 3.34Å; D145-G147 VanDerWaalsContact O-N 3.1Å; D145-G147 PolarHBondContact OD1-N 3.27Å; D145-A148 HydrophobicContact CB-CB 4.15Å; D145-A148 WeakPolarHBondContact O-CB 3.44Å; D145-A148 PolarHBondContact O-N 3.15Å; D145-Q191 VanDerWaalsContact CG-NE2 3.27Å; D145-Q191 PolarHBondContact OD2-NE2 3.12Å
146	P	89.3	Confident	91.2	Very high	111 Å²	111	54 Å²	54	72%	0.721	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-56.4	-27.2	176.5	-24.9	34.6	0	0	0	114	E144 A148	E144-P146 WeakPolarHBondContact O-CD 3.43Å; P146-A148 VanDerWaalsContact C-N 3.28Å
147	G	90.7	Very high	91.4	Very high	29 Å²	29	56.3 Å²	56.3	30%	0.299	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-69.2	-23.8	174.3	0	0	0	0	0	113.4	D145 K149 Q191	D145-G147 PolarHBondContact O-N 3.34Å; D145-G147 VanDerWaalsContact O-N 3.1Å; D145-G147 PolarHBondContact OD1-N 3.27Å; G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 3.02Å; G147-Q191 WeakPolarHBondContact O-CB 3.38Å
148	A	93.3	Very high	91.8	Very high	1 Å²	1	57 Å²	57	1%	0.008	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-84.5	4.3	-177.9	0	0	0	0	0	115.1	W142 D145 P146 D150 V151 Q191	W142-A148 VanDerWaalsContact O-CB 3.31Å; W142-A148 WeakPolarHBondContact O-CB 3.06Å; D145-A148 HydrophobicContact CB-CB 4.15Å; D145-A148 WeakPolarHBondContact O-CB 3.44Å; D145-A148 PolarHBondContact O-N 3.15Å; P146-A148 VanDerWaalsContact C-N 3.28Å; A148-D150 PolarHBondContact O-N 3.41Å; A148-V151 WeakPolarHBondContact O-CB 3.43Å; A148-V151 PolarHBondContact O-N 3.12Å; A148-Q191 HydrophobicContact CB-CG 3.97Å
149	K	93.7	Very high	92.6	Very high	157 Å²	157	58.7 Å²	58.7	68%	0.683	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-54.4	-27.9	-176.4	71.6	-173.6	-178.7	-176.5	0	115.4	G147	G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 3.02Å
150	D	96.9	Very high	93.3	Very high	28 Å²	28	54.8 Å²	54.8	15%	0.15	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-99.1	0.3	-179.2	-65.5	-61.4	0	0	0	112.1	A148 A194 T195 R198	A148-D150 PolarHBondContact O-N 3.41Å; D150-A194 HydrophobicContact CB-CB 4.36Å; D150-T195 PolarHBondContact OD2-OG1 3.28Å; D150-R198 VanDerWaalsContact OD1-CD 3.32Å; D150-R198 WeakPolarHBondContact OD1-CD 3.41Å; D150-R198 IonicContact OD1-CZ 2.88Å; D150-R198 IonicContact OD1-NE 3.37Å; D150-R198 IonicContact OD1-NH1 2.7Å; D150-R198 PolarHBondContact OD1-NH1 3.25Å
151	V	97.8	Very high	93.7	Very high	8 Å²	8	55.3 Å²	55.3	5%	0.048	28%	0.281	C	S	.	.	S	Bend	trans	-88.9	132.4	171.4	-178.9	0	0	0	0	109.2	W142 A148 H153 F190 Q191 A194 L203	W142-V151 HydrophobicContact CH2-CG1 3.76Å; W142-V151 HydrophobicContact CZ2-CG1 4.08Å; W142-V151 HydrophobicContact CZ2-CG2 4.18Å; W142-V151 HydrophobicContact CZ3-CG1 4.28Å; A148-V151 WeakPolarHBondContact O-CB 3.43Å; A148-V151 PolarHBondContact O-N 3.12Å; V151-H153 PolarHBondContact O-CD2 2.96Å; V151-H153 PolarHBondContact O-N 3.33Å; V151-F190 HydrophobicContact CG1-CD1 4.5Å; V151-F190 HydrophobicContact CG1-CE1 4.33Å; V151-F190 HydrophobicContact CG2-CD1 4.31Å; V151-Q191 HydrophobicContact CG2-CB 4.43Å; V151-Q191 HydrophobicContact CG2-CG 4.12Å; V151-A194 HydrophobicContact CG2-CB 3.8Å; V151-L203 WeakPolarHBondContact CA-O 2.78Å
152	V	97.5	Very high	94	Very high	56 Å²	56	58.8 Å²	58.8	34%	0.339	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.6	174.8	179.7	0	0	0	0	109.5	I154 L163 V202 L203 A204 G205	V152-I154 HydrophobicContact CG1-CD1 3.9Å; V152-I154 HydrophobicContact CG1-CG1 4.32Å; V152-L163 HydrophobicContact CG1-CD2 4.1Å; V152-V202 HydrophobicContact CB-CG1 4.34Å; V152-V202 HydrophobicContact CG2-CG1 3.76Å; V152-L203 PolarHBondContact N-O 3.35Å; V152-A204 HydrophobicContact CB-CB 3.97Å; V152-A204 CarbonylContact O-C 3.54Å; V152-A204 WeakPolarHBondContact O-CA 3.37Å; V152-A204 WeakPolarHBondContact O-CB 3.49Å; V152-G205 PolarHBondContact O-N 2.97Å
153	H	96.2	Very high	94.3	Very high	44 Å²	44	59.1 Å²	59.1	20%	0.204	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.1	178.2	-63.3	-81.7	0	0	0	111.4	W142 E143 V151	W142-H153 AromaticContact CD2-CE1 3.72Å; W142-H153 AromaticContact CE3-CE1 3.86Å; W142-H153 AromaticContact CG-CE1 3.93Å; E143-H153 WeakPolarHBondContact CA-NE2 3.28Å; E143-H153 HydrophobicContact CB-CB 4.1Å; E143-H153 VanDerWaalsContact CB-CD2 3.41Å; E143-H153 WeakPolarHBondContact CB-CD2 3.24Å; E143-H153 VanDerWaalsContact CB-CG 3.48Å; E143-H153 IonicContact OE2-CG 3.21Å; V151-H153 PolarHBondContact O-CD2 2.96Å; V151-H153 PolarHBondContact O-N 3.33Å
154	I	96.3	Very high	94.6	Very high	14 Å²	14	56.8 Å²	56.8	7%	0.072	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.1	-176.9	-57.4	-65	0	0	0	110.1	V152 N156 D159 F160 L163 M173 G205 M206	V152-I154 HydrophobicContact CG1-CD1 3.9Å; V152-I154 HydrophobicContact CG1-CG1 4.32Å; I154-N156 WeakPolarHBondContact CG2-O 3.49Å; I154-D159 HydrophobicContact CD1-CB 4.49Å; I154-D159 HydrophobicContact CG2-CB 4.24Å; I154-F160 HydrophobicContact CG2-CB 3.74Å; I154-L163 HydrophobicContact CD1-CD2 3.92Å; I154-L163 HydrophobicContact CG1-CD2 4.1Å; I154-M173 HydrophobicContact CG1-CE 4.25Å; I154-G205 PolarHBondContact N-O 3.41Å; I154-M206 HydrophobicContact CB-CB 4.2Å; I154-M206 HydrophobicContact CB-CG 4.25Å; I154-M206 HydrophobicContact CG2-CE 4.45Å; I154-M206 HydrophobicContact CG2-CG 4.23Å; I154-M206 HydrophobicContact CG2-SD 3.96Å; I154-M206 WeakPolarHBondContact O-CG 3.49Å
155	D	90.3	Very high	94.8	Very high	80 Å²	80	63.9 Å²	63.9	43%	0.428	31%	0.314	S	S	.	.			trans	-112.5	-16.4	-169.2	-72.3	-12.6	0	0	0	114.4	K127	K127-D155 IonicContact NZ-OD1 2.73Å; K127-D155 PolarHBondContact NZ-OD1 2.6Å; K127-D155 IonicContact NZ-OD2 2.63Å; K127-D155 PolarHBondContact NZ-OD2 3.4Å
156	N	93.5	Very high	95	Very high	57 Å²	57	68.1 Å²	68.1	31%	0.305	33%	0.329	S	S	.	.	S	Bend	trans	-151.9	160.6	-177.1	62	77.3	0	0	0	110.7	I154 K158 D159 F160	I154-N156 WeakPolarHBondContact CG2-O 3.49Å; N156-K158 VanDerWaalsContact C-N 3.31Å; N156-K158 PolarHBondContact O-N 3.11Å; N156-K158 WeakPolarHBondContact OD1-CB 3.09Å; N156-K158 PolarHBondContact OD1-N 3.47Å; N156-D159 PolarHBondContact ND2-OD2 3.27Å; N156-D159 PolarHBondContact O-N 2.92Å; N156-D159 VanDerWaalsContact OD1-CG 3.3Å; N156-D159 PolarHBondContact OD1-N 3.49Å; N156-D159 PolarHBondContact OD1-OD2 3.3Å; N156-F160 PolarHBondContact O-N 3.28Å; N156-F160 VanDerWaalsContact O-N 3.12Å
157	E	94.9	Very high	95.3	Very high	60 Å²	60	65.3 Å²	65.3	28%	0.28	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-38.7	-178.3	-176	174.3	177.7	0	0	112.3	D159 F160 R161 I216	E157-D159 VanDerWaalsContact C-N 3.3Å; E157-D159 PolarHBondContact O-N 3.31Å; E157-F160 WeakPolarHBondContact O-CB 3.46Å; E157-F160 PolarHBondContact O-N 3.22Å; E157-R161 HydrophobicContact CG-CG 3.95Å; E157-R161 WeakPolarHBondContact O-CG 3.29Å; E157-R161 PolarHBondContact O-N 3.19Å; E157-R161 IonicContact OE1-CZ 2.76Å; E157-R161 IonicContact OE1-NE 3.78Å; E157-R161 PolarHBondContact OE1-NE 3.25Å; E157-R161 VanDerWaalsContact OE1-NE 3.08Å; E157-R161 IonicContact OE1-NH2 3.54Å; E157-R161 PolarHBondContact OE1-NH2 3.12Å; E157-I216 HydrophobicContact CB-CD1 4.04Å; E157-I216 HydrophobicContact CG-CD1 3.96Å; E157-I216 HydrophobicContact CG-CG1 4.36Å
158	K	96.1	Very high	95.4	Very high	159 Å²	159	72.2 Å²	72.2	69%	0.691	33%	0.331	S	S	*	.	H	α-helix	trans	-60.4	-41.4	-178.7	-178.8	-177.8	178.6	-178.9	0	111.8	N156 R162	N156-K158 VanDerWaalsContact C-N 3.31Å; N156-K158 PolarHBondContact O-N 3.11Å; N156-K158 WeakPolarHBondContact OD1-CB 3.09Å; N156-K158 PolarHBondContact OD1-N 3.47Å; K158-R162 VanDerWaalsContact O-CB 3.28Å; K158-R162 WeakPolarHBondContact O-CB 3.26Å; K158-R162 PolarHBondContact O-N 2.81Å
159	D	96.4	Very high	95.5	Very high	42 Å²	42	76.3 Å²	76.3	23%	0.225	35%	0.349	C	S	.	.	H	α-helix	trans	-71.8	-38.9	178.2	-67.9	-20.2	0	0	0	111.4	I154 N156 E157 R162 L163	I154-D159 HydrophobicContact CD1-CB 4.49Å; I154-D159 HydrophobicContact CG2-CB 4.24Å; N156-D159 PolarHBondContact ND2-OD2 3.27Å; N156-D159 PolarHBondContact O-N 2.92Å; N156-D159 VanDerWaalsContact OD1-CG 3.3Å; N156-D159 PolarHBondContact OD1-N 3.49Å; N156-D159 PolarHBondContact OD1-OD2 3.3Å; E157-D159 VanDerWaalsContact C-N 3.3Å; E157-D159 PolarHBondContact O-N 3.31Å; D159-R162 VanDerWaalsContact CG-NH2 3.33Å; D159-R162 PolarHBondContact O-N 2.81Å; D159-R162 IonicContact OD1-CZ 3.75Å; D159-R162 IonicContact OD1-NH1 3.01Å; D159-R162 PolarHBondContact OD1-NH1 3.05Å; D159-R162 IonicContact OD1-NH2 3.96Å; D159-R162 PolarHBondContact OD1-NH2 3.04Å; D159-R162 IonicContact OD2-NH2 2.69Å; D159-L163 WeakPolarHBondContact O-CB 3.49Å; D159-L163 PolarHBondContact O-N 3.06Å
160	F	97.3	Very high	95.6	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-56.7	-53.7	171.4	174	-121.9	0	0	0	111.8	I154 N156 E157 R162 L163 L164 M173 F175 M206 I216 Y220 F231	I154-F160 HydrophobicContact CG2-CB 3.74Å; N156-F160 PolarHBondContact O-N 3.28Å; N156-F160 VanDerWaalsContact O-N 3.12Å; E157-F160 WeakPolarHBondContact O-CB 3.46Å; E157-F160 PolarHBondContact O-N 3.22Å; F160-R162 VanDerWaalsContact C-N 3.29Å; F160-R162 PolarHBondContact O-N 2.81Å; F160-L163 WeakPolarHBondContact O-CB 3.47Å; F160-L163 PolarHBondContact O-N 3.2Å; F160-L163 VanDerWaalsContact O-N 3.14Å; F160-L164 HydrophobicContact CD2-CG 4.34Å; F160-L164 HydrophobicContact CE1-CD1 3.85Å; F160-L164 HydrophobicContact CE2-CD1 3.85Å; F160-L164 HydrophobicContact CE2-CD2 4.08Å; F160-L164 HydrophobicContact CE2-CG 3.91Å; F160-L164 HydrophobicContact CZ-CD1 3.48Å; F160-L164 VanDerWaalsContact CZ-CD1 3.48Å; F160-L164 HydrophobicContact CZ-CD2 4.46Å; F160-L164 HydrophobicContact CZ-CG 4.09Å; F160-L164 PolarHBondContact O-N 2.96Å; F160-M173 HydrophobicContact CD2-CE 3.66Å; F160-M173 HydrophobicContact CE2-CE 3.73Å; F160-M173 HydrophobicContact CE2-CG 4.18Å; F160-F175 HydrophobicContact CE1-CZ 4.47Å; F160-F175 HydrophobicContact CE2-CE1 4.42Å; F160-F175 HydrophobicContact CE2-CZ 4.21Å; F160-F175 HydrophobicContact CZ-CE1 4.43Å; F160-F175 AromaticContact CZ-CZ 3.88Å; F160-F175 HydrophobicContact CZ-CZ 3.88Å; F160-M206 HydrophobicContact CB-SD 4.02Å; F160-M206 HydrophobicContact CG-SD 4.17Å; F160-I216 HydrophobicContact CD1-CD1 4.17Å; F160-Y220 AromaticContact CE1-CE2 3.48Å; F160-Y220 HydrophobicContact CE1-CE2 3.48Å; F160-Y220 VanDerWaalsContact CE1-CE2 3.48Å; F160-Y220 AromaticContact CE1-CZ 3.75Å; F160-Y220 AromaticContact CZ-CE2 3.7Å; F160-Y220 HydrophobicContact CZ-CE2 3.7Å; F160-Y220 AromaticContact CZ-CZ 3.77Å; F160-F231 HydrophobicContact CE2-CZ 4.38Å; F160-F231 HydrophobicContact CZ-CE1 4.38Å; F160-F231 AromaticContact CZ-CZ 3.96Å; F160-F231 HydrophobicContact CZ-CZ 3.96Å
161	R	96.1	Very high	95.6	Very high	86 Å²	86	69.2 Å²	69.2	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-38.4	178.2	-60.8	-72.3	-173.9	-169.4	1.8	111.7	E157 K165 E219 Y220	E157-R161 HydrophobicContact CG-CG 3.95Å; E157-R161 WeakPolarHBondContact O-CG 3.29Å; E157-R161 PolarHBondContact O-N 3.19Å; E157-R161 IonicContact OE1-CZ 2.76Å; E157-R161 IonicContact OE1-NE 3.78Å; E157-R161 PolarHBondContact OE1-NE 3.25Å; E157-R161 VanDerWaalsContact OE1-NE 3.08Å; E157-R161 IonicContact OE1-NH2 3.54Å; E157-R161 PolarHBondContact OE1-NH2 3.12Å; R161-K165 WeakPolarHBondContact O-CB 3.49Å; R161-K165 PolarHBondContact O-N 3.35Å; R161-E219 IonicContact CZ-OE1 3.86Å; R161-E219 IonicContact CZ-OE2 2.72Å; R161-E219 IonicContact NH1-OE1 2.77Å; R161-E219 PolarHBondContact NH1-OE1 3.28Å; R161-E219 IonicContact NH1-OE2 3.04Å; R161-E219 PolarHBondContact NH1-OE2 3.21Å; R161-E219 IonicContact NH2-OE1 2.66Å; R161-E219 IonicContact NH2-OE2 2.9Å; R161-E219 PolarHBondContact NH2-OE2 3.2Å; R161-Y220 PolarHBondContact NH1-OH 3Å
162	R	96.8	Very high	95.6	Very high	114 Å²	114	68.9 Å²	68.9	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-41.2	176.1	-177.5	174.5	69.5	-124.2	0.8	111.7	K158 D159 F160 K165 K166	K158-R162 VanDerWaalsContact O-CB 3.28Å; K158-R162 WeakPolarHBondContact O-CB 3.26Å; K158-R162 PolarHBondContact O-N 2.81Å; D159-R162 VanDerWaalsContact CG-NH2 3.33Å; D159-R162 PolarHBondContact O-N 2.81Å; D159-R162 IonicContact OD1-CZ 3.75Å; D159-R162 IonicContact OD1-NH1 3.01Å; D159-R162 PolarHBondContact OD1-NH1 3.05Å; D159-R162 IonicContact OD1-NH2 3.96Å; D159-R162 PolarHBondContact OD1-NH2 3.04Å; D159-R162 IonicContact OD2-NH2 2.69Å; F160-R162 VanDerWaalsContact C-N 3.29Å; F160-R162 PolarHBondContact O-N 2.81Å; R162-K165 PolarHBondContact O-N 2.8Å; R162-K166 HydrophobicContact CG-CD 4Å; R162-K166 HydrophobicContact CG-CG 4.37Å; R162-K166 WeakPolarHBondContact O-CB 3.48Å; R162-K166 WeakPolarHBondContact O-CG 3.42Å; R162-K166 PolarHBondContact O-N 2.94Å
163	L	96.6	Very high	95.7	Very high	25 Å²	25	66.2 Å²	66.2	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-52.4	176.2	-179.8	64.5	0	0	0	110	V152 I154 D159 F160 K165 K166 E167 L171 M173 A204	V152-L163 HydrophobicContact CG1-CD2 4.1Å; I154-L163 HydrophobicContact CD1-CD2 3.92Å; I154-L163 HydrophobicContact CG1-CD2 4.1Å; D159-L163 WeakPolarHBondContact O-CB 3.49Å; D159-L163 PolarHBondContact O-N 3.06Å; F160-L163 WeakPolarHBondContact O-CB 3.47Å; F160-L163 PolarHBondContact O-N 3.2Å; F160-L163 VanDerWaalsContact O-N 3.14Å; L163-K165 VanDerWaalsContact C-N 3.26Å; L163-K165 PolarHBondContact O-N 3.47Å; L163-K166 PolarHBondContact O-N 2.98Å; L163-E167 HydrophobicContact CD1-CB 4.21Å; L163-E167 VanDerWaalsContact O-CB 3.22Å; L163-E167 WeakPolarHBondContact O-CB 3.26Å; L163-E167 PolarHBondContact O-N 3.34Å; L163-L171 HydrophobicContact CD1-CD1 4.27Å; L163-L171 HydrophobicContact CD2-CD1 3.47Å; L163-L171 VanDerWaalsContact CD2-CD1 3.47Å; L163-L171 HydrophobicContact CG-CD1 3.67Å; L163-M173 HydrophobicContact CD2-CE 4.18Å; L163-A204 HydrophobicContact CD2-CB 4.13Å
164	L	96.3	Very high	95.7	Very high	15 Å²	15	64.1 Å²	64.1	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-57	-38.9	177.6	-66	-173.1	0	0	0	112.7	F160 L171 F231 G234	F160-L164 HydrophobicContact CD2-CG 4.34Å; F160-L164 HydrophobicContact CE1-CD1 3.85Å; F160-L164 HydrophobicContact CE2-CD1 3.85Å; F160-L164 HydrophobicContact CE2-CD2 4.08Å; F160-L164 HydrophobicContact CE2-CG 3.91Å; F160-L164 HydrophobicContact CZ-CD1 3.48Å; F160-L164 VanDerWaalsContact CZ-CD1 3.48Å; F160-L164 HydrophobicContact CZ-CD2 4.46Å; F160-L164 HydrophobicContact CZ-CG 4.09Å; F160-L164 PolarHBondContact O-N 2.96Å; L164-L171 HydrophobicContact CD2-CD2 4.36Å; L164-F231 HydrophobicContact CD1-CD1 4.01Å; L164-F231 HydrophobicContact CD1-CE1 3.66Å; L164-F231 HydrophobicContact CD1-CZ 4.39Å; L164-F231 HydrophobicContact CD2-CB 4.18Å; L164-F231 HydrophobicContact CD2-CD1 3.44Å; L164-F231 VanDerWaalsContact CD2-CD1 3.44Å; L164-F231 HydrophobicContact CD2-CD2 4.24Å; L164-F231 HydrophobicContact CD2-CE1 3.79Å; L164-F231 HydrophobicContact CD2-CG 3.71Å; L164-F231 HydrophobicContact CD2-CZ 4.33Å; L164-F231 HydrophobicContact CG-CD1 4.37Å; L164-F231 HydrophobicContact CG-CE1 4.39Å; L164-G234 WeakPolarHBondContact O-CA 3.42Å
165	K	95.7	Very high	95.8	Very high	189 Å²	189	63.4 Å²	63.4	82%	0.822	29%	0.288	S	S	*	.	H	α-helix	trans	-72	-33.7	-179.5	-176.3	173.2	179.2	175.6	0	113.8	R161 R162 L163	R161-K165 WeakPolarHBondContact O-CB 3.49Å; R161-K165 PolarHBondContact O-N 3.35Å; R162-K165 PolarHBondContact O-N 2.8Å; L163-K165 VanDerWaalsContact C-N 3.26Å; L163-K165 PolarHBondContact O-N 3.47Å
166	K	94.3	Very high	96	Very high	156 Å²	156	60.6 Å²	60.6	68%	0.678	27%	0.272	S	S	*	.	H	α-helix	trans	-99.5	-26.4	-170.9	-72.3	-169.1	174.2	-167.6	0	113.8	R162 L163 E168	R162-K166 HydrophobicContact CG-CD 4Å; R162-K166 HydrophobicContact CG-CG 4.37Å; R162-K166 WeakPolarHBondContact O-CB 3.48Å; R162-K166 WeakPolarHBondContact O-CG 3.42Å; R162-K166 PolarHBondContact O-N 2.94Å; L163-K166 PolarHBondContact O-N 2.98Å; K166-E168 PolarHBondContact O-N 2.86Å
167	E	94	Very high	95.9	Very high	51 Å²	51	57.9 Å²	57.9	24%	0.238	26%	0.257	C	S	.	.			trans	-78.7	118.7	-175.7	-170.9	53.4	-105.8	0	0	110.2	L163 K169 V202	L163-E167 HydrophobicContact CD1-CB 4.21Å; L163-E167 VanDerWaalsContact O-CB 3.22Å; L163-E167 WeakPolarHBondContact O-CB 3.26Å; L163-E167 PolarHBondContact O-N 3.34Å; E167-K169 HydrophobicContact CG-CB 4.29Å; E167-K169 VanDerWaalsContact OE1-CB 3.31Å; E167-K169 WeakPolarHBondContact OE1-CB 3.33Å; E167-K169 WeakPolarHBondContact OE1-CG 3.36Å; E167-K169 PolarHBondContact OE1-N 2.86Å; E167-V202 HydrophobicContact CG-CB 4.38Å; E167-V202 HydrophobicContact CG-CG2 3.76Å
168	E	93.2	Very high	95.4	Very high	175 Å²	175	58 Å²	58	82%	0.818	26%	0.263	S	S	*	.			trans	-85.9	-24.8	177.5	-64.8	-174.6	167.5	0	0	111.3	K166	K166-E168 PolarHBondContact O-N 2.86Å
169	K	95.5	Very high	94.6	Very high	87 Å²	87	57 Å²	57	38%	0.378	26%	0.255	S	S	.	.	S	Bend	trans	-75.4	151.2	179.1	-61.4	174.7	-168.4	-174.5	0	110.7	E167 G199 V202	E167-K169 HydrophobicContact CG-CB 4.29Å; E167-K169 VanDerWaalsContact OE1-CB 3.31Å; E167-K169 WeakPolarHBondContact OE1-CB 3.33Å; E167-K169 WeakPolarHBondContact OE1-CG 3.36Å; E167-K169 PolarHBondContact OE1-N 2.86Å; K169-G199 WeakPolarHBondContact CD-O 3.42Å; K169-G199 VanDerWaalsContact CE-O 3.25Å; K169-G199 WeakPolarHBondContact CE-O 3.3Å; K169-G199 PolarHBondContact NZ-O 2.86Å; K169-V202 HydrophobicContact CB-CG2 4.32Å
170	P	96.7	Very high	94	Very high	31 Å²	31	55.4 Å²	55.4	20%	0.201	25%	0.247	C	C	.	.			trans	-63	142.8	171.5	-16.3	29.2	0	0	0	111.3	F201 V202 Y230 F231 E232	P170-F201 HydrophobicContact CB-CD1 3.76Å; P170-F201 HydrophobicContact CB-CE1 3.93Å; P170-F201 HydrophobicContact CG-CD1 4.11Å; P170-F201 HydrophobicContact CG-CE1 3.96Å; P170-F201 WeakPolarHBondContact O-CA 3.45Å; P170-V202 PolarHBondContact O-N 3.2Å; P170-Y230 HydrophobicContact CB-CE2 3.8Å; P170-Y230 WeakPolarHBondContact CB-OH 3.27Å; P170-F231 WeakPolarHBondContact CA-O 3.29Å; P170-E232 HydrophobicContact CB-CG 4.04Å; P170-E232 HydrophobicContact CG-CG 4.37Å
171	L	97.3	Very high	93.3	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.7	-169.4	176.4	150.8	0	0	0	110.9	L163 L164 M173 V202 A204 Y230 F231	L163-L171 HydrophobicContact CD1-CD1 4.27Å; L163-L171 HydrophobicContact CD2-CD1 3.47Å; L163-L171 VanDerWaalsContact CD2-CD1 3.47Å; L163-L171 HydrophobicContact CG-CD1 3.67Å; L164-L171 HydrophobicContact CD2-CD2 4.36Å; L171-M173 HydrophobicContact CD2-CB 3.76Å; L171-M173 HydrophobicContact CD2-CE 4.32Å; L171-V202 CarbonylContact C-O 3.48Å; L171-V202 VanDerWaalsContact CA-O 3.23Å; L171-V202 WeakPolarHBondContact CA-O 3.41Å; L171-V202 HydrophobicContact CB-CB 4.24Å; L171-V202 HydrophobicContact CD1-CB 4.14Å; L171-V202 HydrophobicContact CD1-CG1 3.79Å; L171-V202 HydrophobicContact CG-CB 4.21Å; L171-V202 HydrophobicContact CG-CG1 4.19Å; L171-A204 HydrophobicContact CD1-CB 4.43Å; L171-Y230 WeakPolarHBondContact O-CA 3.09Å; L171-Y230 WeakPolarHBondContact O-CD2 3.39Å; L171-F231 HydrophobicContact CB-CB 4.28Å; L171-F231 HydrophobicContact CD2-CB 4.22Å; L171-F231 HydrophobicContact CD2-CD2 3.64Å; L171-F231 HydrophobicContact CD2-CE2 4.35Å; L171-F231 HydrophobicContact CD2-CG 4.19Å; L171-F231 PolarHBondContact N-O 2.74Å; L171-F231 PolarHBondContact O-N 2.98Å
172	L	97.5	Very high	92.8	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.5	171.8	-166.8	67.4	0	0	0	108.7	F190 V202 L203 A204 I228 Y230 I250 W253 L254	L172-F190 HydrophobicContact CD2-CE2 3.82Å; L172-F190 HydrophobicContact CD2-CZ 4.45Å; L172-F190 HydrophobicContact CG-CE2 4.13Å; L172-F190 HydrophobicContact CG-CZ 4.43Å; L172-V202 PolarHBondContact N-O 3.06Å; L172-L203 HydrophobicContact CB-CD1 4.23Å; L172-L203 HydrophobicContact CB-CG 4.16Å; L172-L203 HydrophobicContact CD2-CG 4.43Å; L172-L203 WeakPolarHBondContact O-CA 3.32Å; L172-A204 PolarHBondContact O-N 3.19Å; L172-I228 HydrophobicContact CD1-CG2 3.52Å; L172-I228 HydrophobicContact CD2-CG2 4.08Å; L172-I228 HydrophobicContact CG-CG2 3.56Å; L172-Y230 HydrophobicContact CD1-CD2 4.2Å; L172-I250 HydrophobicContact CD2-CG2 3.98Å; L172-W253 HydrophobicContact CD1-CH2 4.32Å; L172-W253 HydrophobicContact CD1-CZ3 3.9Å; L172-L254 HydrophobicContact CB-CD2 4.38Å; L172-L254 HydrophobicContact CD2-CD2 4.38Å
173	M	97.9	Very high	92.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121	-178.5	179.8	55.1	69.9	0	0	110.4	I154 F160 L163 L171 F175 A204 M206 I228 C229 F231	I154-M173 HydrophobicContact CG1-CE 4.25Å; F160-M173 HydrophobicContact CD2-CE 3.66Å; F160-M173 HydrophobicContact CE2-CE 3.73Å; F160-M173 HydrophobicContact CE2-CG 4.18Å; L163-M173 HydrophobicContact CD2-CE 4.18Å; L171-M173 HydrophobicContact CD2-CB 3.76Å; L171-M173 HydrophobicContact CD2-CE 4.32Å; M173-F175 HydrophobicContact CG-CD1 3.96Å; M173-F175 HydrophobicContact CG-CE1 3.55Å; M173-F175 HydrophobicContact CG-CE2 4.34Å; M173-F175 HydrophobicContact CG-CZ 3.77Å; M173-F175 HydrophobicContact SD-CE1 4.25Å; M173-A204 HydrophobicContact CE-CB 3.37Å; M173-A204 HydrophobicContact SD-CB 3.85Å; M173-M206 HydrophobicContact SD-CB 3.98Å; M173-I228 CarbonylContact O-C 3.5Å; M173-I228 VanDerWaalsContact O-CA 3.29Å; M173-I228 WeakPolarHBondContact O-CA 3.39Å; M173-C229 PolarHBondContact N-O 3.35Å; M173-C229 PolarHBondContact O-N 3Å; M173-F231 HydrophobicContact CB-CD2 4.23Å; M173-F231 HydrophobicContact CB-CE2 3.76Å
174	M	97.9	Very high	92.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.2	169.2	-178.8	167.7	60.2	0	0	111	W142 I186 M187 F190 A204 G205 M206 P226 I228	W142-M174 HydrophobicContact CE3-CE 4.23Å; W142-M174 HydrophobicContact CH2-CE 3.07Å; W142-M174 HydrophobicContact CZ2-CE 3.81Å; W142-M174 HydrophobicContact CZ3-CE 3.28Å; M174-I186 HydrophobicContact SD-CG2 3.69Å; M174-M187 HydrophobicContact CE-CE 4.47Å; M174-M187 HydrophobicContact CE-CG 3.84Å; M174-F190 HydrophobicContact CB-CE1 4.38Å; M174-F190 HydrophobicContact CB-CE2 4.13Å; M174-F190 HydrophobicContact CB-CZ 3.94Å; M174-F190 HydrophobicContact CE-CD1 4.37Å; M174-F190 HydrophobicContact CE-CG 4.32Å; M174-A204 PolarHBondContact N-O 2.69Å; M174-G205 WeakPolarHBondContact O-CA 3.41Å; M174-M206 PolarHBondContact O-N 2.83Å; M174-P226 HydrophobicContact CG-CB 3.97Å; M174-P226 HydrophobicContact SD-CB 3.91Å; M174-I228 HydrophobicContact CB-CG1 4.11Å; M174-I228 HydrophobicContact CG-CD1 4.41Å; M174-I228 HydrophobicContact CG-CG1 3.93Å; M174-I228 HydrophobicContact SD-CD1 4.26Å; M174-I228 HydrophobicContact SD-CG1 4.4Å
175	F	97.8	Very high	91.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.1	165.8	-64.9	-45.4	0	0	0	110.2	F160 M173 M206 I208 I216 Y220 V222 P226 T227 C229	F160-F175 HydrophobicContact CE1-CZ 4.47Å; F160-F175 HydrophobicContact CE2-CE1 4.42Å; F160-F175 HydrophobicContact CE2-CZ 4.21Å; F160-F175 HydrophobicContact CZ-CE1 4.43Å; F160-F175 AromaticContact CZ-CZ 3.88Å; F160-F175 HydrophobicContact CZ-CZ 3.88Å; M173-F175 HydrophobicContact CG-CD1 3.96Å; M173-F175 HydrophobicContact CG-CE1 3.55Å; M173-F175 HydrophobicContact CG-CE2 4.34Å; M173-F175 HydrophobicContact CG-CZ 3.77Å; M173-F175 HydrophobicContact SD-CE1 4.25Å; F175-M206 WeakPolarHBondContact CA-O 3.2Å; F175-M206 HydrophobicContact CD1-CB 4.05Å; F175-M206 HydrophobicContact CE1-CB 4.25Å; F175-M206 HydrophobicContact CE1-SD 4.12Å; F175-I208 HydrophobicContact CB-CD1 3.51Å; F175-I208 HydrophobicContact CB-CG1 3.91Å; F175-I208 HydrophobicContact CD1-CD1 3.88Å; F175-I208 HydrophobicContact CD1-CG1 4.34Å; F175-I208 HydrophobicContact CD1-CG2 3.73Å; F175-I208 HydrophobicContact CD2-CD1 4.2Å; F175-I208 HydrophobicContact CE1-CG2 4.21Å; F175-I208 HydrophobicContact CG-CD1 3.61Å; F175-I208 HydrophobicContact CG-CG1 4.31Å; F175-I216 HydrophobicContact CE1-CG2 3.87Å; F175-I216 HydrophobicContact CE2-CG2 4.28Å; F175-I216 HydrophobicContact CZ-CG2 3.71Å; F175-Y220 AromaticContact CE2-CD2 3.72Å; F175-Y220 HydrophobicContact CE2-CD2 3.72Å; F175-Y220 AromaticContact CE2-CG 3.86Å; F175-Y220 HydrophobicContact CE2-CG 3.86Å; F175-Y220 AromaticContact CZ-CD2 3.78Å; F175-Y220 HydrophobicContact CZ-CD2 3.78Å; F175-Y220 HydrophobicContact CZ-CE2 4.24Å; F175-Y220 HydrophobicContact CZ-CG 4.32Å; F175-V222 HydrophobicContact CD2-CG2 3.73Å; F175-V222 HydrophobicContact CE2-CG2 4.36Å; F175-V222 HydrophobicContact CG-CG2 4.4Å; F175-P226 WeakPolarHBondContact O-CA 3.49Å; F175-T227 WeakPolarHBondContact CB-O 3.33Å; F175-T227 PolarHBondContact N-O 2.88Å; F175-T227 PolarHBondContact O-N 3.2Å; F175-C229 HydrophobicContact CE2-CB 4.43Å
176	Y	95.1	Very high	91.7	Very high	20 Å²	20	55.4 Å²	55.4	8%	0.078	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	170.1	-173.1	74.4	-85.1	0	0	0	113.4	W142 M187 M206 N207 I208	W142-Y176 HydrophobicContact CE3-CD1 4.15Å; W142-Y176 AromaticContact CE3-CE1 3.63Å; W142-Y176 HydrophobicContact CE3-CE1 3.63Å; W142-Y176 AromaticContact CE3-CZ 3.86Å; W142-Y176 HydrophobicContact CZ3-CD1 4.14Å; W142-Y176 AromaticContact CZ3-CE1 3.94Å; W142-Y176 HydrophobicContact CZ3-CE1 3.94Å; Y176-M187 HydrophobicContact CD1-CE 4.35Å; Y176-M187 HydrophobicContact CD2-CE 3.35Å; Y176-M187 HydrophobicContact CE2-CE 3.62Å; Y176-M187 HydrophobicContact CG-CE 3.76Å; Y176-M206 VanDerWaalsContact CD1-C 3.49Å; Y176-M206 VanDerWaalsContact CD1-O 3.26Å; Y176-M206 WeakPolarHBondContact CD1-O 3.45Å; Y176-M206 PolarHBondContact N-O 3.35Å; Y176-N207 HydrophobicContact CE1-CB 4.16Å; Y176-N207 HydrophobicContact CE2-CB 3.96Å; Y176-N207 WeakPolarHBondContact O-CA 3.36Å; Y176-N207 PolarHBondContact O-OD1 2.8Å; Y176-I208 PolarHBondContact O-N 3.13Å
177	A	89.8	Confident	91.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.			trans	-126.4	143.8	169.8	0	0	0	0	0	110.5	W179 C180 Y209 Y225	A177-W179 VanDerWaalsContact C-N 3.25Å; A177-W179 HydrophobicContact CB-CD2 4.18Å; A177-W179 HydrophobicContact CB-CZ2 3.91Å; A177-W179 PolarHBondContact O-N 2.81Å; A177-C180 HydrophobicContact CB-CB 4.15Å; A177-C180 VanDerWaalsContact O-CB 3.29Å; A177-C180 WeakPolarHBondContact O-CB 3.22Å; A177-C180 PolarHBondContact O-N 2.84Å; A177-C180 VanDerWaalsContact O-N 3.15Å; A177-Y209 HydrophobicContact CB-CD2 4.27Å; A177-Y209 HydrophobicContact CB-CG 4.27Å; A177-Y225 HydrophobicContact CB-CD1 4.35Å; A177-Y225 HydrophobicContact CB-CD2 3.8Å; A177-Y225 HydrophobicContact CB-CE2 4.08Å; A177-Y225 HydrophobicContact CB-CG 3.94Å
178	P	84.6	Confident	91.8	Very high	62 Å²	62	49.7 Å²	49.7	40%	0.403	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.3	-176.1	-24.5	35	0	0	0	114.8	K184 N207	P178-K184 WeakPolarHBondContact O-CE 3.49Å; P178-K184 PolarHBondContact O-NZ 2.91Å; P178-N207 WeakPolarHBondContact CD-OD1 3.42Å
179	W	79.5	Confident	91.9	Very high	140 Å²	140	44.8 Å²	44.8	53%	0.53	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-8.1	179.2	50	-100.5	0	0	0	113.3	A177 S181 Y209 Y225	A177-W179 VanDerWaalsContact C-N 3.25Å; A177-W179 HydrophobicContact CB-CD2 4.18Å; A177-W179 HydrophobicContact CB-CZ2 3.91Å; A177-W179 PolarHBondContact O-N 2.81Å; W179-S181 PolarHBondContact O-N 3.34Å; W179-Y209 AromaticContact CE2-CD2 3.65Å; W179-Y209 AromaticContact CE2-CE2 3.56Å; W179-Y209 AromaticContact CZ2-CD2 3.6Å; W179-Y209 HydrophobicContact CZ2-CD2 3.6Å; W179-Y209 AromaticContact CZ2-CE2 3.55Å; W179-Y209 HydrophobicContact CZ2-CE2 3.55Å; W179-Y209 AromaticContact NE1-CD1 3.8Å; W179-Y209 AromaticContact NE1-CD2 3.12Å; W179-Y209 AromaticContact NE1-CE1 3.72Å; W179-Y209 AromaticContact NE1-CE2 3.03Å; W179-Y209 AromaticContact NE1-CG 3.51Å; W179-Y209 AromaticContact NE1-CZ 3.35Å; W179-Y209 VanDerWaalsContact NE1-CZ 3.35Å; W179-Y225 AromaticContact CH2-CD2 3.91Å; W179-Y225 HydrophobicContact CH2-CD2 3.91Å; W179-Y225 HydrophobicContact CH2-CE2 4.25Å; W179-Y225 HydrophobicContact CZ2-CD2 4.09Å; W179-Y225 HydrophobicContact CZ2-CE2 4.08Å
180	C	83.9	Confident	92	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.047	20%	0.2	C	C	.	.			trans	-73.5	112.6	-175.1	162	0	0	0	0	111.9	A177 M182 C183 K184 Y225	A177-C180 HydrophobicContact CB-CB 4.15Å; A177-C180 VanDerWaalsContact O-CB 3.29Å; A177-C180 WeakPolarHBondContact O-CB 3.22Å; A177-C180 PolarHBondContact O-N 2.84Å; A177-C180 VanDerWaalsContact O-N 3.15Å; C180-M182 VanDerWaalsContact C-N 3.32Å; C180-M182 PolarHBondContact O-N 2.89Å; C180-C183 HydrophobicContact CB-CB 3.69Å; C180-C183 WeakPolarHBondContact CB-SG 3.43Å; C180-C183 WeakPolarHBondContact O-CB 3.27Å; C180-C183 PolarHBondContact O-N 3.4Å; C180-C183 WeakPolarHBondContact SG-CB 3.48Å; C180-C183 PolarHBondContact SG-N 3.36Å; C180-C183 CovalentContact SG-SG 2.06Å; C180-C183 PolarHBondContact SG-SG 3.06Å; C180-K184 WeakPolarHBondContact O-CG 3.48Å; C180-K184 PolarHBondContact O-N 3.14Å; C180-K184 VanDerWaalsContact O-N 3.12Å; C180-Y225 PolarHBondContact SG-O 2.85Å
181	S	84.1	Confident	92	Very high	91 Å²	91	39.8 Å²	39.8	64%	0.636	19%	0.193	S	C	*	.	H	α-helix	trans	-62.1	-36.6	-180	-60.6	0	0	0	0	113.3	W179 K184 R185	W179-S181 PolarHBondContact O-N 3.34Å; S181-K184 PolarHBondContact O-N 2.86Å; S181-R185 PolarHBondContact O-N 3.2Å; S181-R185 VanDerWaalsContact O-N 3.16Å
182	M	84.5	Confident	92	Very high	58 Å²	58	44.5 Å²	44.5	29%	0.286	21%	0.214	S	C	.	.	H	α-helix	trans	-69.3	-40.1	178.8	-167.3	60.3	-173.3	0	0	111.6	C180 K184 R185 I186 P226 Y243	C180-M182 VanDerWaalsContact C-N 3.32Å; C180-M182 PolarHBondContact O-N 2.89Å; M182-K184 PolarHBondContact O-N 3.07Å; M182-R185 WeakPolarHBondContact O-CB 3.36Å; M182-R185 PolarHBondContact O-N 3.12Å; M182-R185 VanDerWaalsContact O-N 3.1Å; M182-I186 PolarHBondContact O-N 2.96Å; M182-P226 HydrophobicContact CG-CG 4.46Å; M182-Y243 VanDerWaalsContact CE-CB 3.41Å; M182-Y243 WeakPolarHBondContact CE-O 3.37Å
183	C	91.1	Very high	92	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-48.9	174.6	-51.7	0	0	0	0	110.6	C180 R185 I186 M187 P226	C180-C183 HydrophobicContact CB-CB 3.69Å; C180-C183 WeakPolarHBondContact CB-SG 3.43Å; C180-C183 WeakPolarHBondContact O-CB 3.27Å; C180-C183 PolarHBondContact O-N 3.4Å; C180-C183 WeakPolarHBondContact SG-CB 3.48Å; C180-C183 PolarHBondContact SG-N 3.36Å; C180-C183 CovalentContact SG-SG 2.06Å; C180-C183 PolarHBondContact SG-SG 3.06Å; C183-R185 PolarHBondContact O-N 3.4Å; C183-I186 WeakPolarHBondContact O-CG2 3.39Å; C183-I186 PolarHBondContact O-N 3.4Å; C183-M187 HydrophobicContact CB-CE 4.34Å; C183-M187 WeakPolarHBondContact O-CB 3.31Å; C183-M187 WeakPolarHBondContact O-CG 3.39Å; C183-M187 PolarHBondContact O-N 3.45Å; C183-P226 VanDerWaalsContact SG-N 3.35Å
184	K	89.6	Confident	92	Very high	104 Å²	104	44.7 Å²	44.7	45%	0.452	22%	0.215	S	C	.	.	H	α-helix	trans	-59.2	-33.2	176.3	-67.9	174.7	-175.4	176.3	0	112.9	P178 C180 S181 M182 P188	P178-K184 WeakPolarHBondContact O-CE 3.49Å; P178-K184 PolarHBondContact O-NZ 2.91Å; C180-K184 WeakPolarHBondContact O-CG 3.48Å; C180-K184 PolarHBondContact O-N 3.14Å; C180-K184 VanDerWaalsContact O-N 3.12Å; S181-K184 PolarHBondContact O-N 2.86Å; M182-K184 PolarHBondContact O-N 3.07Å; K184-P188 WeakPolarHBondContact O-CD 3.26Å
185	R	89.1	Confident	92	Very high	174 Å²	174	47.6 Å²	47.6	66%	0.657	23%	0.233	S	C	*	.	H	α-helix	trans	-72.2	-41.4	179	-170.1	-177.9	-57.6	-160.1	1.7	112.4	S181 M182 C183	S181-R185 PolarHBondContact O-N 3.2Å; S181-R185 VanDerWaalsContact O-N 3.16Å; M182-R185 WeakPolarHBondContact O-CB 3.36Å; M182-R185 PolarHBondContact O-N 3.12Å; M182-R185 VanDerWaalsContact O-N 3.1Å; C183-R185 PolarHBondContact O-N 3.4Å
186	I	93.2	Very high	92	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-81.7	-26.9	-178	-165.7	166.6	0	0	0	113	M174 M182 C183 H189 F190 P226 I228	M174-I186 HydrophobicContact SD-CG2 3.69Å; M182-I186 PolarHBondContact O-N 2.96Å; C183-I186 WeakPolarHBondContact O-CG2 3.39Å; C183-I186 PolarHBondContact O-N 3.4Å; I186-H189 WeakPolarHBondContact O-CB 3.49Å; I186-H189 PolarHBondContact O-N 3.39Å; I186-F190 PolarHBondContact O-N 2.89Å; I186-P226 HydrophobicContact CG2-CG 4.22Å; I186-I228 HydrophobicContact CD1-CD1 3.75Å
187	M	94.9	Very high	92.1	Very high	21 Å²	21	51.4 Å²	51.4	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-47.4	-49.5	-178.3	-83.4	168.1	177.4	0	0	114	W142 M174 Y176 C183 H189 F190 Q191	W142-M187 HydrophobicContact CB-CE 4.36Å; W142-M187 HydrophobicContact CB-SD 4.49Å; W142-M187 HydrophobicContact CD2-CE 3.83Å; W142-M187 HydrophobicContact CD2-CG 3.85Å; W142-M187 HydrophobicContact CD2-SD 3.99Å; W142-M187 HydrophobicContact CE3-CE 3.78Å; W142-M187 HydrophobicContact CE3-CG 4.33Å; W142-M187 HydrophobicContact CG-CE 4.07Å; W142-M187 HydrophobicContact CG-CG 4.29Å; W142-M187 HydrophobicContact CG-SD 3.93Å; W142-M187 HydrophobicContact CH2-CG 4.34Å; W142-M187 HydrophobicContact CZ2-CB 4.2Å; W142-M187 HydrophobicContact CZ2-CG 3.82Å; W142-M187 HydrophobicContact CZ3-CE 4.41Å; M174-M187 HydrophobicContact CE-CE 4.47Å; M174-M187 HydrophobicContact CE-CG 3.84Å; Y176-M187 HydrophobicContact CD1-CE 4.35Å; Y176-M187 HydrophobicContact CD2-CE 3.35Å; Y176-M187 HydrophobicContact CE2-CE 3.62Å; Y176-M187 HydrophobicContact CG-CE 3.76Å; C183-M187 HydrophobicContact CB-CE 4.34Å; C183-M187 WeakPolarHBondContact O-CB 3.31Å; C183-M187 WeakPolarHBondContact O-CG 3.39Å; C183-M187 PolarHBondContact O-N 3.45Å; M187-H189 VanDerWaalsContact C-N 3.32Å; M187-H189 PolarHBondContact O-N 2.89Å; M187-F190 WeakPolarHBondContact O-CB 3.31Å; M187-F190 PolarHBondContact O-N 3.41Å; M187-Q191 WeakPolarHBondContact O-CB 3.23Å; M187-Q191 WeakPolarHBondContact O-CG 3.28Å; M187-Q191 PolarHBondContact O-N 3.2Å
188	P	94.8	Very high	92.4	Very high	67 Å²	67	59.4 Å²	59.4	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-38.2	177.8	-24.8	35	0	0	0	114	K184 K192	K184-P188 WeakPolarHBondContact O-CD 3.26Å; P188-K192 WeakPolarHBondContact O-CB 3.04Å; P188-K192 PolarHBondContact O-N 3.42Å; P188-K192 VanDerWaalsContact O-N 3.13Å
189	H	96.2	Very high	92.8	Very high	71 Å²	71	58.4 Å²	58.4	33%	0.329	28%	0.284	S	S	.	.	H	α-helix	trans	-70.6	-40.7	176.8	-61.7	-59.1	0	0	0	111.3	I186 M187 K192 A193 A247 I250	I186-H189 WeakPolarHBondContact O-CB 3.49Å; I186-H189 PolarHBondContact O-N 3.39Å; M187-H189 VanDerWaalsContact C-N 3.32Å; M187-H189 PolarHBondContact O-N 2.89Å; H189-K192 PolarHBondContact O-N 2.84Å; H189-A193 WeakPolarHBondContact O-CB 3.38Å; H189-A193 PolarHBondContact O-N 3.14Å; H189-A247 HydrophobicContact CB-CB 4.45Å; H189-A247 WeakPolarHBondContact O-CB 3.41Å; H189-I250 HydrophobicContact CB-CD1 4.45Å
190	F	97.2	Very high	93.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-43.2	176.6	-161.1	-92.4	0	0	0	111.9	W142 V151 L172 M174 I186 M187 A193 A194 L203 I228 I250	W142-F190 AromaticContact CH2-CD1 3.65Å; W142-F190 HydrophobicContact CH2-CD1 3.65Å; W142-F190 HydrophobicContact CH2-CE1 4.05Å; W142-F190 HydrophobicContact CH2-CG 4.45Å; W142-F190 AromaticContact CZ2-CD1 3.98Å; W142-F190 HydrophobicContact CZ2-CD1 3.98Å; V151-F190 HydrophobicContact CG1-CD1 4.5Å; V151-F190 HydrophobicContact CG1-CE1 4.33Å; V151-F190 HydrophobicContact CG2-CD1 4.31Å; L172-F190 HydrophobicContact CD2-CE2 3.82Å; L172-F190 HydrophobicContact CD2-CZ 4.45Å; L172-F190 HydrophobicContact CG-CE2 4.13Å; L172-F190 HydrophobicContact CG-CZ 4.43Å; M174-F190 HydrophobicContact CB-CE1 4.38Å; M174-F190 HydrophobicContact CB-CE2 4.13Å; M174-F190 HydrophobicContact CB-CZ 3.94Å; M174-F190 HydrophobicContact CE-CD1 4.37Å; M174-F190 HydrophobicContact CE-CG 4.32Å; I186-F190 PolarHBondContact O-N 2.89Å; M187-F190 WeakPolarHBondContact O-CB 3.31Å; M187-F190 PolarHBondContact O-N 3.41Å; F190-A193 PolarHBondContact O-N 2.84Å; F190-A194 WeakPolarHBondContact O-CB 3.38Å; F190-A194 PolarHBondContact O-N 3.16Å; F190-L203 HydrophobicContact CD1-CB 4.23Å; F190-L203 HydrophobicContact CD1-CD2 3.97Å; F190-L203 HydrophobicContact CD1-CG 4.43Å; F190-L203 HydrophobicContact CD2-CD2 4.07Å; F190-L203 HydrophobicContact CE1-CB 3.56Å; F190-L203 HydrophobicContact CE1-CD2 3.89Å; F190-L203 HydrophobicContact CE1-CG 3.87Å; F190-L203 HydrophobicContact CE2-CD2 3.97Å; F190-L203 HydrophobicContact CE2-CG 4.18Å; F190-L203 HydrophobicContact CG-CD2 4.08Å; F190-L203 HydrophobicContact CZ-CB 3.86Å; F190-L203 HydrophobicContact CZ-CD2 3.89Å; F190-L203 HydrophobicContact CZ-CG 3.72Å; F190-L203 WeakPolarHBondContact O-CD2 3.45Å; F190-I228 HydrophobicContact CE2-CG2 4.38Å; F190-I250 HydrophobicContact CD2-CD1 4.36Å
191	Q	96.8	Very high	94.2	Very high	13 Å²	13	60.1 Å²	60.1	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-47.6	174.2	-71.1	167.7	-14.4	0	0	112.4	W142 D145 G147 A148 V151 M187 A194 T195	W142-Q191 VanDerWaalsContact CD1-NE2 3.31Å; W142-Q191 HydrophobicContact CZ2-CG 4.13Å; D145-Q191 VanDerWaalsContact CG-NE2 3.27Å; D145-Q191 PolarHBondContact OD2-NE2 3.12Å; G147-Q191 WeakPolarHBondContact O-CB 3.38Å; A148-Q191 HydrophobicContact CB-CG 3.97Å; V151-Q191 HydrophobicContact CG2-CB 4.43Å; V151-Q191 HydrophobicContact CG2-CG 4.12Å; M187-Q191 WeakPolarHBondContact O-CB 3.23Å; M187-Q191 WeakPolarHBondContact O-CG 3.28Å; M187-Q191 PolarHBondContact O-N 3.2Å; Q191-A194 WeakPolarHBondContact O-CB 3.22Å; Q191-A194 PolarHBondContact O-N 2.83Å; Q191-T195 PolarHBondContact O-N 3.25Å; Q191-T195 VanDerWaalsContact O-N 3.08Å; Q191-T195 PolarHBondContact O-OG1 2.86Å; Q191-T195 VanDerWaalsContact O-OG1 3.04Å
192	K	97.4	Very high	94.9	Very high	104 Å²	104	56.6 Å²	56.6	45%	0.452	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-41.7	178.1	-173.4	-176.9	-178.9	-152.6	0	111.1	P188 H189 T195 Q196 A247 E248	P188-K192 WeakPolarHBondContact O-CB 3.04Å; P188-K192 PolarHBondContact O-N 3.42Å; P188-K192 VanDerWaalsContact O-N 3.13Å; H189-K192 PolarHBondContact O-N 2.84Å; K192-T195 WeakPolarHBondContact O-CB 3.35Å; K192-T195 PolarHBondContact O-N 3Å; K192-Q196 WeakPolarHBondContact O-CG 3.43Å; K192-Q196 PolarHBondContact O-N 3.36Å; K192-Q196 VanDerWaalsContact O-N 3.07Å; K192-A247 HydrophobicContact CB-CB 3.74Å; K192-A247 HydrophobicContact CD-CB 3.71Å; K192-A247 HydrophobicContact CG-CB 3.82Å; K192-E248 IonicContact NZ-OE1 2.98Å; K192-E248 PolarHBondContact NZ-OE1 3.49Å; K192-E248 IonicContact NZ-OE2 2.63Å
193	A	97.5	Very high	95.5	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-45.2	173.9	0	0	0	0	0	111.2	H189 F190 T195 Q196 V197 L203 A247 I250 V251	H189-A193 WeakPolarHBondContact O-CB 3.38Å; H189-A193 PolarHBondContact O-N 3.14Å; F190-A193 PolarHBondContact O-N 2.84Å; A193-T195 PolarHBondContact O-N 3.45Å; A193-Q196 PolarHBondContact O-N 3.13Å; A193-V197 VanDerWaalsContact O-CG2 3.3Å; A193-V197 WeakPolarHBondContact O-CG2 3.42Å; A193-V197 PolarHBondContact O-N 2.82Å; A193-L203 HydrophobicContact CB-CD2 3.92Å; A193-A247 HydrophobicContact CB-CB 4.35Å; A193-I250 HydrophobicContact CB-CB 3.88Å; A193-I250 HydrophobicContact CB-CD1 4.28Å; A193-I250 HydrophobicContact CB-CG2 3.72Å; A193-V251 HydrophobicContact CB-CG2 3.99Å
194	A	98	Very high	95.9	Very high	4 Å²	4	54 Å²	54	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-39.8	178.4	0	0	0	0	0	112	D150 V151 F190 Q191 R198 L203	D150-A194 HydrophobicContact CB-CB 4.36Å; V151-A194 HydrophobicContact CG2-CB 3.8Å; F190-A194 WeakPolarHBondContact O-CB 3.38Å; F190-A194 PolarHBondContact O-N 3.16Å; Q191-A194 WeakPolarHBondContact O-CB 3.22Å; Q191-A194 PolarHBondContact O-N 2.83Å; A194-R198 PolarHBondContact O-N 3.23Å; A194-L203 HydrophobicContact CB-CB 3.64Å; A194-L203 HydrophobicContact CB-CD2 3.94Å; A194-L203 HydrophobicContact CB-CG 4.31Å
195	T	97.9	Very high	96.2	Very high	62 Å²	62	49 Å²	49	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-45.2	174.7	-53.6	0	0	0	0	111.6	D150 Q191 K192 A193 R198	D150-T195 PolarHBondContact OD2-OG1 3.28Å; Q191-T195 PolarHBondContact O-N 3.25Å; Q191-T195 VanDerWaalsContact O-N 3.08Å; Q191-T195 PolarHBondContact O-OG1 2.86Å; Q191-T195 VanDerWaalsContact O-OG1 3.04Å; K192-T195 WeakPolarHBondContact O-CB 3.35Å; K192-T195 PolarHBondContact O-N 3Å; A193-T195 PolarHBondContact O-N 3.45Å; T195-R198 WeakPolarHBondContact O-CB 3.48Å
196	Q	97.5	Very high	96.6	Very high	90 Å²	90	40.8 Å²	40.8	42%	0.421	21%	0.205	S	C	.	.	H	α-helix	trans	-67.8	-37.2	-178.1	-71.9	-178.4	25.1	0	0	113	K192 A193 R198 V251	K192-Q196 WeakPolarHBondContact O-CG 3.43Å; K192-Q196 PolarHBondContact O-N 3.36Å; K192-Q196 VanDerWaalsContact O-N 3.07Å; A193-Q196 PolarHBondContact O-N 3.13Å; Q196-R198 VanDerWaalsContact C-N 3.35Å; Q196-V251 HydrophobicContact CB-CG2 3.87Å; Q196-V251 VanDerWaalsContact OE1-CG2 3.28Å
197	V	97	Very high	96.7	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.055	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	5.2	-176.8	-54.9	0	0	0	0	113.5	A193 G199 H200 F201 L203 V251 L254	A193-V197 VanDerWaalsContact O-CG2 3.3Å; A193-V197 WeakPolarHBondContact O-CG2 3.42Å; A193-V197 PolarHBondContact O-N 2.82Å; V197-G199 PolarHBondContact O-N 3.44Å; V197-H200 PolarHBondContact O-N 3.13Å; V197-F201 HydrophobicContact CB-CB 4.11Å; V197-F201 HydrophobicContact CB-CD2 3.99Å; V197-F201 HydrophobicContact CB-CG 4.46Å; V197-F201 HydrophobicContact CG1-CD2 4.45Å; V197-F201 HydrophobicContact CG2-CB 3.79Å; V197-F201 PolarHBondContact O-N 2.79Å; V197-F201 VanDerWaalsContact O-N 3.11Å; V197-L203 HydrophobicContact CG2-CD1 3.64Å; V197-V251 HydrophobicContact CG1-CB 4.2Å; V197-V251 HydrophobicContact CG1-CG1 4.03Å; V197-V251 HydrophobicContact CG1-CG2 3.64Å; V197-L254 HydrophobicContact CG1-CD1 4.01Å; V197-L254 HydrophobicContact CG2-CD1 4.25Å
198	R	95.3	Very high	96.7	Very high	168 Å²	168	41.9 Å²	41.9	63%	0.634	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	131.7	-177.5	-175.8	-179.4	175.6	165.2	-6.8	110.7	D150 A194 T195 Q196 H200	D150-R198 VanDerWaalsContact OD1-CD 3.32Å; D150-R198 WeakPolarHBondContact OD1-CD 3.41Å; D150-R198 IonicContact OD1-CZ 2.88Å; D150-R198 IonicContact OD1-NE 3.37Å; D150-R198 IonicContact OD1-NH1 2.7Å; D150-R198 PolarHBondContact OD1-NH1 3.25Å; A194-R198 PolarHBondContact O-N 3.23Å; T195-R198 WeakPolarHBondContact O-CB 3.48Å; Q196-R198 VanDerWaalsContact C-N 3.35Å; R198-H200 VanDerWaalsContact C-N 3.29Å; R198-H200 PolarHBondContact O-N 3.1Å; R198-H200 PolarHBondContact O-ND1 2.9Å
199	G	93.6	Very high	96.6	Very high	42 Å²	42	44.5 Å²	44.5	43%	0.433	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-20.6	180	0	0	0	0	0	114.4	K169 V197	K169-G199 WeakPolarHBondContact CD-O 3.42Å; K169-G199 VanDerWaalsContact CE-O 3.25Å; K169-G199 WeakPolarHBondContact CE-O 3.3Å; K169-G199 PolarHBondContact NZ-O 2.86Å; V197-G199 PolarHBondContact O-N 3.44Å
200	H	95.6	Very high	96.2	Very high	138 Å²	138	43.3 Å²	43.3	64%	0.639	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-41.1	179.3	-58.5	84.6	0	0	0	112	V197 R198	V197-H200 PolarHBondContact O-N 3.13Å; R198-H200 VanDerWaalsContact C-N 3.29Å; R198-H200 PolarHBondContact O-N 3.1Å; R198-H200 PolarHBondContact O-ND1 2.9Å
201	F	97.1	Very high	95.8	Very high	45 Å²	45	48.1 Å²	48.1	20%	0.197	25%	0.246	C	C	.	.			trans	-128	157.8	178.4	-61.1	-95.3	0	0	0	110.4	P170 V197 L203 L254	P170-F201 HydrophobicContact CB-CD1 3.76Å; P170-F201 HydrophobicContact CB-CE1 3.93Å; P170-F201 HydrophobicContact CG-CD1 4.11Å; P170-F201 HydrophobicContact CG-CE1 3.96Å; P170-F201 WeakPolarHBondContact O-CA 3.45Å; V197-F201 HydrophobicContact CB-CB 4.11Å; V197-F201 HydrophobicContact CB-CD2 3.99Å; V197-F201 HydrophobicContact CB-CG 4.46Å; V197-F201 HydrophobicContact CG1-CD2 4.45Å; V197-F201 HydrophobicContact CG2-CB 3.79Å; V197-F201 PolarHBondContact O-N 2.79Å; V197-F201 VanDerWaalsContact O-N 3.11Å; F201-L203 HydrophobicContact CB-CD1 4.41Å; F201-L254 HydrophobicContact CB-CD1 4.44Å; F201-L254 HydrophobicContact CD1-CB 4.21Å; F201-L254 HydrophobicContact CD1-CD2 3.78Å; F201-L254 HydrophobicContact CD1-CG 4.43Å; F201-L254 HydrophobicContact CD2-CB 4.4Å; F201-L254 HydrophobicContact CE1-CB 4.12Å; F201-L254 HydrophobicContact CE1-CD2 4.2Å; F201-L254 VanDerWaalsContact CE1-O 3.23Å; F201-L254 WeakPolarHBondContact CE1-O 3.1Å; F201-L254 HydrophobicContact CE2-CB 4.3Å; F201-L254 HydrophobicContact CG-CB 4.37Å; F201-L254 HydrophobicContact CG-CD1 4.4Å; F201-L254 HydrophobicContact CG-CD2 4.3Å; F201-L254 HydrophobicContact CZ-CB 4.17Å; F201-L254 WeakPolarHBondContact CZ-O 3.41Å
202	V	97.8	Very high	95.5	Very high	16 Å²	16	54.1 Å²	54.1	10%	0.097	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.6	172.2	177	0	0	0	0	109.5	V152 E167 K169 P170 L171 L172	V152-V202 HydrophobicContact CB-CG1 4.34Å; V152-V202 HydrophobicContact CG2-CG1 3.76Å; E167-V202 HydrophobicContact CG-CB 4.38Å; E167-V202 HydrophobicContact CG-CG2 3.76Å; K169-V202 HydrophobicContact CB-CG2 4.32Å; P170-V202 PolarHBondContact O-N 3.2Å; L171-V202 CarbonylContact C-O 3.48Å; L171-V202 VanDerWaalsContact CA-O 3.23Å; L171-V202 WeakPolarHBondContact CA-O 3.41Å; L171-V202 HydrophobicContact CB-CB 4.24Å; L171-V202 HydrophobicContact CD1-CB 4.14Å; L171-V202 HydrophobicContact CD1-CG1 3.79Å; L171-V202 HydrophobicContact CG-CB 4.21Å; L171-V202 HydrophobicContact CG-CG1 4.19Å; L172-V202 PolarHBondContact N-O 3.06Å
203	L	98.3	Very high	95.4	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.5	169.8	-90.8	68.8	0	0	0	108.4	V151 V152 L172 F190 A193 A194 V197 F201 I250 L254	V151-L203 WeakPolarHBondContact CA-O 2.78Å; V152-L203 PolarHBondContact N-O 3.35Å; L172-L203 HydrophobicContact CB-CD1 4.23Å; L172-L203 HydrophobicContact CB-CG 4.16Å; L172-L203 HydrophobicContact CD2-CG 4.43Å; L172-L203 WeakPolarHBondContact O-CA 3.32Å; F190-L203 HydrophobicContact CD1-CB 4.23Å; F190-L203 HydrophobicContact CD1-CD2 3.97Å; F190-L203 HydrophobicContact CD1-CG 4.43Å; F190-L203 HydrophobicContact CD2-CD2 4.07Å; F190-L203 HydrophobicContact CE1-CB 3.56Å; F190-L203 HydrophobicContact CE1-CD2 3.89Å; F190-L203 HydrophobicContact CE1-CG 3.87Å; F190-L203 HydrophobicContact CE2-CD2 3.97Å; F190-L203 HydrophobicContact CE2-CG 4.18Å; F190-L203 HydrophobicContact CG-CD2 4.08Å; F190-L203 HydrophobicContact CZ-CB 3.86Å; F190-L203 HydrophobicContact CZ-CD2 3.89Å; F190-L203 HydrophobicContact CZ-CG 3.72Å; F190-L203 WeakPolarHBondContact O-CD2 3.45Å; A193-L203 HydrophobicContact CB-CD2 3.92Å; A194-L203 HydrophobicContact CB-CB 3.64Å; A194-L203 HydrophobicContact CB-CD2 3.94Å; A194-L203 HydrophobicContact CB-CG 4.31Å; V197-L203 HydrophobicContact CG2-CD1 3.64Å; F201-L203 HydrophobicContact CB-CD1 4.41Å; L203-I250 HydrophobicContact CD2-CG2 4.35Å; L203-L254 HydrophobicContact CD1-CD1 3.86Å
204	A	98.2	Very high	95.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.8	-174.1	0	0	0	0	0	111.6	V152 L163 L171 L172 M173 M174	V152-A204 HydrophobicContact CB-CB 3.97Å; V152-A204 CarbonylContact O-C 3.54Å; V152-A204 WeakPolarHBondContact O-CA 3.37Å; V152-A204 WeakPolarHBondContact O-CB 3.49Å; L163-A204 HydrophobicContact CD2-CB 4.13Å; L171-A204 HydrophobicContact CD1-CB 4.43Å; L172-A204 PolarHBondContact O-N 3.19Å; M173-A204 HydrophobicContact CE-CB 3.37Å; M173-A204 HydrophobicContact SD-CB 3.85Å; M174-A204 PolarHBondContact N-O 2.69Å
205	G	97.8	Very high	95	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.1	-178.5	0	0	0	0	0	111.6	V152 I154 M174	V152-G205 PolarHBondContact O-N 2.97Å; I154-G205 PolarHBondContact N-O 3.41Å; M174-G205 WeakPolarHBondContact O-CA 3.41Å
206	M	97.3	Very high	94.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	123.5	176.2	-171.8	177.3	-179.3	0	0	110.9	I154 F160 M173 M174 F175 Y176 I208 F213 I216	I154-M206 HydrophobicContact CB-CB 4.2Å; I154-M206 HydrophobicContact CB-CG 4.25Å; I154-M206 HydrophobicContact CG2-CE 4.45Å; I154-M206 HydrophobicContact CG2-CG 4.23Å; I154-M206 HydrophobicContact CG2-SD 3.96Å; I154-M206 WeakPolarHBondContact O-CG 3.49Å; F160-M206 HydrophobicContact CB-SD 4.02Å; F160-M206 HydrophobicContact CG-SD 4.17Å; M173-M206 HydrophobicContact SD-CB 3.98Å; M174-M206 PolarHBondContact O-N 2.83Å; F175-M206 WeakPolarHBondContact CA-O 3.2Å; F175-M206 HydrophobicContact CD1-CB 4.05Å; F175-M206 HydrophobicContact CE1-CB 4.25Å; F175-M206 HydrophobicContact CE1-SD 4.12Å; Y176-M206 VanDerWaalsContact CD1-C 3.49Å; Y176-M206 VanDerWaalsContact CD1-O 3.26Å; Y176-M206 WeakPolarHBondContact CD1-O 3.45Å; Y176-M206 PolarHBondContact N-O 3.35Å; M206-I208 HydrophobicContact CB-CG2 4.22Å; M206-I208 HydrophobicContact CE-CG2 4.04Å; M206-I208 HydrophobicContact CG-CG2 3.61Å; M206-I208 PolarHBondContact O-N 2.88Å; M206-I208 HydrophobicContact SD-CG2 3.8Å; M206-F213 HydrophobicContact CE-CD1 3.6Å; M206-F213 HydrophobicContact CE-CE1 3.32Å; M206-F213 HydrophobicContact CE-CG 4.39Å; M206-F213 HydrophobicContact CE-CZ 3.92Å; M206-I216 HydrophobicContact CE-CD1 3.65Å; M206-I216 HydrophobicContact SD-CD1 4.13Å
207	N	94.4	Very high	94.7	Very high	47 Å²	47	52.1 Å²	52.1	25%	0.251	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	103.6	171.7	173.5	17	0	0	0	109.1	Y176 P178 Y209 F213	Y176-N207 HydrophobicContact CE1-CB 4.16Å; Y176-N207 HydrophobicContact CE2-CB 3.96Å; Y176-N207 WeakPolarHBondContact O-CA 3.36Å; Y176-N207 PolarHBondContact O-OD1 2.8Å; P178-N207 WeakPolarHBondContact CD-OD1 3.42Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.42Å; N207-Y209 PolarHBondContact OD1-N 2.78Å; N207-Y209 VanDerWaalsContact OD1-N 3.13Å; N207-F213 WeakPolarHBondContact O-CE2 3.38Å
208	I	95.4	Very high	94.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.293	C	S	.	.			trans	-106.1	12.7	179.8	67.2	169.1	0	0	0	112.9	F175 Y176 M206 P210 F213 I216 K217 V222 Y225	F175-I208 HydrophobicContact CB-CD1 3.51Å; F175-I208 HydrophobicContact CB-CG1 3.91Å; F175-I208 HydrophobicContact CD1-CD1 3.88Å; F175-I208 HydrophobicContact CD1-CG1 4.34Å; F175-I208 HydrophobicContact CD1-CG2 3.73Å; F175-I208 HydrophobicContact CD2-CD1 4.2Å; F175-I208 HydrophobicContact CE1-CG2 4.21Å; F175-I208 HydrophobicContact CG-CD1 3.61Å; F175-I208 HydrophobicContact CG-CG1 4.31Å; Y176-I208 PolarHBondContact O-N 3.13Å; M206-I208 HydrophobicContact CB-CG2 4.22Å; M206-I208 HydrophobicContact CE-CG2 4.04Å; M206-I208 HydrophobicContact CG-CG2 3.61Å; M206-I208 PolarHBondContact O-N 2.88Å; M206-I208 HydrophobicContact SD-CG2 3.8Å; I208-P210 VanDerWaalsContact C-CD 3.41Å; I208-F213 HydrophobicContact CB-CB 3.82Å; I208-F213 HydrophobicContact CB-CD2 4.26Å; I208-F213 HydrophobicContact CB-CG 4.16Å; I208-F213 HydrophobicContact CG2-CB 4.2Å; I208-F213 HydrophobicContact CG2-CG 4.23Å; I208-I216 HydrophobicContact CD1-CG2 4.41Å; I208-I216 HydrophobicContact CG2-CG2 4.37Å; I208-K217 HydrophobicContact CD1-CG 3.79Å; I208-K217 HydrophobicContact CG1-CG 4.45Å; I208-K217 WeakPolarHBondContact O-CE 3.25Å; I208-K217 PolarHBondContact O-NZ 2.88Å; I208-V222 HydrophobicContact CD1-CB 4.3Å; I208-V222 HydrophobicContact CD1-CG1 4.02Å; I208-V222 HydrophobicContact CD1-CG2 3.88Å; I208-Y225 HydrophobicContact CD1-CE1 4.35Å; I208-Y225 HydrophobicContact CG1-CE1 3.86Å
209	Y	91.4	Very high	94.3	Very high	122 Å²	122	55.2 Å²	55.2	48%	0.478	29%	0.285	S	S	.	.			trans	-54.4	-43.6	175.3	175.2	-111.3	0	0	0	113.8	A177 W179 N207 K217	A177-Y209 HydrophobicContact CB-CD2 4.27Å; A177-Y209 HydrophobicContact CB-CG 4.27Å; W179-Y209 AromaticContact CE2-CD2 3.65Å; W179-Y209 AromaticContact CE2-CE2 3.56Å; W179-Y209 AromaticContact CZ2-CD2 3.6Å; W179-Y209 HydrophobicContact CZ2-CD2 3.6Å; W179-Y209 AromaticContact CZ2-CE2 3.55Å; W179-Y209 HydrophobicContact CZ2-CE2 3.55Å; W179-Y209 AromaticContact NE1-CD1 3.8Å; W179-Y209 AromaticContact NE1-CD2 3.12Å; W179-Y209 AromaticContact NE1-CE1 3.72Å; W179-Y209 AromaticContact NE1-CE2 3.03Å; W179-Y209 AromaticContact NE1-CG 3.51Å; W179-Y209 AromaticContact NE1-CZ 3.35Å; W179-Y209 VanDerWaalsContact NE1-CZ 3.35Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.42Å; N207-Y209 PolarHBondContact OD1-N 2.78Å; N207-Y209 VanDerWaalsContact OD1-N 3.13Å; Y209-K217 PolarHBondContact O-NZ 3.02Å
210	P	89.8	Confident	94.1	Very high	45 Å²	45	53.7 Å²	53.7	29%	0.292	27%	0.266	S	S	.	.	S	Bend	trans	-54.6	148.7	178.7	-26.8	36.5	0	0	0	113.7	I208 E212 F213	I208-P210 VanDerWaalsContact C-CD 3.41Å; P210-E212 HydrophobicContact CB-CG 4.1Å; P210-E212 PolarHBondContact O-N 2.83Å; P210-F213 HydrophobicContact CB-CD2 4Å; P210-F213 HydrophobicContact CB-CE2 4.1Å; P210-F213 HydrophobicContact CG-CD2 4.25Å; P210-F213 HydrophobicContact CG-CE2 4.09Å; P210-F213 PolarHBondContact O-N 3.03Å
211	S	87.9	Confident	93.7	Very high	101 Å²	101	51 Å²	51	71%	0.706	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-68.5	-12	-178.4	57.2	0	0	0	0	114.1	F213 E214	S211-F213 PolarHBondContact O-N 3.33Å; S211-E214 WeakPolarHBondContact O-CG 3.47Å
212	E	91.3	Very high	93.2	Very high	139 Å²	139	49.6 Å²	49.6	65%	0.65	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-69.3	-13.5	173.8	68	-164.6	176.3	0	0	112.9	P210	P210-E212 HydrophobicContact CB-CG 4.1Å; P210-E212 PolarHBondContact O-N 2.83Å
213	F	95.1	Very high	92.6	Very high	10 Å²	10	59.3 Å²	59.3	4%	0.044	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-104.5	16.3	-178.7	-56	-64.6	0	0	0	114	M206 N207 I208 P210 S211 N215 I216 K217	M206-F213 HydrophobicContact CE-CD1 3.6Å; M206-F213 HydrophobicContact CE-CE1 3.32Å; M206-F213 HydrophobicContact CE-CG 4.39Å; M206-F213 HydrophobicContact CE-CZ 3.92Å; N207-F213 WeakPolarHBondContact O-CE2 3.38Å; I208-F213 HydrophobicContact CB-CB 3.82Å; I208-F213 HydrophobicContact CB-CD2 4.26Å; I208-F213 HydrophobicContact CB-CG 4.16Å; I208-F213 HydrophobicContact CG2-CB 4.2Å; I208-F213 HydrophobicContact CG2-CG 4.23Å; P210-F213 HydrophobicContact CB-CD2 4Å; P210-F213 HydrophobicContact CB-CE2 4.1Å; P210-F213 HydrophobicContact CG-CD2 4.25Å; P210-F213 HydrophobicContact CG-CE2 4.09Å; P210-F213 PolarHBondContact O-N 3.03Å; S211-F213 PolarHBondContact O-N 3.33Å; F213-N215 VanDerWaalsContact C-N 3.25Å; F213-N215 PolarHBondContact O-N 3.29Å; F213-I216 HydrophobicContact CD1-CD1 3.87Å; F213-I216 PolarHBondContact O-N 3.3Å; F213-K217 WeakPolarHBondContact O-CG 3.45Å; F213-K217 PolarHBondContact O-N 2.99Å
214	E	91.8	Very high	91.9	Very high	82 Å²	82	60.9 Å²	60.9	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-54.4	-40.9	177.5	-68.6	-47.3	134.2	0	0	112.3	S211 I216 K217 E218	S211-E214 WeakPolarHBondContact O-CG 3.47Å; E214-I216 VanDerWaalsContact C-N 3.31Å; E214-I216 PolarHBondContact O-N 3.39Å; E214-K217 WeakPolarHBondContact O-CB 3.38Å; E214-K217 PolarHBondContact O-N 2.89Å; E214-K217 IonicContact OE1-NZ 3.37Å; E214-K217 PolarHBondContact OE1-NZ 2.95Å; E214-K217 WeakPolarHBondContact OE2-CD 3.15Å; E214-K217 IonicContact OE2-NZ 2.92Å; E214-E218 PolarHBondContact O-N 3Å
215	N	94.4	Very high	91.4	Very high	102 Å²	102	63.4 Å²	63.4	55%	0.545	31%	0.313	S	S	.	.	H	α-helix	trans	-59.4	-40	177.1	-65.5	-16.7	0	0	0	112.7	F213 E219	F213-N215 VanDerWaalsContact C-N 3.25Å; F213-N215 PolarHBondContact O-N 3.29Å; N215-E219 VanDerWaalsContact O-CB 3.24Å; N215-E219 WeakPolarHBondContact O-CB 3.09Å; N215-E219 PolarHBondContact O-N 3.17Å
216	I	95.8	Very high	91.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-40.9	176.6	-63.8	-177.6	0	0	0	109.8	E157 F160 F175 M206 I208 F213 E214 E218 E219 Y220	E157-I216 HydrophobicContact CB-CD1 4.04Å; E157-I216 HydrophobicContact CG-CD1 3.96Å; E157-I216 HydrophobicContact CG-CG1 4.36Å; F160-I216 HydrophobicContact CD1-CD1 4.17Å; F175-I216 HydrophobicContact CE1-CG2 3.87Å; F175-I216 HydrophobicContact CE2-CG2 4.28Å; F175-I216 HydrophobicContact CZ-CG2 3.71Å; M206-I216 HydrophobicContact CE-CD1 3.65Å; M206-I216 HydrophobicContact SD-CD1 4.13Å; I208-I216 HydrophobicContact CD1-CG2 4.41Å; I208-I216 HydrophobicContact CG2-CG2 4.37Å; F213-I216 HydrophobicContact CD1-CD1 3.87Å; F213-I216 PolarHBondContact O-N 3.3Å; E214-I216 VanDerWaalsContact C-N 3.31Å; E214-I216 PolarHBondContact O-N 3.39Å; I216-E218 VanDerWaalsContact C-N 3.34Å; I216-E218 PolarHBondContact O-N 2.73Å; I216-E219 PolarHBondContact O-N 3.21Å; I216-Y220 HydrophobicContact CG2-CD2 3.72Å; I216-Y220 HydrophobicContact CG2-CE2 4.02Å; I216-Y220 VanDerWaalsContact O-CD2 3.28Å; I216-Y220 WeakPolarHBondContact O-CD2 3.14Å; I216-Y220 PolarHBondContact O-N 2.95Å; I216-Y220 VanDerWaalsContact O-N 3.11Å
217	K	92.6	Very high	91	Very high	24 Å²	24	64 Å²	64	10%	0.104	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-44.8	177.6	-64.8	171.5	-165.2	169.5	0	111.3	I208 Y209 F213 E214 N221 V222 Y225	I208-K217 HydrophobicContact CD1-CG 3.79Å; I208-K217 HydrophobicContact CG1-CG 4.45Å; I208-K217 WeakPolarHBondContact O-CE 3.25Å; I208-K217 PolarHBondContact O-NZ 2.88Å; Y209-K217 PolarHBondContact O-NZ 3.02Å; F213-K217 WeakPolarHBondContact O-CG 3.45Å; F213-K217 PolarHBondContact O-N 2.99Å; E214-K217 WeakPolarHBondContact O-CB 3.38Å; E214-K217 PolarHBondContact O-N 2.89Å; E214-K217 IonicContact OE1-NZ 3.37Å; E214-K217 PolarHBondContact OE1-NZ 2.95Å; E214-K217 WeakPolarHBondContact OE2-CD 3.15Å; E214-K217 IonicContact OE2-NZ 2.92Å; K217-N221 CarbonylContact O-C 3.5Å; K217-N221 WeakPolarHBondContact O-CA 3.33Å; K217-N221 PolarHBondContact O-N 2.9Å; K217-N221 VanDerWaalsContact O-N 3.1Å; K217-V222 HydrophobicContact CB-CB 4.11Å; K217-V222 HydrophobicContact CG-CB 4.3Å; K217-V222 PolarHBondContact O-N 2.92Å; K217-Y225 WeakPolarHBondContact CE-OH 3.32Å
218	E	90.3	Very high	91.1	Very high	146 Å²	146	61.8 Å²	61.8	68%	0.682	31%	0.305	S	S	*	.	H	α-helix	trans	-65.9	-50	177.2	-70.6	-178.8	178.8	0	0	111.6	E214 I216 Y220 N221	E214-E218 PolarHBondContact O-N 3Å; I216-E218 VanDerWaalsContact C-N 3.34Å; I216-E218 PolarHBondContact O-N 2.73Å; E218-Y220 VanDerWaalsContact C-N 3.32Å; E218-Y220 PolarHBondContact O-N 3.06Å; E218-N221 PolarHBondContact O-N 2.98Å; E218-N221 VanDerWaalsContact O-N 3.13Å
219	E	93.7	Very high	91.1	Very high	97 Å²	97	61.8 Å²	61.8	45%	0.453	31%	0.305	S	S	.	.	H	α-helix	trans	-58.4	-41.1	-176.4	-176.7	-179.7	152.3	0	0	113	R161 N215 I216	R161-E219 IonicContact CZ-OE1 3.86Å; R161-E219 IonicContact CZ-OE2 2.72Å; R161-E219 IonicContact NH1-OE1 2.77Å; R161-E219 PolarHBondContact NH1-OE1 3.28Å; R161-E219 IonicContact NH1-OE2 3.04Å; R161-E219 PolarHBondContact NH1-OE2 3.21Å; R161-E219 IonicContact NH2-OE1 2.66Å; R161-E219 IonicContact NH2-OE2 2.9Å; R161-E219 PolarHBondContact NH2-OE2 3.2Å; N215-E219 VanDerWaalsContact O-CB 3.24Å; N215-E219 WeakPolarHBondContact O-CB 3.09Å; N215-E219 PolarHBondContact O-N 3.17Å; I216-E219 PolarHBondContact O-N 3.21Å
220	Y	91	Very high	91.4	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.035	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	12.2	-179.4	-58.1	-68.7	0	0	0	113.5	F160 R161 F175 I216 E218 V222 F231 F236 Q239	F160-Y220 AromaticContact CE1-CE2 3.48Å; F160-Y220 HydrophobicContact CE1-CE2 3.48Å; F160-Y220 VanDerWaalsContact CE1-CE2 3.48Å; F160-Y220 AromaticContact CE1-CZ 3.75Å; F160-Y220 AromaticContact CZ-CE2 3.7Å; F160-Y220 HydrophobicContact CZ-CE2 3.7Å; F160-Y220 AromaticContact CZ-CZ 3.77Å; R161-Y220 PolarHBondContact NH1-OH 3Å; F175-Y220 AromaticContact CE2-CD2 3.72Å; F175-Y220 HydrophobicContact CE2-CD2 3.72Å; F175-Y220 AromaticContact CE2-CG 3.86Å; F175-Y220 HydrophobicContact CE2-CG 3.86Å; F175-Y220 AromaticContact CZ-CD2 3.78Å; F175-Y220 HydrophobicContact CZ-CD2 3.78Å; F175-Y220 HydrophobicContact CZ-CE2 4.24Å; F175-Y220 HydrophobicContact CZ-CG 4.32Å; I216-Y220 HydrophobicContact CG2-CD2 3.72Å; I216-Y220 HydrophobicContact CG2-CE2 4.02Å; I216-Y220 VanDerWaalsContact O-CD2 3.28Å; I216-Y220 WeakPolarHBondContact O-CD2 3.14Å; I216-Y220 PolarHBondContact O-N 2.95Å; I216-Y220 VanDerWaalsContact O-N 3.11Å; E218-Y220 VanDerWaalsContact C-N 3.32Å; E218-Y220 PolarHBondContact O-N 3.06Å; Y220-V222 VanDerWaalsContact C-N 3.33Å; Y220-V222 PolarHBondContact O-N 3.01Å; Y220-F231 HydrophobicContact CD1-CE1 4.38Å; Y220-F231 AromaticContact CD1-CZ 3.99Å; Y220-F231 HydrophobicContact CD1-CZ 3.99Å; Y220-F231 AromaticContact CE1-CE1 3.63Å; Y220-F231 HydrophobicContact CE1-CE1 3.63Å; Y220-F231 AromaticContact CE1-CZ 3.61Å; Y220-F231 HydrophobicContact CE1-CZ 3.61Å; Y220-F236 HydrophobicContact CD1-CB 4.13Å; Y220-F236 HydrophobicContact CD1-CD1 4.46Å; Y220-F236 AromaticContact CD1-CD2 3.94Å; Y220-F236 HydrophobicContact CD1-CD2 3.94Å; Y220-F236 HydrophobicContact CD1-CE2 4.49Å; Y220-F236 AromaticContact CD1-CG 3.92Å; Y220-F236 HydrophobicContact CD1-CG 3.92Å; Y220-F236 HydrophobicContact CE1-CB 3.85Å; Y220-F236 HydrophobicContact CE1-CD2 4.43Å; Y220-F236 HydrophobicContact CE1-CG 4.17Å; Y220-Q239 PolarHBondContact O-NE2 2.7Å
221	N	86.4	Confident	91.7	Very high	81 Å²	81	54 Å²	54	43%	0.433	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	48.5	179.7	-169.1	42.7	0	0	0	113.1	K217 E218 R223 Q239	K217-N221 CarbonylContact O-C 3.5Å; K217-N221 WeakPolarHBondContact O-CA 3.33Å; K217-N221 PolarHBondContact O-N 2.9Å; K217-N221 VanDerWaalsContact O-N 3.1Å; E218-N221 PolarHBondContact O-N 2.98Å; E218-N221 VanDerWaalsContact O-N 3.13Å; N221-R223 PolarHBondContact O-N 2.89Å; N221-R223 VanDerWaalsContact O-N 3.13Å; N221-R223 PolarHBondContact OD1-NE 3.12Å; N221-R223 PolarHBondContact OD1-NH2 2.92Å; N221-Q239 PolarHBondContact O-NE2 3.21Å
222	V	87.2	Confident	92.1	Very high	16 Å²	16	53.1 Å²	53.1	10%	0.097	25%	0.254	C	S	.	.			trans	-75.5	99.3	176.4	-178.3	0	0	0	0	108.9	F175 I208 K217 Y220 Y225 T227	F175-V222 HydrophobicContact CD2-CG2 3.73Å; F175-V222 HydrophobicContact CE2-CG2 4.36Å; F175-V222 HydrophobicContact CG-CG2 4.4Å; I208-V222 HydrophobicContact CD1-CB 4.3Å; I208-V222 HydrophobicContact CD1-CG1 4.02Å; I208-V222 HydrophobicContact CD1-CG2 3.88Å; K217-V222 HydrophobicContact CB-CB 4.11Å; K217-V222 HydrophobicContact CG-CB 4.3Å; K217-V222 PolarHBondContact O-N 2.92Å; Y220-V222 VanDerWaalsContact C-N 3.33Å; Y220-V222 PolarHBondContact O-N 3.01Å; V222-Y225 HydrophobicContact CG1-CD1 4.33Å; V222-Y225 HydrophobicContact CG1-CE1 3.95Å; V222-T227 HydrophobicContact CG2-CG2 4.12Å
223	R	85	Confident	92.1	Very high	220 Å²	220	55 Å²	55	83%	0.83	26%	0.259	S	S	*	.			trans	-97.6	-9.7	177.3	-58.9	-63.1	179.5	170	-1.2	113.6	N221	N221-R223 PolarHBondContact O-N 2.89Å; N221-R223 VanDerWaalsContact O-N 3.13Å; N221-R223 PolarHBondContact OD1-NE 3.12Å; N221-R223 PolarHBondContact OD1-NH2 2.92Å
224	G	82.9	Confident	91.8	Very high	36 Å²	36	55.8 Å²	55.8	37%	0.371	27%	0.27	S	S	.	.	S	Bend	trans	-166.4	173.9	-178.5	0	0	0	0	0	112.1	T227	G224-T227 PolarHBondContact O-OG1 3.21Å
225	Y	87	Confident	91.8	Very high	54 Å²	54	60.9 Å²	60.9	21%	0.212	29%	0.286	C	S	.	.	S	Bend	trans	-120.4	138.4	-179.4	-55.8	-69.8	0	0	0	111.4	A177 W179 C180 I208 K217 V222	A177-Y225 HydrophobicContact CB-CD1 4.35Å; A177-Y225 HydrophobicContact CB-CD2 3.8Å; A177-Y225 HydrophobicContact CB-CE2 4.08Å; A177-Y225 HydrophobicContact CB-CG 3.94Å; W179-Y225 AromaticContact CH2-CD2 3.91Å; W179-Y225 HydrophobicContact CH2-CD2 3.91Å; W179-Y225 HydrophobicContact CH2-CE2 4.25Å; W179-Y225 HydrophobicContact CZ2-CD2 4.09Å; W179-Y225 HydrophobicContact CZ2-CE2 4.08Å; C180-Y225 PolarHBondContact SG-O 2.85Å; I208-Y225 HydrophobicContact CD1-CE1 4.35Å; I208-Y225 HydrophobicContact CG1-CE1 3.86Å; K217-Y225 WeakPolarHBondContact CE-OH 3.32Å; V222-Y225 HydrophobicContact CG1-CD1 4.33Å; V222-Y225 HydrophobicContact CG1-CE1 3.95Å
226	P	93.9	Very high	91.9	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.039	28%	0.277	C	S	.	.	S	Bend	cis	-73	152	-8.3	32.2	-33.6	0	0	0	110.9	M174 F175 M182 C183 I186 I228 Y243	M174-P226 HydrophobicContact CG-CB 3.97Å; M174-P226 HydrophobicContact SD-CB 3.91Å; F175-P226 WeakPolarHBondContact O-CA 3.49Å; M182-P226 HydrophobicContact CG-CG 4.46Å; C183-P226 VanDerWaalsContact SG-N 3.35Å; I186-P226 HydrophobicContact CG2-CG 4.22Å; P226-I228 HydrophobicContact CB-CG1 4.36Å; P226-Y243 HydrophobicContact CG-CD1 3.85Å; P226-Y243 HydrophobicContact CG-CE1 4.24Å; P226-Y243 WeakPolarHBondContact O-CE1 3.27Å
227	T	94	Very high	91.7	Very high	6 Å²	6	63.4 Å²	63.4	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.8	160.2	-67.3	0	0	0	0	106.7	F175 V222 G224 Q239	F175-T227 WeakPolarHBondContact CB-O 3.33Å; F175-T227 PolarHBondContact N-O 2.88Å; F175-T227 PolarHBondContact O-N 3.2Å; V222-T227 HydrophobicContact CG2-CG2 4.12Å; G224-T227 PolarHBondContact O-OG1 3.21Å; T227-Q239 HydrophobicContact CG2-CG 4.24Å
228	I	96.3	Very high	91.6	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.7	-176.1	-58	175.8	0	0	0	108.1	L172 M173 M174 I186 F190 P226 Q239 Y240 Y243	L172-I228 HydrophobicContact CD1-CG2 3.52Å; L172-I228 HydrophobicContact CD2-CG2 4.08Å; L172-I228 HydrophobicContact CG-CG2 3.56Å; M173-I228 CarbonylContact O-C 3.5Å; M173-I228 VanDerWaalsContact O-CA 3.29Å; M173-I228 WeakPolarHBondContact O-CA 3.39Å; M174-I228 HydrophobicContact CB-CG1 4.11Å; M174-I228 HydrophobicContact CG-CD1 4.41Å; M174-I228 HydrophobicContact CG-CG1 3.93Å; M174-I228 HydrophobicContact SD-CD1 4.26Å; M174-I228 HydrophobicContact SD-CG1 4.4Å; I186-I228 HydrophobicContact CD1-CD1 3.75Å; F190-I228 HydrophobicContact CE2-CG2 4.38Å; P226-I228 HydrophobicContact CB-CG1 4.36Å; I228-Q239 CarbonylContact O-C 3.38Å; I228-Q239 WeakPolarHBondContact O-CA 3.15Å; I228-Y240 HydrophobicContact CB-CD1 4.17Å; I228-Y240 HydrophobicContact CD1-CD1 3.94Å; I228-Y240 HydrophobicContact CD1-CE1 4.41Å; I228-Y240 HydrophobicContact CG2-CD1 4.15Å; I228-Y240 HydrophobicContact CG2-CG 4.37Å; I228-Y240 PolarHBondContact O-N 2.8Å; I228-Y243 HydrophobicContact CD1-CD1 4.22Å; I228-Y243 HydrophobicContact CD1-CE1 4.3Å; I228-Y243 HydrophobicContact CG1-CE1 4.23Å
229	C	96	Very high	91.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134	-173.9	-67.7	0	0	0	0	110.6	M173 F175 F231 F236	M173-C229 PolarHBondContact N-O 3.35Å; M173-C229 PolarHBondContact O-N 3Å; F175-C229 HydrophobicContact CE2-CB 4.43Å; C229-F231 HydrophobicContact CB-CD2 4.25Å; C229-F231 HydrophobicContact CB-CE2 3.42Å; C229-F231 VanDerWaalsContact CB-CE2 3.42Å; C229-F231 HydrophobicContact CB-CZ 4.03Å; C229-F231 WeakPolarHBondContact O-CD2 3.43Å; C229-F236 HydrophobicContact CB-CD2 3.95Å; C229-F236 HydrophobicContact CB-CE2 3.79Å
230	Y	97.3	Very high	91.4	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.8	176.4	-176.4	-114.7	0	0	0	111.4	P170 L171 L172 E232 L237 F238 W253 L254 P257	P170-Y230 HydrophobicContact CB-CE2 3.8Å; P170-Y230 WeakPolarHBondContact CB-OH 3.27Å; L171-Y230 WeakPolarHBondContact O-CA 3.09Å; L171-Y230 WeakPolarHBondContact O-CD2 3.39Å; L172-Y230 HydrophobicContact CD1-CD2 4.2Å; Y230-E232 HydrophobicContact CE1-CG 3.74Å; Y230-E232 PolarHBondContact OH-OE1 3.3Å; Y230-L237 HydrophobicContact CD1-CB 4.36Å; Y230-L237 HydrophobicContact CD1-CD1 4.07Å; Y230-L237 HydrophobicContact CE1-CD1 3.96Å; Y230-L237 PolarHBondContact O-N 3.33Å; Y230-F238 HydrophobicContact CD1-CD2 4.4Å; Y230-F238 HydrophobicContact CD1-CE1 4.32Å; Y230-F238 AromaticContact CD1-CE2 3.68Å; Y230-F238 HydrophobicContact CD1-CE2 3.68Å; Y230-F238 AromaticContact CD1-CZ 3.64Å; Y230-F238 HydrophobicContact CD1-CZ 3.64Å; Y230-F238 HydrophobicContact CE1-CZ 4.16Å; Y230-F238 HydrophobicContact CG-CE2 4.21Å; Y230-F238 PolarHBondContact N-O 3.3Å; Y230-W253 HydrophobicContact CD1-CH2 4.34Å; Y230-W253 HydrophobicContact CD2-CH2 4.08Å; Y230-W253 AromaticContact CD2-CZ3 3.96Å; Y230-W253 HydrophobicContact CD2-CZ3 3.96Å; Y230-W253 HydrophobicContact CE2-CZ3 4.47Å; Y230-W253 AromaticContact CG-CH2 3.81Å; Y230-W253 HydrophobicContact CG-CH2 3.81Å; Y230-W253 HydrophobicContact CG-CZ3 4.19Å; Y230-L254 HydrophobicContact CD2-CD2 4.47Å; Y230-L254 HydrophobicContact CE2-CD2 4.15Å; Y230-P257 HydrophobicContact CD1-CB 4Å; Y230-P257 HydrophobicContact CE1-CB 3.54Å; Y230-P257 HydrophobicContact CE1-CG 3.91Å; Y230-P257 HydrophobicContact CE2-CB 4.34Å; Y230-P257 HydrophobicContact CE2-CG 4.11Å; Y230-P257 WeakPolarHBondContact OH-CG 3.29Å
231	F	96.8	Very high	91	Very high	2 Å²	2	59 Å²	59	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.5	-176.7	-63.8	-102.3	0	0	0	110.8	F160 L164 P170 L171 M173 Y220 C229 R235 F236	F160-F231 HydrophobicContact CE2-CZ 4.38Å; F160-F231 HydrophobicContact CZ-CE1 4.38Å; F160-F231 AromaticContact CZ-CZ 3.96Å; F160-F231 HydrophobicContact CZ-CZ 3.96Å; L164-F231 HydrophobicContact CD1-CD1 4.01Å; L164-F231 HydrophobicContact CD1-CE1 3.66Å; L164-F231 HydrophobicContact CD1-CZ 4.39Å; L164-F231 HydrophobicContact CD2-CB 4.18Å; L164-F231 HydrophobicContact CD2-CD1 3.44Å; L164-F231 VanDerWaalsContact CD2-CD1 3.44Å; L164-F231 HydrophobicContact CD2-CD2 4.24Å; L164-F231 HydrophobicContact CD2-CE1 3.79Å; L164-F231 HydrophobicContact CD2-CG 3.71Å; L164-F231 HydrophobicContact CD2-CZ 4.33Å; L164-F231 HydrophobicContact CG-CD1 4.37Å; L164-F231 HydrophobicContact CG-CE1 4.39Å; P170-F231 WeakPolarHBondContact CA-O 3.29Å; L171-F231 HydrophobicContact CB-CB 4.28Å; L171-F231 HydrophobicContact CD2-CB 4.22Å; L171-F231 HydrophobicContact CD2-CD2 3.64Å; L171-F231 HydrophobicContact CD2-CE2 4.35Å; L171-F231 HydrophobicContact CD2-CG 4.19Å; L171-F231 PolarHBondContact N-O 2.74Å; L171-F231 PolarHBondContact O-N 2.98Å; M173-F231 HydrophobicContact CB-CD2 4.23Å; M173-F231 HydrophobicContact CB-CE2 3.76Å; Y220-F231 HydrophobicContact CD1-CE1 4.38Å; Y220-F231 AromaticContact CD1-CZ 3.99Å; Y220-F231 HydrophobicContact CD1-CZ 3.99Å; Y220-F231 AromaticContact CE1-CE1 3.63Å; Y220-F231 HydrophobicContact CE1-CE1 3.63Å; Y220-F231 AromaticContact CE1-CZ 3.61Å; Y220-F231 HydrophobicContact CE1-CZ 3.61Å; C229-F231 HydrophobicContact CB-CD2 4.25Å; C229-F231 HydrophobicContact CB-CE2 3.42Å; C229-F231 VanDerWaalsContact CB-CE2 3.42Å; C229-F231 HydrophobicContact CB-CZ 4.03Å; C229-F231 WeakPolarHBondContact O-CD2 3.43Å; F231-R235 WeakPolarHBondContact CA-O 3.35Å; F231-F236 HydrophobicContact CD1-CB 3.97Å; F231-F236 HydrophobicContact CE1-CB 3.62Å; F231-F236 HydrophobicContact CE1-CD2 4.34Å; F231-F236 HydrophobicContact CE1-CG 4.47Å; F231-F236 HydrophobicContact CE2-CD2 4.47Å; F231-F236 HydrophobicContact CZ-CB 4.22Å; F231-F236 HydrophobicContact CZ-CD2 4.13Å
232	E	94.8	Very high	90.7	Very high	82 Å²	82	59 Å²	59	38%	0.383	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.7	166.8	-72.6	-168.6	164.4	0	0	110	P170 Y230 G234 R235 L237	P170-E232 HydrophobicContact CB-CG 4.04Å; P170-E232 HydrophobicContact CG-CG 4.37Å; Y230-E232 HydrophobicContact CE1-CG 3.74Å; Y230-E232 PolarHBondContact OH-OE1 3.3Å; E232-G234 PolarHBondContact O-N 2.89Å; E232-G234 VanDerWaalsContact O-N 3.12Å; E232-R235 PolarHBondContact N-O 3.5Å; E232-R235 WeakPolarHBondContact O-CB 2.87Å; E232-R235 PolarHBondContact O-N 3.29Å; E232-L237 HydrophobicContact CB-CD1 3.89Å; E232-L237 HydrophobicContact CG-CD1 3.72Å
233	K	91.4	Very high	90.1	Very high	177 Å²	177	61.2 Å²	61.2	77%	0.77	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	39.2	179.6	-57.1	177.2	-179.2	174.3	0	112.4	R235	K233-R235 VanDerWaalsContact C-N 3.25Å; K233-R235 PolarHBondContact O-N 3.35Å
234	G	88.9	Confident	89.4	Confident	27 Å²	27	54.9 Å²	54.9	28%	0.278	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.5	-179	0	0	0	0	0	116.4	L164 E232	L164-G234 WeakPolarHBondContact O-CA 3.42Å; E232-G234 PolarHBondContact O-N 2.89Å; E232-G234 VanDerWaalsContact O-N 3.12Å
235	R	93.3	Very high	89.1	Confident	190 Å²	190	53.2 Å²	53.2	72%	0.717	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.9	177.4	-63.1	-177.9	179.8	179.1	-1.2	109.9	F231 E232 K233 L237	F231-R235 WeakPolarHBondContact CA-O 3.35Å; E232-R235 PolarHBondContact N-O 3.5Å; E232-R235 WeakPolarHBondContact O-CB 2.87Å; E232-R235 PolarHBondContact O-N 3.29Å; K233-R235 VanDerWaalsContact C-N 3.25Å; K233-R235 PolarHBondContact O-N 3.35Å; R235-L237 PolarHBondContact O-N 3.47Å
236	F	94.6	Very high	89.3	Confident	79 Å²	79	53.1 Å²	53.1	35%	0.346	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.2	166.5	171	-109	0	0	0	109.1	Y220 C229 F231 Q239	Y220-F236 HydrophobicContact CD1-CB 4.13Å; Y220-F236 HydrophobicContact CD1-CD1 4.46Å; Y220-F236 AromaticContact CD1-CD2 3.94Å; Y220-F236 HydrophobicContact CD1-CD2 3.94Å; Y220-F236 HydrophobicContact CD1-CE2 4.49Å; Y220-F236 AromaticContact CD1-CG 3.92Å; Y220-F236 HydrophobicContact CD1-CG 3.92Å; Y220-F236 HydrophobicContact CE1-CB 3.85Å; Y220-F236 HydrophobicContact CE1-CD2 4.43Å; Y220-F236 HydrophobicContact CE1-CG 4.17Å; C229-F236 HydrophobicContact CB-CD2 3.95Å; C229-F236 HydrophobicContact CB-CE2 3.79Å; F231-F236 HydrophobicContact CD1-CB 3.97Å; F231-F236 HydrophobicContact CE1-CB 3.62Å; F231-F236 HydrophobicContact CE1-CD2 4.34Å; F231-F236 HydrophobicContact CE1-CG 4.47Å; F231-F236 HydrophobicContact CE2-CD2 4.47Å; F231-F236 HydrophobicContact CZ-CB 4.22Å; F231-F236 HydrophobicContact CZ-CD2 4.13Å; F236-Q239 HydrophobicContact CE2-CG 4.29Å; F236-Q239 HydrophobicContact CZ-CG 4.14Å
237	L	93	Very high	89.2	Confident	75 Å²	75	52.9 Å²	52.9	39%	0.393	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-56.5	175.7	-60.9	-175.1	0	0	0	110.5	Y230 E232 R235	Y230-L237 HydrophobicContact CD1-CB 4.36Å; Y230-L237 HydrophobicContact CD1-CD1 4.07Å; Y230-L237 HydrophobicContact CE1-CD1 3.96Å; Y230-L237 PolarHBondContact O-N 3.33Å; E232-L237 HydrophobicContact CB-CD1 3.89Å; E232-L237 HydrophobicContact CG-CD1 3.72Å; R235-L237 PolarHBondContact O-N 3.47Å
238	F	90.2	Very high	89.1	Confident	25 Å²	25	56.6 Å²	56.6	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	171.3	-176	43.2	-100.7	0	0	0	113	Y230 W253 P257 Q258 P259 P260	Y230-F238 HydrophobicContact CD1-CD2 4.4Å; Y230-F238 HydrophobicContact CD1-CE1 4.32Å; Y230-F238 AromaticContact CD1-CE2 3.68Å; Y230-F238 HydrophobicContact CD1-CE2 3.68Å; Y230-F238 AromaticContact CD1-CZ 3.64Å; Y230-F238 HydrophobicContact CD1-CZ 3.64Å; Y230-F238 HydrophobicContact CE1-CZ 4.16Å; Y230-F238 HydrophobicContact CG-CE2 4.21Å; Y230-F238 PolarHBondContact N-O 3.3Å; F238-W253 HydrophobicContact CD2-CH2 4.4Å; F238-W253 HydrophobicContact CD2-CZ2 4.19Å; F238-W253 AromaticContact CE2-CH2 3.75Å; F238-W253 HydrophobicContact CE2-CH2 3.75Å; F238-W253 AromaticContact CE2-CZ2 3.57Å; F238-W253 HydrophobicContact CE2-CZ2 3.57Å; F238-P257 HydrophobicContact CE2-CB 4.21Å; F238-P257 HydrophobicContact CZ-CB 3.99Å; F238-Q258 VanDerWaalsContact CE2-C 3.43Å; F238-Q258 WeakPolarHBondContact CE2-O 3.47Å; F238-P259 HydrophobicContact CB-CB 4.39Å; F238-P259 VanDerWaalsContact CD1-CA 3.45Å; F238-P259 HydrophobicContact CD1-CB 3.62Å; F238-P259 HydrophobicContact CE1-CB 3.99Å; F238-P259 HydrophobicContact CE1-CG 4.47Å; F238-P259 VanDerWaalsContact CG-CA 3.47Å; F238-P259 HydrophobicContact CG-CB 4Å; F238-P260 HydrophobicContact CB-CG 4.22Å
239	Q	91	Very high	88.8	Confident	39 Å²	39	59.4 Å²	59.4	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	147.8	175.7	-62.7	-179.4	3.3	0	0	111.8	Y220 N221 T227 I228 F236	Y220-Q239 PolarHBondContact O-NE2 2.7Å; N221-Q239 PolarHBondContact O-NE2 3.21Å; T227-Q239 HydrophobicContact CG2-CG 4.24Å; I228-Q239 CarbonylContact O-C 3.38Å; I228-Q239 WeakPolarHBondContact O-CA 3.15Å; F236-Q239 HydrophobicContact CE2-CG 4.29Å; F236-Q239 HydrophobicContact CZ-CG 4.14Å
240	Y	88.7	Confident	88.7	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.1	169.7	171	-95.9	0	0	0	109.4	I228 N242 Y243 S245 W253	I228-Y240 HydrophobicContact CB-CD1 4.17Å; I228-Y240 HydrophobicContact CD1-CD1 3.94Å; I228-Y240 HydrophobicContact CD1-CE1 4.41Å; I228-Y240 HydrophobicContact CG2-CD1 4.15Å; I228-Y240 HydrophobicContact CG2-CG 4.37Å; I228-Y240 PolarHBondContact O-N 2.8Å; Y240-N242 HydrophobicContact CE1-CB 4.28Å; Y240-N242 WeakPolarHBondContact CE1-O 3.46Å; Y240-N242 HydrophobicContact CE2-CB 4.22Å; Y240-N242 PolarHBondContact OH-O 3.13Å; Y240-Y243 WeakPolarHBondContact O-CE1 3.16Å; Y240-Y243 PolarHBondContact O-OH 3.41Å; Y240-S245 WeakPolarHBondContact OH-CB 3.49Å; Y240-S245 PolarHBondContact OH-OG 2.57Å; Y240-W253 AromaticContact CD2-CD2 3.54Å; Y240-W253 HydrophobicContact CD2-CD2 3.54Å; Y240-W253 AromaticContact CD2-CE2 3.59Å; Y240-W253 AromaticContact CD2-CE3 3.83Å; Y240-W253 HydrophobicContact CD2-CE3 3.83Å; Y240-W253 AromaticContact CD2-CG 3.96Å; Y240-W253 HydrophobicContact CD2-CG 3.96Å; Y240-W253 HydrophobicContact CD2-CH2 4.18Å; Y240-W253 AromaticContact CD2-CZ2 3.88Å; Y240-W253 HydrophobicContact CD2-CZ2 3.88Å; Y240-W253 HydrophobicContact CD2-CZ3 4.16Å; Y240-W253 HydrophobicContact CE2-CB 4.12Å; Y240-W253 AromaticContact CE2-CD2 3.79Å; Y240-W253 HydrophobicContact CE2-CD2 3.79Å; Y240-W253 HydrophobicContact CE2-CE3 4.22Å; Y240-W253 AromaticContact CE2-CG 3.72Å; Y240-W253 HydrophobicContact CE2-CG 3.72Å
241	E	82.4	Confident	88.6	Confident	117 Å²	117	60.3 Å²	60.3	55%	0.547	30%	0.301	S	S	.	.			trans	-104.1	-11.2	-167.9	-63.2	-175.5	164.1	0	0	114.9	Y243 P260	E241-Y243 VanDerWaalsContact C-N 3.31Å; E241-Y243 WeakPolarHBondContact O-CD2 3.13Å; E241-Y243 WeakPolarHBondContact O-CE2 3.4Å; E241-Y243 PolarHBondContact O-N 2.9Å; E241-P260 VanDerWaalsContact CD-CB 3.45Å; E241-P260 HydrophobicContact CG-CB 4.1Å; E241-P260 WeakPolarHBondContact OE1-CB 3.34Å
242	N	80.4	Confident	88.4	Confident	80 Å²	80	66.6 Å²	66.6	43%	0.428	33%	0.33	S	S	.	.			trans	-81.5	75.5	-179.3	-175.4	8	0	0	0	111.5	Y240 A244 S245	Y240-N242 HydrophobicContact CE1-CB 4.28Å; Y240-N242 WeakPolarHBondContact CE1-O 3.46Å; Y240-N242 HydrophobicContact CE2-CB 4.22Å; Y240-N242 PolarHBondContact OH-O 3.13Å; N242-A244 PolarHBondContact O-N 2.72Å; N242-S245 WeakPolarHBondContact O-CB 3.35Å; N242-S245 PolarHBondContact O-N 3.27Å; N242-S245 PolarHBondContact O-OG 2.93Å; N242-S245 PolarHBondContact OD1-N 3.21Å
243	Y	74.3	Confident	88.3	Confident	63 Å²	63	65.2 Å²	65.2	25%	0.247	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.4	-177.4	-55.4	-66.9	0	0	0	114	M182 P226 I228 Y240 E241 S245	M182-Y243 VanDerWaalsContact CE-CB 3.41Å; M182-Y243 WeakPolarHBondContact CE-O 3.37Å; P226-Y243 HydrophobicContact CG-CD1 3.85Å; P226-Y243 HydrophobicContact CG-CE1 4.24Å; P226-Y243 WeakPolarHBondContact O-CE1 3.27Å; I228-Y243 HydrophobicContact CD1-CD1 4.22Å; I228-Y243 HydrophobicContact CD1-CE1 4.3Å; I228-Y243 HydrophobicContact CG1-CE1 4.23Å; Y240-Y243 WeakPolarHBondContact O-CE1 3.16Å; Y240-Y243 PolarHBondContact O-OH 3.41Å; E241-Y243 VanDerWaalsContact C-N 3.31Å; E241-Y243 WeakPolarHBondContact O-CD2 3.13Å; E241-Y243 WeakPolarHBondContact O-CE2 3.4Å; E241-Y243 PolarHBondContact O-N 2.9Å; Y243-S245 PolarHBondContact O-N 3.15Å
244	A	69.9	Low	88.5	Confident	86 Å²	86	56.9 Å²	56.9	71%	0.711	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	6.9	176.2	0	0	0	0	0	113.3	N242	N242-A244 PolarHBondContact O-N 2.72Å
245	S	76.3	Confident	88.7	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.014	31%	0.305	C	S	.	.			trans	-66.4	139.8	-173.9	58.3	0	0	0	0	114.3	Y240 N242 Y243 I250	Y240-S245 WeakPolarHBondContact OH-CB 3.49Å; Y240-S245 PolarHBondContact OH-OG 2.57Å; N242-S245 WeakPolarHBondContact O-CB 3.35Å; N242-S245 PolarHBondContact O-N 3.27Å; N242-S245 PolarHBondContact O-OG 2.93Å; N242-S245 PolarHBondContact OD1-N 3.21Å; Y243-S245 PolarHBondContact O-N 3.15Å; S245-I250 WeakPolarHBondContact OG-CG1 3.38Å
246	T	91.4	Very high	88.6	Confident	52 Å²	52	59.3 Å²	59.3	32%	0.319	30%	0.298	S	S	.	.			trans	-71.7	176	162.1	67.2	0	0	0	0	111.1	E248 D249 I250	T246-E248 VanDerWaalsContact C-N 3.28Å; T246-D249 WeakPolarHBondContact CB-OD2 3.36Å; T246-D249 PolarHBondContact N-OD2 3.09Å; T246-D249 PolarHBondContact O-N 3.12Å; T246-D249 PolarHBondContact OG1-N 2.06Å; T246-D249 PolarHBondContact OG1-OD2 3.3Å; T246-I250 WeakPolarHBondContact O-CG1 2.96Å; T246-I250 PolarHBondContact O-N 3.39Å
247	A	93.2	Very high	88.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-37.6	177.1	0	0	0	0	0	111.1	H189 K192 A193 I250 V251	H189-A247 HydrophobicContact CB-CB 4.45Å; H189-A247 WeakPolarHBondContact O-CB 3.41Å; K192-A247 HydrophobicContact CB-CB 3.74Å; K192-A247 HydrophobicContact CD-CB 3.71Å; K192-A247 HydrophobicContact CG-CB 3.82Å; A193-A247 HydrophobicContact CB-CB 4.35Å; A247-I250 PolarHBondContact O-N 3.26Å; A247-V251 VanDerWaalsContact O-CG2 3.22Å; A247-V251 WeakPolarHBondContact O-CG2 3.29Å; A247-V251 PolarHBondContact O-N 3.08Å
248	E	91.4	Very high	87.9	Confident	85 Å²	85	57.6 Å²	57.6	40%	0.397	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-42.7	179.1	-67.6	66.9	-150.7	0	0	110.9	K192 T246 I250 V251 E252	K192-E248 IonicContact NZ-OE1 2.98Å; K192-E248 PolarHBondContact NZ-OE1 3.49Å; K192-E248 IonicContact NZ-OE2 2.63Å; T246-E248 VanDerWaalsContact C-N 3.28Å; E248-I250 PolarHBondContact O-N 3.47Å; E248-V251 PolarHBondContact O-N 3.36Å; E248-E252 WeakPolarHBondContact O-CB 3.38Å; E248-E252 PolarHBondContact O-N 3.1Å
249	D	89.4	Confident	87.4	Confident	60 Å²	60	59.3 Å²	59.3	32%	0.321	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-43.4	175.6	-60.8	-41.7	0	0	0	111.8	T246 E252 W253	T246-D249 WeakPolarHBondContact CB-OD2 3.36Å; T246-D249 PolarHBondContact N-OD2 3.09Å; T246-D249 PolarHBondContact O-N 3.12Å; T246-D249 PolarHBondContact OG1-N 2.06Å; T246-D249 PolarHBondContact OG1-OD2 3.3Å; D249-E252 PolarHBondContact O-N 3.39Å; D249-W253 VanDerWaalsContact O-CB 3.29Å; D249-W253 WeakPolarHBondContact O-CB 3.39Å; D249-W253 PolarHBondContact O-N 2.99Å
250	I	94.4	Very high	86.3	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-44.9	176.9	-64.1	166.7	0	0	0	110	L172 H189 F190 A193 L203 S245 T246 A247 E248 W253 L254	L172-I250 HydrophobicContact CD2-CG2 3.98Å; H189-I250 HydrophobicContact CB-CD1 4.45Å; F190-I250 HydrophobicContact CD2-CD1 4.36Å; A193-I250 HydrophobicContact CB-CB 3.88Å; A193-I250 HydrophobicContact CB-CD1 4.28Å; A193-I250 HydrophobicContact CB-CG2 3.72Å; L203-I250 HydrophobicContact CD2-CG2 4.35Å; S245-I250 WeakPolarHBondContact OG-CG1 3.38Å; T246-I250 WeakPolarHBondContact O-CG1 2.96Å; T246-I250 PolarHBondContact O-N 3.39Å; A247-I250 PolarHBondContact O-N 3.26Å; E248-I250 PolarHBondContact O-N 3.47Å; I250-W253 PolarHBondContact O-N 3.38Å; I250-L254 HydrophobicContact CG2-CD1 3.97Å; I250-L254 HydrophobicContact CG2-CG 4.49Å; I250-L254 WeakPolarHBondContact O-CB 3.11Å; I250-L254 VanDerWaalsContact O-CG 3.26Å; I250-L254 WeakPolarHBondContact O-CG 2.86Å; I250-L254 PolarHBondContact O-N 2.89Å
251	V	95.3	Very high	84.9	Confident	21 Å²	21	66.3 Å²	66.3	13%	0.127	34%	0.342	C	S	.	.	H	α-helix	trans	-64.7	-42.8	179.5	170.6	0	0	0	0	111.5	A193 Q196 V197 A247 E248 L254 K255	A193-V251 HydrophobicContact CB-CG2 3.99Å; Q196-V251 HydrophobicContact CB-CG2 3.87Å; Q196-V251 VanDerWaalsContact OE1-CG2 3.28Å; V197-V251 HydrophobicContact CG1-CB 4.2Å; V197-V251 HydrophobicContact CG1-CG1 4.03Å; V197-V251 HydrophobicContact CG1-CG2 3.64Å; A247-V251 VanDerWaalsContact O-CG2 3.22Å; A247-V251 WeakPolarHBondContact O-CG2 3.29Å; A247-V251 PolarHBondContact O-N 3.08Å; E248-V251 PolarHBondContact O-N 3.36Å; V251-L254 PolarHBondContact O-N 3.47Å; V251-K255 PolarHBondContact O-N 3.29Å
252	E	91.9	Very high	83.5	Confident	133 Å²	133	65.9 Å²	65.9	62%	0.621	35%	0.349	S	S	*	.	H	α-helix	trans	-64.2	-45.2	177.3	-176	166.3	-159.1	0	0	111.3	E248 D249 L254 K255	E248-E252 WeakPolarHBondContact O-CB 3.38Å; E248-E252 PolarHBondContact O-N 3.1Å; D249-E252 PolarHBondContact O-N 3.39Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-L254 PolarHBondContact O-N 3.26Å; E252-K255 WeakPolarHBondContact O-CB 3.46Å; E252-K255 PolarHBondContact O-N 3.25Å; E252-K255 VanDerWaalsContact O-N 3.12Å
253	W	93.4	Very high	82.1	Confident	54 Å²	54	67.7 Å²	67.7	21%	0.205	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-40.6	175.9	-176.8	89.3	0	0	0	112.3	L172 Y230 F238 Y240 D249 I250 K255 N256 P257	L172-W253 HydrophobicContact CD1-CH2 4.32Å; L172-W253 HydrophobicContact CD1-CZ3 3.9Å; Y230-W253 HydrophobicContact CD1-CH2 4.34Å; Y230-W253 HydrophobicContact CD2-CH2 4.08Å; Y230-W253 AromaticContact CD2-CZ3 3.96Å; Y230-W253 HydrophobicContact CD2-CZ3 3.96Å; Y230-W253 HydrophobicContact CE2-CZ3 4.47Å; Y230-W253 AromaticContact CG-CH2 3.81Å; Y230-W253 HydrophobicContact CG-CH2 3.81Å; Y230-W253 HydrophobicContact CG-CZ3 4.19Å; F238-W253 HydrophobicContact CD2-CH2 4.4Å; F238-W253 HydrophobicContact CD2-CZ2 4.19Å; F238-W253 AromaticContact CE2-CH2 3.75Å; F238-W253 HydrophobicContact CE2-CH2 3.75Å; F238-W253 AromaticContact CE2-CZ2 3.57Å; F238-W253 HydrophobicContact CE2-CZ2 3.57Å; Y240-W253 AromaticContact CD2-CD2 3.54Å; Y240-W253 HydrophobicContact CD2-CD2 3.54Å; Y240-W253 AromaticContact CD2-CE2 3.59Å; Y240-W253 AromaticContact CD2-CE3 3.83Å; Y240-W253 HydrophobicContact CD2-CE3 3.83Å; Y240-W253 AromaticContact CD2-CG 3.96Å; Y240-W253 HydrophobicContact CD2-CG 3.96Å; Y240-W253 HydrophobicContact CD2-CH2 4.18Å; Y240-W253 AromaticContact CD2-CZ2 3.88Å; Y240-W253 HydrophobicContact CD2-CZ2 3.88Å; Y240-W253 HydrophobicContact CD2-CZ3 4.16Å; Y240-W253 HydrophobicContact CE2-CB 4.12Å; Y240-W253 AromaticContact CE2-CD2 3.79Å; Y240-W253 HydrophobicContact CE2-CD2 3.79Å; Y240-W253 HydrophobicContact CE2-CE3 4.22Å; Y240-W253 AromaticContact CE2-CG 3.72Å; Y240-W253 HydrophobicContact CE2-CG 3.72Å; D249-W253 VanDerWaalsContact O-CB 3.29Å; D249-W253 WeakPolarHBondContact O-CB 3.39Å; D249-W253 PolarHBondContact O-N 2.99Å; I250-W253 PolarHBondContact O-N 3.38Å; W253-K255 PolarHBondContact O-N 3.05Å; W253-N256 CarbonylContact O-C 3.5Å; W253-N256 PolarHBondContact O-N 3.24Å; W253-N256 VanDerWaalsContact O-N 3.07Å; W253-P257 HydrophobicContact CE3-CB 4.44Å; W253-P257 HydrophobicContact CH2-CB 3.88Å; W253-P257 HydrophobicContact CZ2-CB 4.12Å; W253-P257 HydrophobicContact CZ3-CB 4.04Å; W253-P257 HydrophobicContact CZ3-CG 4.42Å; W253-P257 WeakPolarHBondContact O-CA 3.17Å; W253-P257 VanDerWaalsContact O-N 3.11Å
254	L	94.7	Very high	80.6	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-62.6	-24.3	177.8	-76.1	167.4	0	0	0	113.6	L172 V197 F201 L203 Y230 I250 V251 E252 N256 P257	L172-L254 HydrophobicContact CB-CD2 4.38Å; L172-L254 HydrophobicContact CD2-CD2 4.38Å; V197-L254 HydrophobicContact CG1-CD1 4.01Å; V197-L254 HydrophobicContact CG2-CD1 4.25Å; F201-L254 HydrophobicContact CB-CD1 4.44Å; F201-L254 HydrophobicContact CD1-CB 4.21Å; F201-L254 HydrophobicContact CD1-CD2 3.78Å; F201-L254 HydrophobicContact CD1-CG 4.43Å; F201-L254 HydrophobicContact CD2-CB 4.4Å; F201-L254 HydrophobicContact CE1-CB 4.12Å; F201-L254 HydrophobicContact CE1-CD2 4.2Å; F201-L254 VanDerWaalsContact CE1-O 3.23Å; F201-L254 WeakPolarHBondContact CE1-O 3.1Å; F201-L254 HydrophobicContact CE2-CB 4.3Å; F201-L254 HydrophobicContact CG-CB 4.37Å; F201-L254 HydrophobicContact CG-CD1 4.4Å; F201-L254 HydrophobicContact CG-CD2 4.3Å; F201-L254 HydrophobicContact CZ-CB 4.17Å; F201-L254 WeakPolarHBondContact CZ-O 3.41Å; L203-L254 HydrophobicContact CD1-CD1 3.86Å; Y230-L254 HydrophobicContact CD2-CD2 4.47Å; Y230-L254 HydrophobicContact CE2-CD2 4.15Å; I250-L254 HydrophobicContact CG2-CD1 3.97Å; I250-L254 HydrophobicContact CG2-CG 4.49Å; I250-L254 WeakPolarHBondContact O-CB 3.11Å; I250-L254 VanDerWaalsContact O-CG 3.26Å; I250-L254 WeakPolarHBondContact O-CG 2.86Å; I250-L254 PolarHBondContact O-N 2.89Å; V251-L254 PolarHBondContact O-N 3.47Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-L254 PolarHBondContact O-N 3.26Å; L254-N256 VanDerWaalsContact C-N 3.29Å; L254-N256 PolarHBondContact O-N 3.47Å; L254-P257 WeakPolarHBondContact O-CD 3.4Å; L254-P257 WeakPolarHBondContact O-CG 2.91Å
255	K	93.1	Very high	79.6	Confident	162 Å²	162	70.7 Å²	70.7	70%	0.704	37%	0.373	S	S	*	.	H	α-helix	trans	-69.3	-29.3	175.5	-65.1	171.1	-174.4	171.4	0	112.5	V251 E252 W253	V251-K255 PolarHBondContact O-N 3.29Å; E252-K255 WeakPolarHBondContact O-CB 3.46Å; E252-K255 PolarHBondContact O-N 3.25Å; E252-K255 VanDerWaalsContact O-N 3.12Å; W253-K255 PolarHBondContact O-N 3.05Å
256	N	91.2	Very high	78.7	Confident	106 Å²	106	75.1 Å²	75.1	57%	0.567	39%	0.393	S	S	*	.	S	Bend	trans	-144.3	73.1	177.8	-174.3	27.8	0	0	0	110.8	W253 L254 Q258	W253-N256 CarbonylContact O-C 3.5Å; W253-N256 PolarHBondContact O-N 3.24Å; W253-N256 VanDerWaalsContact O-N 3.07Å; L254-N256 VanDerWaalsContact C-N 3.29Å; L254-N256 PolarHBondContact O-N 3.47Å; N256-Q258 PolarHBondContact O-N 3.1Å; N256-Q258 PolarHBondContact OD1-NE2 3.16Å
257	P	90.3	Very high	77.7	Confident	27 Å²	27	76.4 Å²	76.4	18%	0.175	40%	0.402	C	S	.	.			trans	-66.1	120.1	-178	-21.4	36.6	0	0	0	109.4	Y230 F238 W253 L254	Y230-P257 HydrophobicContact CD1-CB 4Å; Y230-P257 HydrophobicContact CE1-CB 3.54Å; Y230-P257 HydrophobicContact CE1-CG 3.91Å; Y230-P257 HydrophobicContact CE2-CB 4.34Å; Y230-P257 HydrophobicContact CE2-CG 4.11Å; Y230-P257 WeakPolarHBondContact OH-CG 3.29Å; F238-P257 HydrophobicContact CE2-CB 4.21Å; F238-P257 HydrophobicContact CZ-CB 3.99Å; W253-P257 HydrophobicContact CE3-CB 4.44Å; W253-P257 HydrophobicContact CH2-CB 3.88Å; W253-P257 HydrophobicContact CZ2-CB 4.12Å; W253-P257 HydrophobicContact CZ3-CB 4.04Å; W253-P257 HydrophobicContact CZ3-CG 4.42Å; W253-P257 WeakPolarHBondContact O-CA 3.17Å; W253-P257 VanDerWaalsContact O-N 3.11Å; L254-P257 WeakPolarHBondContact O-CD 3.4Å; L254-P257 WeakPolarHBondContact O-CG 2.91Å
258	Q	84	Confident	77.1	Confident	92 Å²	92	79.5 Å²	79.5	43%	0.43	42%	0.421	S	S	.	.			trans	-109.3	142.1	175.5	-65.6	-60.5	-42.4	0	0	108.7	F238 N256	F238-Q258 VanDerWaalsContact CE2-C 3.43Å; F238-Q258 WeakPolarHBondContact CE2-O 3.47Å; N256-Q258 PolarHBondContact O-N 3.1Å; N256-Q258 PolarHBondContact OD1-NE2 3.16Å
259	P	79.2	Confident	76.8	Confident	60 Å²	60	76.5 Å²	76.5	39%	0.39	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-51.7	145	166.8	24.2	-31.6	0	0	0	108.5	F238 Q261	F238-P259 HydrophobicContact CB-CB 4.39Å; F238-P259 VanDerWaalsContact CD1-CA 3.45Å; F238-P259 HydrophobicContact CD1-CB 3.62Å; F238-P259 HydrophobicContact CE1-CB 3.99Å; F238-P259 HydrophobicContact CE1-CG 4.47Å; F238-P259 VanDerWaalsContact CG-CA 3.47Å; F238-P259 HydrophobicContact CG-CB 4Å; P259-Q261 PolarHBondContact O-N 2.69Å
260	P	68.4	Low	76.7	Confident	41 Å²	41	76.2 Å²	76.2	27%	0.266	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-50	119	166.3	23.8	-29.2	0	0	0	103.6	F238 E241 P262	F238-P260 HydrophobicContact CB-CG 4.22Å; E241-P260 VanDerWaalsContact CD-CB 3.45Å; E241-P260 HydrophobicContact CG-CB 4.1Å; E241-P260 WeakPolarHBondContact OE1-CB 3.34Å; P260-P262 WeakPolarHBondContact O-CD 3.39Å
261	Q	59.2	Low	76.2	Confident	150 Å²	150	81.6 Å²	81.6	70%	0.701	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-54.6	123.9	-173.5	-71.2	-169.1	-13.1	0	0	104	P259 Q263	P259-Q261 PolarHBondContact O-N 2.69Å; Q261-Q263 PolarHBondContact O-N 2.76Å
262	P	52.3	Low	75.6	Confident	108 Å²	108	85.2 Å²	85.2	70%	0.701	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-48	123.3	163.5	20.5	-26.7	0	0	0	102.1	P260 V264	P260-P262 WeakPolarHBondContact O-CD 3.39Å; P262-V264 PolarHBondContact O-N 2.53Å
263	Q	49.9	Very low	74.8	Confident	117 Å²	117	81.3 Å²	81.3	55%	0.547	45%	0.452	S	S	.	.			trans	-49.9	102.9	-179	-70.8	173.4	10.4	0	0	103.2	Q261 P265	Q261-Q263 PolarHBondContact O-N 2.76Å; Q263-P265 WeakPolarHBondContact O-CD 3.4Å
264	V	43.9	Very low	74.5	Confident	99 Å²	99	81.8 Å²	81.8	60%	0.6	47%	0.474	S	S	*	.			trans	-47.6	122.5	163.5	-178.9	0	0	0	0	99.2	P262 E266	P262-V264 PolarHBondContact O-N 2.53Å; V264-E266 WeakPolarHBondContact O-CA 3.4Å; V264-E266 PolarHBondContact O-N 3.27Å
265	P	48.6	Very low	74.3	Confident	114 Å²	114	83.9 Å²	83.9	74%	0.74	49%	0.489	S	S	*	.			trans	-46.4	102	178.1	-24.4	31.1	0	0	0	103.8	Q263 T267	Q263-P265 WeakPolarHBondContact O-CD 3.4Å; P265-T267 PolarHBondContact O-N 3.48Å
266	E	58.6	Low	74.4	Confident	94 Å²	94	76.6 Å²	76.6	44%	0.439	46%	0.458	S	S	.	.			trans	-61.6	122.4	-178.3	-84.3	-176.1	164.7	0	0	98.4	V264 P268 K307	V264-E266 WeakPolarHBondContact O-CA 3.4Å; V264-E266 PolarHBondContact O-N 3.27Å; E266-P268 WeakPolarHBondContact O-CA 3.2Å; E266-P268 VanDerWaalsContact O-CD 3.22Å; E266-P268 WeakPolarHBondContact O-CD 2.81Å; E266-K307 IonicContact OE1-NZ 3.94Å; E266-K307 PolarHBondContact OE1-NZ 3.24Å; E266-K307 VanDerWaalsContact OE2-CE 3.26Å; E266-K307 WeakPolarHBondContact OE2-CE 3.43Å; E266-K307 IonicContact OE2-NZ 3.94Å; E266-K307 PolarHBondContact OE2-NZ 2.88Å; E266-K307 VanDerWaalsContact OE2-NZ 3.11Å
267	T	69.6	Low	74.6	Confident	80 Å²	80	76.3 Å²	76.3	49%	0.491	45%	0.45	S	S	.	.			trans	-38	113.4	176.9	-61.3	0	0	0	0	105.1	P265 W269 D271 E272	P265-T267 PolarHBondContact O-N 3.48Å; T267-W269 PolarHBondContact O-N 2.97Å; T267-D271 HydrophobicContact CG2-CB 3.51Å; T267-E272 HydrophobicContact CG2-CG 3.92Å
268	P	79.8	Confident	74.9	Confident	64 Å²	64	77.5 Å²	77.5	42%	0.416	45%	0.452	S	S	.	.			trans	-46.2	138.4	-170.5	-33.1	34.4	0	0	0	107.7	E266 A270 D271 E272	E266-P268 WeakPolarHBondContact O-CA 3.2Å; E266-P268 VanDerWaalsContact O-CD 3.22Å; E266-P268 WeakPolarHBondContact O-CD 2.81Å; P268-A270 CarbonylContact O-C 3.09Å; P268-A270 PolarHBondContact O-N 2.97Å; P268-D271 VanDerWaalsContact CD-OD2 3.26Å; P268-D271 WeakPolarHBondContact CD-OD2 3.26Å; P268-D271 VanDerWaalsContact CG-OD2 3.32Å; P268-D271 WeakPolarHBondContact CG-OD2 3.46Å; P268-D271 WeakPolarHBondContact O-CA 3.44Å; P268-D271 WeakPolarHBondContact O-CB 3.32Å; P268-D271 PolarHBondContact O-N 3.2Å; P268-E272 PolarHBondContact O-N 3.11Å
269	W	86.7	Confident	75.6	Confident	23 Å²	23	73.5 Å²	73.5	9%	0.087	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-53.2	-31.1	-171.9	-177.4	10.7	0	0	0	111.6	T267 D271 E272 V276 H278 M297 H299 K310 F313 E314 A332	T267-W269 PolarHBondContact O-N 2.97Å; W269-D271 VanDerWaalsContact C-N 3.28Å; W269-D271 PolarHBondContact O-N 3.22Å; W269-E272 PolarHBondContact O-N 3.02Å; W269-V276 HydrophobicContact CH2-CG1 4.39Å; W269-V276 HydrophobicContact CZ2-CB 4.26Å; W269-V276 HydrophobicContact CZ2-CG1 4.19Å; W269-V276 HydrophobicContact CZ2-CG2 4.03Å; W269-H278 VanDerWaalsContact C-CE1 3.47Å; W269-H278 AromaticContact CD1-CE1 3.77Å; W269-H278 AromaticContact CD1-NE2 3.78Å; W269-H278 AromaticContact CD2-CE1 3.47Å; W269-H278 VanDerWaalsContact CD2-CE1 3.47Å; W269-H278 AromaticContact CE2-CE1 3.92Å; W269-H278 AromaticContact CE3-CE1 3.92Å; W269-H278 AromaticContact CG-CE1 3.36Å; W269-H278 AromaticContact CG-NE2 3.85Å; W269-H278 AromaticContact NE1-NE2 3.92Å; W269-M297 HydrophobicContact CH2-SD 4.01Å; W269-M297 HydrophobicContact CZ3-SD 4.04Å; W269-H299 AromaticContact CE3-CD2 3.64Å; W269-H299 AromaticContact CE3-CE1 3.86Å; W269-H299 AromaticContact CE3-NE2 3.45Å; W269-H299 AromaticContact CZ3-CD2 3.66Å; W269-H299 AromaticContact CZ3-NE2 3.95Å; W269-K310 HydrophobicContact CD2-CD 3.86Å; W269-K310 HydrophobicContact CD2-CG 4.23Å; W269-K310 HydrophobicContact CE3-CD 4.46Å; W269-K310 HydrophobicContact CG-CD 4.02Å; W269-K310 HydrophobicContact CH2-CG 4.34Å; W269-K310 HydrophobicContact CZ2-CB 4.45Å; W269-K310 HydrophobicContact CZ2-CD 4.37Å; W269-K310 HydrophobicContact CZ2-CG 3.81Å; W269-K310 VanDerWaalsContact NE1-CE 3.32Å; W269-F313 HydrophobicContact CH2-CD1 4.02Å; W269-E314 HydrophobicContact CZ2-CG 3.75Å; W269-E314 PolarHBondContact NE1-OE1 2.99Å; W269-A332 HydrophobicContact CE3-CB 3.93Å; W269-A332 HydrophobicContact CH2-CB 3.87Å; W269-A332 HydrophobicContact CZ3-CB 3.5Å
270	A	85.9	Confident	76.4	Confident	54 Å²	54	72.9 Å²	72.9	45%	0.446	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-56.1	-33.7	170.2	0	0	0	0	0	115.6	P268 H278	P268-A270 CarbonylContact O-C 3.09Å; P268-A270 PolarHBondContact O-N 2.97Å; A270-H278 VanDerWaalsContact CA-CD2 3.47Å; A270-H278 WeakPolarHBondContact CA-CD2 3.26Å; A270-H278 VanDerWaalsContact CA-CG 3.44Å; A270-H278 HydrophobicContact CB-CB 3.66Å; A270-H278 PolarHBondContact N-CE1 3.29Å
271	D	84.8	Confident	77.5	Confident	113 Å²	113	73.8 Å²	73.8	60%	0.604	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-90.4	-12.3	-176.7	-62.1	-24.3	0	0	0	113.1	T267 P268 W269 G273	T267-D271 HydrophobicContact CG2-CB 3.51Å; P268-D271 VanDerWaalsContact CD-OD2 3.26Å; P268-D271 WeakPolarHBondContact CD-OD2 3.26Å; P268-D271 VanDerWaalsContact CG-OD2 3.32Å; P268-D271 WeakPolarHBondContact CG-OD2 3.46Å; P268-D271 WeakPolarHBondContact O-CA 3.44Å; P268-D271 WeakPolarHBondContact O-CB 3.32Å; P268-D271 PolarHBondContact O-N 3.2Å; W269-D271 VanDerWaalsContact C-N 3.28Å; W269-D271 PolarHBondContact O-N 3.22Å; D271-G273 PolarHBondContact O-N 3.34Å
272	E	83.1	Confident	79.2	Confident	97 Å²	97	74.2 Å²	74.2	45%	0.453	43%	0.434	S	S	.	.	S	Bend	trans	-74.4	-17.2	177.8	-68.5	-176.5	-145.6	0	0	112.9	T267 P268 W269 K310	T267-E272 HydrophobicContact CG2-CG 3.92Å; P268-E272 PolarHBondContact O-N 3.11Å; W269-E272 PolarHBondContact O-N 3.02Å; E272-K310 IonicContact OE1-NZ 3.08Å; E272-K310 PolarHBondContact OE1-NZ 2.86Å; E272-K310 IonicContact OE2-NZ 2.78Å; E272-K310 PolarHBondContact OE2-NZ 3.45Å
273	G	74.6	Confident	81.3	Confident	51 Å²	51	71.9 Å²	71.9	53%	0.526	42%	0.415	S	S	.	.			trans	72.7	153	-171.7	0	0	0	0	0	112.2	D271	D271-G273 PolarHBondContact O-N 3.34Å
274	G	86.9	Confident	83.6	Confident	65 Å²	65	66.3 Å²	66.3	67%	0.67	39%	0.39	S	S	*	.			trans	158.9	-178.7	-177.9	0	0	0	0	0	111.6
275	S	90.4	Very high	86.1	Confident	44 Å²	44	64.5 Å²	64.5	31%	0.308	38%	0.377	S	S	.	.	S	Bend	trans	-82.5	-19	177.2	-55.5	0	0	0	0	112.5	Y277 E318 H321	S275-Y277 PolarHBondContact O-N 3.31Å; S275-E318 WeakPolarHBondContact OG-CA 3.32Å; S275-H321 PolarHBondContact O-CE1 2.89Å; S275-H321 PolarHBondContact O-ND1 3.47Å
276	V	95.8	Very high	88.4	Confident	9 Å²	9	64 Å²	64	6%	0.055	36%	0.364	C	S	.	.	S	Bend	trans	-71.6	129.7	-179.4	179.9	0	0	0	0	110.3	W269 H278 F313 E314 A317 A332	W269-V276 HydrophobicContact CH2-CG1 4.39Å; W269-V276 HydrophobicContact CZ2-CB 4.26Å; W269-V276 HydrophobicContact CZ2-CG1 4.19Å; W269-V276 HydrophobicContact CZ2-CG2 4.03Å; V276-H278 PolarHBondContact O-CD2 3.13Å; V276-H278 VanDerWaalsContact O-CD2 3.26Å; V276-F313 HydrophobicContact CG1-CD1 4.3Å; V276-F313 HydrophobicContact CG1-CE1 4.18Å; V276-F313 HydrophobicContact CG2-CD1 3.99Å; V276-F313 HydrophobicContact CG2-CE1 4.49Å; V276-E314 HydrophobicContact CG2-CB 4.44Å; V276-E314 HydrophobicContact CG2-CG 4Å; V276-A317 HydrophobicContact CG2-CB 3.57Å; V276-A332 HydrophobicContact CG1-CB 3.71Å
277	Y	95.8	Very high	90.1	Very high	101 Å²	101	60.7 Å²	60.7	40%	0.396	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	135.8	172.4	-67.6	-80.6	0	0	0	110.4	S275 F287 H321 V329 L330 A331 A332	S275-Y277 PolarHBondContact O-N 3.31Å; Y277-F287 AromaticContact CD1-CE2 3.74Å; Y277-F287 HydrophobicContact CD1-CE2 3.74Å; Y277-F287 HydrophobicContact CD1-CZ 4.01Å; Y277-F287 HydrophobicContact CD2-CE2 4.16Å; Y277-F287 AromaticContact CD2-CZ 3.57Å; Y277-F287 HydrophobicContact CD2-CZ 3.57Å; Y277-F287 HydrophobicContact CE1-CE2 4.24Å; Y277-F287 HydrophobicContact CE2-CZ 4.16Å; Y277-F287 AromaticContact CG-CE2 3.68Å; Y277-F287 HydrophobicContact CG-CE2 3.68Å; Y277-F287 AromaticContact CG-CZ 3.48Å; Y277-F287 HydrophobicContact CG-CZ 3.48Å; Y277-F287 VanDerWaalsContact CG-CZ 3.48Å; Y277-H321 AromaticContact CD2-CE1 3.58Å; Y277-H321 AromaticContact CD2-NE2 3.87Å; Y277-H321 AromaticContact CE2-CE1 3.45Å; Y277-H321 VanDerWaalsContact CE2-CE1 3.45Å; Y277-H321 WeakPolarHBondContact CE2-CE1 3.48Å; Y277-H321 AromaticContact CE2-NE2 3.61Å; Y277-V329 HydrophobicContact CD2-CB 4.36Å; Y277-V329 HydrophobicContact CE2-CB 4.27Å; Y277-V329 HydrophobicContact CE2-CG1 4.25Å; Y277-L330 PolarHBondContact N-O 3.29Å; Y277-A331 CarbonylContact O-C 3.46Å; Y277-A331 WeakPolarHBondContact O-CA 3.22Å; Y277-A331 WeakPolarHBondContact O-CB 3.27Å; Y277-A332 PolarHBondContact O-N 2.94Å
278	H	96.4	Very high	91.4	Very high	51 Å²	51	57 Å²	57	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.4	176.5	-73.3	-88.9	0	0	0	109.5	W269 A270 V276 A332	W269-H278 VanDerWaalsContact C-CE1 3.47Å; W269-H278 AromaticContact CD1-CE1 3.77Å; W269-H278 AromaticContact CD1-NE2 3.78Å; W269-H278 AromaticContact CD2-CE1 3.47Å; W269-H278 VanDerWaalsContact CD2-CE1 3.47Å; W269-H278 AromaticContact CE2-CE1 3.92Å; W269-H278 AromaticContact CE3-CE1 3.92Å; W269-H278 AromaticContact CG-CE1 3.36Å; W269-H278 AromaticContact CG-NE2 3.85Å; W269-H278 AromaticContact NE1-NE2 3.92Å; A270-H278 VanDerWaalsContact CA-CD2 3.47Å; A270-H278 WeakPolarHBondContact CA-CD2 3.26Å; A270-H278 VanDerWaalsContact CA-CG 3.44Å; A270-H278 HydrophobicContact CB-CB 3.66Å; A270-H278 PolarHBondContact N-CE1 3.29Å; V276-H278 PolarHBondContact O-CD2 3.13Å; V276-H278 VanDerWaalsContact O-CD2 3.26Å; H278-A332 WeakPolarHBondContact CA-O 3.08Å
279	L	96.9	Very high	92	Very high	8 Å²	8	60.8 Å²	60.8	4%	0.042	34%	0.336	C	S	.	.			trans	-105.5	149.9	-175.5	-53.2	179.1	0	0	0	110.7	D283 F284 F287 V296 A331 A332 V333	L279-D283 WeakPolarHBondContact CA-OD1 3.34Å; L279-D283 WeakPolarHBondContact CB-OD1 3.36Å; L279-F284 HydrophobicContact CB-CD2 4.03Å; L279-F284 HydrophobicContact CD1-CD2 3.76Å; L279-F284 HydrophobicContact CD1-CE2 4.13Å; L279-F287 HydrophobicContact CD1-CB 4.35Å; L279-F287 HydrophobicContact CD1-CD1 3.66Å; L279-F287 HydrophobicContact CD1-CE1 4.23Å; L279-F287 HydrophobicContact CD1-CG 4.1Å; L279-F287 HydrophobicContact CD2-CB 3.75Å; L279-F287 HydrophobicContact CD2-CD1 3.7Å; L279-F287 HydrophobicContact CD2-CD2 3.59Å; L279-F287 HydrophobicContact CD2-CE1 4.2Å; L279-F287 HydrophobicContact CD2-CE2 4.1Å; L279-F287 HydrophobicContact CD2-CG 3.38Å; L279-F287 HydrophobicContact CD2-CZ 4.38Å; L279-F287 HydrophobicContact CG-CD1 4.3Å; L279-F287 HydrophobicContact CG-CG 4.39Å; L279-V296 HydrophobicContact CD1-CG2 4.48Å; L279-A331 HydrophobicContact CD1-CB 3.7Å; L279-A331 HydrophobicContact CG-CB 3.97Å; L279-A332 PolarHBondContact N-O 3.07Å; L279-V333 HydrophobicContact CB-CG2 3.87Å
280	T	96.1	Very high	92.4	Very high	47 Å²	47	65.8 Å²	65.8	29%	0.288	36%	0.36	S	S	.	.			trans	-123.7	168.3	-177.8	58.1	0	0	0	0	110.8	E282 D283 F284 N338 L341	T280-E282 WeakPolarHBondContact CB-OE2 3.38Å; T280-E282 PolarHBondContact O-N 2.59Å; T280-E282 VanDerWaalsContact O-N 3.11Å; T280-E282 PolarHBondContact OG1-OE2 2.89Å; T280-D283 PolarHBondContact N-OD1 2.65Å; T280-D283 PolarHBondContact N-OD2 3.19Å; T280-D283 PolarHBondContact O-N 3.5Å; T280-D283 PolarHBondContact OG1-N 2.99Å; T280-D283 PolarHBondContact OG1-OD1 2.96Å; T280-D283 PolarHBondContact OG1-OD2 3.3Å; T280-F284 VanDerWaalsContact O-CB 3.28Å; T280-F284 WeakPolarHBondContact O-CB 3.44Å; T280-F284 PolarHBondContact O-N 3.11Å; T280-N338 WeakPolarHBondContact CA-OD1 3.45Å; T280-L341 WeakPolarHBondContact O-CD1 3.31Å
281	D	92.4	Very high	92.7	Very high	60 Å²	60	65.4 Å²	65.4	32%	0.321	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.6	173.6	-76.4	-37.6	0	0	0	112.1	N338 G340 L341	D281-N338 PolarHBondContact N-OD1 2.8Å; D281-N338 VanDerWaalsContact OD2-CA 3.31Å; D281-N338 WeakPolarHBondContact OD2-CA 3.45Å; D281-G340 PolarHBondContact OD2-N 2.72Å; D281-L341 WeakPolarHBondContact OD1-CB 3.39Å; D281-L341 WeakPolarHBondContact OD1-CG 3.49Å; D281-L341 PolarHBondContact OD1-N 3.44Å
282	E	95.7	Very high	93	Very high	160 Å²	160	62.4 Å²	62.4	75%	0.748	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-39.2	-177.9	-63.5	78.8	-170.1	0	0	114.9	T280	T280-E282 WeakPolarHBondContact CB-OE2 3.38Å; T280-E282 PolarHBondContact O-N 2.59Å; T280-E282 VanDerWaalsContact O-N 3.11Å; T280-E282 PolarHBondContact OG1-OE2 2.89Å
283	D	96.4	Very high	93.5	Very high	58 Å²	58	58 Å²	58	31%	0.31	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-17.3	-170.9	63.3	35.3	0	0	0	114.3	L279 T280 D285 Q286 F287	L279-D283 WeakPolarHBondContact CA-OD1 3.34Å; L279-D283 WeakPolarHBondContact CB-OD1 3.36Å; T280-D283 PolarHBondContact N-OD1 2.65Å; T280-D283 PolarHBondContact N-OD2 3.19Å; T280-D283 PolarHBondContact O-N 3.5Å; T280-D283 PolarHBondContact OG1-N 2.99Å; T280-D283 PolarHBondContact OG1-OD1 2.96Å; T280-D283 PolarHBondContact OG1-OD2 3.3Å; D283-D285 PolarHBondContact O-N 3.26Å; D283-Q286 PolarHBondContact O-N 3.23Å; D283-F287 WeakPolarHBondContact O-CB 3.38Å; D283-F287 PolarHBondContact O-N 3.32Å
284	F	97.6	Very high	94.5	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-50.4	-168.2	-176.9	-81.8	0	0	0	113.1	L279 T280 Q286 F287 V288 V296 F298 V333 L341 F345 F356	L279-F284 HydrophobicContact CB-CD2 4.03Å; L279-F284 HydrophobicContact CD1-CD2 3.76Å; L279-F284 HydrophobicContact CD1-CE2 4.13Å; T280-F284 VanDerWaalsContact O-CB 3.28Å; T280-F284 WeakPolarHBondContact O-CB 3.44Å; T280-F284 PolarHBondContact O-N 3.11Å; F284-Q286 VanDerWaalsContact C-N 3.29Å; F284-Q286 PolarHBondContact O-N 3.42Å; F284-F287 PolarHBondContact O-N 2.87Å; F284-V288 HydrophobicContact CD1-CG1 4.2Å; F284-V288 HydrophobicContact CD1-CG2 4.42Å; F284-V288 HydrophobicContact CE1-CG1 3.81Å; F284-V288 HydrophobicContact CE1-CG2 4.29Å; F284-V288 HydrophobicContact CE2-CG1 4.49Å; F284-V288 HydrophobicContact CZ-CG1 3.98Å; F284-V288 WeakPolarHBondContact O-CG2 3.35Å; F284-V288 PolarHBondContact O-N 2.79Å; F284-V296 HydrophobicContact CE2-CG1 4.12Å; F284-V296 HydrophobicContact CE2-CG2 3.98Å; F284-V296 HydrophobicContact CZ-CG2 4.27Å; F284-F298 HydrophobicContact CE2-CZ 4.19Å; F284-V333 HydrophobicContact CD2-CG2 4.06Å; F284-V333 HydrophobicContact CE2-CG2 4.17Å; F284-L341 HydrophobicContact CB-CD1 3.83Å; F284-L341 HydrophobicContact CB-CD2 3.82Å; F284-L341 HydrophobicContact CB-CG 4.45Å; F284-L341 HydrophobicContact CD1-CD2 3.68Å; F284-L341 HydrophobicContact CD2-CD1 3.81Å; F284-L341 HydrophobicContact CD2-CD2 3.82Å; F284-L341 HydrophobicContact CD2-CG 4.49Å; F284-L341 HydrophobicContact CE1-CD2 4.2Å; F284-L341 HydrophobicContact CE2-CD2 4.29Å; F284-L341 HydrophobicContact CG-CD1 3.98Å; F284-L341 HydrophobicContact CG-CD2 3.49Å; F284-L341 VanDerWaalsContact CG-CD2 3.49Å; F284-L341 HydrophobicContact CG-CG 4.41Å; F284-L341 HydrophobicContact CZ-CD2 4.47Å; F284-F345 HydrophobicContact CD1-CE2 4.27Å; F284-F345 AromaticContact CE1-CE2 3.56Å; F284-F345 HydrophobicContact CE1-CE2 3.56Å; F284-F345 AromaticContact CE1-CZ 3.59Å; F284-F345 HydrophobicContact CE1-CZ 3.59Å; F284-F345 HydrophobicContact CE2-CE2 4.33Å; F284-F345 AromaticContact CZ-CE2 3.58Å; F284-F345 HydrophobicContact CZ-CE2 3.58Å; F284-F345 AromaticContact CZ-CZ 3.86Å; F284-F345 HydrophobicContact CZ-CZ 3.86Å; F284-F356 HydrophobicContact CE1-CE1 4.14Å; F284-F356 HydrophobicContact CE1-CE2 4.35Å; F284-F356 AromaticContact CE1-CZ 3.96Å; F284-F356 HydrophobicContact CE1-CZ 3.96Å; F284-F356 HydrophobicContact CE2-CE2 4.5Å; F284-F356 HydrophobicContact CZ-CD2 4.28Å; F284-F356 HydrophobicContact CZ-CE1 4.15Å; F284-F356 AromaticContact CZ-CE2 3.58Å; F284-F356 HydrophobicContact CZ-CE2 3.58Å; F284-F356 AromaticContact CZ-CZ 3.51Å; F284-F356 HydrophobicContact CZ-CZ 3.51Å
285	D	95.7	Very high	95	Very high	61 Å²	61	52.5 Å²	52.5	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-66.8	-31.2	-174.9	-81.2	-41.4	0	0	0	112.6	D283 K289 R344	D283-D285 PolarHBondContact O-N 3.26Å; D285-K289 VanDerWaalsContact O-CD 3.24Å; D285-K289 WeakPolarHBondContact O-CD 3.26Å; D285-K289 WeakPolarHBondContact O-CE 2.98Å; D285-K289 WeakPolarHBondContact O-CG 3.33Å; D285-R344 IonicContact OD1-CZ 3.79Å; D285-R344 VanDerWaalsContact OD1-CZ 3.29Å; D285-R344 IonicContact OD1-NH1 3.92Å; D285-R344 PolarHBondContact OD1-NH1 3.39Å; D285-R344 IonicContact OD1-NH2 3.11Å; D285-R344 PolarHBondContact OD1-NH2 2.92Å; D285-R344 IonicContact OD2-CZ 2.69Å; D285-R344 IonicContact OD2-NH1 2.7Å; D285-R344 PolarHBondContact OD2-NH1 3.17Å; D285-R344 IonicContact OD2-NH2 2.81Å
286	Q	96.2	Very high	95.4	Very high	103 Å²	103	50.4 Å²	50.4	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-74.5	-45.8	175.2	-174.1	60.8	27.9	0	0	109.7	D283 F284 V288 K289 E290	D283-Q286 PolarHBondContact O-N 3.23Å; F284-Q286 VanDerWaalsContact C-N 3.29Å; F284-Q286 PolarHBondContact O-N 3.42Å; Q286-V288 PolarHBondContact O-N 3.38Å; Q286-K289 WeakPolarHBondContact O-CB 3.41Å; Q286-K289 PolarHBondContact O-N 2.96Å; Q286-K289 VanDerWaalsContact O-N 3.1Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.37Å; Q286-E290 PolarHBondContact NE2-OE1 2.89Å; Q286-E290 WeakPolarHBondContact O-CG 3.35Å; Q286-E290 PolarHBondContact O-N 3.29Å
287	F	96.3	Very high	95.5	Very high	24 Å²	24	50 Å²	50	11%	0.105	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-47	-178.3	-172	-87.4	0	0	0	112.6	Y277 L279 D283 F284 K289 E290 H291 V294 V329 A331	Y277-F287 AromaticContact CD1-CE2 3.74Å; Y277-F287 HydrophobicContact CD1-CE2 3.74Å; Y277-F287 HydrophobicContact CD1-CZ 4.01Å; Y277-F287 HydrophobicContact CD2-CE2 4.16Å; Y277-F287 AromaticContact CD2-CZ 3.57Å; Y277-F287 HydrophobicContact CD2-CZ 3.57Å; Y277-F287 HydrophobicContact CE1-CE2 4.24Å; Y277-F287 HydrophobicContact CE2-CZ 4.16Å; Y277-F287 AromaticContact CG-CE2 3.68Å; Y277-F287 HydrophobicContact CG-CE2 3.68Å; Y277-F287 AromaticContact CG-CZ 3.48Å; Y277-F287 HydrophobicContact CG-CZ 3.48Å; Y277-F287 VanDerWaalsContact CG-CZ 3.48Å; L279-F287 HydrophobicContact CD1-CB 4.35Å; L279-F287 HydrophobicContact CD1-CD1 3.66Å; L279-F287 HydrophobicContact CD1-CE1 4.23Å; L279-F287 HydrophobicContact CD1-CG 4.1Å; L279-F287 HydrophobicContact CD2-CB 3.75Å; L279-F287 HydrophobicContact CD2-CD1 3.7Å; L279-F287 HydrophobicContact CD2-CD2 3.59Å; L279-F287 HydrophobicContact CD2-CE1 4.2Å; L279-F287 HydrophobicContact CD2-CE2 4.1Å; L279-F287 HydrophobicContact CD2-CG 3.38Å; L279-F287 HydrophobicContact CD2-CZ 4.38Å; L279-F287 HydrophobicContact CG-CD1 4.3Å; L279-F287 HydrophobicContact CG-CG 4.39Å; D283-F287 WeakPolarHBondContact O-CB 3.38Å; D283-F287 PolarHBondContact O-N 3.32Å; F284-F287 PolarHBondContact O-N 2.87Å; F287-K289 PolarHBondContact O-N 3.28Å; F287-E290 PolarHBondContact O-N 3.43Å; F287-H291 AromaticContact CD1-ND1 3.93Å; F287-H291 AromaticContact CD2-CE1 3.76Å; F287-H291 AromaticContact CD2-ND1 3.88Å; F287-H291 AromaticContact CE1-ND1 3.79Å; F287-H291 AromaticContact CE2-CE1 3.37Å; F287-H291 WeakPolarHBondContact CE2-CE1 3.03Å; F287-H291 AromaticContact CE2-ND1 3.74Å; F287-H291 AromaticContact CG-ND1 3.96Å; F287-H291 AromaticContact CZ-CE1 3.6Å; F287-H291 AromaticContact CZ-ND1 3.68Å; F287-H291 AromaticContact CZ-NE2 3.96Å; F287-H291 PolarHBondContact O-N 3.19Å; F287-H291 VanDerWaalsContact O-N 3.11Å; F287-H291 PolarHBondContact O-ND1 3.37Å; F287-V294 HydrophobicContact CD1-CG1 4.26Å; F287-V294 HydrophobicContact CD1-CG2 4.41Å; F287-V294 HydrophobicContact CE1-CG1 3.91Å; F287-V294 HydrophobicContact CE1-CG2 4.21Å; F287-V329 HydrophobicContact CE1-CG2 3.91Å; F287-V329 HydrophobicContact CZ-CG2 4.12Å; F287-A331 HydrophobicContact CE1-CB 4.37Å
288	V	96	Very high	95.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.024	22%	0.224	C	C	.	.	H	α-helix	trans	-70.9	-15.6	179.8	-59.3	0	0	0	0	113.8	F284 Q286 H291 V294 F356 G359	F284-V288 HydrophobicContact CD1-CG1 4.2Å; F284-V288 HydrophobicContact CD1-CG2 4.42Å; F284-V288 HydrophobicContact CE1-CG1 3.81Å; F284-V288 HydrophobicContact CE1-CG2 4.29Å; F284-V288 HydrophobicContact CE2-CG1 4.49Å; F284-V288 HydrophobicContact CZ-CG1 3.98Å; F284-V288 WeakPolarHBondContact O-CG2 3.35Å; F284-V288 PolarHBondContact O-N 2.79Å; Q286-V288 PolarHBondContact O-N 3.38Å; V288-H291 VanDerWaalsContact O-O 3.11Å; V288-V294 HydrophobicContact CG1-CG1 4.47Å; V288-V294 HydrophobicContact CG1-CG2 4.49Å; V288-F356 HydrophobicContact CB-CB 4.23Å; V288-F356 HydrophobicContact CB-CG 4.38Å; V288-F356 HydrophobicContact CG1-CB 4.26Å; V288-F356 HydrophobicContact CG1-CD2 4.23Å; V288-F356 HydrophobicContact CG1-CG 4.07Å; V288-G359 VanDerWaalsContact O-CA 3.24Å; V288-G359 WeakPolarHBondContact O-CA 3.48Å; V288-G359 PolarHBondContact O-N 3.36Å
289	K	93.1	Very high	95.4	Very high	142 Å²	142	43.3 Å²	43.3	62%	0.617	22%	0.215	S	C	*	.	H	α-helix	trans	-84.8	-36.7	172.5	-73.1	170.6	-170.3	164.4	0	112	D285 Q286 F287	D285-K289 VanDerWaalsContact O-CD 3.24Å; D285-K289 WeakPolarHBondContact O-CD 3.26Å; D285-K289 WeakPolarHBondContact O-CE 2.98Å; D285-K289 WeakPolarHBondContact O-CG 3.33Å; Q286-K289 WeakPolarHBondContact O-CB 3.41Å; Q286-K289 PolarHBondContact O-N 2.96Å; Q286-K289 VanDerWaalsContact O-N 3.1Å; F287-K289 PolarHBondContact O-N 3.28Å
290	E	93.3	Very high	94.8	Very high	128 Å²	128	42.9 Å²	42.9	60%	0.598	21%	0.213	S	C	*	.	H	α-helix	trans	-74	-29.5	179.7	-71.4	177.4	174.8	0	0	112.4	Q286 F287	Q286-E290 WeakPolarHBondContact CG-OE1 3.37Å; Q286-E290 PolarHBondContact NE2-OE1 2.89Å; Q286-E290 WeakPolarHBondContact O-CG 3.35Å; Q286-E290 PolarHBondContact O-N 3.29Å; F287-E290 PolarHBondContact O-N 3.43Å
291	H	92.8	Very high	94	Very high	46 Å²	46	42.7 Å²	42.7	21%	0.213	21%	0.213	C	C	.	.	S	Bend	trans	-104.9	124.5	179.4	-61.8	81.8	0	0	0	110.7	F287 V288 S293 V294 V329	F287-H291 AromaticContact CD1-ND1 3.93Å; F287-H291 AromaticContact CD2-CE1 3.76Å; F287-H291 AromaticContact CD2-ND1 3.88Å; F287-H291 AromaticContact CE1-ND1 3.79Å; F287-H291 AromaticContact CE2-CE1 3.37Å; F287-H291 WeakPolarHBondContact CE2-CE1 3.03Å; F287-H291 AromaticContact CE2-ND1 3.74Å; F287-H291 AromaticContact CG-ND1 3.96Å; F287-H291 AromaticContact CZ-CE1 3.6Å; F287-H291 AromaticContact CZ-ND1 3.68Å; F287-H291 AromaticContact CZ-NE2 3.96Å; F287-H291 PolarHBondContact O-N 3.19Å; F287-H291 VanDerWaalsContact O-N 3.11Å; F287-H291 PolarHBondContact O-ND1 3.37Å; V288-H291 VanDerWaalsContact O-O 3.11Å; H291-S293 VanDerWaalsContact C-N 3.29Å; H291-S293 PolarHBondContact O-N 3.44Å; H291-V294 HydrophobicContact CB-CG2 3.44Å; H291-V294 VanDerWaalsContact CB-CG2 3.44Å; H291-V329 HydrophobicContact CB-CG2 3.79Å
292	S	90.6	Very high	93.1	Very high	51 Å²	51	46.6 Å²	46.6	36%	0.357	22%	0.223	S	C	.	.	S	Bend	trans	-72.5	-18.6	-174.6	57.4	0	0	0	0	114.3	K357 N358	S292-K357 CarbonylContact O-C 3.54Å; S292-K357 VanDerWaalsContact O-CA 3.31Å; S292-K357 WeakPolarHBondContact O-CA 3.29Å; S292-N358 VanDerWaalsContact CB-OD1 3.29Å; S292-N358 WeakPolarHBondContact CB-OD1 3.18Å; S292-N358 PolarHBondContact O-N 3.04Å; S292-N358 PolarHBondContact O-OD1 2.67Å
293	S	94.1	Very high	92.4	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	106.7	-178.4	177	0	0	0	0	110	H291 G328 V329 Y355 F356 M377	H291-S293 VanDerWaalsContact C-N 3.29Å; H291-S293 PolarHBondContact O-N 3.44Å; S293-G328 CarbonylContact O-C 3.55Å; S293-G328 WeakPolarHBondContact O-CA 3.38Å; S293-V329 PolarHBondContact O-N 2.67Å; S293-Y355 WeakPolarHBondContact OG-CE2 3.37Å; S293-Y355 PolarHBondContact OG-OH 3.05Å; S293-F356 WeakPolarHBondContact CA-O 3.44Å; S293-M377 WeakPolarHBondContact OG-CE 3.27Å
294	V	96.6	Very high	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.2	-175.5	-171.7	0	0	0	0	110.8	F287 V288 H291 V296 V329 A331 Y355 F356	F287-V294 HydrophobicContact CD1-CG1 4.26Å; F287-V294 HydrophobicContact CD1-CG2 4.41Å; F287-V294 HydrophobicContact CE1-CG1 3.91Å; F287-V294 HydrophobicContact CE1-CG2 4.21Å; V288-V294 HydrophobicContact CG1-CG1 4.47Å; V288-V294 HydrophobicContact CG1-CG2 4.49Å; H291-V294 HydrophobicContact CB-CG2 3.44Å; H291-V294 VanDerWaalsContact CB-CG2 3.44Å; V294-V296 HydrophobicContact CG1-CG2 3.75Å; V294-V329 WeakPolarHBondContact CA-O 3.49Å; V294-V329 HydrophobicContact CB-CG2 4.16Å; V294-V329 HydrophobicContact CG1-CG2 4.09Å; V294-V329 HydrophobicContact CG2-CG2 3.69Å; V294-A331 HydrophobicContact CG1-CB 4.15Å; V294-Y355 CarbonylContact O-C 3.57Å; V294-Y355 WeakPolarHBondContact O-CA 3.31Å; V294-Y355 WeakPolarHBondContact O-CD2 3.29Å; V294-F356 HydrophobicContact CB-CB 4.36Å; V294-F356 PolarHBondContact N-O 2.91Å; V294-F356 PolarHBondContact O-N 3.23Å
295	L	97.3	Very high	90.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.2	169.3	176	65.7	0	0	0	109.8	F313 V329 L330 A331 L353 Y355 V364 L367 F373 W376 M377	L295-F313 HydrophobicContact CD2-CE2 4.27Å; L295-F313 HydrophobicContact CG-CE2 4.37Å; L295-F313 HydrophobicContact CG-CZ 4.46Å; L295-V329 PolarHBondContact N-O 2.86Å; L295-L330 HydrophobicContact CB-CD2 3.59Å; L295-L330 HydrophobicContact CD2-CD2 3.59Å; L295-L330 HydrophobicContact CG-CD2 3.74Å; L295-L330 WeakPolarHBondContact O-CA 3.48Å; L295-A331 PolarHBondContact O-N 3.45Å; L295-L353 HydrophobicContact CD1-CB 4.14Å; L295-Y355 HydrophobicContact CB-CD2 4.25Å; L295-V364 HydrophobicContact CD1-CG2 3.83Å; L295-L367 HydrophobicContact CD2-CD1 4.02Å; L295-F373 HydrophobicContact CD2-CD1 3.96Å; L295-W376 HydrophobicContact CB-CZ3 4.41Å; L295-W376 HydrophobicContact CD1-CZ3 4.07Å; L295-W376 HydrophobicContact CD2-CE3 4.24Å; L295-W376 HydrophobicContact CD2-CZ3 4.17Å; L295-W376 HydrophobicContact CG-CZ3 4.47Å; L295-M377 HydrophobicContact CB-CE 4.1Å; L295-M377 HydrophobicContact CB-SD 3.47Å; L295-M377 WeakPolarHBondContact CB-SD 3.49Å; L295-M377 HydrophobicContact CD2-CG 4.43Å; L295-M377 HydrophobicContact CD2-SD 4.09Å; L295-M377 HydrophobicContact CG-SD 4.37Å
296	V	98	Very high	90.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.4	-176.1	-171.8	0	0	0	0	110.8	L279 F284 V294 F298 A331 V333 L353 K354 F356	L279-V296 HydrophobicContact CD1-CG2 4.48Å; F284-V296 HydrophobicContact CE2-CG1 4.12Å; F284-V296 HydrophobicContact CE2-CG2 3.98Å; F284-V296 HydrophobicContact CZ-CG2 4.27Å; V294-V296 HydrophobicContact CG1-CG2 3.75Å; V296-F298 HydrophobicContact CB-CE2 4.15Å; V296-F298 HydrophobicContact CG1-CD2 4.14Å; V296-F298 HydrophobicContact CG1-CE2 3.74Å; V296-F298 HydrophobicContact CG1-CZ 4.19Å; V296-A331 CarbonylContact C-O 3.03Å; V296-A331 VanDerWaalsContact CA-O 3.28Å; V296-A331 WeakPolarHBondContact CA-O 3.29Å; V296-A331 HydrophobicContact CG2-CB 4.32Å; V296-V333 HydrophobicContact CG1-CB 4.38Å; V296-V333 HydrophobicContact CG1-CG2 3.7Å; V296-L353 CarbonylContact O-C 3.46Å; V296-L353 WeakPolarHBondContact O-CA 3.42Å; V296-K354 PolarHBondContact N-O 2.94Å; V296-K354 PolarHBondContact O-N 3.25Å; V296-F356 HydrophobicContact CB-CE2 4.36Å; V296-F356 HydrophobicContact CG2-CD2 3.85Å; V296-F356 HydrophobicContact CG2-CE2 3.82Å
297	M	97.6	Very high	89.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111.7	169.5	179.9	-179	171.4	0	0	110.9	W269 H299 C306 M309 F313 A331 A332 V333 P351 L353	W269-M297 HydrophobicContact CH2-SD 4.01Å; W269-M297 HydrophobicContact CZ3-SD 4.04Å; M297-H299 HydrophobicContact CE-CB 4.05Å; M297-H299 HydrophobicContact CG-CB 4.47Å; M297-C306 HydrophobicContact CE-CB 3.96Å; M297-M309 HydrophobicContact CE-CB 3.93Å; M297-M309 HydrophobicContact CE-CG 3.95Å; M297-M309 HydrophobicContact CE-SD 3.74Å; M297-M309 HydrophobicContact CG-SD 4.44Å; M297-M309 HydrophobicContact SD-CG 4.07Å; M297-M309 HydrophobicContact SD-SD 3.76Å; M297-F313 HydrophobicContact CB-CD1 4.38Å; M297-F313 HydrophobicContact CB-CE1 3.86Å; M297-F313 HydrophobicContact CB-CE2 4.04Å; M297-F313 HydrophobicContact CB-CZ 3.67Å; M297-F313 HydrophobicContact SD-CB 4.42Å; M297-F313 HydrophobicContact SD-CD1 4.32Å; M297-F313 HydrophobicContact SD-CD2 4.35Å; M297-F313 HydrophobicContact SD-CG 4.12Å; M297-A331 PolarHBondContact N-O 2.91Å; M297-A332 WeakPolarHBondContact O-CA 3.49Å; M297-V333 PolarHBondContact O-N 3.43Å; M297-P351 HydrophobicContact CE-CB 3.62Å; M297-P351 HydrophobicContact CE-CG 4.28Å; M297-P351 HydrophobicContact CG-CB 4.24Å; M297-L353 HydrophobicContact CB-CD2 3.87Å; M297-L353 HydrophobicContact CG-CD2 4.19Å
298	F	97.1	Very high	89.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.4	167.3	-69.1	-94.7	0	0	0	109.1	F284 V296 V333 A335 L341 F345 I347 P351 T352 K354	F284-F298 HydrophobicContact CE2-CZ 4.19Å; V296-F298 HydrophobicContact CB-CE2 4.15Å; V296-F298 HydrophobicContact CG1-CD2 4.14Å; V296-F298 HydrophobicContact CG1-CE2 3.74Å; V296-F298 HydrophobicContact CG1-CZ 4.19Å; F298-V333 WeakPolarHBondContact CA-O 3.46Å; F298-V333 HydrophobicContact CD1-CB 3.83Å; F298-V333 HydrophobicContact CD1-CG1 3.87Å; F298-V333 HydrophobicContact CE1-CB 3.85Å; F298-V333 HydrophobicContact CE1-CG1 3.78Å; F298-V333 HydrophobicContact CE1-CG2 4.15Å; F298-V333 HydrophobicContact CG-CB 4.47Å; F298-V333 HydrophobicContact CZ-CB 4.48Å; F298-V333 HydrophobicContact CZ-CG2 4.37Å; F298-A335 HydrophobicContact CB-CB 4.49Å; F298-A335 HydrophobicContact CD1-CB 4.28Å; F298-L341 HydrophobicContact CE1-CB 4.08Å; F298-F345 HydrophobicContact CE1-CD2 4.14Å; F298-F345 HydrophobicContact CE2-CD2 4.41Å; F298-F345 HydrophobicContact CZ-CB 4.32Å; F298-F345 AromaticContact CZ-CD2 3.55Å; F298-F345 HydrophobicContact CZ-CD2 3.55Å; F298-F345 HydrophobicContact CZ-CE2 4.2Å; F298-F345 HydrophobicContact CZ-CG 4.17Å; F298-I347 HydrophobicContact CB-CD1 4.01Å; F298-I347 HydrophobicContact CB-CG1 4.14Å; F298-I347 HydrophobicContact CB-CG2 4.05Å; F298-I347 HydrophobicContact CD1-CD1 4.06Å; F298-I347 HydrophobicContact CD1-CG1 3.74Å; F298-I347 HydrophobicContact CD2-CD1 3.83Å; F298-I347 HydrophobicContact CD2-CG1 4.43Å; F298-I347 HydrophobicContact CE1-CG1 4.26Å; F298-I347 HydrophobicContact CE2-CD1 4.34Å; F298-I347 HydrophobicContact CG-CD1 3.67Å; F298-I347 HydrophobicContact CG-CG1 3.84Å; F298-P351 WeakPolarHBondContact O-CA 3.29Å; F298-T352 PolarHBondContact N-O 2.75Å; F298-T352 PolarHBondContact O-N 2.03Å; F298-K354 HydrophobicContact CD2-CB 4.42Å; F298-K354 HydrophobicContact CD2-CG 3.85Å; F298-K354 HydrophobicContact CE2-CB 3.92Å; F298-K354 HydrophobicContact CE2-CG 3.56Å
299	H	93.1	Very high	89	Confident	11 Å²	11	48.5 Å²	48.5	5%	0.051	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	170.6	-174.7	72.1	86.3	0	0	0	112.6	W269 M297 C306 V333 D334 A335	W269-H299 AromaticContact CE3-CD2 3.64Å; W269-H299 AromaticContact CE3-CE1 3.86Å; W269-H299 AromaticContact CE3-NE2 3.45Å; W269-H299 AromaticContact CZ3-CD2 3.66Å; W269-H299 AromaticContact CZ3-NE2 3.95Å; M297-H299 HydrophobicContact CE-CB 4.05Å; M297-H299 HydrophobicContact CG-CB 4.47Å; H299-C306 HydrophobicContact CB-CB 4.05Å; H299-V333 PolarHBondContact CD2-O 2.83Å; H299-V333 VanDerWaalsContact CD2-O 3.23Å; H299-V333 PolarHBondContact N-O 2.99Å; H299-D334 IonicContact CE1-OD2 3.59Å; H299-A335 PolarHBondContact O-N 2.93Å
300	A	85.8	Confident	89	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.			trans	-131.7	136.1	167.9	0	0	0	0	0	108.7	W302 C303 T336 F350	A300-W302 HydrophobicContact CB-CD2 4.06Å; A300-W302 HydrophobicContact CB-CG 4.48Å; A300-W302 HydrophobicContact CB-CH2 4.37Å; A300-W302 HydrophobicContact CB-CZ2 3.78Å; A300-W302 PolarHBondContact O-N 3.14Å; A300-C303 HydrophobicContact CB-CB 4.16Å; A300-C303 WeakPolarHBondContact O-CB 3.46Å; A300-C303 PolarHBondContact O-N 2.66Å; A300-T336 HydrophobicContact CB-CG2 3.45Å; A300-T336 VanDerWaalsContact CB-CG2 3.45Å; A300-F350 HydrophobicContact CB-CD1 4.41Å; A300-F350 HydrophobicContact CB-CD2 3.67Å; A300-F350 HydrophobicContact CB-CE2 3.83Å; A300-F350 HydrophobicContact CB-CG 3.99Å; A300-F350 HydrophobicContact CB-CZ 4.27Å
301	P	78.5	Confident	89.1	Confident	43 Å²	43	41 Å²	41	28%	0.279	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.9	-176.4	-27.3	34.9	0	0	0	113	C303 K307 D334	P301-C303 VanDerWaalsContact C-N 3.28Å; P301-C303 PolarHBondContact O-N 3.41Å; P301-K307 WeakPolarHBondContact O-CE 3.35Å; P301-D334 VanDerWaalsContact CD-OD2 3.27Å; P301-D334 WeakPolarHBondContact CD-OD2 3.17Å; P301-D334 WeakPolarHBondContact CG-OD2 3.39Å
302	W	73.9	Confident	89.3	Confident	141 Å²	141	42.4 Å²	42.4	53%	0.534	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.3	-179.6	50.8	-101.1	0	0	0	114.4	A300 G304 F350	A300-W302 HydrophobicContact CB-CD2 4.06Å; A300-W302 HydrophobicContact CB-CG 4.48Å; A300-W302 HydrophobicContact CB-CH2 4.37Å; A300-W302 HydrophobicContact CB-CZ2 3.78Å; A300-W302 PolarHBondContact O-N 3.14Å; W302-G304 PolarHBondContact O-N 2.84Å; W302-F350 AromaticContact CH2-CD2 3.93Å; W302-F350 HydrophobicContact CH2-CD2 3.93Å; W302-F350 HydrophobicContact CH2-CE2 4.14Å; W302-F350 HydrophobicContact CZ2-CD2 4.19Å; W302-F350 HydrophobicContact CZ2-CE2 4.04Å
303	C	80.6	Confident	89.6	Confident	10 Å²	10	40 Å²	40	7%	0.068	20%	0.202	C	C	.	.			trans	-81	111.2	-174.8	-179.1	0	0	0	0	111.7	A300 P301 H305 C306 K307 F350	A300-C303 HydrophobicContact CB-CB 4.16Å; A300-C303 WeakPolarHBondContact O-CB 3.46Å; A300-C303 PolarHBondContact O-N 2.66Å; P301-C303 VanDerWaalsContact C-N 3.28Å; P301-C303 PolarHBondContact O-N 3.41Å; C303-H305 PolarHBondContact O-N 3.13Å; C303-C306 HydrophobicContact CB-CB 3.85Å; C303-C306 VanDerWaalsContact CB-SG 3.54Å; C303-C306 WeakPolarHBondContact O-CA 3.48Å; C303-C306 WeakPolarHBondContact O-CB 3.22Å; C303-C306 PolarHBondContact O-N 2.77Å; C303-K307 PolarHBondContact O-N 2.98Å; C303-F350 HydrophobicContact CB-CB 4.13Å
304	G	74.7	Confident	89.6	Confident	50 Å²	50	42 Å²	42	52%	0.515	21%	0.211	S	C	.	.	H	α-helix	trans	-57.8	-31.6	177.1	0	0	0	0	0	114.5	W302 K307 K308	W302-G304 PolarHBondContact O-N 2.84Å; G304-K307 PolarHBondContact O-N 3.23Å; G304-K308 PolarHBondContact O-N 2.85Å; G304-K308 VanDerWaalsContact O-N 3.11Å
305	H	79.3	Confident	89.5	Confident	122 Å²	122	42.6 Å²	42.6	57%	0.565	22%	0.217	S	C	*	.	H	α-helix	trans	-69.8	-34.8	173.6	-63.3	139.4	0	0	0	112.6	C303 M309	C303-H305 PolarHBondContact O-N 3.13Å; H305-M309 WeakPolarHBondContact O-CB 3.45Å; H305-M309 PolarHBondContact O-N 2.64Å; H305-M309 VanDerWaalsContact O-N 3.13Å
306	C	89.1	Confident	89.4	Confident	6 Å²	6	42.6 Å²	42.6	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-47.2	172.8	-65.7	0	0	0	0	110.5	M297 H299 C303 K308 M309 K310	M297-C306 HydrophobicContact CE-CB 3.96Å; H299-C306 HydrophobicContact CB-CB 4.05Å; C303-C306 HydrophobicContact CB-CB 3.85Å; C303-C306 VanDerWaalsContact CB-SG 3.54Å; C303-C306 WeakPolarHBondContact O-CA 3.48Å; C303-C306 WeakPolarHBondContact O-CB 3.22Å; C303-C306 PolarHBondContact O-N 2.77Å; C306-K308 PolarHBondContact O-N 3.01Å; C306-M309 PolarHBondContact O-N 2.82Å; C306-K310 PolarHBondContact O-N 2.83Å
307	K	85.1	Confident	89.2	Confident	87 Å²	87	42.6 Å²	42.6	38%	0.378	22%	0.217	S	C	.	.	H	α-helix	trans	-55.2	-39.7	176.9	-65.6	-172.6	-175	-160.7	0	112.4	E266 P301 C303 G304 P311	E266-K307 IonicContact OE1-NZ 3.94Å; E266-K307 PolarHBondContact OE1-NZ 3.24Å; E266-K307 VanDerWaalsContact OE2-CE 3.26Å; E266-K307 WeakPolarHBondContact OE2-CE 3.43Å; E266-K307 IonicContact OE2-NZ 3.94Å; E266-K307 PolarHBondContact OE2-NZ 2.88Å; E266-K307 VanDerWaalsContact OE2-NZ 3.11Å; P301-K307 WeakPolarHBondContact O-CE 3.35Å; C303-K307 PolarHBondContact O-N 2.98Å; G304-K307 PolarHBondContact O-N 3.23Å; K307-P311 VanDerWaalsContact O-CD 3.29Å; K307-P311 WeakPolarHBondContact O-CD 3.42Å
308	K	86.6	Confident	89.1	Confident	169 Å²	169	48.6 Å²	48.6	74%	0.735	25%	0.245	S	C	*	.	H	α-helix	trans	-71.2	-33.3	176.2	-171.2	172.9	-179.2	174.8	0	113.6	G304 C306	G304-K308 PolarHBondContact O-N 2.85Å; G304-K308 VanDerWaalsContact O-N 3.11Å; C306-K308 PolarHBondContact O-N 3.01Å
309	M	92.7	Very high	88.8	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-80.7	-32.1	-179.4	-179.9	177.4	-67.3	0	0	112.8	M297 H305 C306 E312 F313 P351 L353 R368 F373	M297-M309 HydrophobicContact CE-CB 3.93Å; M297-M309 HydrophobicContact CE-CG 3.95Å; M297-M309 HydrophobicContact CE-SD 3.74Å; M297-M309 HydrophobicContact CG-SD 4.44Å; M297-M309 HydrophobicContact SD-CG 4.07Å; M297-M309 HydrophobicContact SD-SD 3.76Å; H305-M309 WeakPolarHBondContact O-CB 3.45Å; H305-M309 PolarHBondContact O-N 2.64Å; H305-M309 VanDerWaalsContact O-N 3.13Å; C306-M309 PolarHBondContact O-N 2.82Å; M309-E312 WeakPolarHBondContact O-CB 3.05Å; M309-E312 PolarHBondContact O-N 3.33Å; M309-F313 PolarHBondContact O-N 3.46Å; M309-P351 HydrophobicContact CE-CB 4.31Å; M309-P351 HydrophobicContact CE-CG 3.43Å; M309-P351 VanDerWaalsContact CE-CG 3.43Å; M309-P351 HydrophobicContact SD-CB 3.97Å; M309-P351 HydrophobicContact SD-CG 3.68Å; M309-L353 HydrophobicContact SD-CD2 4.49Å; M309-R368 HydrophobicContact CE-CG 4.48Å; M309-F373 HydrophobicContact CG-CE2 4.46Å; M309-F373 HydrophobicContact CG-CZ 4.13Å; M309-F373 HydrophobicContact SD-CZ 4.1Å
310	K	93.3	Very high	88.7	Confident	36 Å²	36	50.8 Å²	50.8	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-44.3	-56.8	-178.5	170.9	169.6	167.6	169.3	0	113.8	W269 E272 C306 E312 F313 E314	W269-K310 HydrophobicContact CD2-CD 3.86Å; W269-K310 HydrophobicContact CD2-CG 4.23Å; W269-K310 HydrophobicContact CE3-CD 4.46Å; W269-K310 HydrophobicContact CG-CD 4.02Å; W269-K310 HydrophobicContact CH2-CG 4.34Å; W269-K310 HydrophobicContact CZ2-CB 4.45Å; W269-K310 HydrophobicContact CZ2-CD 4.37Å; W269-K310 HydrophobicContact CZ2-CG 3.81Å; W269-K310 VanDerWaalsContact NE1-CE 3.32Å; E272-K310 IonicContact OE1-NZ 3.08Å; E272-K310 PolarHBondContact OE1-NZ 2.86Å; E272-K310 IonicContact OE2-NZ 2.78Å; E272-K310 PolarHBondContact OE2-NZ 3.45Å; C306-K310 PolarHBondContact O-N 2.83Å; K310-E312 VanDerWaalsContact C-N 3.28Å; K310-E312 PolarHBondContact O-N 3.45Å; K310-F313 WeakPolarHBondContact O-CB 3.31Å; K310-F313 PolarHBondContact O-N 3.03Å; K310-E314 WeakPolarHBondContact CE-OE1 3.48Å; K310-E314 HydrophobicContact CG-CG 4.32Å; K310-E314 WeakPolarHBondContact O-CG 3.37Å; K310-E314 PolarHBondContact O-N 2.91Å
311	P	94.4	Very high	88.9	Confident	76 Å²	76	53.4 Å²	53.4	49%	0.494	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-31.2	-178.1	24.7	-35.2	0	0	0	113.5	K307 G315	K307-P311 VanDerWaalsContact O-CD 3.29Å; K307-P311 WeakPolarHBondContact O-CD 3.42Å; P311-G315 PolarHBondContact O-N 3.46Å; P311-G315 VanDerWaalsContact O-N 3.08Å
312	E	96.5	Very high	89	Confident	76 Å²	76	54.6 Å²	54.6	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-69.6	-36.3	175.2	-63	-71.7	151.4	0	0	111.6	M309 K310 A316 T369 K370 F373	M309-E312 WeakPolarHBondContact O-CB 3.05Å; M309-E312 PolarHBondContact O-N 3.33Å; K310-E312 VanDerWaalsContact C-N 3.28Å; K310-E312 PolarHBondContact O-N 3.45Å; E312-A316 WeakPolarHBondContact O-CB 3.27Å; E312-A316 PolarHBondContact O-N 3.17Å; E312-T369 WeakPolarHBondContact OE2-CA 3.29Å; E312-K370 WeakPolarHBondContact O-CA 3.22Å; E312-K370 WeakPolarHBondContact O-CB 3.47Å; E312-K370 WeakPolarHBondContact OE2-CB 3.43Å; E312-K370 PolarHBondContact OE2-N 3.38Å; E312-F373 HydrophobicContact CB-CE2 4.18Å
313	F	96.8	Very high	89.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-75.1	-44.5	-179.9	-157.8	-101.4	0	0	0	111.3	W269 V276 L295 M297 M309 K310 A316 A317 L330 A331 L353 F373	W269-F313 HydrophobicContact CH2-CD1 4.02Å; V276-F313 HydrophobicContact CG1-CD1 4.3Å; V276-F313 HydrophobicContact CG1-CE1 4.18Å; V276-F313 HydrophobicContact CG2-CD1 3.99Å; V276-F313 HydrophobicContact CG2-CE1 4.49Å; L295-F313 HydrophobicContact CD2-CE2 4.27Å; L295-F313 HydrophobicContact CG-CE2 4.37Å; L295-F313 HydrophobicContact CG-CZ 4.46Å; M297-F313 HydrophobicContact CB-CD1 4.38Å; M297-F313 HydrophobicContact CB-CE1 3.86Å; M297-F313 HydrophobicContact CB-CE2 4.04Å; M297-F313 HydrophobicContact CB-CZ 3.67Å; M297-F313 HydrophobicContact SD-CB 4.42Å; M297-F313 HydrophobicContact SD-CD1 4.32Å; M297-F313 HydrophobicContact SD-CD2 4.35Å; M297-F313 HydrophobicContact SD-CG 4.12Å; M309-F313 PolarHBondContact O-N 3.46Å; K310-F313 WeakPolarHBondContact O-CB 3.31Å; K310-F313 PolarHBondContact O-N 3.03Å; F313-A316 WeakPolarHBondContact O-CB 3.33Å; F313-A316 PolarHBondContact O-N 3.28Å; F313-A317 PolarHBondContact O-N 3.06Å; F313-L330 HydrophobicContact CD1-CB 4.41Å; F313-L330 HydrophobicContact CD2-CD2 4.35Å; F313-L330 HydrophobicContact CE1-CB 3.78Å; F313-L330 HydrophobicContact CE1-CD2 4.05Å; F313-L330 HydrophobicContact CE1-CG 4.37Å; F313-L330 HydrophobicContact CE2-CD2 3.56Å; F313-L330 HydrophobicContact CZ-CB 3.99Å; F313-L330 HydrophobicContact CZ-CD2 3.38Å; F313-L330 HydrophobicContact CZ-CG 4.17Å; F313-A331 WeakPolarHBondContact CE1-O 3.39Å; F313-L353 HydrophobicContact CE2-CD2 3.85Å; F313-L353 HydrophobicContact CZ-CD2 4.49Å; F313-F373 HydrophobicContact CB-CE2 4.38Å; F313-F373 HydrophobicContact CD2-CD1 4.16Å; F313-F373 HydrophobicContact CD2-CD2 4.18Å; F313-F373 AromaticContact CD2-CE1 3.82Å; F313-F373 HydrophobicContact CD2-CE1 3.82Å; F313-F373 AromaticContact CD2-CE2 3.88Å; F313-F373 HydrophobicContact CD2-CE2 3.88Å; F313-F373 HydrophobicContact CD2-CG 4.35Å; F313-F373 AromaticContact CD2-CZ 3.7Å; F313-F373 HydrophobicContact CD2-CZ 3.7Å; F313-F373 HydrophobicContact CE2-CD1 4.26Å; F313-F373 HydrophobicContact CE2-CE1 4.04Å; F313-F373 HydrophobicContact CE2-CZ 4.36Å
314	E	95.1	Very high	88.6	Confident	47 Å²	47	55 Å²	55	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-48.5	174.4	-70	174.3	148.2	0	0	111.9	W269 V276 K310 A316 A317 E318	W269-E314 HydrophobicContact CZ2-CG 3.75Å; W269-E314 PolarHBondContact NE1-OE1 2.99Å; V276-E314 HydrophobicContact CG2-CB 4.44Å; V276-E314 HydrophobicContact CG2-CG 4Å; K310-E314 WeakPolarHBondContact CE-OE1 3.48Å; K310-E314 HydrophobicContact CG-CG 4.32Å; K310-E314 WeakPolarHBondContact O-CG 3.37Å; K310-E314 PolarHBondContact O-N 2.91Å; E314-A316 PolarHBondContact O-N 2.87Å; E314-A317 WeakPolarHBondContact O-CB 3.48Å; E314-A317 PolarHBondContact O-N 3.49Å; E314-E318 PolarHBondContact O-N 3.13Å
315	G	94.1	Very high	88.3	Confident	11 Å²	11	60 Å²	60	11%	0.113	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-24	178.7	0	0	0	0	0	113	P311 V319 K370	P311-G315 PolarHBondContact O-N 3.46Å; P311-G315 VanDerWaalsContact O-N 3.08Å; G315-V319 WeakPolarHBondContact O-CG2 3.3Å; G315-K370 WeakPolarHBondContact O-CE 3.22Å; G315-K370 PolarHBondContact O-NZ 2.99Å
316	A	94.9	Very high	87.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-76.9	-38.6	170.8	0	0	0	0	0	111.7	E312 F313 E314 V319 L320 L330 K370 F373 I374	E312-A316 WeakPolarHBondContact O-CB 3.27Å; E312-A316 PolarHBondContact O-N 3.17Å; F313-A316 WeakPolarHBondContact O-CB 3.33Å; F313-A316 PolarHBondContact O-N 3.28Å; E314-A316 PolarHBondContact O-N 2.87Å; A316-V319 PolarHBondContact O-N 2.88Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 WeakPolarHBondContact O-CG 3.32Å; A316-L320 PolarHBondContact O-N 3.14Å; A316-L330 HydrophobicContact CB-CD1 3.59Å; A316-K370 HydrophobicContact CB-CG 4.26Å; A316-F373 HydrophobicContact CB-CB 3.63Å; A316-F373 HydrophobicContact CB-CD2 4.19Å; A316-F373 HydrophobicContact CB-CG 4.33Å; A316-I374 HydrophobicContact CB-CD1 4.49Å; A316-I374 HydrophobicContact CB-CG1 3.97Å
317	A	95.1	Very high	86.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-44.3	178.1	0	0	0	0	0	111.1	V276 F313 E314 V319 L320 H321 L330	V276-A317 HydrophobicContact CG2-CB 3.57Å; F313-A317 PolarHBondContact O-N 3.06Å; E314-A317 WeakPolarHBondContact O-CB 3.48Å; E314-A317 PolarHBondContact O-N 3.49Å; A317-V319 VanDerWaalsContact C-N 3.26Å; A317-V319 PolarHBondContact O-N 3.12Å; A317-L320 PolarHBondContact O-N 3.23Å; A317-H321 VanDerWaalsContact O-CB 3.27Å; A317-H321 WeakPolarHBondContact O-CB 3.28Å; A317-H321 PolarHBondContact O-N 3.18Å; A317-H321 PolarHBondContact O-ND1 3.22Å; A317-L330 HydrophobicContact CB-CB 3.86Å; A317-L330 HydrophobicContact CB-CD1 3.95Å; A317-L330 HydrophobicContact CB-CG 4.48Å; A317-L330 VanDerWaalsContact N-CD1 3.33Å
318	E	94	Very high	86.9	Confident	128 Å²	128	54.5 Å²	54.5	60%	0.598	32%	0.319	S	S	*	.	H	α-helix	trans	-55.1	-41.5	176	-173.7	-176.8	-165.1	0	0	112.4	S275 E314 G322	S275-E318 WeakPolarHBondContact OG-CA 3.32Å; E314-E318 PolarHBondContact O-N 3.13Å; E318-G322 PolarHBondContact O-N 3.2Å
319	V	91.6	Very high	87.3	Confident	56 Å²	56	47.2 Å²	47.2	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-72.1	-48.8	178.1	175.5	0	0	0	0	111	G315 A316 A317 H321 G322 D323 I374	G315-V319 WeakPolarHBondContact O-CG2 3.3Å; A316-V319 PolarHBondContact O-N 2.88Å; A317-V319 VanDerWaalsContact C-N 3.26Å; A317-V319 PolarHBondContact O-N 3.12Å; V319-H321 PolarHBondContact O-N 3.01Å; V319-G322 PolarHBondContact O-N 3.06Å; V319-D323 WeakPolarHBondContact O-CB 2.96Å; V319-D323 PolarHBondContact O-N 3.49Å; V319-I374 HydrophobicContact CB-CD1 3.95Å; V319-I374 HydrophobicContact CB-CG1 4.37Å; V319-I374 HydrophobicContact CG1-CD1 3.99Å; V319-I374 HydrophobicContact CG1-CG1 4.37Å; V319-I374 HydrophobicContact CG1-CG2 4.48Å; V319-I374 HydrophobicContact CG2-CD1 4.05Å
320	L	90.8	Very high	87.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-70.8	-30	-173.5	-72.4	168.7	0	0	0	113.3	A316 A317 S326 L330 I374 M377	A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 WeakPolarHBondContact O-CG 3.32Å; A316-L320 PolarHBondContact O-N 3.14Å; A317-L320 PolarHBondContact O-N 3.23Å; L320-S326 WeakPolarHBondContact CD2-OG 3.41Å; L320-S326 WeakPolarHBondContact O-CB 3.42Å; L320-S326 PolarHBondContact O-OG 2.96Å; L320-L330 HydrophobicContact CD1-CD1 3.72Å; L320-L330 HydrophobicContact CD1-CG 4.05Å; L320-I374 HydrophobicContact CD2-CG2 4.43Å; L320-I374 HydrophobicContact CG-CG1 4.35Å; L320-M377 HydrophobicContact CD1-CB 3.68Å; L320-M377 HydrophobicContact CD1-CG 3.72Å; L320-M377 HydrophobicContact CD2-CB 3.85Å; L320-M377 HydrophobicContact CG-CB 4.45Å
321	H	89.3	Confident	87.7	Confident	55 Å²	55	45.1 Å²	45.1	26%	0.255	28%	0.279	S	S	.	.	H	α-helix	trans	-85.1	-22.6	177.6	-61.1	162.6	0	0	0	113.2	S275 Y277 A317 V319 V329 L330	S275-H321 PolarHBondContact O-CE1 2.89Å; S275-H321 PolarHBondContact O-ND1 3.47Å; Y277-H321 AromaticContact CD2-CE1 3.58Å; Y277-H321 AromaticContact CD2-NE2 3.87Å; Y277-H321 AromaticContact CE2-CE1 3.45Å; Y277-H321 VanDerWaalsContact CE2-CE1 3.45Å; Y277-H321 WeakPolarHBondContact CE2-CE1 3.48Å; Y277-H321 AromaticContact CE2-NE2 3.61Å; A317-H321 VanDerWaalsContact O-CB 3.27Å; A317-H321 WeakPolarHBondContact O-CB 3.28Å; A317-H321 PolarHBondContact O-N 3.18Å; A317-H321 PolarHBondContact O-ND1 3.22Å; V319-H321 PolarHBondContact O-N 3.01Å; H321-V329 VanDerWaalsContact NE2-CA 3.26Å; H321-V329 WeakPolarHBondContact NE2-CA 3.29Å; H321-V329 VanDerWaalsContact NE2-CB 3.3Å; H321-V329 WeakPolarHBondContact NE2-CB 3.05Å; H321-L330 PolarHBondContact NE2-N 2.87Å; H321-L330 VanDerWaalsContact NE2-N 3.16Å
322	G	81.3	Confident	87.9	Confident	68 Å²	68	41.5 Å²	41.5	70%	0.701	26%	0.255	S	S	*	.	H	α-helix	trans	-85.4	-13.4	175.7	0	0	0	0	0	114.3	E318 V319	E318-G322 PolarHBondContact O-N 3.2Å; V319-G322 PolarHBondContact O-N 3.06Å
323	D	78	Confident	87.9	Confident	56 Å²	56	37.9 Å²	37.9	30%	0.299	24%	0.238	S	C	.	.			trans	-89.7	116.9	-179.7	-176.7	1.4	0	0	0	111.1	V319 D325 S326 H378	V319-D323 WeakPolarHBondContact O-CB 2.96Å; V319-D323 PolarHBondContact O-N 3.49Å; D323-D325 PolarHBondContact O-N 3.34Å; D323-D325 PolarHBondContact OD1-N 3.38Å; D323-S326 WeakPolarHBondContact O-CB 3.31Å; D323-S326 PolarHBondContact O-N 3.07Å; D323-S326 VanDerWaalsContact O-N 3.1Å; D323-H378 IonicContact OD2-CE1 3.49Å; D323-H378 PolarHBondContact OD2-CE1 3.3Å
324	A	67.8	Low	87.8	Confident	104 Å²	104	39 Å²	39	86%	0.86	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.1	-179.4	0	0	0	0	0	113.5
325	D	68.4	Low	87.6	Confident	154 Å²	154	37.1 Å²	37.1	82%	0.824	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.1	177.3	-67.2	-36.9	0	0	0	112.3	D323	D323-D325 PolarHBondContact O-N 3.34Å; D323-D325 PolarHBondContact OD1-N 3.38Å
326	S	68.6	Low	86.9	Confident	22 Å²	22	39.2 Å²	39.2	15%	0.154	25%	0.248	C	C	.	.			trans	-91.6	117.5	177.5	175.4	0	0	0	0	111.1	L320 D323 G328	L320-S326 WeakPolarHBondContact CD2-OG 3.41Å; L320-S326 WeakPolarHBondContact O-CB 3.42Å; L320-S326 PolarHBondContact O-OG 2.96Å; D323-S326 WeakPolarHBondContact O-CB 3.31Å; D323-S326 PolarHBondContact O-N 3.07Å; D323-S326 VanDerWaalsContact O-N 3.1Å; S326-G328 VanDerWaalsContact C-N 3.32Å; S326-G328 PolarHBondContact OG-N 3.06Å
327	S	70.4	Confident	86.6	Confident	78 Å²	78	45 Å²	45	55%	0.545	28%	0.277	S	S	.	.			trans	-88.3	-2	171.1	54.4	0	0	0	0	113.5
328	G	85.9	Confident	86.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.1	-172.4	0	0	0	0	0	112.9	S293 S326	S293-G328 CarbonylContact O-C 3.55Å; S293-G328 WeakPolarHBondContact O-CA 3.38Å; S326-G328 VanDerWaalsContact C-N 3.32Å; S326-G328 PolarHBondContact OG-N 3.06Å
329	V	94.3	Very high	86.2	Confident	15 Å²	15	46.6 Å²	46.6	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.6	173.8	-60.7	0	0	0	0	112	Y277 F287 H291 S293 V294 L295 H321	Y277-V329 HydrophobicContact CD2-CB 4.36Å; Y277-V329 HydrophobicContact CE2-CB 4.27Å; Y277-V329 HydrophobicContact CE2-CG1 4.25Å; F287-V329 HydrophobicContact CE1-CG2 3.91Å; F287-V329 HydrophobicContact CZ-CG2 4.12Å; H291-V329 HydrophobicContact CB-CG2 3.79Å; S293-V329 PolarHBondContact O-N 2.67Å; V294-V329 WeakPolarHBondContact CA-O 3.49Å; V294-V329 HydrophobicContact CB-CG2 4.16Å; V294-V329 HydrophobicContact CG1-CG2 4.09Å; V294-V329 HydrophobicContact CG2-CG2 3.69Å; L295-V329 PolarHBondContact N-O 2.86Å; H321-V329 VanDerWaalsContact NE2-CA 3.26Å; H321-V329 WeakPolarHBondContact NE2-CA 3.29Å; H321-V329 VanDerWaalsContact NE2-CB 3.3Å; H321-V329 WeakPolarHBondContact NE2-CB 3.05Å
330	L	97.2	Very high	86.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.4	172.8	-70.5	169.3	0	0	0	110.5	Y277 L295 F313 A316 A317 L320 H321	Y277-L330 PolarHBondContact N-O 3.29Å; L295-L330 HydrophobicContact CB-CD2 3.59Å; L295-L330 HydrophobicContact CD2-CD2 3.59Å; L295-L330 HydrophobicContact CG-CD2 3.74Å; L295-L330 WeakPolarHBondContact O-CA 3.48Å; F313-L330 HydrophobicContact CD1-CB 4.41Å; F313-L330 HydrophobicContact CD2-CD2 4.35Å; F313-L330 HydrophobicContact CE1-CB 3.78Å; F313-L330 HydrophobicContact CE1-CD2 4.05Å; F313-L330 HydrophobicContact CE1-CG 4.37Å; F313-L330 HydrophobicContact CE2-CD2 3.56Å; F313-L330 HydrophobicContact CZ-CB 3.99Å; F313-L330 HydrophobicContact CZ-CD2 3.38Å; F313-L330 HydrophobicContact CZ-CG 4.17Å; A316-L330 HydrophobicContact CB-CD1 3.59Å; A317-L330 HydrophobicContact CB-CB 3.86Å; A317-L330 HydrophobicContact CB-CD1 3.95Å; A317-L330 HydrophobicContact CB-CG 4.48Å; A317-L330 VanDerWaalsContact N-CD1 3.33Å; L320-L330 HydrophobicContact CD1-CD1 3.72Å; L320-L330 HydrophobicContact CD1-CG 4.05Å; H321-L330 PolarHBondContact NE2-N 2.87Å; H321-L330 VanDerWaalsContact NE2-N 3.16Å
331	A	97.6	Very high	86.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.3	179.8	0	0	0	0	0	111.5	Y277 L279 F287 V294 L295 V296 M297 F313	Y277-A331 CarbonylContact O-C 3.46Å; Y277-A331 WeakPolarHBondContact O-CA 3.22Å; Y277-A331 WeakPolarHBondContact O-CB 3.27Å; L279-A331 HydrophobicContact CD1-CB 3.7Å; L279-A331 HydrophobicContact CG-CB 3.97Å; F287-A331 HydrophobicContact CE1-CB 4.37Å; V294-A331 HydrophobicContact CG1-CB 4.15Å; L295-A331 PolarHBondContact O-N 3.45Å; V296-A331 CarbonylContact C-O 3.03Å; V296-A331 VanDerWaalsContact CA-O 3.28Å; V296-A331 WeakPolarHBondContact CA-O 3.29Å; V296-A331 HydrophobicContact CG2-CB 4.32Å; M297-A331 PolarHBondContact N-O 2.91Å; F313-A331 WeakPolarHBondContact CE1-O 3.39Å
332	A	97.5	Very high	86.5	Confident	0 Å²	0	44 Å²	44	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.1	178.4	0	0	0	0	0	110.6	W269 V276 Y277 H278 L279 M297	W269-A332 HydrophobicContact CE3-CB 3.93Å; W269-A332 HydrophobicContact CH2-CB 3.87Å; W269-A332 HydrophobicContact CZ3-CB 3.5Å; V276-A332 HydrophobicContact CG1-CB 3.71Å; Y277-A332 PolarHBondContact O-N 2.94Å; H278-A332 WeakPolarHBondContact CA-O 3.08Å; L279-A332 PolarHBondContact N-O 3.07Å; M297-A332 WeakPolarHBondContact O-CA 3.49Å
333	V	97.3	Very high	86.8	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.4	173.1	175.2	0	0	0	0	108	L279 F284 V296 M297 F298 H299 A335 N338 L341	L279-V333 HydrophobicContact CB-CG2 3.87Å; F284-V333 HydrophobicContact CD2-CG2 4.06Å; F284-V333 HydrophobicContact CE2-CG2 4.17Å; V296-V333 HydrophobicContact CG1-CB 4.38Å; V296-V333 HydrophobicContact CG1-CG2 3.7Å; M297-V333 PolarHBondContact O-N 3.43Å; F298-V333 WeakPolarHBondContact CA-O 3.46Å; F298-V333 HydrophobicContact CD1-CB 3.83Å; F298-V333 HydrophobicContact CD1-CG1 3.87Å; F298-V333 HydrophobicContact CE1-CB 3.85Å; F298-V333 HydrophobicContact CE1-CG1 3.78Å; F298-V333 HydrophobicContact CE1-CG2 4.15Å; F298-V333 HydrophobicContact CG-CB 4.47Å; F298-V333 HydrophobicContact CZ-CB 4.48Å; F298-V333 HydrophobicContact CZ-CG2 4.37Å; H299-V333 PolarHBondContact CD2-O 2.83Å; H299-V333 VanDerWaalsContact CD2-O 3.23Å; H299-V333 PolarHBondContact N-O 2.99Å; V333-A335 PolarHBondContact O-N 3.49Å; V333-N338 HydrophobicContact CG1-CB 3.86Å; V333-L341 HydrophobicContact CG1-CB 4.5Å; V333-L341 HydrophobicContact CG1-CD1 4.03Å; V333-L341 HydrophobicContact CG2-CD1 4.32Å
334	D	94.1	Very high	87.6	Confident	24 Å²	24	51.6 Å²	51.6	13%	0.128	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	100.9	167	-168.1	-27.6	0	0	0	108.8	H299 P301 T336 I337 N338	H299-D334 IonicContact CE1-OD2 3.59Å; P301-D334 VanDerWaalsContact CD-OD2 3.27Å; P301-D334 WeakPolarHBondContact CD-OD2 3.17Å; P301-D334 WeakPolarHBondContact CG-OD2 3.39Å; D334-T336 PolarHBondContact O-N 2.81Å; D334-T336 WeakPolarHBondContact OD1-CB 3.39Å; D334-T336 PolarHBondContact OD1-N 3.29Å; D334-T336 PolarHBondContact OD1-OG1 3.34Å; D334-I337 HydrophobicContact CB-CD1 4.49Å; D334-I337 PolarHBondContact O-N 2.86Å; D334-N338 WeakPolarHBondContact O-CB 3.39Å; D334-N338 PolarHBondContact O-N 2.68Å; D334-N338 PolarHBondContact O-ND2 2.79Å
335	A	90.8	Very high	88.7	Confident	8 Å²	8	47.1 Å²	47.1	7%	0.066	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.5	-177.2	0	0	0	0	0	113.1	F298 H299 V333 I337 A342 I347 F350	F298-A335 HydrophobicContact CB-CB 4.49Å; F298-A335 HydrophobicContact CD1-CB 4.28Å; H299-A335 PolarHBondContact O-N 2.93Å; V333-A335 PolarHBondContact O-N 3.49Å; A335-I337 VanDerWaalsContact C-N 3.35Å; A335-A342 HydrophobicContact CB-CB 4.01Å; A335-I347 HydrophobicContact CB-CG2 4.47Å; A335-F350 HydrophobicContact CB-CE1 3.52Å; A335-F350 HydrophobicContact CB-CZ 3.89Å
336	T	81.1	Confident	89.8	Confident	55 Å²	55	47.3 Å²	47.3	34%	0.337	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.9	174.2	70.1	0	0	0	0	112.7	A300 D334	A300-T336 HydrophobicContact CB-CG2 3.45Å; A300-T336 VanDerWaalsContact CB-CG2 3.45Å; D334-T336 PolarHBondContact O-N 2.81Å; D334-T336 WeakPolarHBondContact OD1-CB 3.39Å; D334-T336 PolarHBondContact OD1-N 3.29Å; D334-T336 PolarHBondContact OD1-OG1 3.34Å
337	I	88.4	Confident	90.7	Very high	120 Å²	120	47.3 Å²	47.3	62%	0.615	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-39.9	178.6	-55.3	172.7	0	0	0	110	D334 A335 E339	D334-I337 HydrophobicContact CB-CD1 4.49Å; D334-I337 PolarHBondContact O-N 2.86Å; A335-I337 VanDerWaalsContact C-N 3.35Å; I337-E339 PolarHBondContact O-N 3.38Å; I337-E339 VanDerWaalsContact O-N 3.17Å
338	N	91.4	Very high	91.1	Very high	16 Å²	16	49.2 Å²	49.2	9%	0.086	26%	0.261	C	S	.	.			trans	-90.8	69.7	-179.7	-59	-80.8	0	0	0	110.7	T280 D281 V333 D334 G340 L341 A342	T280-N338 WeakPolarHBondContact CA-OD1 3.45Å; D281-N338 PolarHBondContact N-OD1 2.8Å; D281-N338 VanDerWaalsContact OD2-CA 3.31Å; D281-N338 WeakPolarHBondContact OD2-CA 3.45Å; V333-N338 HydrophobicContact CG1-CB 3.86Å; D334-N338 WeakPolarHBondContact O-CB 3.39Å; D334-N338 PolarHBondContact O-N 2.68Å; D334-N338 PolarHBondContact O-ND2 2.79Å; N338-G340 VanDerWaalsContact C-N 3.27Å; N338-G340 PolarHBondContact O-N 3.05Å; N338-L341 HydrophobicContact CB-CB 4.47Å; N338-L341 HydrophobicContact CB-CD1 4.27Å; N338-L341 PolarHBondContact O-N 3.19Å; N338-A342 WeakPolarHBondContact O-CB 3.48Å; N338-A342 PolarHBondContact O-N 3.01Å
339	E	88.4	Confident	90.7	Very high	146 Å²	146	51.9 Å²	51.9	68%	0.682	28%	0.282	S	S	*	.	H	α-helix	trans	-62.3	-33.7	-175.2	-65.5	-174.3	176.4	0	0	112.2	I337 A342 E343	I337-E339 PolarHBondContact O-N 3.38Å; I337-E339 VanDerWaalsContact O-N 3.17Å; E339-A342 PolarHBondContact O-N 3.38Å; E339-E343 WeakPolarHBondContact O-CB 3.18Å; E339-E343 PolarHBondContact O-N 2.75Å
340	G	93.1	Very high	90.1	Very high	39 Å²	39	53.5 Å²	53.5	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-48	-179.3	0	0	0	0	0	112.2	D281 N338 R344	D281-G340 PolarHBondContact OD2-N 2.72Å; N338-G340 VanDerWaalsContact C-N 3.27Å; N338-G340 PolarHBondContact O-N 3.05Å; G340-R344 WeakPolarHBondContact O-CB 3.1Å; G340-R344 PolarHBondContact O-N 2.96Å
341	L	95	Very high	89.9	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-39.3	173.4	-72.6	168.3	0	0	0	112	T280 D281 F284 F298 V333 N338 E343 R344 F345	T280-L341 WeakPolarHBondContact O-CD1 3.31Å; D281-L341 WeakPolarHBondContact OD1-CB 3.39Å; D281-L341 WeakPolarHBondContact OD1-CG 3.49Å; D281-L341 PolarHBondContact OD1-N 3.44Å; F284-L341 HydrophobicContact CB-CD1 3.83Å; F284-L341 HydrophobicContact CB-CD2 3.82Å; F284-L341 HydrophobicContact CB-CG 4.45Å; F284-L341 HydrophobicContact CD1-CD2 3.68Å; F284-L341 HydrophobicContact CD2-CD1 3.81Å; F284-L341 HydrophobicContact CD2-CD2 3.82Å; F284-L341 HydrophobicContact CD2-CG 4.49Å; F284-L341 HydrophobicContact CE1-CD2 4.2Å; F284-L341 HydrophobicContact CE2-CD2 4.29Å; F284-L341 HydrophobicContact CG-CD1 3.98Å; F284-L341 HydrophobicContact CG-CD2 3.49Å; F284-L341 VanDerWaalsContact CG-CD2 3.49Å; F284-L341 HydrophobicContact CG-CG 4.41Å; F284-L341 HydrophobicContact CZ-CD2 4.47Å; F298-L341 HydrophobicContact CE1-CB 4.08Å; V333-L341 HydrophobicContact CG1-CB 4.5Å; V333-L341 HydrophobicContact CG1-CD1 4.03Å; V333-L341 HydrophobicContact CG2-CD1 4.32Å; N338-L341 HydrophobicContact CB-CB 4.47Å; N338-L341 HydrophobicContact CB-CD1 4.27Å; N338-L341 PolarHBondContact O-N 3.19Å; L341-E343 PolarHBondContact O-N 3.25Å; L341-R344 PolarHBondContact O-N 3.05Å; L341-F345 HydrophobicContact CB-CD2 4.45Å; L341-F345 HydrophobicContact CD2-CD2 4.13Å; L341-F345 HydrophobicContact CD2-CE2 3.6Å; L341-F345 WeakPolarHBondContact O-CB 3.41Å; L341-F345 VanDerWaalsContact O-CD2 3.31Å; L341-F345 WeakPolarHBondContact O-CD2 3.28Å; L341-F345 PolarHBondContact O-N 3.08Å
342	A	89.1	Confident	89.7	Confident	15 Å²	15	55.9 Å²	55.9	12%	0.124	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-44.7	177.5	0	0	0	0	0	111.7	A335 N338 E339 H346 I347	A335-A342 HydrophobicContact CB-CB 4.01Å; N338-A342 WeakPolarHBondContact O-CB 3.48Å; N338-A342 PolarHBondContact O-N 3.01Å; E339-A342 PolarHBondContact O-N 3.38Å; A342-H346 PolarHBondContact O-N 3.07Å; A342-H346 VanDerWaalsContact O-N 3.17Å; A342-I347 HydrophobicContact CB-CB 4.47Å; A342-I347 PolarHBondContact O-N 2.87Å
343	E	88.2	Confident	89.7	Confident	153 Å²	153	57 Å²	57	72%	0.715	31%	0.309	S	S	*	.	H	α-helix	trans	-66.8	-51.3	175.5	-174.7	176.2	-169.7	0	0	111.3	E339 L341 F345 H346	E339-E343 WeakPolarHBondContact O-CB 3.18Å; E339-E343 PolarHBondContact O-N 2.75Å; L341-E343 PolarHBondContact O-N 3.25Å; E343-F345 PolarHBondContact O-N 2.92Å; E343-H346 PolarHBondContact O-N 3.46Å; E343-H346 PolarHBondContact O-ND1 3.04Å; E343-H346 VanDerWaalsContact O-ND1 3.16Å
344	R	94.4	Very high	89.6	Confident	130 Å²	130	58.8 Å²	58.8	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-55.2	-38.4	-178.5	177.8	176.8	173.3	-173.3	-5.6	112.7	D285 G340 L341	D285-R344 IonicContact OD1-CZ 3.79Å; D285-R344 VanDerWaalsContact OD1-CZ 3.29Å; D285-R344 IonicContact OD1-NH1 3.92Å; D285-R344 PolarHBondContact OD1-NH1 3.39Å; D285-R344 IonicContact OD1-NH2 3.11Å; D285-R344 PolarHBondContact OD1-NH2 2.92Å; D285-R344 IonicContact OD2-CZ 2.69Å; D285-R344 IonicContact OD2-NH1 2.7Å; D285-R344 PolarHBondContact OD2-NH1 3.17Å; D285-R344 IonicContact OD2-NH2 2.81Å; G340-R344 WeakPolarHBondContact O-CB 3.1Å; G340-R344 PolarHBondContact O-N 2.96Å; L341-R344 PolarHBondContact O-N 3.05Å
345	F	92.4	Very high	89.7	Confident	11 Å²	11	57.9 Å²	57.9	5%	0.048	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.6	-178.9	-66.2	-62.3	0	0	0	114.4	F284 F298 L341 E343 I347 K354 F356 Q361	F284-F345 HydrophobicContact CD1-CE2 4.27Å; F284-F345 AromaticContact CE1-CE2 3.56Å; F284-F345 HydrophobicContact CE1-CE2 3.56Å; F284-F345 AromaticContact CE1-CZ 3.59Å; F284-F345 HydrophobicContact CE1-CZ 3.59Å; F284-F345 HydrophobicContact CE2-CE2 4.33Å; F284-F345 AromaticContact CZ-CE2 3.58Å; F284-F345 HydrophobicContact CZ-CE2 3.58Å; F284-F345 AromaticContact CZ-CZ 3.86Å; F284-F345 HydrophobicContact CZ-CZ 3.86Å; F298-F345 HydrophobicContact CE1-CD2 4.14Å; F298-F345 HydrophobicContact CE2-CD2 4.41Å; F298-F345 HydrophobicContact CZ-CB 4.32Å; F298-F345 AromaticContact CZ-CD2 3.55Å; F298-F345 HydrophobicContact CZ-CD2 3.55Å; F298-F345 HydrophobicContact CZ-CE2 4.2Å; F298-F345 HydrophobicContact CZ-CG 4.17Å; L341-F345 HydrophobicContact CB-CD2 4.45Å; L341-F345 HydrophobicContact CD2-CD2 4.13Å; L341-F345 HydrophobicContact CD2-CE2 3.6Å; L341-F345 WeakPolarHBondContact O-CB 3.41Å; L341-F345 VanDerWaalsContact O-CD2 3.31Å; L341-F345 WeakPolarHBondContact O-CD2 3.28Å; L341-F345 PolarHBondContact O-N 3.08Å; E343-F345 PolarHBondContact O-N 2.92Å; F345-I347 HydrophobicContact CB-CD1 3.92Å; F345-I347 HydrophobicContact CB-CG1 4.16Å; F345-I347 PolarHBondContact O-N 3.24Å; F345-K354 WeakPolarHBondContact O-CE 3.3Å; F345-K354 PolarHBondContact O-NZ 2.88Å; F345-F356 HydrophobicContact CD1-CZ 4.26Å; F345-F356 AromaticContact CE1-CE1 3.7Å; F345-F356 HydrophobicContact CE1-CE1 3.7Å; F345-F356 AromaticContact CE1-CZ 3.57Å; F345-F356 HydrophobicContact CE1-CZ 3.57Å; F345-F356 HydrophobicContact CE2-CZ 4.2Å; F345-F356 AromaticContact CZ-CE1 3.71Å; F345-F356 HydrophobicContact CZ-CE1 3.71Å; F345-F356 AromaticContact CZ-CZ 3.54Å; F345-F356 HydrophobicContact CZ-CZ 3.54Å; F345-Q361 VanDerWaalsContact CE1-OE1 3.32Å
346	H	90.1	Very high	89.9	Confident	157 Å²	157	57.8 Å²	57.8	73%	0.727	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	48.5	177.5	-54.6	-51.9	0	0	0	113.1	A342 E343 S348	A342-H346 PolarHBondContact O-N 3.07Å; A342-H346 VanDerWaalsContact O-N 3.17Å; E343-H346 PolarHBondContact O-N 3.46Å; E343-H346 PolarHBondContact O-ND1 3.04Å; E343-H346 VanDerWaalsContact O-ND1 3.16Å; H346-S348 PolarHBondContact O-N 3.31Å
347	I	87.4	Confident	90.5	Very high	23 Å²	23	59.8 Å²	59.8	12%	0.118	31%	0.314	C	S	.	.			trans	-77.6	106.5	-178.6	-50.6	-59	0	0	0	109.6	F298 A335 A342 F345 F350 T352	F298-I347 HydrophobicContact CB-CD1 4.01Å; F298-I347 HydrophobicContact CB-CG1 4.14Å; F298-I347 HydrophobicContact CB-CG2 4.05Å; F298-I347 HydrophobicContact CD1-CD1 4.06Å; F298-I347 HydrophobicContact CD1-CG1 3.74Å; F298-I347 HydrophobicContact CD2-CD1 3.83Å; F298-I347 HydrophobicContact CD2-CG1 4.43Å; F298-I347 HydrophobicContact CE1-CG1 4.26Å; F298-I347 HydrophobicContact CE2-CD1 4.34Å; F298-I347 HydrophobicContact CG-CD1 3.67Å; F298-I347 HydrophobicContact CG-CG1 3.84Å; A335-I347 HydrophobicContact CB-CG2 4.47Å; A342-I347 HydrophobicContact CB-CB 4.47Å; A342-I347 PolarHBondContact O-N 2.87Å; F345-I347 HydrophobicContact CB-CD1 3.92Å; F345-I347 HydrophobicContact CB-CG1 4.16Å; F345-I347 PolarHBondContact O-N 3.24Å; I347-F350 HydrophobicContact CG2-CD1 4.05Å; I347-F350 HydrophobicContact CG2-CE1 3.46Å; I347-F350 VanDerWaalsContact CG2-CE1 3.46Å; I347-F350 HydrophobicContact CG2-CZ 4.19Å; I347-T352 HydrophobicContact CD1-CG2 3.69Å
348	S	79.1	Confident	90.6	Very high	118 Å²	118	59.4 Å²	59.4	83%	0.825	31%	0.313	S	S	*	.			trans	-114.8	-4.9	-178.7	51.7	0	0	0	0	113.8	H346	H346-S348 PolarHBondContact O-N 3.31Å
349	A	77.2	Confident	90.5	Very high	55 Å²	55	60 Å²	60	46%	0.455	32%	0.323	S	S	.	.	S	Bend	trans	-151.1	155.7	179.4	0	0	0	0	0	111.3	T352	A349-T352 PolarHBondContact O-OG1 3.09Å
350	F	82.5	Confident	90.6	Very high	50 Å²	50	59.2 Å²	59.2	22%	0.219	32%	0.319	C	S	.	.	S	Bend	trans	-124.7	143.5	-177.4	-58.9	-61.8	0	0	0	112.8	A300 W302 C303 A335 I347	A300-F350 HydrophobicContact CB-CD1 4.41Å; A300-F350 HydrophobicContact CB-CD2 3.67Å; A300-F350 HydrophobicContact CB-CE2 3.83Å; A300-F350 HydrophobicContact CB-CG 3.99Å; A300-F350 HydrophobicContact CB-CZ 4.27Å; W302-F350 AromaticContact CH2-CD2 3.93Å; W302-F350 HydrophobicContact CH2-CD2 3.93Å; W302-F350 HydrophobicContact CH2-CE2 4.14Å; W302-F350 HydrophobicContact CZ2-CD2 4.19Å; W302-F350 HydrophobicContact CZ2-CE2 4.04Å; C303-F350 HydrophobicContact CB-CB 4.13Å; A335-F350 HydrophobicContact CB-CE1 3.52Å; A335-F350 HydrophobicContact CB-CZ 3.89Å; I347-F350 HydrophobicContact CG2-CD1 4.05Å; I347-F350 HydrophobicContact CG2-CE1 3.46Å; I347-F350 VanDerWaalsContact CG2-CE1 3.46Å; I347-F350 HydrophobicContact CG2-CZ 4.19Å
351	P	93.1	Very high	90.6	Very high	15 Å²	15	61.9 Å²	61.9	10%	0.097	32%	0.321	C	S	.	.	S	Bend	cis	-73.1	150.7	-14.5	29.1	-32.5	0	0	0	112.1	M297 F298 M309	M297-P351 HydrophobicContact CE-CB 3.62Å; M297-P351 HydrophobicContact CE-CG 4.28Å; M297-P351 HydrophobicContact CG-CB 4.24Å; F298-P351 WeakPolarHBondContact O-CA 3.29Å; M309-P351 HydrophobicContact CE-CB 4.31Å; M309-P351 HydrophobicContact CE-CG 3.43Å; M309-P351 VanDerWaalsContact CE-CG 3.43Å; M309-P351 HydrophobicContact SD-CB 3.97Å; M309-P351 HydrophobicContact SD-CG 3.68Å
352	T	93.9	Very high	90.4	Very high	34 Å²	34	65.1 Å²	65.1	21%	0.209	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.8	170.7	-70.9	0	0	0	0	109.7	F298 I347 A349 K354	F298-T352 PolarHBondContact N-O 2.75Å; F298-T352 PolarHBondContact O-N 2.03Å; I347-T352 HydrophobicContact CD1-CG2 3.69Å; A349-T352 PolarHBondContact O-OG1 3.09Å; T352-K354 HydrophobicContact CG2-CD 4.49Å
353	L	96.9	Very high	90.2	Very high	23 Å²	23	67 Å²	67	12%	0.12	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138.8	176	-61.6	173.1	0	0	0	109.9	L295 V296 M297 M309 F313 V364 L367 F373	L295-L353 HydrophobicContact CD1-CB 4.14Å; V296-L353 CarbonylContact O-C 3.46Å; V296-L353 WeakPolarHBondContact O-CA 3.42Å; M297-L353 HydrophobicContact CB-CD2 3.87Å; M297-L353 HydrophobicContact CG-CD2 4.19Å; M309-L353 HydrophobicContact SD-CD2 4.49Å; F313-L353 HydrophobicContact CE2-CD2 3.85Å; F313-L353 HydrophobicContact CZ-CD2 4.49Å; L353-V364 HydrophobicContact CB-CG1 3.94Å; L353-V364 HydrophobicContact CB-CG2 4.48Å; L353-V364 VanDerWaalsContact O-CG1 3.26Å; L353-V364 WeakPolarHBondContact O-CG1 3.39Å; L353-L367 HydrophobicContact CD1-CB 3.83Å; L353-F373 HydrophobicContact CD1-CE1 3.81Å; L353-F373 HydrophobicContact CD2-CE1 4.5Å
354	K	96.1	Very high	90.2	Very high	39 Å²	39	61.2 Å²	61.2	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.2	171.2	-61.2	-69.9	-176.8	159.1	0	108.4	V296 F298 F345 T352 F356	V296-K354 PolarHBondContact N-O 2.94Å; V296-K354 PolarHBondContact O-N 3.25Å; F298-K354 HydrophobicContact CD2-CB 4.42Å; F298-K354 HydrophobicContact CD2-CG 3.85Å; F298-K354 HydrophobicContact CE2-CB 3.92Å; F298-K354 HydrophobicContact CE2-CG 3.56Å; F345-K354 WeakPolarHBondContact O-CE 3.3Å; F345-K354 PolarHBondContact O-NZ 2.88Å; T352-K354 HydrophobicContact CG2-CD 4.49Å; K354-F356 HydrophobicContact CB-CE2 3.65Å; K354-F356 HydrophobicContact CB-CZ 4.06Å
355	Y	96	Very high	89.8	Confident	5 Å²	5	57.3 Å²	57.3	2%	0.02	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.7	178.9	173.7	-120.6	0	0	0	110.9	S293 V294 L295 K357 Q361 Q362 W376 M377 P380	S293-Y355 WeakPolarHBondContact OG-CE2 3.37Å; S293-Y355 PolarHBondContact OG-OH 3.05Å; V294-Y355 CarbonylContact O-C 3.57Å; V294-Y355 WeakPolarHBondContact O-CA 3.31Å; V294-Y355 WeakPolarHBondContact O-CD2 3.29Å; L295-Y355 HydrophobicContact CB-CD2 4.25Å; Y355-K357 HydrophobicContact CE1-CB 3.91Å; Y355-Q361 CarbonylContact O-C 3.59Å; Y355-Q361 WeakPolarHBondContact O-CA 3.48Å; Y355-Q362 HydrophobicContact CD1-CB 3.72Å; Y355-Q362 HydrophobicContact CD1-CG 4.4Å; Y355-Q362 HydrophobicContact CE1-CB 4.24Å; Y355-Q362 HydrophobicContact CE1-CG 4.5Å; Y355-Q362 PolarHBondContact O-N 3.46Å; Y355-W376 VanDerWaalsContact CB-CH2 3.48Å; Y355-W376 AromaticContact CD1-CH2 3.38Å; Y355-W376 HydrophobicContact CD1-CH2 3.38Å; Y355-W376 HydrophobicContact CD1-CZ2 4.09Å; Y355-W376 HydrophobicContact CD1-CZ3 4.22Å; Y355-W376 AromaticContact CD2-CH2 3.63Å; Y355-W376 HydrophobicContact CD2-CH2 3.63Å; Y355-W376 AromaticContact CD2-CZ3 3.63Å; Y355-W376 HydrophobicContact CD2-CZ3 3.63Å; Y355-W376 AromaticContact CE1-CH2 3.99Å; Y355-W376 HydrophobicContact CE1-CH2 3.99Å; Y355-W376 HydrophobicContact CE2-CH2 4.2Å; Y355-W376 HydrophobicContact CE2-CZ3 4.11Å; Y355-W376 AromaticContact CG-CH2 3.23Å; Y355-W376 HydrophobicContact CG-CH2 3.23Å; Y355-W376 HydrophobicContact CG-CZ2 4.32Å; Y355-W376 AromaticContact CG-CZ3 3.75Å; Y355-W376 HydrophobicContact CG-CZ3 3.75Å; Y355-M377 HydrophobicContact CD2-SD 4.35Å; Y355-M377 HydrophobicContact CE2-CE 4.21Å; Y355-M377 HydrophobicContact CE2-SD 4.2Å; Y355-P380 HydrophobicContact CE1-CB 3.76Å; Y355-P380 HydrophobicContact CE1-CG 4.37Å; Y355-P380 HydrophobicContact CE2-CB 4.36Å; Y355-P380 WeakPolarHBondContact OH-CB 3.3Å; Y355-P380 WeakPolarHBondContact OH-CG 3.2Å
356	F	95.1	Very high	89.5	Confident	6 Å²	6	61 Å²	61	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.6	-179.7	-59.6	-94.3	0	0	0	109	F284 V288 S293 V294 V296 F345 K354 E360 Q361	F284-F356 HydrophobicContact CE1-CE1 4.14Å; F284-F356 HydrophobicContact CE1-CE2 4.35Å; F284-F356 AromaticContact CE1-CZ 3.96Å; F284-F356 HydrophobicContact CE1-CZ 3.96Å; F284-F356 HydrophobicContact CE2-CE2 4.5Å; F284-F356 HydrophobicContact CZ-CD2 4.28Å; F284-F356 HydrophobicContact CZ-CE1 4.15Å; F284-F356 AromaticContact CZ-CE2 3.58Å; F284-F356 HydrophobicContact CZ-CE2 3.58Å; F284-F356 AromaticContact CZ-CZ 3.51Å; F284-F356 HydrophobicContact CZ-CZ 3.51Å; V288-F356 HydrophobicContact CB-CB 4.23Å; V288-F356 HydrophobicContact CB-CG 4.38Å; V288-F356 HydrophobicContact CG1-CB 4.26Å; V288-F356 HydrophobicContact CG1-CD2 4.23Å; V288-F356 HydrophobicContact CG1-CG 4.07Å; S293-F356 WeakPolarHBondContact CA-O 3.44Å; V294-F356 HydrophobicContact CB-CB 4.36Å; V294-F356 PolarHBondContact N-O 2.91Å; V294-F356 PolarHBondContact O-N 3.23Å; V296-F356 HydrophobicContact CB-CE2 4.36Å; V296-F356 HydrophobicContact CG2-CD2 3.85Å; V296-F356 HydrophobicContact CG2-CE2 3.82Å; F345-F356 HydrophobicContact CD1-CZ 4.26Å; F345-F356 AromaticContact CE1-CE1 3.7Å; F345-F356 HydrophobicContact CE1-CE1 3.7Å; F345-F356 AromaticContact CE1-CZ 3.57Å; F345-F356 HydrophobicContact CE1-CZ 3.57Å; F345-F356 HydrophobicContact CE2-CZ 4.2Å; F345-F356 AromaticContact CZ-CE1 3.71Å; F345-F356 HydrophobicContact CZ-CE1 3.71Å; F345-F356 AromaticContact CZ-CZ 3.54Å; F345-F356 HydrophobicContact CZ-CZ 3.54Å; K354-F356 HydrophobicContact CB-CE2 3.65Å; K354-F356 HydrophobicContact CB-CZ 4.06Å; F356-E360 CarbonylContact C-O 3.56Å; F356-E360 VanDerWaalsContact CA-O 3.28Å; F356-E360 WeakPolarHBondContact CA-O 3.36Å; F356-Q361 HydrophobicContact CD1-CB 4.01Å; F356-Q361 HydrophobicContact CD1-CG 4.49Å; F356-Q361 HydrophobicContact CE1-CB 3.74Å; F356-Q361 HydrophobicContact CE1-CG 3.99Å; F356-Q361 HydrophobicContact CZ-CB 4.44Å; F356-Q361 HydrophobicContact CZ-CG 4.2Å
357	K	92.7	Very high	89.6	Confident	97 Å²	97	54 Å²	54	42%	0.422	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.5	174.3	-170.1	174.5	-175.3	172	0	108	S292 Y355 G359 E360 Q362	S292-K357 CarbonylContact O-C 3.54Å; S292-K357 VanDerWaalsContact O-CA 3.31Å; S292-K357 WeakPolarHBondContact O-CA 3.29Å; Y355-K357 HydrophobicContact CE1-CB 3.91Å; K357-G359 VanDerWaalsContact C-N 3.27Å; K357-G359 PolarHBondContact O-N 2.6Å; K357-E360 PolarHBondContact N-O 3.24Å; K357-E360 PolarHBondContact O-N 3.31Å; K357-Q362 HydrophobicContact CB-CG 4.07Å
358	N	90.1	Very high	89.7	Confident	111 Å²	111	59.7 Å²	59.7	59%	0.594	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	44.3	-174.9	-54.1	-42.2	0	0	0	112.9	S292 E360	S292-N358 VanDerWaalsContact CB-OD1 3.29Å; S292-N358 WeakPolarHBondContact CB-OD1 3.18Å; S292-N358 PolarHBondContact O-N 3.04Å; S292-N358 PolarHBondContact O-OD1 2.67Å; N358-E360 PolarHBondContact O-N 3.11Å
359	G	90.1	Very high	90.4	Very high	29 Å²	29	56.7 Å²	56.7	30%	0.299	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	-7.8	-177.2	0	0	0	0	0	115.9	V288 K357	V288-G359 VanDerWaalsContact O-CA 3.24Å; V288-G359 WeakPolarHBondContact O-CA 3.48Å; V288-G359 PolarHBondContact O-N 3.36Å; K357-G359 VanDerWaalsContact C-N 3.27Å; K357-G359 PolarHBondContact O-N 2.6Å
360	E	90.8	Very high	91.2	Very high	130 Å²	130	57.6 Å²	57.6	61%	0.607	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.1	178.3	-64.8	-171.9	167.5	0	0	111.8	F356 K357 N358 Q362	F356-E360 CarbonylContact C-O 3.56Å; F356-E360 VanDerWaalsContact CA-O 3.28Å; F356-E360 WeakPolarHBondContact CA-O 3.36Å; K357-E360 PolarHBondContact N-O 3.24Å; K357-E360 PolarHBondContact O-N 3.31Å; N358-E360 PolarHBondContact O-N 3.11Å; E360-Q362 PolarHBondContact O-N 2.83Å
361	Q	92.4	Very high	91.8	Very high	95 Å²	95	61.7 Å²	61.7	44%	0.444	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.3	177.1	-168.6	-169.1	-48.5	0	0	110.8	F345 Y355 F356	F345-Q361 VanDerWaalsContact CE1-OE1 3.32Å; Y355-Q361 CarbonylContact O-C 3.59Å; Y355-Q361 WeakPolarHBondContact O-CA 3.48Å; F356-Q361 HydrophobicContact CD1-CB 4.01Å; F356-Q361 HydrophobicContact CD1-CG 4.49Å; F356-Q361 HydrophobicContact CE1-CB 3.74Å; F356-Q361 HydrophobicContact CE1-CG 3.99Å; F356-Q361 HydrophobicContact CZ-CB 4.44Å; F356-Q361 HydrophobicContact CZ-CG 4.2Å
362	Q	90.1	Very high	91.8	Very high	71 Å²	71	66.3 Å²	66.3	33%	0.332	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	160.6	176.8	-62.6	-64.4	-29.8	0	0	110.2	Y355 K357 E360	Y355-Q362 HydrophobicContact CD1-CB 3.72Å; Y355-Q362 HydrophobicContact CD1-CG 4.4Å; Y355-Q362 HydrophobicContact CE1-CB 4.24Å; Y355-Q362 HydrophobicContact CE1-CG 4.5Å; Y355-Q362 PolarHBondContact O-N 3.46Å; K357-Q362 HydrophobicContact CB-CG 4.07Å; E360-Q362 PolarHBondContact O-N 2.83Å
363	A	85.8	Confident	91.8	Very high	55 Å²	55	64.7 Å²	64.7	46%	0.455	34%	0.336	S	S	.	.			trans	-71.6	141.9	176.5	0	0	0	0	0	110.9	P383	A363-P383 HydrophobicContact CB-CG 3.49Å; A363-P383 VanDerWaalsContact CB-CG 3.49Å; A363-P383 WeakPolarHBondContact O-CD 3.36Å
364	V	88.9	Confident	91.6	Very high	32 Å²	32	64.9 Å²	64.9	19%	0.194	34%	0.337	C	S	.	.			trans	-124.7	135.4	179.6	62.1	0	0	0	0	109.7	L295 L353 L367 W376	L295-V364 HydrophobicContact CD1-CG2 3.83Å; L353-V364 HydrophobicContact CB-CG1 3.94Å; L353-V364 HydrophobicContact CB-CG2 4.48Å; L353-V364 VanDerWaalsContact O-CG1 3.26Å; L353-V364 WeakPolarHBondContact O-CG1 3.39Å; V364-L367 HydrophobicContact CG2-CD1 4.01Å; V364-W376 HydrophobicContact CB-CH2 4.04Å; V364-W376 HydrophobicContact CB-CZ2 4.18Å; V364-W376 HydrophobicContact CG2-CE3 4.47Å; V364-W376 HydrophobicContact CG2-CH2 3.64Å; V364-W376 HydrophobicContact CG2-CZ2 3.87Å; V364-W376 HydrophobicContact CG2-CZ3 4Å
365	P	85.9	Confident	91.3	Very high	48 Å²	48	68 Å²	68	31%	0.312	35%	0.352	S	S	.	.			trans	-69.7	170.7	174.4	29.6	-35.3	0	0	0	111.8	L367 W376	P365-L367 HydrophobicContact CG-CD2 3.97Å; P365-L367 HydrophobicContact CG-CG 4.17Å; P365-L367 PolarHBondContact O-N 3.5Å; P365-W376 HydrophobicContact CG-CG 4.36Å
366	A	86.2	Confident	91.1	Very high	88 Å²	88	69 Å²	69	73%	0.727	36%	0.356	S	S	*	.			trans	-71.7	100.2	173.6	0	0	0	0	0	111
367	L	91.2	Very high	90.9	Very high	11 Å²	11	69 Å²	69	6%	0.058	36%	0.355	C	S	.	.			trans	-103.4	139.2	177	-55	173.2	0	0	0	110	L295 L353 V364 P365 K372 F373 W376	L295-L367 HydrophobicContact CD2-CD1 4.02Å; L353-L367 HydrophobicContact CD1-CB 3.83Å; V364-L367 HydrophobicContact CG2-CD1 4.01Å; P365-L367 HydrophobicContact CG-CD2 3.97Å; P365-L367 HydrophobicContact CG-CG 4.17Å; P365-L367 PolarHBondContact O-N 3.5Å; L367-K372 HydrophobicContact CD2-CB 4.03Å; L367-F373 HydrophobicContact CB-CD1 3.6Å; L367-F373 HydrophobicContact CB-CE1 3.36Å; L367-F373 HydrophobicContact CB-CZ 4.26Å; L367-F373 HydrophobicContact CD1-CD1 3.96Å; L367-F373 HydrophobicContact CD1-CE1 4.4Å; L367-F373 HydrophobicContact CG-CD1 4.41Å; L367-W376 HydrophobicContact CD1-CB 3.97Å; L367-W376 HydrophobicContact CD1-CD2 3.84Å; L367-W376 HydrophobicContact CD1-CE3 3.83Å; L367-W376 HydrophobicContact CD1-CG 3.9Å; L367-W376 HydrophobicContact CD2-CB 4.12Å; L367-W376 HydrophobicContact CD2-CG 4.32Å
368	R	90.3	Very high	90.7	Very high	141 Å²	141	69 Å²	69	53%	0.532	36%	0.357	S	S	.	.			trans	-142.6	-8.2	-174.4	-65.9	-62.5	-179.6	118.6	-7.9	115.2	M309	M309-R368 HydrophobicContact CE-CG 4.48Å
369	T	93.1	Very high	90.5	Very high	56 Å²	56	68.4 Å²	68.4	34%	0.344	35%	0.354	S	S	.	.	S	Bend	trans	-135.1	149.9	-172.2	62.6	0	0	0	0	110.6	E312 K371 K372 F373	E312-T369 WeakPolarHBondContact OE2-CA 3.29Å; T369-K371 VanDerWaalsContact C-N 3.3Å; T369-K371 PolarHBondContact O-N 3.44Å; T369-K372 PolarHBondContact O-N 3.48Å; T369-K372 WeakPolarHBondContact OG1-CG 3.49Å; T369-F373 VanDerWaalsContact C-CD2 3.47Å; T369-F373 WeakPolarHBondContact O-CD2 3.33Å; T369-F373 PolarHBondContact O-N 2.78Å
370	K	94.7	Very high	90.2	Very high	73 Å²	73	68.1 Å²	68.1	32%	0.317	35%	0.347	S	S	.	.	H	α-helix	trans	-46.7	-52.5	179.9	171.9	169.1	171.8	154	0	111.9	E312 G315 A316 K372 F373 I374	E312-K370 WeakPolarHBondContact O-CA 3.22Å; E312-K370 WeakPolarHBondContact O-CB 3.47Å; E312-K370 WeakPolarHBondContact OE2-CB 3.43Å; E312-K370 PolarHBondContact OE2-N 3.38Å; G315-K370 WeakPolarHBondContact O-CE 3.22Å; G315-K370 PolarHBondContact O-NZ 2.99Å; A316-K370 HydrophobicContact CB-CG 4.26Å; K370-K372 VanDerWaalsContact C-N 3.33Å; K370-K372 PolarHBondContact O-N 2.91Å; K370-F373 PolarHBondContact O-N 3.17Å; K370-I374 HydrophobicContact CG-CD1 3.74Å; K370-I374 WeakPolarHBondContact O-CG1 3.45Å; K370-I374 PolarHBondContact O-N 3.36Å
371	K	93.7	Very high	89.6	Confident	137 Å²	137	68 Å²	68	60%	0.596	35%	0.346	S	S	*	.	H	α-helix	trans	-55.9	-45.1	179.1	179.8	174.1	173.5	175.5	0	112.5	T369 I374 E375	T369-K371 VanDerWaalsContact C-N 3.3Å; T369-K371 PolarHBondContact O-N 3.44Å; K371-I374 PolarHBondContact O-N 3.21Å; K371-E375 WeakPolarHBondContact CE-OE1 3.35Å; K371-E375 HydrophobicContact CG-CG 4.3Å; K371-E375 IonicContact NZ-OE1 3.88Å; K371-E375 WeakPolarHBondContact O-CB 3.28Å; K371-E375 VanDerWaalsContact O-CG 3.31Å; K371-E375 WeakPolarHBondContact O-CG 3.47Å; K371-E375 PolarHBondContact O-N 3.16Å
372	K	93.6	Very high	88.3	Confident	111 Å²	111	66.6 Å²	66.6	48%	0.483	35%	0.351	S	S	.	.	H	α-helix	trans	-70.2	-34.2	-178.9	-74.7	-172.7	173.6	-169.2	0	112.6	L367 T369 K370 W376	L367-K372 HydrophobicContact CD2-CB 4.03Å; T369-K372 PolarHBondContact O-N 3.48Å; T369-K372 WeakPolarHBondContact OG1-CG 3.49Å; K370-K372 VanDerWaalsContact C-N 3.33Å; K370-K372 PolarHBondContact O-N 2.91Å; K372-W376 WeakPolarHBondContact O-CB 3.26Å; K372-W376 PolarHBondContact O-N 2.9Å; K372-W376 VanDerWaalsContact O-N 3.12Å
373	F	94.7	Very high	87.1	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-48.8	173	-64.3	-55.9	0	0	0	110.7	L295 M309 E312 F313 A316 L353 L367 T369 K370 W376 M377	L295-F373 HydrophobicContact CD2-CD1 3.96Å; M309-F373 HydrophobicContact CG-CE2 4.46Å; M309-F373 HydrophobicContact CG-CZ 4.13Å; M309-F373 HydrophobicContact SD-CZ 4.1Å; E312-F373 HydrophobicContact CB-CE2 4.18Å; F313-F373 HydrophobicContact CB-CE2 4.38Å; F313-F373 HydrophobicContact CD2-CD1 4.16Å; F313-F373 HydrophobicContact CD2-CD2 4.18Å; F313-F373 AromaticContact CD2-CE1 3.82Å; F313-F373 HydrophobicContact CD2-CE1 3.82Å; F313-F373 AromaticContact CD2-CE2 3.88Å; F313-F373 HydrophobicContact CD2-CE2 3.88Å; F313-F373 HydrophobicContact CD2-CG 4.35Å; F313-F373 AromaticContact CD2-CZ 3.7Å; F313-F373 HydrophobicContact CD2-CZ 3.7Å; F313-F373 HydrophobicContact CE2-CD1 4.26Å; F313-F373 HydrophobicContact CE2-CE1 4.04Å; F313-F373 HydrophobicContact CE2-CZ 4.36Å; A316-F373 HydrophobicContact CB-CB 3.63Å; A316-F373 HydrophobicContact CB-CD2 4.19Å; A316-F373 HydrophobicContact CB-CG 4.33Å; L353-F373 HydrophobicContact CD1-CE1 3.81Å; L353-F373 HydrophobicContact CD2-CE1 4.5Å; L367-F373 HydrophobicContact CB-CD1 3.6Å; L367-F373 HydrophobicContact CB-CE1 3.36Å; L367-F373 HydrophobicContact CB-CZ 4.26Å; L367-F373 HydrophobicContact CD1-CD1 3.96Å; L367-F373 HydrophobicContact CD1-CE1 4.4Å; L367-F373 HydrophobicContact CG-CD1 4.41Å; T369-F373 VanDerWaalsContact C-CD2 3.47Å; T369-F373 WeakPolarHBondContact O-CD2 3.33Å; T369-F373 PolarHBondContact O-N 2.78Å; K370-F373 PolarHBondContact O-N 3.17Å; F373-W376 PolarHBondContact O-N 3.03Å; F373-M377 WeakPolarHBondContact O-CB 3.11Å; F373-M377 VanDerWaalsContact O-CG 3.22Å; F373-M377 WeakPolarHBondContact O-CG 3.49Å; F373-M377 PolarHBondContact O-N 3.17Å
374	I	92.2	Very high	86.1	Confident	27 Å²	27	68 Å²	68	14%	0.138	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-54.9	179.4	-64.6	163.7	0	0	0	110.9	A316 V319 L320 K370 K371 W376 M377 H378	A316-I374 HydrophobicContact CB-CD1 4.49Å; A316-I374 HydrophobicContact CB-CG1 3.97Å; V319-I374 HydrophobicContact CB-CD1 3.95Å; V319-I374 HydrophobicContact CB-CG1 4.37Å; V319-I374 HydrophobicContact CG1-CD1 3.99Å; V319-I374 HydrophobicContact CG1-CG1 4.37Å; V319-I374 HydrophobicContact CG1-CG2 4.48Å; V319-I374 HydrophobicContact CG2-CD1 4.05Å; L320-I374 HydrophobicContact CD2-CG2 4.43Å; L320-I374 HydrophobicContact CG-CG1 4.35Å; K370-I374 HydrophobicContact CG-CD1 3.74Å; K370-I374 WeakPolarHBondContact O-CG1 3.45Å; K370-I374 PolarHBondContact O-N 3.36Å; K371-I374 PolarHBondContact O-N 3.21Å; I374-W376 VanDerWaalsContact C-N 3.26Å; I374-W376 PolarHBondContact O-N 3.04Å; I374-M377 PolarHBondContact O-N 3.1Å; I374-H378 WeakPolarHBondContact CG2-NE2 3.36Å; I374-H378 PolarHBondContact O-CD2 2.77Å; I374-H378 PolarHBondContact O-N 2.93Å; I374-H378 VanDerWaalsContact O-N 3.09Å
375	E	90.6	Very high	84.9	Confident	105 Å²	105	71.8 Å²	71.8	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-55.4	-42.5	-179	-75.3	175.4	160.7	0	0	112.2	K371	K371-E375 WeakPolarHBondContact CE-OE1 3.35Å; K371-E375 HydrophobicContact CG-CG 4.3Å; K371-E375 IonicContact NZ-OE1 3.88Å; K371-E375 WeakPolarHBondContact O-CB 3.28Å; K371-E375 VanDerWaalsContact O-CG 3.31Å; K371-E375 WeakPolarHBondContact O-CG 3.47Å; K371-E375 PolarHBondContact O-N 3.16Å
376	W	90.7	Very high	83.8	Confident	27 Å²	27	75.3 Å²	75.3	10%	0.102	41%	0.409	C	S	.	.	H	α-helix	trans	-73.6	-37.4	-179	-172.7	78.2	0	0	0	112.7	L295 Y355 V364 P365 L367 K372 F373 I374 H378 N379 P380	L295-W376 HydrophobicContact CB-CZ3 4.41Å; L295-W376 HydrophobicContact CD1-CZ3 4.07Å; L295-W376 HydrophobicContact CD2-CE3 4.24Å; L295-W376 HydrophobicContact CD2-CZ3 4.17Å; L295-W376 HydrophobicContact CG-CZ3 4.47Å; Y355-W376 VanDerWaalsContact CB-CH2 3.48Å; Y355-W376 AromaticContact CD1-CH2 3.38Å; Y355-W376 HydrophobicContact CD1-CH2 3.38Å; Y355-W376 HydrophobicContact CD1-CZ2 4.09Å; Y355-W376 HydrophobicContact CD1-CZ3 4.22Å; Y355-W376 AromaticContact CD2-CH2 3.63Å; Y355-W376 HydrophobicContact CD2-CH2 3.63Å; Y355-W376 AromaticContact CD2-CZ3 3.63Å; Y355-W376 HydrophobicContact CD2-CZ3 3.63Å; Y355-W376 AromaticContact CE1-CH2 3.99Å; Y355-W376 HydrophobicContact CE1-CH2 3.99Å; Y355-W376 HydrophobicContact CE2-CH2 4.2Å; Y355-W376 HydrophobicContact CE2-CZ3 4.11Å; Y355-W376 AromaticContact CG-CH2 3.23Å; Y355-W376 HydrophobicContact CG-CH2 3.23Å; Y355-W376 HydrophobicContact CG-CZ2 4.32Å; Y355-W376 AromaticContact CG-CZ3 3.75Å; Y355-W376 HydrophobicContact CG-CZ3 3.75Å; V364-W376 HydrophobicContact CB-CH2 4.04Å; V364-W376 HydrophobicContact CB-CZ2 4.18Å; V364-W376 HydrophobicContact CG2-CE3 4.47Å; V364-W376 HydrophobicContact CG2-CH2 3.64Å; V364-W376 HydrophobicContact CG2-CZ2 3.87Å; V364-W376 HydrophobicContact CG2-CZ3 4Å; P365-W376 HydrophobicContact CG-CG 4.36Å; L367-W376 HydrophobicContact CD1-CB 3.97Å; L367-W376 HydrophobicContact CD1-CD2 3.84Å; L367-W376 HydrophobicContact CD1-CE3 3.83Å; L367-W376 HydrophobicContact CD1-CG 3.9Å; L367-W376 HydrophobicContact CD2-CB 4.12Å; L367-W376 HydrophobicContact CD2-CG 4.32Å; K372-W376 WeakPolarHBondContact O-CB 3.26Å; K372-W376 PolarHBondContact O-N 2.9Å; K372-W376 VanDerWaalsContact O-N 3.12Å; F373-W376 PolarHBondContact O-N 3.03Å; I374-W376 VanDerWaalsContact C-N 3.26Å; I374-W376 PolarHBondContact O-N 3.04Å; W376-H378 VanDerWaalsContact C-N 3.32Å; W376-H378 PolarHBondContact O-N 3.12Å; W376-N379 CarbonylContact O-C 3.59Å; W376-N379 PolarHBondContact O-N 3.03Å; W376-P380 HydrophobicContact CH2-CB 4.26Å; W376-P380 HydrophobicContact CZ2-CB 4.2Å; W376-P380 HydrophobicContact CZ3-CB 4.42Å; W376-P380 VanDerWaalsContact O-CA 3.28Å; W376-P380 WeakPolarHBondContact O-CA 3.15Å
377	M	91.4	Very high	83.1	Confident	4 Å²	4	79.4 Å²	79.4	2%	0.02	41%	0.414	C	S	.	.	H	α-helix	trans	-70.4	-25.5	178.2	-71.8	-61	-65.6	0	0	113.3	S293 L295 L320 Y355 F373 I374	S293-M377 WeakPolarHBondContact OG-CE 3.27Å; L295-M377 HydrophobicContact CB-CE 4.1Å; L295-M377 HydrophobicContact CB-SD 3.47Å; L295-M377 WeakPolarHBondContact CB-SD 3.49Å; L295-M377 HydrophobicContact CD2-CG 4.43Å; L295-M377 HydrophobicContact CD2-SD 4.09Å; L295-M377 HydrophobicContact CG-SD 4.37Å; L320-M377 HydrophobicContact CD1-CB 3.68Å; L320-M377 HydrophobicContact CD1-CG 3.72Å; L320-M377 HydrophobicContact CD2-CB 3.85Å; L320-M377 HydrophobicContact CG-CB 4.45Å; Y355-M377 HydrophobicContact CD2-SD 4.35Å; Y355-M377 HydrophobicContact CE2-CE 4.21Å; Y355-M377 HydrophobicContact CE2-SD 4.2Å; F373-M377 WeakPolarHBondContact O-CB 3.11Å; F373-M377 VanDerWaalsContact O-CG 3.22Å; F373-M377 WeakPolarHBondContact O-CG 3.49Å; F373-M377 PolarHBondContact O-N 3.17Å; I374-M377 PolarHBondContact O-N 3.1Å
378	H	88.3	Confident	82.5	Confident	99 Å²	99	82.3 Å²	82.3	46%	0.458	43%	0.433	S	S	.	.	H	α-helix	trans	-70	-33.3	171.8	-76.1	-63.3	0	0	0	113.1	D323 I374 W376	D323-H378 IonicContact OD2-CE1 3.49Å; D323-H378 PolarHBondContact OD2-CE1 3.3Å; I374-H378 WeakPolarHBondContact CG2-NE2 3.36Å; I374-H378 PolarHBondContact O-CD2 2.77Å; I374-H378 PolarHBondContact O-N 2.93Å; I374-H378 VanDerWaalsContact O-N 3.09Å; W376-H378 VanDerWaalsContact C-N 3.32Å; W376-H378 PolarHBondContact O-N 3.12Å
379	N	85.9	Confident	82.3	Confident	97 Å²	97	79.1 Å²	79.1	52%	0.519	43%	0.429	S	S	.	.	S	Bend	trans	-139	76.6	176.7	-171.4	31.1	0	0	0	111.1	W376 E381	W376-N379 CarbonylContact O-C 3.59Å; W376-N379 PolarHBondContact O-N 3.03Å; N379-E381 VanDerWaalsContact C-N 3.29Å; N379-E381 PolarHBondContact ND2-OE1 2.9Å; N379-E381 PolarHBondContact O-N 3.33Å
380	P	83.2	Confident	82.1	Confident	24 Å²	24	77.3 Å²	77.3	16%	0.156	42%	0.416	C	S	.	.			trans	-76.3	86.9	-178	29.1	-32	0	0	0	109.1	Y355 W376	Y355-P380 HydrophobicContact CE1-CB 3.76Å; Y355-P380 HydrophobicContact CE1-CG 4.37Å; Y355-P380 HydrophobicContact CE2-CB 4.36Å; Y355-P380 WeakPolarHBondContact OH-CB 3.3Å; Y355-P380 WeakPolarHBondContact OH-CG 3.2Å; W376-P380 HydrophobicContact CH2-CB 4.26Å; W376-P380 HydrophobicContact CZ2-CB 4.2Å; W376-P380 HydrophobicContact CZ3-CB 4.42Å; W376-P380 VanDerWaalsContact O-CA 3.28Å; W376-P380 WeakPolarHBondContact O-CA 3.15Å
381	E	78	Confident	81.6	Confident	128 Å²	128	76.5 Å²	76.5	60%	0.598	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-83.3	135.3	167.5	-68.9	179.4	-171.6	0	0	108.8	N379	N379-E381 VanDerWaalsContact C-N 3.29Å; N379-E381 PolarHBondContact ND2-OE1 2.9Å; N379-E381 PolarHBondContact O-N 3.33Å
382	A	65.1	Low	81.2	Confident	65 Å²	65	76.4 Å²	76.4	54%	0.537	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-53.9	132.5	167	0	0	0	0	0	107
383	P	64.9	Low	80.9	Confident	45 Å²	45	75 Å²	75	29%	0.292	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-51.1	142	171.8	22.6	-32	0	0	0	107.5	A363	A363-P383 HydrophobicContact CB-CG 3.49Å; A363-P383 VanDerWaalsContact CB-CG 3.49Å; A363-P383 WeakPolarHBondContact O-CD 3.36Å
384	P	64.8	Low	80.2	Confident	109 Å²	109	84.9 Å²	84.9	71%	0.708	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-48.7	141.5	175.1	21.7	-32.1	0	0	0	107.8
385	P	64.4	Low	80.1	Confident	113 Å²	113	85.4 Å²	85.4	73%	0.734	46%	0.461	S	S	*	.			trans	-44.5	132.4	177	-23.7	30.5	0	0	0	107.7	E387	P385-E387 PolarHBondContact O-N 3.45Å
386	P	63.6	Low	80.3	Confident	121 Å²	121	82.2 Å²	82.2	79%	0.786	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-48.1	127.7	178.3	18.8	-29.8	0	0	0	107.3
387	E	71	Confident	80.6	Confident	175 Å²	175	81.2 Å²	81.2	82%	0.818	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-49.8	131.2	179.9	-70.3	-177.8	173.7	0	0	107.6	P385 T389	P385-E387 PolarHBondContact O-N 3.45Å; E387-T389 PolarHBondContact O-N 3.44Å; E387-T389 VanDerWaalsContact O-N 3.16Å
388	P	78.2	Confident	80.8	Confident	71 Å²	71	84 Å²	84	46%	0.461	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-53	131.1	-178	21.2	-31.7	0	0	0	107.8	E392 Q393	P388-E392 HydrophobicContact CB-CB 3.93Å; P388-Q393 HydrophobicContact CB-CG 4.26Å; P388-Q393 HydrophobicContact CG-CG 4.1Å; P388-Q393 PolarHBondContact O-NE2 3.12Å
389	T	85.4	Confident	81.2	Confident	75 Å²	75	81 Å²	81	46%	0.46	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-55.3	155.6	176.7	61.8	0	0	0	0	108.8	E387 E391 E392 Q393	E387-T389 PolarHBondContact O-N 3.44Å; E387-T389 VanDerWaalsContact O-N 3.16Å; T389-E391 PolarHBondContact O-N 2.63Å; T389-E392 WeakPolarHBondContact CB-OE2 3.28Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.48Å; T389-E392 PolarHBondContact N-OE2 3.07Å; T389-E392 WeakPolarHBondContact O-CA 3.44Å; T389-E392 PolarHBondContact O-N 2.83Å; T389-E392 VanDerWaalsContact OG1-CG 3.3Å; T389-E392 WeakPolarHBondContact OG1-CG 3.19Å; T389-E392 PolarHBondContact OG1-N 2.93Å; T389-E392 PolarHBondContact OG1-OE2 3.17Å; T389-Q393 WeakPolarHBondContact O-CG 3.11Å; T389-Q393 PolarHBondContact O-N 2.81Å
390	W	88.9	Confident	81.6	Confident	17 Å²	17	76.8 Å²	76.8	6%	0.064	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.2	-179.7	-178.5	40.2	0	0	0	113.3	V397 H399 M418 Y420 I431 F434 T435 A451	W390-V397 HydrophobicContact CH2-CG1 4.2Å; W390-V397 HydrophobicContact CZ2-CB 4.32Å; W390-V397 HydrophobicContact CZ2-CG1 3.99Å; W390-V397 HydrophobicContact CZ2-CG2 3.92Å; W390-H399 AromaticContact CD2-CE1 3.77Å; W390-H399 AromaticContact CE3-CE1 3.76Å; W390-H399 PolarHBondContact O-NE2 2.94Å; W390-M418 HydrophobicContact CH2-CE 4.29Å; W390-M418 HydrophobicContact CH2-SD 3.88Å; W390-M418 HydrophobicContact CZ3-CE 4.1Å; W390-M418 HydrophobicContact CZ3-SD 4.22Å; W390-Y420 HydrophobicContact CE3-CD1 4.35Å; W390-Y420 HydrophobicContact CE3-CD2 4.46Å; W390-Y420 AromaticContact CE3-CE1 3.84Å; W390-Y420 HydrophobicContact CE3-CE1 3.84Å; W390-Y420 AromaticContact CE3-CE2 3.98Å; W390-Y420 HydrophobicContact CE3-CE2 3.98Å; W390-Y420 AromaticContact CE3-CZ 3.65Å; W390-Y420 AromaticContact CZ3-CD1 3.86Å; W390-Y420 HydrophobicContact CZ3-CD1 3.86Å; W390-Y420 AromaticContact CZ3-CE1 3.71Å; W390-Y420 HydrophobicContact CZ3-CE1 3.71Å; W390-Y420 HydrophobicContact CZ3-CE2 4.39Å; W390-Y420 HydrophobicContact CZ3-CG 4.27Å; W390-Y420 AromaticContact CZ3-CZ 4Å; W390-I431 HydrophobicContact CB-CD1 4.44Å; W390-I431 HydrophobicContact CD2-CB 4.42Å; W390-I431 HydrophobicContact CD2-CD1 4Å; W390-I431 HydrophobicContact CD2-CG1 3.83Å; W390-I431 HydrophobicContact CD2-CG2 3.8Å; W390-I431 HydrophobicContact CE3-CD1 3.77Å; W390-I431 HydrophobicContact CE3-CG1 3.7Å; W390-I431 HydrophobicContact CG-CD1 4.3Å; W390-I431 HydrophobicContact CG-CG1 4.45Å; W390-I431 HydrophobicContact CG-CG2 3.79Å; W390-I431 HydrophobicContact CH2-CG1 4.08Å; W390-I431 HydrophobicContact CZ2-CG1 4.2Å; W390-I431 HydrophobicContact CZ2-CG2 4.24Å; W390-I431 HydrophobicContact CZ3-CD1 4.31Å; W390-I431 HydrophobicContact CZ3-CG1 3.84Å; W390-F434 AromaticContact CH2-CD1 3.9Å; W390-F434 HydrophobicContact CH2-CD1 3.9Å; W390-F434 HydrophobicContact CZ2-CD1 4.08Å; W390-T435 PolarHBondContact NE1-OG1 3.04Å; W390-A451 HydrophobicContact CE3-CB 4.38Å; W390-A451 HydrophobicContact CH2-CB 3.62Å; W390-A451 HydrophobicContact CZ3-CB 3.51Å
391	E	86.1	Confident	82	Confident	56 Å²	56	78.1 Å²	78.1	26%	0.262	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-31.2	174.7	179.9	170.6	167.2	0	0	114.5	T389 Q393 H399 K456	T389-E391 PolarHBondContact O-N 2.63Å; E391-Q393 VanDerWaalsContact C-N 3.31Å; E391-H399 VanDerWaalsContact CA-CE1 3.41Å; E391-H399 WeakPolarHBondContact CA-CE1 3.29Å; E391-H399 HydrophobicContact CB-CB 4.42Å; E391-H399 WeakPolarHBondContact CB-ND1 3.32Å; E391-H399 HydrophobicContact CG-CB 3.69Å; E391-K456 IonicContact OE1-NZ 2.9Å; E391-K456 PolarHBondContact OE1-NZ 3.49Å; E391-K456 IonicContact OE2-NZ 2.55Å; E391-K456 PolarHBondContact OE2-NZ 3.12Å
392	E	84.1	Confident	82.4	Confident	136 Å²	136	73.9 Å²	73.9	64%	0.636	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-15.8	176.1	-68.6	161.1	152.8	0	0	111.9	P388 T389	P388-E392 HydrophobicContact CB-CB 3.93Å; T389-E392 WeakPolarHBondContact CB-OE2 3.28Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.48Å; T389-E392 PolarHBondContact N-OE2 3.07Å; T389-E392 WeakPolarHBondContact O-CA 3.44Å; T389-E392 PolarHBondContact O-N 2.83Å; T389-E392 VanDerWaalsContact OG1-CG 3.3Å; T389-E392 WeakPolarHBondContact OG1-CG 3.19Å; T389-E392 PolarHBondContact OG1-N 2.93Å; T389-E392 PolarHBondContact OG1-OE2 3.17Å
393	Q	86.5	Confident	83.6	Confident	82 Å²	82	76.5 Å²	76.5	38%	0.383	43%	0.426	S	S	.	.	S	Bend	trans	-71	132.6	172.9	-66.6	171.8	12.1	0	0	110	P388 T389 E391 T395	P388-Q393 HydrophobicContact CB-CG 4.26Å; P388-Q393 HydrophobicContact CG-CG 4.1Å; P388-Q393 PolarHBondContact O-NE2 3.12Å; T389-Q393 WeakPolarHBondContact O-CG 3.11Å; T389-Q393 PolarHBondContact O-N 2.81Å; E391-Q393 VanDerWaalsContact C-N 3.31Å; Q393-T395 VanDerWaalsContact C-N 3.3Å; Q393-T395 HydrophobicContact CB-CG2 3.88Å; Q393-T395 PolarHBondContact O-N 3.35Å
394	Q	80.7	Confident	84.9	Confident	206 Å²	206	76.8 Å²	76.8	96%	0.963	43%	0.425	S	S	*	.			trans	-74.1	84.5	176.9	-167	173.6	15.6	0	0	110.2
395	T	91.2	Very high	86.3	Confident	39 Å²	39	71.7 Å²	71.7	24%	0.239	39%	0.392	C	S	.	.			trans	-114.2	168.4	179.3	75.8	0	0	0	0	111.8	Q393 V397 T435	Q393-T395 VanDerWaalsContact C-N 3.3Å; Q393-T395 HydrophobicContact CB-CG2 3.88Å; Q393-T395 PolarHBondContact O-N 3.35Å; T395-V397 PolarHBondContact O-N 3.44Å; T395-V397 WeakPolarHBondContact OG1-CB 3.5Å; T395-V397 PolarHBondContact OG1-N 3.31Å; T395-T435 HydrophobicContact CG2-CG2 3.78Å
396	S	94.6	Very high	87.7	Confident	37 Å²	37	74.1 Å²	74.1	26%	0.259	39%	0.386	S	S	.	.	S	Bend	trans	-78.9	3.3	172.3	-52.6	0	0	0	0	113.7	D439 K442	S396-D439 WeakPolarHBondContact CB-OD1 3.09Å; S396-D439 PolarHBondContact N-OD1 3.45Å; S396-D439 PolarHBondContact OG-OD1 3.5Å; S396-K442 WeakPolarHBondContact OG-CB 3.01Å
397	V	97	Very high	89.1	Confident	7 Å²	7	72.5 Å²	72.5	4%	0.042	37%	0.371	C	S	.	.	S	Bend	trans	-81.3	128.8	177.2	-178.3	0	0	0	0	109.3	W390 T395 H399 F434 A438 A451	W390-V397 HydrophobicContact CH2-CG1 4.2Å; W390-V397 HydrophobicContact CZ2-CB 4.32Å; W390-V397 HydrophobicContact CZ2-CG1 3.99Å; W390-V397 HydrophobicContact CZ2-CG2 3.92Å; T395-V397 PolarHBondContact O-N 3.44Å; T395-V397 WeakPolarHBondContact OG1-CB 3.5Å; T395-V397 PolarHBondContact OG1-N 3.31Å; V397-H399 PolarHBondContact O-CD2 3.19Å; V397-H399 PolarHBondContact O-N 2.76Å; V397-F434 HydrophobicContact CG1-CD1 4.44Å; V397-F434 HydrophobicContact CG1-CE1 4.25Å; V397-F434 HydrophobicContact CG2-CD1 4.34Å; V397-A438 HydrophobicContact CB-CB 4.44Å; V397-A438 HydrophobicContact CG2-CB 3.5Å; V397-A451 HydrophobicContact CG1-CB 3.71Å
398	L	95.8	Very high	90.2	Very high	63 Å²	63	65.8 Å²	65.8	33%	0.33	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	109.9	176.2	-57.1	-178.8	0	0	0	110	L400 T408 A448 C449 A450 A451	L398-L400 HydrophobicContact CB-CD2 4.15Å; L398-L400 PolarHBondContact O-N 3.45Å; L398-T408 HydrophobicContact CD1-CG2 3.94Å; L398-A448 HydrophobicContact CD1-CB 3.79Å; L398-C449 PolarHBondContact N-O 3.26Å; L398-A450 HydrophobicContact CB-CB 4.1Å; L398-A450 CarbonylContact O-C 3.59Å; L398-A450 WeakPolarHBondContact O-CA 3.3Å; L398-A450 WeakPolarHBondContact O-CB 3.43Å; L398-A451 PolarHBondContact O-N 3.21Å
399	H	95.5	Very high	91	Very high	36 Å²	36	62.5 Å²	62.5	17%	0.167	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.6	173.3	-70.4	-95	0	0	0	110	W390 E391 V397 A451	W390-H399 AromaticContact CD2-CE1 3.77Å; W390-H399 AromaticContact CE3-CE1 3.76Å; W390-H399 PolarHBondContact O-NE2 2.94Å; E391-H399 VanDerWaalsContact CA-CE1 3.41Å; E391-H399 WeakPolarHBondContact CA-CE1 3.29Å; E391-H399 HydrophobicContact CB-CB 4.42Å; E391-H399 WeakPolarHBondContact CB-ND1 3.32Å; E391-H399 HydrophobicContact CG-CB 3.69Å; V397-H399 PolarHBondContact O-CD2 3.19Å; V397-H399 PolarHBondContact O-N 2.76Å; H399-A451 WeakPolarHBondContact CA-O 3.25Å
400	L	94.9	Very high	91.5	Very high	7 Å²	7	64.6 Å²	64.6	4%	0.037	32%	0.323	C	S	.	.			trans	-108	148	-174	-54.5	-177.6	0	0	0	111.2	L398 N404 F405 T408 L409 A450 A451 V452	L398-L400 HydrophobicContact CB-CD2 4.15Å; L398-L400 PolarHBondContact O-N 3.45Å; L400-N404 VanDerWaalsContact CA-OD1 3.29Å; L400-N404 WeakPolarHBondContact CA-OD1 3.41Å; L400-N404 WeakPolarHBondContact CB-OD1 3.41Å; L400-F405 HydrophobicContact CB-CD2 3.94Å; L400-F405 HydrophobicContact CD1-CD2 3.69Å; L400-F405 HydrophobicContact CD1-CE2 4.14Å; L400-F405 HydrophobicContact CG-CD2 4.48Å; L400-T408 HydrophobicContact CD2-CG2 3.75Å; L400-L409 HydrophobicContact CD1-CD2 4.15Å; L400-A450 HydrophobicContact CD1-CB 3.64Å; L400-A450 HydrophobicContact CG-CB 3.99Å; L400-A451 PolarHBondContact N-O 3.02Å; L400-V452 HydrophobicContact CB-CG2 4.05Å
401	M	91.5	Very high	91.7	Very high	52 Å²	52	71.7 Å²	71.7	26%	0.256	36%	0.355	S	S	.	.			trans	-123	164.9	174.1	-66	-174.1	-65.9	0	0	110.1	D403 N404 F405 N459	M401-D403 WeakPolarHBondContact CB-OD1 3.25Å; M401-D403 PolarHBondContact O-N 2.86Å; M401-N404 PolarHBondContact N-OD1 2.91Å; M401-N404 PolarHBondContact O-N 2.82Å; M401-N404 VanDerWaalsContact O-N 3.12Å; M401-N404 PolarHBondContact O-OD1 2.82Å; M401-N404 VanDerWaalsContact O-OD1 3.1Å; M401-F405 VanDerWaalsContact O-CB 3.3Å; M401-F405 WeakPolarHBondContact O-CB 3.43Å; M401-F405 PolarHBondContact O-N 2.9Å; M401-N459 VanDerWaalsContact CA-OD1 3.22Å; M401-N459 WeakPolarHBondContact CA-OD1 3.47Å
402	G	86.5	Confident	92.1	Very high	39 Å²	39	71.2 Å²	71.2	40%	0.402	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-36.2	-178.7	0	0	0	0	0	115.2	N459	G402-N459 PolarHBondContact N-OD1 2.87Å; G402-N459 VanDerWaalsContact N-OD1 3.14Å
403	D	89.3	Confident	92.7	Very high	120 Å²	120	66.1 Å²	66.1	64%	0.642	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-34.7	-178.1	57.4	-1.5	0	0	0	114.3	M401	M401-D403 WeakPolarHBondContact CB-OD1 3.25Å; M401-D403 PolarHBondContact O-N 2.86Å
404	N	92.6	Very high	93.2	Very high	51 Å²	51	62.5 Å²	62.5	27%	0.273	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-8.4	-177.2	76	14.6	0	0	0	113.9	L400 M401 T408	L400-N404 VanDerWaalsContact CA-OD1 3.29Å; L400-N404 WeakPolarHBondContact CA-OD1 3.41Å; L400-N404 WeakPolarHBondContact CB-OD1 3.41Å; M401-N404 PolarHBondContact N-OD1 2.91Å; M401-N404 PolarHBondContact O-N 2.82Å; M401-N404 VanDerWaalsContact O-N 3.12Å; M401-N404 PolarHBondContact O-OD1 2.82Å; M401-N404 VanDerWaalsContact O-OD1 3.1Å; N404-T408 VanDerWaalsContact O-CB 3.31Å; N404-T408 WeakPolarHBondContact O-CB 3.44Å; N404-T408 PolarHBondContact O-N 3.42Å; N404-T408 PolarHBondContact O-OG1 2.83Å
405	F	95.1	Very high	94	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-62.6	-172.9	-175.4	-104.7	0	0	0	111.9	L400 M401 D407 T408 L409 V417 F419 V452 L462 E466 Y477	L400-F405 HydrophobicContact CB-CD2 3.94Å; L400-F405 HydrophobicContact CD1-CD2 3.69Å; L400-F405 HydrophobicContact CD1-CE2 4.14Å; L400-F405 HydrophobicContact CG-CD2 4.48Å; M401-F405 VanDerWaalsContact O-CB 3.3Å; M401-F405 WeakPolarHBondContact O-CB 3.43Å; M401-F405 PolarHBondContact O-N 2.9Å; F405-D407 VanDerWaalsContact C-N 3.35Å; F405-D407 PolarHBondContact O-N 2.92Å; F405-T408 PolarHBondContact O-N 2.63Å; F405-L409 HydrophobicContact CD1-CD1 3.89Å; F405-L409 HydrophobicContact CD2-CD1 4.35Å; F405-L409 HydrophobicContact CE1-CD1 3.42Å; F405-L409 VanDerWaalsContact CE1-CD1 3.42Å; F405-L409 HydrophobicContact CE2-CD1 3.93Å; F405-L409 HydrophobicContact CG-CD1 4.34Å; F405-L409 HydrophobicContact CZ-CD1 3.45Å; F405-L409 VanDerWaalsContact CZ-CD1 3.45Å; F405-L409 HydrophobicContact CZ-CG 4.49Å; F405-L409 VanDerWaalsContact O-CG 3.29Å; F405-L409 WeakPolarHBondContact O-CG 3.28Å; F405-L409 PolarHBondContact O-N 2.87Å; F405-V417 HydrophobicContact CE2-CG1 3.91Å; F405-V417 HydrophobicContact CE2-CG2 4.34Å; F405-V417 HydrophobicContact CZ-CG1 4.48Å; F405-F419 HydrophobicContact CE2-CE1 4.34Å; F405-F419 HydrophobicContact CE2-CZ 4.07Å; F405-F419 HydrophobicContact CZ-CE1 4.37Å; F405-F419 AromaticContact CZ-CZ 3.81Å; F405-F419 HydrophobicContact CZ-CZ 3.81Å; F405-V452 HydrophobicContact CD2-CG2 3.91Å; F405-V452 HydrophobicContact CE2-CG2 3.81Å; F405-L462 HydrophobicContact CB-CD1 4.48Å; F405-L462 HydrophobicContact CB-CD2 3.98Å; F405-L462 HydrophobicContact CD1-CD1 3.65Å; F405-L462 HydrophobicContact CD1-CD2 4.31Å; F405-L462 HydrophobicContact CD2-CD2 3.8Å; F405-L462 HydrophobicContact CE1-CD1 3.9Å; F405-L462 HydrophobicContact CE2-CD2 4.33Å; F405-L462 HydrophobicContact CG-CD1 3.99Å; F405-L462 HydrophobicContact CG-CD2 3.79Å; F405-L462 HydrophobicContact CZ-CD1 4.45Å; F405-E466 HydrophobicContact CE1-CG 4.39Å; F405-E466 HydrophobicContact CZ-CG 4.46Å; F405-Y477 HydrophobicContact CE1-CE1 4.41Å; F405-Y477 HydrophobicContact CZ-CE1 4.37Å; F405-Y477 HydrophobicContact CZ-CE2 4.2Å; F405-Y477 AromaticContact CZ-CZ 3.82Å
406	R	93.1	Very high	94.3	Very high	164 Å²	164	51.2 Å²	51.2	62%	0.619	26%	0.255	S	S	*	.	H	α-helix	trans	-62	-41	-174.3	-71.9	-173.5	174.6	173.1	2.4	112.9	L409 K410	R406-L409 PolarHBondContact O-N 2.98Å; R406-K410 VanDerWaalsContact O-CG 3.3Å; R406-K410 WeakPolarHBondContact O-CG 3.39Å; R406-K410 PolarHBondContact O-N 2.9Å; R406-K410 VanDerWaalsContact O-N 3.12Å
407	D	93.9	Very high	94.5	Very high	87 Å²	87	49.5 Å²	49.5	47%	0.465	24%	0.243	S	C	.	.	H	α-helix	trans	-75.1	-29.2	-175.8	-71	-17.7	0	0	0	112.5	F405 K410 K411	F405-D407 VanDerWaalsContact C-N 3.35Å; F405-D407 PolarHBondContact O-N 2.92Å; D407-K410 IonicContact OD1-NZ 3.83Å; D407-K410 PolarHBondContact OD1-NZ 2.73Å; D407-K411 WeakPolarHBondContact O-CG 3.39Å
408	T	92.8	Very high	94.5	Very high	34 Å²	34	49.1 Å²	49.1	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-69.8	-45.1	171.3	-55.7	0	0	0	0	111	L398 L400 N404 F405 K410 K411	L398-T408 HydrophobicContact CD1-CG2 3.94Å; L400-T408 HydrophobicContact CD2-CG2 3.75Å; N404-T408 VanDerWaalsContact O-CB 3.31Å; N404-T408 WeakPolarHBondContact O-CB 3.44Å; N404-T408 PolarHBondContact O-N 3.42Å; N404-T408 PolarHBondContact O-OG1 2.83Å; F405-T408 PolarHBondContact O-N 2.63Å; T408-K410 VanDerWaalsContact C-N 3.32Å; T408-K410 PolarHBondContact O-N 3.24Å; T408-K411 PolarHBondContact O-N 3.02Å; T408-K411 VanDerWaalsContact O-N 3.17Å
409	L	95.6	Very high	94.6	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-31.2	-179.3	-62	-177.7	0	0	0	113.4	L400 F405 R406 K411 K412 T415 V417 Y477 G480	L400-L409 HydrophobicContact CD1-CD2 4.15Å; F405-L409 HydrophobicContact CD1-CD1 3.89Å; F405-L409 HydrophobicContact CD2-CD1 4.35Å; F405-L409 HydrophobicContact CE1-CD1 3.42Å; F405-L409 VanDerWaalsContact CE1-CD1 3.42Å; F405-L409 HydrophobicContact CE2-CD1 3.93Å; F405-L409 HydrophobicContact CG-CD1 4.34Å; F405-L409 HydrophobicContact CZ-CD1 3.45Å; F405-L409 VanDerWaalsContact CZ-CD1 3.45Å; F405-L409 HydrophobicContact CZ-CG 4.49Å; F405-L409 VanDerWaalsContact O-CG 3.29Å; F405-L409 WeakPolarHBondContact O-CG 3.28Å; F405-L409 PolarHBondContact O-N 2.87Å; R406-L409 PolarHBondContact O-N 2.98Å; L409-K411 VanDerWaalsContact C-N 3.3Å; L409-K411 PolarHBondContact O-N 3.08Å; L409-K412 PolarHBondContact O-N 3.05Å; L409-T415 HydrophobicContact CD2-CG2 3.42Å; L409-T415 VanDerWaalsContact CD2-CG2 3.42Å; L409-V417 HydrophobicContact CD2-CG2 3.81Å; L409-Y477 HydrophobicContact CD1-CD1 3.69Å; L409-Y477 HydrophobicContact CD1-CD2 4.06Å; L409-Y477 HydrophobicContact CD1-CE1 3.94Å; L409-Y477 HydrophobicContact CD1-CE2 4.26Å; L409-Y477 HydrophobicContact CD1-CG 3.77Å; L409-G480 PolarHBondContact O-N 3.27Å; L409-G480 VanDerWaalsContact O-N 3.07Å
410	K	95	Very high	94.7	Very high	119 Å²	119	44.8 Å²	44.8	52%	0.517	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-30	175.2	-73.1	168.5	-166	160	0	113.2	R406 D407 T408 K412	R406-K410 VanDerWaalsContact O-CG 3.3Å; R406-K410 WeakPolarHBondContact O-CG 3.39Å; R406-K410 PolarHBondContact O-N 2.9Å; R406-K410 VanDerWaalsContact O-N 3.12Å; D407-K410 IonicContact OD1-NZ 3.83Å; D407-K410 PolarHBondContact OD1-NZ 2.73Å; T408-K410 VanDerWaalsContact C-N 3.32Å; T408-K410 PolarHBondContact O-N 3.24Å; K410-K412 VanDerWaalsContact C-N 3.28Å; K410-K412 PolarHBondContact O-N 2.98Å
411	K	95.2	Very high	94.6	Very high	166 Å²	166	44.4 Å²	44.4	72%	0.722	22%	0.217	S	C	*	.	H	α-helix	trans	-77.2	-16.4	-178.1	-68.1	170.4	-173.8	175.6	0	112.8	D407 T408 L409	D407-K411 WeakPolarHBondContact O-CG 3.39Å; T408-K411 PolarHBondContact O-N 3.02Å; T408-K411 VanDerWaalsContact O-N 3.17Å; L409-K411 VanDerWaalsContact C-N 3.3Å; L409-K411 PolarHBondContact O-N 3.08Å
412	K	94.4	Very high	94.5	Very high	45 Å²	45	44.8 Å²	44.8	20%	0.196	22%	0.223	C	C	.	.			trans	-110.3	134.4	-177.2	-65.6	-65.6	-169.6	159.9	0	109.6	L409 K410 T415 R445 I447 A448 Y479	L409-K412 PolarHBondContact O-N 3.05Å; K410-K412 VanDerWaalsContact C-N 3.28Å; K410-K412 PolarHBondContact O-N 2.98Å; K412-T415 WeakPolarHBondContact CB-OG1 3.43Å; K412-R445 VanDerWaalsContact CD-O 3.25Å; K412-R445 WeakPolarHBondContact CD-O 3.35Å; K412-R445 PolarHBondContact NZ-O 3.06Å; K412-I447 PolarHBondContact NZ-O 3.37Å; K412-A448 HydrophobicContact CB-CB 4.46Å; K412-A448 HydrophobicContact CD-CB 4.02Å; K412-A448 HydrophobicContact CG-CB 3.84Å; K412-Y479 WeakPolarHBondContact O-CA 3.41Å; K412-Y479 PolarHBondContact O-N 2.94Å
413	K	95.4	Very high	94.4	Very high	29 Å²	29	50.9 Å²	50.9	13%	0.126	23%	0.234	C	C	.	.	S	Bend	trans	-70.3	-40.8	177.9	-178.1	170.8	-173.4	-174	0	110.7	K446 H478 Y479 D506	K413-K446 WeakPolarHBondContact CA-O 3.4Å; K413-K446 HydrophobicContact CB-CB 3.97Å; K413-K446 HydrophobicContact CB-CG 4.38Å; K413-K446 WeakPolarHBondContact CB-O 3.49Å; K413-K446 HydrophobicContact CD-CD 4.31Å; K413-K446 PolarHBondContact N-O 3.4Å; K413-H478 WeakPolarHBondContact O-CA 3.5Å; K413-H478 PolarHBondContact O-ND1 3.48Å; K413-Y479 HydrophobicContact CB-CE1 3.88Å; K413-Y479 HydrophobicContact CB-CE2 4.14Å; K413-Y479 HydrophobicContact CD-CE2 4.1Å; K413-Y479 WeakPolarHBondContact CD-OH 3.42Å; K413-Y479 HydrophobicContact CG-CD2 4.27Å; K413-Y479 HydrophobicContact CG-CE1 4.22Å; K413-Y479 HydrophobicContact CG-CE2 3.55Å; K413-Y479 PolarHBondContact O-N 3.26Å; K413-D506 VanDerWaalsContact CD-OD2 3.28Å; K413-D506 WeakPolarHBondContact CD-OD2 3.48Å; K413-D506 VanDerWaalsContact CE-CG 3.44Å; K413-D506 WeakPolarHBondContact CE-OD1 3.45Å; K413-D506 WeakPolarHBondContact CE-OD2 3.42Å; K413-D506 IonicContact NZ-OD1 2.65Å; K413-D506 PolarHBondContact NZ-OD1 3.26Å; K413-D506 IonicContact NZ-OD2 2.96Å; K413-D506 PolarHBondContact NZ-OD2 3.07Å
414	H	96.6	Very high	94.4	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.032	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.7	175.8	-55.2	-68.8	0	0	0	109.2	K446 I447 A448 Y476 H478 L502 D506	H414-K446 PolarHBondContact N-O 3.12Å; H414-I447 HydrophobicContact CB-CG1 4.21Å; H414-I447 CarbonylContact O-C 3.55Å; H414-I447 VanDerWaalsContact O-CA 3.32Å; H414-I447 WeakPolarHBondContact O-CA 3.5Å; H414-A448 PolarHBondContact O-N 3.49Å; H414-Y476 HydrophobicContact CB-CE2 3.89Å; H414-Y476 PolarHBondContact CE1-OH 2.61Å; H414-Y476 AromaticContact ND1-CE2 3.64Å; H414-Y476 AromaticContact ND1-CZ 3.56Å; H414-Y476 PolarHBondContact ND1-OH 3.15Å; H414-H478 AromaticContact CE1-CE1 3.8Å; H414-H478 AromaticContact CE1-ND1 3.6Å; H414-H478 AromaticContact ND1-ND1 3.59Å; H414-L502 HydrophobicContact CB-CD1 4.25Å; H414-D506 IonicContact CD2-OD2 2.61Å; H414-D506 IonicContact CE1-OD1 2.6Å; H414-D506 IonicContact CE1-OD2 2.84Å; H414-D506 IonicContact NE2-OD1 3.97Å; H414-D506 IonicContact NE2-OD2 2.87Å; H414-D506 PolarHBondContact NE2-OD2 3.28Å
415	T	97.8	Very high	94.3	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.2	170	-52.3	0	0	0	0	110.4	L409 K412 V417 A448 A450 Y476 Y477	L409-T415 HydrophobicContact CD2-CG2 3.42Å; L409-T415 VanDerWaalsContact CD2-CG2 3.42Å; K412-T415 WeakPolarHBondContact CB-OG1 3.43Å; T415-V417 HydrophobicContact CG2-CG2 3.86Å; T415-A448 VanDerWaalsContact CA-O 3.29Å; T415-A448 WeakPolarHBondContact CA-O 3.49Å; T415-A448 HydrophobicContact CG2-CB 4.07Å; T415-A450 HydrophobicContact CG2-CB 3.87Å; T415-Y476 WeakPolarHBondContact O-CA 3.5Å; T415-Y477 PolarHBondContact N-O 2.85Å; T415-Y477 PolarHBondContact O-N 2.78Å
416	L	97.9	Very high	94.2	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.5	168.1	-174.6	61.6	0	0	0	107.6	F434 A448 C449 A450 F474 Y486 F495 F498	L416-F434 HydrophobicContact CD2-CE2 3.77Å; L416-F434 HydrophobicContact CG-CE2 3.9Å; L416-F434 HydrophobicContact CG-CZ 4.29Å; L416-A448 PolarHBondContact N-O 3.25Å; L416-C449 CarbonylContact O-C 3.55Å; L416-C449 WeakPolarHBondContact O-CA 3.39Å; L416-A450 PolarHBondContact O-N 3.05Å; L416-F474 HydrophobicContact CD1-CB 4.33Å; L416-Y486 HydrophobicContact CD1-CG 4.22Å; L416-F495 HydrophobicContact CD2-CD1 3.85Å; L416-F498 HydrophobicContact CD1-CE1 4.19Å; L416-F498 HydrophobicContact CD2-CD1 4.43Å
417	V	98.3	Very high	94.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.6	-176.2	-175.3	0	0	0	0	109.5	F405 L409 T415 F419 A450 V452 F474 H475 Y477	F405-V417 HydrophobicContact CE2-CG1 3.91Å; F405-V417 HydrophobicContact CE2-CG2 4.34Å; F405-V417 HydrophobicContact CZ-CG1 4.48Å; L409-V417 HydrophobicContact CD2-CG2 3.81Å; T415-V417 HydrophobicContact CG2-CG2 3.86Å; V417-F419 HydrophobicContact CB-CE2 4.14Å; V417-F419 HydrophobicContact CG1-CD2 4.16Å; V417-F419 HydrophobicContact CG1-CE1 4.33Å; V417-F419 HydrophobicContact CG1-CE2 3.7Å; V417-F419 HydrophobicContact CG1-CZ 3.8Å; V417-A450 CarbonylContact C-O 3.43Å; V417-A450 VanDerWaalsContact CA-O 3.28Å; V417-A450 WeakPolarHBondContact CA-O 3.38Å; V417-A450 HydrophobicContact CG2-CB 4.22Å; V417-V452 HydrophobicContact CG1-CG2 4.04Å; V417-F474 CarbonylContact O-C 3.54Å; V417-F474 VanDerWaalsContact O-CA 3.29Å; V417-F474 WeakPolarHBondContact O-CA 3.48Å; V417-H475 PolarHBondContact N-O 3.22Å; V417-H475 PolarHBondContact O-N 3.05Å; V417-Y477 HydrophobicContact CB-CD2 4.25Å; V417-Y477 HydrophobicContact CB-CE2 3.85Å; V417-Y477 HydrophobicContact CG2-CD2 3.46Å; V417-Y477 VanDerWaalsContact CG2-CD2 3.46Å; V417-Y477 HydrophobicContact CG2-CE2 3.44Å; V417-Y477 VanDerWaalsContact CG2-CE2 3.44Å
418	M	98.2	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.4	171.6	176.7	169.4	157.1	0	0	110.5	W390 Y420 C427 A430 I431 F434 A450 A451 V452 P472 F474	W390-M418 HydrophobicContact CH2-CE 4.29Å; W390-M418 HydrophobicContact CH2-SD 3.88Å; W390-M418 HydrophobicContact CZ3-CE 4.1Å; W390-M418 HydrophobicContact CZ3-SD 4.22Å; M418-Y420 HydrophobicContact CE-CG 4.11Å; M418-C427 HydrophobicContact CE-CB 4Å; M418-A430 HydrophobicContact CE-CB 4.44Å; M418-I431 HydrophobicContact CE-CG1 3.89Å; M418-F434 HydrophobicContact CB-CD1 4.17Å; M418-F434 HydrophobicContact CB-CE1 3.75Å; M418-F434 HydrophobicContact CB-CE2 4.32Å; M418-F434 HydrophobicContact CB-CZ 3.83Å; M418-F434 HydrophobicContact SD-CB 4.35Å; M418-F434 HydrophobicContact SD-CD1 4.2Å; M418-F434 HydrophobicContact SD-CG 4.18Å; M418-A450 PolarHBondContact N-O 2.93Å; M418-A451 CarbonylContact O-C 3.5Å; M418-A451 VanDerWaalsContact O-CA 3.27Å; M418-A451 WeakPolarHBondContact O-CA 3.47Å; M418-V452 PolarHBondContact O-N 3.34Å; M418-P472 HydrophobicContact CE-CB 4Å; M418-P472 HydrophobicContact CG-CB 4.27Å; M418-F474 HydrophobicContact CB-CD1 3.83Å; M418-F474 HydrophobicContact CB-CE1 3.6Å; M418-F474 HydrophobicContact CB-CZ 4.48Å; M418-F474 HydrophobicContact CG-CD1 4.16Å; M418-F474 HydrophobicContact CG-CE1 3.56Å; M418-F474 HydrophobicContact CG-CZ 3.97Å; M418-F474 HydrophobicContact SD-CE1 3.6Å; M418-F474 VanDerWaalsContact SD-CE1 3.6Å; M418-F474 HydrophobicContact SD-CZ 3.76Å
419	F	98.1	Very high	94.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.7	169.5	-63.7	-87.6	0	0	0	109.2	F405 V417 V452 E466 V468 P472 T473 H475	F405-F419 HydrophobicContact CE2-CE1 4.34Å; F405-F419 HydrophobicContact CE2-CZ 4.07Å; F405-F419 HydrophobicContact CZ-CE1 4.37Å; F405-F419 AromaticContact CZ-CZ 3.81Å; F405-F419 HydrophobicContact CZ-CZ 3.81Å; V417-F419 HydrophobicContact CB-CE2 4.14Å; V417-F419 HydrophobicContact CG1-CD2 4.16Å; V417-F419 HydrophobicContact CG1-CE1 4.33Å; V417-F419 HydrophobicContact CG1-CE2 3.7Å; V417-F419 HydrophobicContact CG1-CZ 3.8Å; F419-V452 HydrophobicContact CD1-CB 3.69Å; F419-V452 HydrophobicContact CD1-CG1 3.98Å; F419-V452 HydrophobicContact CD1-CG2 4.19Å; F419-V452 HydrophobicContact CE1-CB 3.93Å; F419-V452 HydrophobicContact CE1-CG1 4.15Å; F419-V452 HydrophobicContact CE1-CG2 3.93Å; F419-E466 HydrophobicContact CE1-CB 4.06Å; F419-E466 HydrophobicContact CE1-CG 4.05Å; F419-E466 HydrophobicContact CE2-CB 4.39Å; F419-E466 HydrophobicContact CZ-CB 3.79Å; F419-E466 HydrophobicContact CZ-CG 3.72Å; F419-V468 HydrophobicContact CB-CB 4.45Å; F419-V468 HydrophobicContact CB-CG1 3.9Å; F419-V468 HydrophobicContact CB-CG2 3.67Å; F419-V468 HydrophobicContact CD1-CG2 3.72Å; F419-V468 HydrophobicContact CD2-CG2 3.92Å; F419-V468 HydrophobicContact CE1-CG2 4.31Å; F419-V468 HydrophobicContact CE2-CG2 4.48Å; F419-V468 HydrophobicContact CG-CG2 3.49Å; F419-V468 VanDerWaalsContact CG-CG2 3.49Å; F419-P472 WeakPolarHBondContact O-CA 3.12Å; F419-T473 PolarHBondContact N-O 2.95Å; F419-T473 PolarHBondContact O-N 3.16Å; F419-H475 HydrophobicContact CE2-CB 3.93Å; F419-H475 AromaticContact CE2-CG 3.81Å; F419-H475 AromaticContact CE2-ND1 3.68Å
420	Y	97.1	Very high	94.4	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	170.3	-169	81.3	-79.2	0	0	0	113.4	W390 M418 P422 C427 A451 V452 D453 C454	W390-Y420 HydrophobicContact CE3-CD1 4.35Å; W390-Y420 HydrophobicContact CE3-CD2 4.46Å; W390-Y420 AromaticContact CE3-CE1 3.84Å; W390-Y420 HydrophobicContact CE3-CE1 3.84Å; W390-Y420 AromaticContact CE3-CE2 3.98Å; W390-Y420 HydrophobicContact CE3-CE2 3.98Å; W390-Y420 AromaticContact CE3-CZ 3.65Å; W390-Y420 AromaticContact CZ3-CD1 3.86Å; W390-Y420 HydrophobicContact CZ3-CD1 3.86Å; W390-Y420 AromaticContact CZ3-CE1 3.71Å; W390-Y420 HydrophobicContact CZ3-CE1 3.71Å; W390-Y420 HydrophobicContact CZ3-CE2 4.39Å; W390-Y420 HydrophobicContact CZ3-CG 4.27Å; W390-Y420 AromaticContact CZ3-CZ 4Å; M418-Y420 HydrophobicContact CE-CG 4.11Å; Y420-P422 HydrophobicContact CE2-CG 4.16Å; Y420-C427 VanDerWaalsContact CB-SG 3.58Å; Y420-C427 HydrophobicContact CD2-CB 4.49Å; Y420-A451 HydrophobicContact CD1-CB 4.28Å; Y420-A451 HydrophobicContact CE1-CB 3.99Å; Y420-V452 VanDerWaalsContact CD1-O 3.22Å; Y420-V452 WeakPolarHBondContact CD1-O 3.33Å; Y420-V452 PolarHBondContact N-O 3.35Å; Y420-D453 HydrophobicContact CE1-CB 3.93Å; Y420-D453 HydrophobicContact CE2-CB 4.48Å; Y420-C454 PolarHBondContact O-N 2.99Å
421	A	93.4	Very high	94.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.231	C	C	.	.			trans	-128.7	134.5	168	0	0	0	0	0	109.4	W423 C424 V455 Y471	A421-W423 HydrophobicContact CB-CD2 4.19Å; A421-W423 HydrophobicContact CB-CH2 4.43Å; A421-W423 HydrophobicContact CB-CZ2 3.88Å; A421-W423 PolarHBondContact O-N 3.17Å; A421-C424 HydrophobicContact CB-CB 4.15Å; A421-C424 VanDerWaalsContact O-CB 3.28Å; A421-C424 WeakPolarHBondContact O-CB 3.35Å; A421-C424 PolarHBondContact O-N 3.07Å; A421-V455 HydrophobicContact CB-CG2 3.5Å; A421-V455 VanDerWaalsContact CB-CG2 3.5Å; A421-Y471 HydrophobicContact CB-CD2 3.6Å; A421-Y471 HydrophobicContact CB-CE2 3.86Å; A421-Y471 HydrophobicContact CB-CG 4.02Å
422	P	88.4	Confident	94.5	Very high	59 Å²	59	45 Å²	45	38%	0.383	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.9	-175.2	-27.8	34.4	0	0	0	114.4	Y420 C424 K428 D453	Y420-P422 HydrophobicContact CE2-CG 4.16Å; P422-C424 VanDerWaalsContact C-N 3.33Å; P422-K428 WeakPolarHBondContact O-CE 3.43Å; P422-D453 VanDerWaalsContact CD-OD1 3.3Å; P422-D453 WeakPolarHBondContact CD-OD1 3.3Å; P422-D453 WeakPolarHBondContact CG-OD2 3.26Å
423	W	83.8	Confident	94.6	Very high	167 Å²	167	45.8 Å²	45.8	63%	0.633	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.7	179.2	50.6	-102.8	0	0	0	113.7	A421 P425 Y471	A421-W423 HydrophobicContact CB-CD2 4.19Å; A421-W423 HydrophobicContact CB-CH2 4.43Å; A421-W423 HydrophobicContact CB-CZ2 3.88Å; A421-W423 PolarHBondContact O-N 3.17Å; W423-P425 WeakPolarHBondContact O-CD 3.4Å; W423-Y471 HydrophobicContact CH2-CD2 4.33Å; W423-Y471 HydrophobicContact CH2-CE2 4.47Å; W423-Y471 HydrophobicContact CZ2-CE2 4.41Å
424	C	90.5	Very high	94.7	Very high	8 Å²	8	44.4 Å²	44.4	5%	0.054	22%	0.217	C	C	.	.			trans	-78.1	120.2	-174.1	176.4	0	0	0	0	112.1	A421 P422 H426 C427 K428 Y471	A421-C424 HydrophobicContact CB-CB 4.15Å; A421-C424 VanDerWaalsContact O-CB 3.28Å; A421-C424 WeakPolarHBondContact O-CB 3.35Å; A421-C424 PolarHBondContact O-N 3.07Å; P422-C424 VanDerWaalsContact C-N 3.33Å; C424-H426 VanDerWaalsContact C-N 3.32Å; C424-H426 PolarHBondContact O-N 3.43Å; C424-C427 HydrophobicContact CB-CB 3.86Å; C424-C427 WeakPolarHBondContact CB-SG 3.48Å; C424-C427 WeakPolarHBondContact O-CB 3.47Å; C424-C427 PolarHBondContact O-N 3Å; C424-C427 PolarHBondContact SG-SG 3.32Å; C424-K428 PolarHBondContact O-N 3Å; C424-Y471 PolarHBondContact SG-O 3.06Å
425	P	89.1	Confident	94.7	Very high	95 Å²	95	45 Å²	45	62%	0.617	22%	0.221	S	C	*	.	H	α-helix	trans	-59.7	-38.1	179.8	-25.5	35.2	0	0	0	113.9	W423 C427 K428 K429	W423-P425 WeakPolarHBondContact O-CD 3.4Å; P425-C427 VanDerWaalsContact C-N 3.31Å; P425-C427 PolarHBondContact O-N 3.35Å; P425-K428 PolarHBondContact O-N 2.97Å; P425-K429 PolarHBondContact O-N 2.96Å; P425-K429 VanDerWaalsContact O-N 3.09Å
426	H	93.5	Very high	94.7	Very high	125 Å²	125	46.1 Å²	46.1	58%	0.579	23%	0.231	S	C	*	.	H	α-helix	trans	-68.2	-31.1	177.3	-60.5	-64.2	0	0	0	112.5	C424 A430	C424-H426 VanDerWaalsContact C-N 3.32Å; C424-H426 PolarHBondContact O-N 3.43Å; H426-A430 PolarHBondContact O-N 3.03Å
427	C	96	Very high	94.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-49.8	173.8	-63.3	0	0	0	0	109.9	M418 Y420 C424 P425 K429 A430 I431 Y471 P472	M418-C427 HydrophobicContact CE-CB 4Å; Y420-C427 VanDerWaalsContact CB-SG 3.58Å; Y420-C427 HydrophobicContact CD2-CB 4.49Å; C424-C427 HydrophobicContact CB-CB 3.86Å; C424-C427 WeakPolarHBondContact CB-SG 3.48Å; C424-C427 WeakPolarHBondContact O-CB 3.47Å; C424-C427 PolarHBondContact O-N 3Å; C424-C427 PolarHBondContact SG-SG 3.32Å; P425-C427 VanDerWaalsContact C-N 3.31Å; P425-C427 PolarHBondContact O-N 3.35Å; C427-K429 PolarHBondContact O-N 3.34Å; C427-A430 PolarHBondContact O-N 2.98Å; C427-I431 VanDerWaalsContact O-CG1 3.29Å; C427-I431 WeakPolarHBondContact O-CG1 3.46Å; C427-I431 PolarHBondContact O-N 3.22Å; C427-Y471 VanDerWaalsContact SG-CB 3.56Å; C427-P472 VanDerWaalsContact SG-CD 3.59Å; C427-P472 VanDerWaalsContact SG-N 3.43Å
428	K	93.4	Very high	94.5	Very high	130 Å²	130	46 Å²	46	57%	0.565	23%	0.231	S	C	*	.	H	α-helix	trans	-52.9	-39.1	177.2	-67.4	-175.1	-179.8	-169.2	0	112.5	P422 C424 P425 P432	P422-K428 WeakPolarHBondContact O-CE 3.43Å; C424-K428 PolarHBondContact O-N 3Å; P425-K428 PolarHBondContact O-N 2.97Å; K428-P432 VanDerWaalsContact O-CD 3.27Å; K428-P432 WeakPolarHBondContact O-CD 3.49Å
429	K	95	Very high	94.4	Very high	159 Å²	159	49.1 Å²	49.1	69%	0.691	25%	0.248	S	C	*	.	H	α-helix	trans	-69.9	-33.9	176	-168.2	174.7	-179.4	179.1	0	113.6	P425 C427 H433	P425-K429 PolarHBondContact O-N 2.96Å; P425-K429 VanDerWaalsContact O-N 3.09Å; C427-K429 PolarHBondContact O-N 3.34Å; K429-H433 PolarHBondContact O-CD2 3.37Å
430	A	95.9	Very high	94.2	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-82.6	-30.3	-178.2	0	0	0	0	0	113.6	M418 H426 C427 H433 F434 P472 F474	M418-A430 HydrophobicContact CE-CB 4.44Å; H426-A430 PolarHBondContact O-N 3.03Å; C427-A430 PolarHBondContact O-N 2.98Å; A430-H433 PolarHBondContact O-N 3.02Å; A430-F434 WeakPolarHBondContact O-CB 3.39Å; A430-F434 PolarHBondContact O-N 2.96Å; A430-P472 HydrophobicContact CB-CG 4.34Å; A430-F474 HydrophobicContact CB-CZ 4.14Å
431	I	95.8	Very high	94.1	Very high	30 Å²	30	53 Å²	53	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-47	-53.4	-179.3	-77.9	169.2	0	0	0	113.7	W390 M418 C427 H433 F434 T435	W390-I431 HydrophobicContact CB-CD1 4.44Å; W390-I431 HydrophobicContact CD2-CB 4.42Å; W390-I431 HydrophobicContact CD2-CD1 4Å; W390-I431 HydrophobicContact CD2-CG1 3.83Å; W390-I431 HydrophobicContact CD2-CG2 3.8Å; W390-I431 HydrophobicContact CE3-CD1 3.77Å; W390-I431 HydrophobicContact CE3-CG1 3.7Å; W390-I431 HydrophobicContact CG-CD1 4.3Å; W390-I431 HydrophobicContact CG-CG1 4.45Å; W390-I431 HydrophobicContact CG-CG2 3.79Å; W390-I431 HydrophobicContact CH2-CG1 4.08Å; W390-I431 HydrophobicContact CZ2-CG1 4.2Å; W390-I431 HydrophobicContact CZ2-CG2 4.24Å; W390-I431 HydrophobicContact CZ3-CD1 4.31Å; W390-I431 HydrophobicContact CZ3-CG1 3.84Å; M418-I431 HydrophobicContact CE-CG1 3.89Å; C427-I431 VanDerWaalsContact O-CG1 3.29Å; C427-I431 WeakPolarHBondContact O-CG1 3.46Å; C427-I431 PolarHBondContact O-N 3.22Å; I431-H433 VanDerWaalsContact C-N 3.33Å; I431-H433 PolarHBondContact O-N 3.22Å; I431-F434 PolarHBondContact O-N 3.21Å; I431-T435 WeakPolarHBondContact O-CB 3.44Å; I431-T435 PolarHBondContact O-N 3.27Å; I431-T435 PolarHBondContact O-OG1 2.77Å
432	P	95.8	Very high	94.1	Very high	73 Å²	73	59.1 Å²	59.1	47%	0.474	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-41.3	-177.6	22.2	-33.1	0	0	0	112.2	K428 T435 A436	K428-P432 VanDerWaalsContact O-CD 3.27Å; K428-P432 WeakPolarHBondContact O-CD 3.49Å; P432-T435 PolarHBondContact O-N 2.88Å; P432-A436 WeakPolarHBondContact O-CB 3.47Å; P432-A436 PolarHBondContact O-N 3.18Å
433	H	97.4	Very high	94.3	Very high	62 Å²	62	63.1 Å²	63.1	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-67	-40.5	178.1	-64	-51.7	0	0	0	113	K429 A430 I431 T437 E492 F495	K429-H433 PolarHBondContact O-CD2 3.37Å; A430-H433 PolarHBondContact O-N 3.02Å; I431-H433 VanDerWaalsContact C-N 3.33Å; I431-H433 PolarHBondContact O-N 3.22Å; H433-T437 PolarHBondContact O-N 3.46Å; H433-T437 VanDerWaalsContact O-N 3.09Å; H433-T437 PolarHBondContact O-OG1 3.31Å; H433-E492 HydrophobicContact CB-CB 4.3Å; H433-F495 HydrophobicContact CB-CD2 4.44Å; H433-F495 HydrophobicContact CB-CE2 4.19Å
434	F	97.7	Very high	94.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.6	-38.2	179.2	-163.3	-107.4	0	0	0	111.5	W390 V397 L416 M418 A430 I431 T437 A438 C449 A450 F474 F495	W390-F434 AromaticContact CH2-CD1 3.9Å; W390-F434 HydrophobicContact CH2-CD1 3.9Å; W390-F434 HydrophobicContact CZ2-CD1 4.08Å; V397-F434 HydrophobicContact CG1-CD1 4.44Å; V397-F434 HydrophobicContact CG1-CE1 4.25Å; V397-F434 HydrophobicContact CG2-CD1 4.34Å; L416-F434 HydrophobicContact CD2-CE2 3.77Å; L416-F434 HydrophobicContact CG-CE2 3.9Å; L416-F434 HydrophobicContact CG-CZ 4.29Å; M418-F434 HydrophobicContact CB-CD1 4.17Å; M418-F434 HydrophobicContact CB-CE1 3.75Å; M418-F434 HydrophobicContact CB-CE2 4.32Å; M418-F434 HydrophobicContact CB-CZ 3.83Å; M418-F434 HydrophobicContact SD-CB 4.35Å; M418-F434 HydrophobicContact SD-CD1 4.2Å; M418-F434 HydrophobicContact SD-CG 4.18Å; A430-F434 WeakPolarHBondContact O-CB 3.39Å; A430-F434 PolarHBondContact O-N 2.96Å; I431-F434 PolarHBondContact O-N 3.21Å; F434-T437 PolarHBondContact O-N 3.04Å; F434-A438 PolarHBondContact O-N 3.5Å; F434-C449 HydrophobicContact CE1-CB 3.82Å; F434-C449 HydrophobicContact CZ-CB 3.85Å; F434-A450 WeakPolarHBondContact CE1-O 3.41Å; F434-F474 HydrophobicContact CD2-CD1 4.24Å; F434-F474 AromaticContact CD2-CE1 3.69Å; F434-F474 HydrophobicContact CD2-CE1 3.69Å; F434-F474 AromaticContact CE2-CD1 3.87Å; F434-F474 HydrophobicContact CE2-CD1 3.87Å; F434-F474 AromaticContact CE2-CE1 3.78Å; F434-F474 HydrophobicContact CE2-CE1 3.78Å; F434-F474 HydrophobicContact CG-CE1 4.35Å; F434-F495 HydrophobicContact CB-CE2 4.13Å; F434-F495 HydrophobicContact CD2-CD1 4.26Å; F434-F495 HydrophobicContact CD2-CD2 4.04Å; F434-F495 HydrophobicContact CD2-CE1 4.1Å; F434-F495 AromaticContact CD2-CE2 3.9Å; F434-F495 HydrophobicContact CD2-CE2 3.9Å; F434-F495 HydrophobicContact CD2-CG 4.24Å; F434-F495 AromaticContact CD2-CZ 3.93Å; F434-F495 HydrophobicContact CD2-CZ 3.93Å; F434-F495 HydrophobicContact CE2-CE1 4.48Å
435	T	96.6	Very high	94.8	Very high	18 Å²	18	66.3 Å²	66.3	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-50.1	175.3	-56.2	0	0	0	0	111.2	W390 T395 I431 P432 T437 A438 D439	W390-T435 PolarHBondContact NE1-OG1 3.04Å; T395-T435 HydrophobicContact CG2-CG2 3.78Å; I431-T435 WeakPolarHBondContact O-CB 3.44Å; I431-T435 PolarHBondContact O-N 3.27Å; I431-T435 PolarHBondContact O-OG1 2.77Å; P432-T435 PolarHBondContact O-N 2.88Å; T435-T437 PolarHBondContact O-N 3.36Å; T435-A438 WeakPolarHBondContact O-CA 3.37Å; T435-A438 WeakPolarHBondContact O-CB 3.39Å; T435-A438 PolarHBondContact O-N 3.37Å; T435-D439 PolarHBondContact O-N 3.28Å
436	A	96	Very high	94.9	Very high	28 Å²	28	66.9 Å²	66.9	23%	0.231	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-38.3	176.3	0	0	0	0	0	112.1	P432 D439 A440 E492	P432-A436 WeakPolarHBondContact O-CB 3.47Å; P432-A436 PolarHBondContact O-N 3.18Å; A436-D439 PolarHBondContact O-N 2.9Å; A436-A440 WeakPolarHBondContact O-CB 3.45Å; A436-A440 PolarHBondContact O-N 3.32Å; A436-E492 HydrophobicContact CB-CG 4Å
437	T	96.1	Very high	95	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-44.6	174.5	-54.6	0	0	0	0	111.5	H433 F434 T435 D439 A440 F441 F495 I499	H433-T437 PolarHBondContact O-N 3.46Å; H433-T437 VanDerWaalsContact O-N 3.09Å; H433-T437 PolarHBondContact O-OG1 3.31Å; F434-T437 PolarHBondContact O-N 3.04Å; T435-T437 PolarHBondContact O-N 3.36Å; T437-D439 VanDerWaalsContact C-N 3.27Å; T437-D439 PolarHBondContact O-N 3.25Å; T437-A440 WeakPolarHBondContact O-CB 3Å; T437-A440 PolarHBondContact O-N 2.95Å; T437-F441 HydrophobicContact CG2-CD2 4.01Å; T437-F441 HydrophobicContact CG2-CE2 4.02Å; T437-F441 VanDerWaalsContact O-CD2 3.27Å; T437-F441 WeakPolarHBondContact O-CD2 3.08Å; T437-F441 PolarHBondContact O-N 3.24Å; T437-F495 HydrophobicContact CG2-CB 3.71Å; T437-F495 WeakPolarHBondContact OG1-CB 3.5Å; T437-I499 HydrophobicContact CG2-CD1 3.67Å
438	A	96.7	Very high	95	Very high	3 Å²	3	61.8 Å²	61.8	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-57.6	-43.5	176.2	0	0	0	0	0	111.5	V397 F434 T435 A440 F441 K442 C449	V397-A438 HydrophobicContact CB-CB 4.44Å; V397-A438 HydrophobicContact CG2-CB 3.5Å; F434-A438 PolarHBondContact O-N 3.5Å; T435-A438 WeakPolarHBondContact O-CA 3.37Å; T435-A438 WeakPolarHBondContact O-CB 3.39Å; T435-A438 PolarHBondContact O-N 3.37Å; A438-A440 VanDerWaalsContact C-N 3.35Å; A438-A440 PolarHBondContact O-N 3.18Å; A438-F441 CarbonylContact O-C 3.09Å; A438-F441 PolarHBondContact O-N 3.15Å; A438-K442 PolarHBondContact O-N 3.41Å; A438-C449 HydrophobicContact CB-CB 3.56Å
439	D	95	Very high	95.2	Very high	65 Å²	65	55.8 Å²	55.8	35%	0.348	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-38.4	177.6	-66.9	-30.9	0	0	0	112.2	S396 T435 A436 T437 F441 K442	S396-D439 WeakPolarHBondContact CB-OD1 3.09Å; S396-D439 PolarHBondContact N-OD1 3.45Å; S396-D439 PolarHBondContact OG-OD1 3.5Å; T435-D439 PolarHBondContact O-N 3.28Å; A436-D439 PolarHBondContact O-N 2.9Å; T437-D439 VanDerWaalsContact C-N 3.27Å; T437-D439 PolarHBondContact O-N 3.25Å; D439-F441 PolarHBondContact O-N 3.07Å; D439-K442 WeakPolarHBondContact O-CD 3.27Å; D439-K442 VanDerWaalsContact O-CG 3.29Å; D439-K442 WeakPolarHBondContact O-CG 3.14Å; D439-K442 PolarHBondContact O-N 3.32Å
440	A	94.8	Very high	95.4	Very high	67 Å²	67	48.2 Å²	48.2	55%	0.554	25%	0.247	S	C	*	.	H	α-helix	trans	-64.2	-23.5	176.7	0	0	0	0	0	113.6	A436 T437 A438	A436-A440 WeakPolarHBondContact O-CB 3.45Å; A436-A440 PolarHBondContact O-N 3.32Å; T437-A440 WeakPolarHBondContact O-CB 3Å; T437-A440 PolarHBondContact O-N 2.95Å; A438-A440 VanDerWaalsContact C-N 3.35Å; A438-A440 PolarHBondContact O-N 3.18Å
441	F	94.2	Very high	95.5	Very high	20 Å²	20	48 Å²	48	9%	0.088	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	8.9	-179.7	-67.1	-78.5	0	0	0	114.2	T437 A438 D439 D443 D444 I447 T496 I499 R500	T437-F441 HydrophobicContact CG2-CD2 4.01Å; T437-F441 HydrophobicContact CG2-CE2 4.02Å; T437-F441 VanDerWaalsContact O-CD2 3.27Å; T437-F441 WeakPolarHBondContact O-CD2 3.08Å; T437-F441 PolarHBondContact O-N 3.24Å; A438-F441 CarbonylContact O-C 3.09Å; A438-F441 PolarHBondContact O-N 3.15Å; D439-F441 PolarHBondContact O-N 3.07Å; F441-D443 PolarHBondContact O-N 3Å; F441-D443 VanDerWaalsContact O-N 3.15Å; F441-D444 WeakPolarHBondContact O-CB 3.23Å; F441-D444 PolarHBondContact O-N 3.38Å; F441-I447 HydrophobicContact CB-CG2 4.11Å; F441-I447 HydrophobicContact CD1-CD1 4.15Å; F441-I447 HydrophobicContact CG-CG2 4.39Å; F441-T496 HydrophobicContact CE2-CG2 4.05Å; F441-T496 HydrophobicContact CZ-CG2 4.06Å; F441-I499 HydrophobicContact CD1-CG2 3.77Å; F441-I499 HydrophobicContact CD2-CB 4.38Å; F441-I499 HydrophobicContact CD2-CD1 3.9Å; F441-I499 HydrophobicContact CD2-CG2 3.89Å; F441-I499 HydrophobicContact CE1-CB 4.38Å; F441-I499 HydrophobicContact CE1-CG2 3.53Å; F441-I499 HydrophobicContact CE2-CB 3.86Å; F441-I499 HydrophobicContact CE2-CD1 4.01Å; F441-I499 HydrophobicContact CE2-CG2 3.69Å; F441-I499 HydrophobicContact CG-CG2 3.95Å; F441-I499 HydrophobicContact CZ-CB 3.84Å; F441-I499 HydrophobicContact CZ-CG2 3.49Å; F441-I499 VanDerWaalsContact CZ-CG2 3.49Å; F441-R500 HydrophobicContact CZ-CG 4.12Å
442	K	93.3	Very high	95.5	Very high	129 Å²	129	46.6 Å²	46.6	56%	0.561	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.1	-174.1	72	-172.1	179.3	-179.9	0	114.3	S396 A438 D439 D444	S396-K442 WeakPolarHBondContact OG-CB 3.01Å; A438-K442 PolarHBondContact O-N 3.41Å; D439-K442 WeakPolarHBondContact O-CD 3.27Å; D439-K442 VanDerWaalsContact O-CG 3.29Å; D439-K442 WeakPolarHBondContact O-CG 3.14Å; D439-K442 PolarHBondContact O-N 3.32Å; K442-D444 VanDerWaalsContact C-N 3.31Å
443	D	93.4	Very high	95.6	Very high	143 Å²	143	43.8 Å²	43.8	77%	0.765	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.7	-179.4	-62.1	-46.4	0	0	0	113	F441 R445	F441-D443 PolarHBondContact O-N 3Å; F441-D443 VanDerWaalsContact O-N 3.15Å; D443-R445 PolarHBondContact O-N 3.06Å
444	D	93.1	Very high	95.5	Very high	21 Å²	21	41.1 Å²	41.1	11%	0.112	21%	0.208	C	C	.	.			trans	-83	105.8	173.2	-169.3	-14	0	0	0	111.7	F441 K442 K446 I447 R503	F441-D444 WeakPolarHBondContact O-CB 3.23Å; F441-D444 PolarHBondContact O-N 3.38Å; K442-D444 VanDerWaalsContact C-N 3.31Å; D444-K446 PolarHBondContact O-N 2.8Å; D444-K446 VanDerWaalsContact O-N 3.13Å; D444-K446 WeakPolarHBondContact OD1-CA 3.45Å; D444-K446 WeakPolarHBondContact OD1-CB 3.37Å; D444-K446 PolarHBondContact OD1-N 3.34Å; D444-I447 HydrophobicContact CB-CB 4.09Å; D444-I447 HydrophobicContact CB-CD1 4.45Å; D444-I447 HydrophobicContact CB-CG1 4.32Å; D444-I447 PolarHBondContact O-N 2.98Å; D444-I447 VanDerWaalsContact O-N 3.15Å; D444-I447 WeakPolarHBondContact OD2-CD1 3.43Å; D444-I447 WeakPolarHBondContact OD2-CG1 3.37Å; D444-R503 VanDerWaalsContact CB-NH2 3.34Å; D444-R503 IonicContact OD2-CZ 2.78Å; D444-R503 IonicContact OD2-NE 3.62Å; D444-R503 PolarHBondContact OD2-NE 2.97Å; D444-R503 IonicContact OD2-NH2 3.06Å; D444-R503 PolarHBondContact OD2-NH2 3.29Å
445	R	91.4	Very high	95.2	Very high	221 Å²	221	44 Å²	44	83%	0.834	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.1	177.3	-62	-174.4	-177.8	-174.2	0.2	113.4	K412 D443	K412-R445 VanDerWaalsContact CD-O 3.25Å; K412-R445 WeakPolarHBondContact CD-O 3.35Å; K412-R445 PolarHBondContact NZ-O 3.06Å; D443-R445 PolarHBondContact O-N 3.06Å
446	K	92.8	Very high	94.8	Very high	108 Å²	108	46.9 Å²	46.9	47%	0.47	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.2	-178.8	-69.4	177.5	-179.8	171.6	0	113.5	K413 H414 D444	K413-K446 WeakPolarHBondContact CA-O 3.4Å; K413-K446 HydrophobicContact CB-CB 3.97Å; K413-K446 HydrophobicContact CB-CG 4.38Å; K413-K446 WeakPolarHBondContact CB-O 3.49Å; K413-K446 HydrophobicContact CD-CD 4.31Å; K413-K446 PolarHBondContact N-O 3.4Å; H414-K446 PolarHBondContact N-O 3.12Å; D444-K446 PolarHBondContact O-N 2.8Å; D444-K446 VanDerWaalsContact O-N 3.13Å; D444-K446 WeakPolarHBondContact OD1-CA 3.45Å; D444-K446 WeakPolarHBondContact OD1-CB 3.37Å; D444-K446 PolarHBondContact OD1-N 3.34Å
447	I	94.9	Very high	94	Very high	6 Å²	6	52 Å²	52	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.7	-175.3	-58.4	178.5	0	0	0	109.8	K412 H414 F441 D444 I499 R503	K412-I447 PolarHBondContact NZ-O 3.37Å; H414-I447 HydrophobicContact CB-CG1 4.21Å; H414-I447 CarbonylContact O-C 3.55Å; H414-I447 VanDerWaalsContact O-CA 3.32Å; H414-I447 WeakPolarHBondContact O-CA 3.5Å; F441-I447 HydrophobicContact CB-CG2 4.11Å; F441-I447 HydrophobicContact CD1-CD1 4.15Å; F441-I447 HydrophobicContact CG-CG2 4.39Å; D444-I447 HydrophobicContact CB-CB 4.09Å; D444-I447 HydrophobicContact CB-CD1 4.45Å; D444-I447 HydrophobicContact CB-CG1 4.32Å; D444-I447 PolarHBondContact O-N 2.98Å; D444-I447 VanDerWaalsContact O-N 3.15Å; D444-I447 WeakPolarHBondContact OD2-CD1 3.43Å; D444-I447 WeakPolarHBondContact OD2-CG1 3.37Å; I447-I499 HydrophobicContact CD1-CG2 3.58Å; I447-I499 HydrophobicContact CG2-CD1 4.47Å; I447-I499 HydrophobicContact CG2-CG2 3.75Å; I447-R503 HydrophobicContact CD1-CG 3.67Å
448	A	96.3	Very high	93.4	Very high	11 Å²	11	59.6 Å²	59.6	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147.7	167.7	0	0	0	0	0	110.7	L398 K412 H414 T415 L416	L398-A448 HydrophobicContact CD1-CB 3.79Å; K412-A448 HydrophobicContact CB-CB 4.46Å; K412-A448 HydrophobicContact CD-CB 4.02Å; K412-A448 HydrophobicContact CG-CB 3.84Å; H414-A448 PolarHBondContact O-N 3.49Å; T415-A448 VanDerWaalsContact CA-O 3.29Å; T415-A448 WeakPolarHBondContact CA-O 3.49Å; T415-A448 HydrophobicContact CG2-CB 4.07Å; L416-A448 PolarHBondContact N-O 3.25Å
449	C	97.8	Very high	93.1	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.027	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.1	159.6	-66.4	0	0	0	0	107.2	L398 L416 F434 A438	L398-C449 PolarHBondContact N-O 3.26Å; L416-C449 CarbonylContact O-C 3.55Å; L416-C449 WeakPolarHBondContact O-CA 3.39Å; F434-C449 HydrophobicContact CE1-CB 3.82Å; F434-C449 HydrophobicContact CZ-CB 3.85Å; A438-C449 HydrophobicContact CB-CB 3.56Å
450	A	97.7	Very high	92.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.8	-178.5	0	0	0	0	0	110.9	L398 L400 T415 L416 V417 M418 F434	L398-A450 HydrophobicContact CB-CB 4.1Å; L398-A450 CarbonylContact O-C 3.59Å; L398-A450 WeakPolarHBondContact O-CA 3.3Å; L398-A450 WeakPolarHBondContact O-CB 3.43Å; L400-A450 HydrophobicContact CD1-CB 3.64Å; L400-A450 HydrophobicContact CG-CB 3.99Å; T415-A450 HydrophobicContact CG2-CB 3.87Å; L416-A450 PolarHBondContact O-N 3.05Å; V417-A450 CarbonylContact C-O 3.43Å; V417-A450 VanDerWaalsContact CA-O 3.28Å; V417-A450 WeakPolarHBondContact CA-O 3.38Å; V417-A450 HydrophobicContact CG2-CB 4.22Å; M418-A450 PolarHBondContact N-O 2.93Å; F434-A450 WeakPolarHBondContact CE1-O 3.41Å
451	A	97.8	Very high	92.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144	178.8	0	0	0	0	0	111.1	W390 V397 L398 H399 L400 M418 Y420	W390-A451 HydrophobicContact CE3-CB 4.38Å; W390-A451 HydrophobicContact CH2-CB 3.62Å; W390-A451 HydrophobicContact CZ3-CB 3.51Å; V397-A451 HydrophobicContact CG1-CB 3.71Å; L398-A451 PolarHBondContact O-N 3.21Å; H399-A451 WeakPolarHBondContact CA-O 3.25Å; L400-A451 PolarHBondContact N-O 3.02Å; M418-A451 CarbonylContact O-C 3.5Å; M418-A451 VanDerWaalsContact O-CA 3.27Å; M418-A451 WeakPolarHBondContact O-CA 3.47Å; Y420-A451 HydrophobicContact CD1-CB 4.28Å; Y420-A451 HydrophobicContact CE1-CB 3.99Å
452	V	97.6	Very high	92.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.4	175.6	178.2	0	0	0	0	108.3	L400 F405 V417 M418 F419 Y420 C454 N459 L462	L400-V452 HydrophobicContact CB-CG2 4.05Å; F405-V452 HydrophobicContact CD2-CG2 3.91Å; F405-V452 HydrophobicContact CE2-CG2 3.81Å; V417-V452 HydrophobicContact CG1-CG2 4.04Å; M418-V452 PolarHBondContact O-N 3.34Å; F419-V452 HydrophobicContact CD1-CB 3.69Å; F419-V452 HydrophobicContact CD1-CG1 3.98Å; F419-V452 HydrophobicContact CD1-CG2 4.19Å; F419-V452 HydrophobicContact CE1-CB 3.93Å; F419-V452 HydrophobicContact CE1-CG1 4.15Å; F419-V452 HydrophobicContact CE1-CG2 3.93Å; Y420-V452 VanDerWaalsContact CD1-O 3.22Å; Y420-V452 WeakPolarHBondContact CD1-O 3.33Å; Y420-V452 PolarHBondContact N-O 3.35Å; V452-C454 PolarHBondContact O-N 3.15Å; V452-N459 HydrophobicContact CG1-CB 4.09Å; V452-L462 HydrophobicContact CG1-CD2 3.86Å; V452-L462 HydrophobicContact CG2-CD2 4.22Å
453	D	96.5	Very high	92.6	Very high	14 Å²	14	57 Å²	57	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	109.9	171.4	-175.9	-15.3	0	0	0	109.5	Y420 P422 V455 K456 N459	Y420-D453 HydrophobicContact CE1-CB 3.93Å; Y420-D453 HydrophobicContact CE2-CB 4.48Å; P422-D453 VanDerWaalsContact CD-OD1 3.3Å; P422-D453 WeakPolarHBondContact CD-OD1 3.3Å; P422-D453 WeakPolarHBondContact CG-OD2 3.26Å; D453-V455 VanDerWaalsContact C-N 3.29Å; D453-V455 PolarHBondContact O-N 2.83Å; D453-V455 WeakPolarHBondContact OD1-CB 3.44Å; D453-V455 PolarHBondContact OD1-N 2.9Å; D453-K456 HydrophobicContact CB-CD 4.29Å; D453-K456 HydrophobicContact CB-CG 4.27Å; D453-N459 WeakPolarHBondContact O-CB 3.47Å; D453-N459 PolarHBondContact O-ND2 3.47Å
454	C	95.1	Very high	92.6	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.041	27%	0.27	C	S	.	.	S	Bend	trans	-80.9	-4.4	-177.6	-64.7	0	0	0	0	114.4	Y420 V452 C463 Y471	Y420-C454 PolarHBondContact O-N 2.99Å; V452-C454 PolarHBondContact O-N 3.15Å; C454-C463 WeakPolarHBondContact CA-SG 3.27Å; C454-C463 HydrophobicContact CB-CB 3.65Å; C454-C463 WeakPolarHBondContact CB-SG 3.45Å; C454-C463 WeakPolarHBondContact SG-CB 3.44Å; C454-C463 CovalentContact SG-SG 2.03Å; C454-C463 PolarHBondContact SG-SG 3.47Å; C454-Y471 HydrophobicContact CB-CE1 3.51Å; C454-Y471 VanDerWaalsContact CB-OH 3.26Å; C454-Y471 WeakPolarHBondContact CB-OH 3.19Å
455	V	91.5	Very high	92.5	Very high	61 Å²	61	62.6 Å²	62.6	37%	0.37	29%	0.294	S	S	.	.	S	Bend	trans	-85.5	-28	177.4	-176	0	0	0	0	110.8	A421 D453	A421-V455 HydrophobicContact CB-CG2 3.5Å; A421-V455 VanDerWaalsContact CB-CG2 3.5Å; D453-V455 VanDerWaalsContact C-N 3.29Å; D453-V455 PolarHBondContact O-N 2.83Å; D453-V455 WeakPolarHBondContact OD1-CB 3.44Å; D453-V455 PolarHBondContact OD1-N 2.9Å
456	K	88.5	Confident	92.6	Very high	78 Å²	78	53.5 Å²	53.5	34%	0.339	26%	0.261	S	S	.	.	S	Bend	trans	-64.1	133.4	176.4	-72.4	-174.7	174.3	-178.3	0	111.2	E391 D453 K458 N459 Q460	E391-K456 IonicContact OE1-NZ 2.9Å; E391-K456 PolarHBondContact OE1-NZ 3.49Å; E391-K456 IonicContact OE2-NZ 2.55Å; E391-K456 PolarHBondContact OE2-NZ 3.12Å; D453-K456 HydrophobicContact CB-CD 4.29Å; D453-K456 HydrophobicContact CB-CG 4.27Å; K456-K458 PolarHBondContact O-N 2.79Å; K456-K458 VanDerWaalsContact O-N 3.12Å; K456-N459 PolarHBondContact O-N 3.47Å; K456-Q460 PolarHBondContact O-N 2.95Å
457	D	80.3	Confident	92.6	Very high	136 Å²	136	50.7 Å²	50.7	73%	0.727	26%	0.258	S	S	*	.	H	α-helix	trans	-51.9	-40	-178.5	-62.1	-25.5	0	0	0	112.9	N459 Q460	D457-N459 PolarHBondContact O-N 2.73Å; D457-N459 VanDerWaalsContact O-N 3.13Å; D457-Q460 PolarHBondContact O-N 2.9Å; D457-Q460 PolarHBondContact OD1-NE2 3.19Å
458	K	83.4	Confident	92.5	Very high	158 Å²	158	51.3 Å²	51.3	69%	0.687	26%	0.262	S	S	*	.	H	α-helix	trans	-66	-13.7	178.9	-64.7	-172.9	179.2	-177.4	0	114.7	K456	K456-K458 PolarHBondContact O-N 2.79Å; K456-K458 VanDerWaalsContact O-N 3.12Å
459	N	90.8	Very high	92.2	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.011	29%	0.291	C	S	.	.	H	α-helix	trans	-116.2	-8	-173.6	-71.1	-13.1	0	0	0	113.5	M401 G402 V452 D453 K456 D457 D461 L462 C463	M401-N459 VanDerWaalsContact CA-OD1 3.22Å; M401-N459 WeakPolarHBondContact CA-OD1 3.47Å; G402-N459 PolarHBondContact N-OD1 2.87Å; G402-N459 VanDerWaalsContact N-OD1 3.14Å; V452-N459 HydrophobicContact CG1-CB 4.09Å; D453-N459 WeakPolarHBondContact O-CB 3.47Å; D453-N459 PolarHBondContact O-ND2 3.47Å; K456-N459 PolarHBondContact O-N 3.47Å; D457-N459 PolarHBondContact O-N 2.73Å; D457-N459 VanDerWaalsContact O-N 3.13Å; N459-D461 PolarHBondContact O-N 3.3Å; N459-L462 WeakPolarHBondContact O-CB 3.44Å; N459-L462 PolarHBondContact O-N 2.87Å; N459-C463 PolarHBondContact O-N 2.76Å; N459-C463 PolarHBondContact O-SG 2.97Å; N459-C463 VanDerWaalsContact O-SG 3.37Å
460	Q	87.3	Confident	92	Very high	100 Å²	100	61.3 Å²	61.3	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-48.8	-178.7	-70.2	179	10.8	0	0	111.3	K456 D457 L462 C463 Q464	K456-Q460 PolarHBondContact O-N 2.95Å; D457-Q460 PolarHBondContact O-N 2.9Å; D457-Q460 PolarHBondContact OD1-NE2 3.19Å; Q460-L462 VanDerWaalsContact C-N 3.34Å; Q460-L462 PolarHBondContact O-N 2.84Å; Q460-C463 PolarHBondContact O-N 2.8Å; Q460-Q464 PolarHBondContact O-N 2.84Å
461	D	91.5	Very high	91.8	Very high	108 Å²	108	64.3 Å²	64.3	58%	0.578	33%	0.326	S	S	*	.	H	α-helix	trans	-61.5	-41.3	176.7	-73	-15.4	0	0	0	112.2	N459 Q464 Q465	N459-D461 PolarHBondContact O-N 3.3Å; D461-Q464 PolarHBondContact O-N 3.38Å; D461-Q465 WeakPolarHBondContact O-CB 3.34Å; D461-Q465 WeakPolarHBondContact O-CG 3.43Å; D461-Q465 PolarHBondContact O-N 2.79Å
462	L	92.7	Very high	91.8	Very high	14 Å²	14	64.4 Å²	64.4	7%	0.073	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-48.3	177.3	172.9	63	0	0	0	110.5	F405 V452 N459 Q460 Q464 Q465 E466	F405-L462 HydrophobicContact CB-CD1 4.48Å; F405-L462 HydrophobicContact CB-CD2 3.98Å; F405-L462 HydrophobicContact CD1-CD1 3.65Å; F405-L462 HydrophobicContact CD1-CD2 4.31Å; F405-L462 HydrophobicContact CD2-CD2 3.8Å; F405-L462 HydrophobicContact CE1-CD1 3.9Å; F405-L462 HydrophobicContact CE2-CD2 4.33Å; F405-L462 HydrophobicContact CG-CD1 3.99Å; F405-L462 HydrophobicContact CG-CD2 3.79Å; F405-L462 HydrophobicContact CZ-CD1 4.45Å; V452-L462 HydrophobicContact CG1-CD2 3.86Å; V452-L462 HydrophobicContact CG2-CD2 4.22Å; N459-L462 WeakPolarHBondContact O-CB 3.44Å; N459-L462 PolarHBondContact O-N 2.87Å; Q460-L462 VanDerWaalsContact C-N 3.34Å; Q460-L462 PolarHBondContact O-N 2.84Å; L462-Q464 VanDerWaalsContact C-N 3.3Å; L462-Q464 PolarHBondContact O-N 3.36Å; L462-Q465 PolarHBondContact O-N 3Å; L462-E466 HydrophobicContact CD1-CG 3.94Å; L462-E466 WeakPolarHBondContact O-CB 2.99Å; L462-E466 WeakPolarHBondContact O-CG 3.2Å; L462-E466 PolarHBondContact O-N 2.77Å
463	C	95.1	Very high	91.8	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.034	33%	0.332	C	S	.	.	H	α-helix	trans	-66.7	-33	-179.7	-66.5	0	0	0	0	112.5	C454 N459 Q460 A467 V468	C454-C463 WeakPolarHBondContact CA-SG 3.27Å; C454-C463 HydrophobicContact CB-CB 3.65Å; C454-C463 WeakPolarHBondContact CB-SG 3.45Å; C454-C463 WeakPolarHBondContact SG-CB 3.44Å; C454-C463 CovalentContact SG-SG 2.03Å; C454-C463 PolarHBondContact SG-SG 3.47Å; N459-C463 PolarHBondContact O-N 2.76Å; N459-C463 PolarHBondContact O-SG 2.97Å; N459-C463 VanDerWaalsContact O-SG 3.37Å; Q460-C463 PolarHBondContact O-N 2.8Å; C463-A467 PolarHBondContact O-N 2.84Å; C463-V468 HydrophobicContact CB-CB 4.23Å; C463-V468 HydrophobicContact CB-CG2 4.23Å; C463-V468 WeakPolarHBondContact O-CB 3.22Å; C463-V468 WeakPolarHBondContact O-CG2 3.37Å; C463-V468 PolarHBondContact O-N 3.37Å
464	Q	91.9	Very high	91.8	Very high	151 Å²	151	64.9 Å²	64.9	71%	0.706	33%	0.33	S	S	*	.	H	α-helix	trans	-67.1	-44.9	171.8	-172	177.9	9.3	0	0	111.9	Q460 D461 L462 E466 A467	Q460-Q464 PolarHBondContact O-N 2.84Å; D461-Q464 PolarHBondContact O-N 3.38Å; L462-Q464 VanDerWaalsContact C-N 3.3Å; L462-Q464 PolarHBondContact O-N 3.36Å; Q464-E466 VanDerWaalsContact C-N 3.32Å; Q464-E466 PolarHBondContact O-N 2.91Å; Q464-A467 WeakPolarHBondContact O-CA 3.34Å; Q464-A467 PolarHBondContact O-N 3.13Å
465	Q	92.5	Very high	91.9	Very high	131 Å²	131	64.7 Å²	64.7	61%	0.612	33%	0.328	S	S	*	.	H	α-helix	trans	-62.3	-39.8	177	-74.7	172	36.6	0	0	112.1	D461 L462 A467	D461-Q465 WeakPolarHBondContact O-CB 3.34Å; D461-Q465 WeakPolarHBondContact O-CG 3.43Å; D461-Q465 PolarHBondContact O-N 2.79Å; L462-Q465 PolarHBondContact O-N 3Å; Q465-A467 PolarHBondContact O-N 3.01Å
466	E	92.5	Very high	92.2	Very high	31 Å²	31	62.5 Å²	62.5	15%	0.145	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	9.8	173.8	-63.6	-60.2	157.8	0	0	112.3	F405 F419 L462 Q464 V468 H475 Y477	F405-E466 HydrophobicContact CE1-CG 4.39Å; F405-E466 HydrophobicContact CZ-CG 4.46Å; F419-E466 HydrophobicContact CE1-CB 4.06Å; F419-E466 HydrophobicContact CE1-CG 4.05Å; F419-E466 HydrophobicContact CE2-CB 4.39Å; F419-E466 HydrophobicContact CZ-CB 3.79Å; F419-E466 HydrophobicContact CZ-CG 3.72Å; L462-E466 HydrophobicContact CD1-CG 3.94Å; L462-E466 WeakPolarHBondContact O-CB 2.99Å; L462-E466 WeakPolarHBondContact O-CG 3.2Å; L462-E466 PolarHBondContact O-N 2.77Å; Q464-E466 VanDerWaalsContact C-N 3.32Å; Q464-E466 PolarHBondContact O-N 2.91Å; E466-V468 HydrophobicContact CB-CG2 4.16Å; E466-V468 PolarHBondContact O-N 2.92Å; E466-V468 VanDerWaalsContact O-N 3.13Å; E466-H475 PolarHBondContact O-CE1 3.16Å; E466-H475 IonicContact OE2-ND1 3.84Å; E466-Y477 PolarHBondContact OE2-OH 2.87Å
467	A	92.4	Very high	92.6	Very high	48 Å²	48	59 Å²	59	40%	0.397	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	39.2	175.4	0	0	0	0	0	113.4	C463 Q464 Q465 K469	C463-A467 PolarHBondContact O-N 2.84Å; Q464-A467 WeakPolarHBondContact O-CA 3.34Å; Q464-A467 PolarHBondContact O-N 3.13Å; Q465-A467 PolarHBondContact O-N 3.01Å; A467-K469 PolarHBondContact O-N 2.93Å
468	V	93.3	Very high	93.4	Very high	19 Å²	19	55 Å²	55	12%	0.115	27%	0.274	C	S	.	.			trans	-74.4	110.3	176.1	-177.8	0	0	0	0	108.6	F419 C463 E466 Y471	F419-V468 HydrophobicContact CB-CB 4.45Å; F419-V468 HydrophobicContact CB-CG1 3.9Å; F419-V468 HydrophobicContact CB-CG2 3.67Å; F419-V468 HydrophobicContact CD1-CG2 3.72Å; F419-V468 HydrophobicContact CD2-CG2 3.92Å; F419-V468 HydrophobicContact CE1-CG2 4.31Å; F419-V468 HydrophobicContact CE2-CG2 4.48Å; F419-V468 HydrophobicContact CG-CG2 3.49Å; F419-V468 VanDerWaalsContact CG-CG2 3.49Å; C463-V468 HydrophobicContact CB-CB 4.23Å; C463-V468 HydrophobicContact CB-CG2 4.23Å; C463-V468 WeakPolarHBondContact O-CB 3.22Å; C463-V468 WeakPolarHBondContact O-CG2 3.37Å; C463-V468 PolarHBondContact O-N 3.37Å; E466-V468 HydrophobicContact CB-CG2 4.16Å; E466-V468 PolarHBondContact O-N 2.92Å; E466-V468 VanDerWaalsContact O-N 3.13Å; V468-Y471 HydrophobicContact CG1-CD1 3.87Å; V468-Y471 HydrophobicContact CG1-CE1 3.54Å
469	K	90.8	Very high	93.9	Very high	165 Å²	165	53 Å²	53	72%	0.717	26%	0.264	S	S	*	.			trans	-103.8	-17.2	-176.6	-63.9	-179.8	-178.1	-179.7	0	113.7	A467	A467-K469 PolarHBondContact O-N 2.93Å
470	A	92.3	Very high	93.9	Very high	60 Å²	60	54.2 Å²	54.2	50%	0.496	28%	0.277	S	S	.	.	S	Bend	trans	-155.3	160.1	-177.9	0	0	0	0	0	110.2	T473	A470-T473 PolarHBondContact O-OG1 2.98Å
471	Y	94.7	Very high	94.3	Very high	64 Å²	64	57.4 Å²	57.4	25%	0.251	29%	0.289	S	S	.	.	S	Bend	trans	-117.7	142.5	-177.9	-51.8	-60.6	0	0	0	112.1	A421 W423 C424 C427 C454 V468	A421-Y471 HydrophobicContact CB-CD2 3.6Å; A421-Y471 HydrophobicContact CB-CE2 3.86Å; A421-Y471 HydrophobicContact CB-CG 4.02Å; W423-Y471 HydrophobicContact CH2-CD2 4.33Å; W423-Y471 HydrophobicContact CH2-CE2 4.47Å; W423-Y471 HydrophobicContact CZ2-CE2 4.41Å; C424-Y471 PolarHBondContact SG-O 3.06Å; C427-Y471 VanDerWaalsContact SG-CB 3.56Å; C454-Y471 HydrophobicContact CB-CE1 3.51Å; C454-Y471 VanDerWaalsContact CB-OH 3.26Å; C454-Y471 WeakPolarHBondContact CB-OH 3.19Å; V468-Y471 HydrophobicContact CG1-CD1 3.87Å; V468-Y471 HydrophobicContact CG1-CE1 3.54Å
472	P	96.6	Very high	94.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	28%	0.282	C	S	.	.	S	Bend	cis	-74.4	147.7	-14.4	30.7	-33.5	0	0	0	111.5	M418 F419 C427 A430 F474 R490	M418-P472 HydrophobicContact CE-CB 4Å; M418-P472 HydrophobicContact CG-CB 4.27Å; F419-P472 WeakPolarHBondContact O-CA 3.12Å; C427-P472 VanDerWaalsContact SG-CD 3.59Å; C427-P472 VanDerWaalsContact SG-N 3.43Å; A430-P472 HydrophobicContact CB-CG 4.34Å; P472-F474 HydrophobicContact CB-CE2 3.77Å; P472-F474 HydrophobicContact CB-CZ 3.94Å; P472-F474 HydrophobicContact CG-CE2 3.73Å; P472-F474 HydrophobicContact CG-CZ 4.08Å; P472-R490 PolarHBondContact O-NH2 3.48Å
473	T	97.3	Very high	94.4	Very high	22 Å²	22	58.2 Å²	58.2	14%	0.135	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.3	167.5	-71.1	0	0	0	0	108.8	F419 A470 H475	F419-T473 PolarHBondContact N-O 2.95Å; F419-T473 PolarHBondContact O-N 3.16Å; A470-T473 PolarHBondContact O-OG1 2.98Å; T473-H475 WeakPolarHBondContact CG2-NE2 3.5Å
474	F	97.9	Very high	94.3	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.013	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.7	-179.2	-62.5	-90.7	0	0	0	110.8	L416 V417 M418 A430 F434 P472 Y486 R490 F495	L416-F474 HydrophobicContact CD1-CB 4.33Å; V417-F474 CarbonylContact O-C 3.54Å; V417-F474 VanDerWaalsContact O-CA 3.29Å; V417-F474 WeakPolarHBondContact O-CA 3.48Å; M418-F474 HydrophobicContact CB-CD1 3.83Å; M418-F474 HydrophobicContact CB-CE1 3.6Å; M418-F474 HydrophobicContact CB-CZ 4.48Å; M418-F474 HydrophobicContact CG-CD1 4.16Å; M418-F474 HydrophobicContact CG-CE1 3.56Å; M418-F474 HydrophobicContact CG-CZ 3.97Å; M418-F474 HydrophobicContact SD-CE1 3.6Å; M418-F474 VanDerWaalsContact SD-CE1 3.6Å; M418-F474 HydrophobicContact SD-CZ 3.76Å; A430-F474 HydrophobicContact CB-CZ 4.14Å; F434-F474 HydrophobicContact CD2-CD1 4.24Å; F434-F474 AromaticContact CD2-CE1 3.69Å; F434-F474 HydrophobicContact CD2-CE1 3.69Å; F434-F474 AromaticContact CE2-CD1 3.87Å; F434-F474 HydrophobicContact CE2-CD1 3.87Å; F434-F474 AromaticContact CE2-CE1 3.78Å; F434-F474 HydrophobicContact CE2-CE1 3.78Å; F434-F474 HydrophobicContact CG-CE1 4.35Å; P472-F474 HydrophobicContact CB-CE2 3.77Å; P472-F474 HydrophobicContact CB-CZ 3.94Å; P472-F474 HydrophobicContact CG-CE2 3.73Å; P472-F474 HydrophobicContact CG-CZ 4.08Å; F474-Y486 HydrophobicContact CB-CD1 3.87Å; F474-Y486 HydrophobicContact CB-CG 4.21Å; F474-Y486 HydrophobicContact CD2-CD1 4.34Å; F474-Y486 HydrophobicContact CG-CD1 4.13Å; F474-Y486 PolarHBondContact O-N 3.42Å; F474-R490 HydrophobicContact CD2-CG 4.5Å; F474-R490 HydrophobicContact CE2-CG 3.86Å; F474-F495 AromaticContact CD1-CE1 3.87Å; F474-F495 HydrophobicContact CD1-CE1 3.87Å; F474-F495 HydrophobicContact CD1-CZ 4.24Å; F474-F495 HydrophobicContact CD2-CE1 4.49Å; F474-F495 AromaticContact CE1-CE1 3.68Å; F474-F495 HydrophobicContact CE1-CE1 3.68Å; F474-F495 AromaticContact CE1-CZ 3.56Å; F474-F495 HydrophobicContact CE1-CZ 3.56Å; F474-F495 HydrophobicContact CE2-CE1 4.34Å; F474-F495 HydrophobicContact CE2-CZ 4.18Å; F474-F495 HydrophobicContact CG-CE1 4.28Å; F474-F495 AromaticContact CZ-CE1 3.94Å; F474-F495 HydrophobicContact CZ-CE1 3.94Å; F474-F495 AromaticContact CZ-CZ 3.54Å; F474-F495 HydrophobicContact CZ-CZ 3.54Å
475	H	97.5	Very high	94.4	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.4	177.9	-74.6	-170.1	0	0	0	110.2	V417 F419 E466 T473 Y477 L482 K485	V417-H475 PolarHBondContact N-O 3.22Å; V417-H475 PolarHBondContact O-N 3.05Å; F419-H475 HydrophobicContact CE2-CB 3.93Å; F419-H475 AromaticContact CE2-CG 3.81Å; F419-H475 AromaticContact CE2-ND1 3.68Å; E466-H475 PolarHBondContact O-CE1 3.16Å; E466-H475 IonicContact OE2-ND1 3.84Å; T473-H475 WeakPolarHBondContact CG2-NE2 3.5Å; H475-Y477 HydrophobicContact CB-CD2 4.24Å; H475-Y477 HydrophobicContact CB-CE2 3.43Å; H475-Y477 VanDerWaalsContact CB-CE2 3.43Å; H475-Y477 PolarHBondContact ND1-OH 2.96Å; H475-L482 HydrophobicContact CB-CD1 3.62Å; H475-K485 WeakPolarHBondContact NE2-CE 3.27Å
476	Y	97.3	Very high	94.4	Very high	15 Å²	15	53.9 Å²	53.9	6%	0.059	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.6	172.6	164.2	-123.8	0	0	0	110.5	H414 T415 H478 A483 E484 F498 L502	H414-Y476 HydrophobicContact CB-CE2 3.89Å; H414-Y476 PolarHBondContact CE1-OH 2.61Å; H414-Y476 AromaticContact ND1-CE2 3.64Å; H414-Y476 AromaticContact ND1-CZ 3.56Å; H414-Y476 PolarHBondContact ND1-OH 3.15Å; T415-Y476 WeakPolarHBondContact O-CA 3.5Å; Y476-H478 PolarHBondContact OH-ND1 3.23Å; Y476-A483 HydrophobicContact CD1-CB 3.57Å; Y476-A483 HydrophobicContact CE1-CB 3.48Å; Y476-A483 VanDerWaalsContact CE1-CB 3.48Å; Y476-A483 HydrophobicContact CG-CB 4.43Å; Y476-A483 PolarHBondContact O-N 3.25Å; Y476-E484 HydrophobicContact CD1-CG 3.98Å; Y476-E484 WeakPolarHBondContact CD1-OE1 3.45Å; Y476-E484 PolarHBondContact N-O 3.09Å; Y476-E484 PolarHBondContact O-N 3.37Å; Y476-F498 AromaticContact CD1-CZ 3.92Å; Y476-F498 HydrophobicContact CD1-CZ 3.92Å; Y476-F498 HydrophobicContact CD2-CE1 4.35Å; Y476-F498 HydrophobicContact CD2-CZ 4.48Å; Y476-F498 HydrophobicContact CG-CE1 4.04Å; Y476-F498 AromaticContact CG-CZ 3.8Å; Y476-F498 HydrophobicContact CG-CZ 3.8Å; Y476-L502 HydrophobicContact CD1-CD2 4.38Å; Y476-L502 HydrophobicContact CD2-CD1 3.81Å; Y476-L502 HydrophobicContact CE1-CD1 4.22Å; Y476-L502 HydrophobicContact CE1-CD2 3.71Å; Y476-L502 HydrophobicContact CE2-CD1 3.44Å; Y476-L502 VanDerWaalsContact CE2-CD1 3.44Å; Y476-L502 HydrophobicContact CE2-CD2 4.36Å; Y476-L502 HydrophobicContact CG-CD1 4.38Å
477	Y	97.3	Very high	94.3	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.3	177.2	-62.2	-101.1	0	0	0	111.3	F405 L409 T415 V417 E466 H475 K481 L482	F405-Y477 HydrophobicContact CE1-CE1 4.41Å; F405-Y477 HydrophobicContact CZ-CE1 4.37Å; F405-Y477 HydrophobicContact CZ-CE2 4.2Å; F405-Y477 AromaticContact CZ-CZ 3.82Å; L409-Y477 HydrophobicContact CD1-CD1 3.69Å; L409-Y477 HydrophobicContact CD1-CD2 4.06Å; L409-Y477 HydrophobicContact CD1-CE1 3.94Å; L409-Y477 HydrophobicContact CD1-CE2 4.26Å; L409-Y477 HydrophobicContact CD1-CG 3.77Å; T415-Y477 PolarHBondContact N-O 2.85Å; T415-Y477 PolarHBondContact O-N 2.78Å; V417-Y477 HydrophobicContact CB-CD2 4.25Å; V417-Y477 HydrophobicContact CB-CE2 3.85Å; V417-Y477 HydrophobicContact CG2-CD2 3.46Å; V417-Y477 VanDerWaalsContact CG2-CD2 3.46Å; V417-Y477 HydrophobicContact CG2-CE2 3.44Å; V417-Y477 VanDerWaalsContact CG2-CE2 3.44Å; E466-Y477 PolarHBondContact OE2-OH 2.87Å; H475-Y477 HydrophobicContact CB-CD2 4.24Å; H475-Y477 HydrophobicContact CB-CE2 3.43Å; H475-Y477 VanDerWaalsContact CB-CE2 3.43Å; H475-Y477 PolarHBondContact ND1-OH 2.96Å; Y477-K481 CarbonylContact C-O 3.56Å; Y477-K481 VanDerWaalsContact CA-O 3.27Å; Y477-K481 WeakPolarHBondContact CA-O 3.31Å; Y477-L482 HydrophobicContact CD1-CB 4.1Å; Y477-L482 HydrophobicContact CD1-CD1 4.45Å; Y477-L482 HydrophobicContact CE1-CB 3.85Å; Y477-L482 HydrophobicContact CE1-CD1 4.02Å; Y477-L482 HydrophobicContact CE2-CD1 4.24Å
478	H	95.7	Very high	94.2	Very high	52 Å²	52	60.1 Å²	60.1	24%	0.241	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	110.7	170.7	-168.6	64.6	0	0	0	109.9	K413 H414 Y476 G480 K481 A483	K413-H478 WeakPolarHBondContact O-CA 3.5Å; K413-H478 PolarHBondContact O-ND1 3.48Å; H414-H478 AromaticContact CE1-CE1 3.8Å; H414-H478 AromaticContact CE1-ND1 3.6Å; H414-H478 AromaticContact ND1-ND1 3.59Å; Y476-H478 PolarHBondContact OH-ND1 3.23Å; H478-G480 VanDerWaalsContact C-N 3.32Å; H478-G480 PolarHBondContact O-N 2.96Å; H478-K481 PolarHBondContact N-O 2.94Å; H478-K481 PolarHBondContact O-N 3.47Å; H478-A483 HydrophobicContact CB-CB 4.22Å
479	Y	94.4	Very high	94	Very high	117 Å²	117	62.9 Å²	62.9	46%	0.459	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	51.5	-174.2	-67.1	-70.1	0	0	0	113.4	K412 K413 K481	K412-Y479 WeakPolarHBondContact O-CA 3.41Å; K412-Y479 PolarHBondContact O-N 2.94Å; K413-Y479 HydrophobicContact CB-CE1 3.88Å; K413-Y479 HydrophobicContact CB-CE2 4.14Å; K413-Y479 HydrophobicContact CD-CE2 4.1Å; K413-Y479 WeakPolarHBondContact CD-OH 3.42Å; K413-Y479 HydrophobicContact CG-CD2 4.27Å; K413-Y479 HydrophobicContact CG-CE1 4.22Å; K413-Y479 HydrophobicContact CG-CE2 3.55Å; K413-Y479 PolarHBondContact O-N 3.26Å; Y479-K481 PolarHBondContact O-N 3.01Å
480	G	91.8	Very high	94.1	Very high	28 Å²	28	59.9 Å²	59.9	29%	0.289	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-3.9	179.2	0	0	0	0	0	116.1	L409 H478	L409-G480 PolarHBondContact O-N 3.27Å; L409-G480 VanDerWaalsContact O-N 3.07Å; H478-G480 VanDerWaalsContact C-N 3.32Å; H478-G480 PolarHBondContact O-N 2.96Å
481	K	94.4	Very high	94.2	Very high	167 Å²	167	59.5 Å²	59.5	73%	0.726	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.5	173.4	-60.9	-171.8	-177.4	-176.3	0	110	Y477 H478 Y479 A483	Y477-K481 CarbonylContact C-O 3.56Å; Y477-K481 VanDerWaalsContact CA-O 3.27Å; Y477-K481 WeakPolarHBondContact CA-O 3.31Å; H478-K481 PolarHBondContact N-O 2.94Å; H478-K481 PolarHBondContact O-N 3.47Å; Y479-K481 PolarHBondContact O-N 3.01Å; K481-A483 PolarHBondContact O-N 3.36Å; K481-A483 VanDerWaalsContact O-N 3.14Å
482	L	94.3	Very high	94.1	Very high	82 Å²	82	60.7 Å²	60.7	43%	0.429	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	117.7	172.4	-178.6	64.4	0	0	0	108.9	H475 Y477	H475-L482 HydrophobicContact CB-CD1 3.62Å; Y477-L482 HydrophobicContact CD1-CB 4.1Å; Y477-L482 HydrophobicContact CD1-CD1 4.45Å; Y477-L482 HydrophobicContact CE1-CB 3.85Å; Y477-L482 HydrophobicContact CE1-CD1 4.02Å; Y477-L482 HydrophobicContact CE2-CD1 4.24Å
483	A	93.1	Very high	93.9	Very high	57 Å²	57	66.8 Å²	66.8	47%	0.471	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-53.1	-179	0	0	0	0	0	110.5	Y476 H478 K481	Y476-A483 HydrophobicContact CD1-CB 3.57Å; Y476-A483 HydrophobicContact CE1-CB 3.48Å; Y476-A483 VanDerWaalsContact CE1-CB 3.48Å; Y476-A483 HydrophobicContact CG-CB 4.43Å; Y476-A483 PolarHBondContact O-N 3.25Å; H478-A483 HydrophobicContact CB-CB 4.22Å; K481-A483 PolarHBondContact O-N 3.36Å; K481-A483 VanDerWaalsContact O-N 3.14Å
484	E	92.5	Very high	93.8	Very high	93 Å²	93	66 Å²	66	44%	0.435	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	166.5	175.9	79.6	-157.5	130.5	0	0	112.4	Y476 F498	Y476-E484 HydrophobicContact CD1-CG 3.98Å; Y476-E484 WeakPolarHBondContact CD1-OE1 3.45Å; Y476-E484 PolarHBondContact N-O 3.09Å; Y476-E484 PolarHBondContact O-N 3.37Å; E484-F498 WeakPolarHBondContact OE1-CE2 2.73Å
485	K	93.4	Very high	93.7	Very high	96 Å²	96	65.9 Å²	65.9	42%	0.417	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.2	169.1	-60.6	-167.9	176.7	-165.4	0	109.2	H475 E487	H475-K485 WeakPolarHBondContact NE2-CE 3.27Å; K485-E487 HydrophobicContact CB-CG 4.46Å
486	Y	93.6	Very high	93.6	Very high	7 Å²	7	66.3 Å²	66.3	3%	0.027	33%	0.334	C	S	.	.			trans	-87	112.1	176.5	174.9	-87	0	0	0	109.5	L416 F474 S488 D489 G494 F495 F498	L416-Y486 HydrophobicContact CD1-CG 4.22Å; F474-Y486 HydrophobicContact CB-CD1 3.87Å; F474-Y486 HydrophobicContact CB-CG 4.21Å; F474-Y486 HydrophobicContact CD2-CD1 4.34Å; F474-Y486 HydrophobicContact CG-CD1 4.13Å; F474-Y486 PolarHBondContact O-N 3.42Å; Y486-S488 WeakPolarHBondContact OH-CB 3.5Å; Y486-D489 PolarHBondContact OH-O 3.01Å; Y486-G494 PolarHBondContact OH-O 3.25Å; Y486-G494 VanDerWaalsContact OH-O 3.05Å; Y486-F495 HydrophobicContact CD1-CD1 4.15Å; Y486-F495 AromaticContact CD1-CE1 3.86Å; Y486-F495 HydrophobicContact CD1-CE1 3.86Å; Y486-F495 AromaticContact CE1-CD1 3.46Å; Y486-F495 HydrophobicContact CE1-CD1 3.46Å; Y486-F495 VanDerWaalsContact CE1-CD1 3.46Å; Y486-F495 AromaticContact CE1-CE1 3.3Å; Y486-F495 HydrophobicContact CE1-CE1 3.3Å; Y486-F495 HydrophobicContact CE1-CZ 4.43Å; Y486-F495 HydrophobicContact CE2-CD1 4.32Å; Y486-F495 AromaticContact CZ-CD1 3.53Å; Y486-F495 AromaticContact CZ-CE1 3.9Å; Y486-F495 PolarHBondContact OH-N 3.39Å; Y486-F498 HydrophobicContact CD2-CB 4.12Å; Y486-F498 AromaticContact CD2-CD1 3.75Å; Y486-F498 HydrophobicContact CD2-CD1 3.75Å; Y486-F498 AromaticContact CD2-CD2 3.93Å; Y486-F498 HydrophobicContact CD2-CD2 3.93Å; Y486-F498 HydrophobicContact CD2-CE1 4.1Å; Y486-F498 HydrophobicContact CD2-CE2 4.27Å; Y486-F498 AromaticContact CD2-CG 3.65Å; Y486-F498 HydrophobicContact CD2-CG 3.65Å; Y486-F498 HydrophobicContact CD2-CZ 4.35Å; Y486-F498 HydrophobicContact CE2-CB 3.57Å; Y486-F498 HydrophobicContact CE2-CD1 4.03Å; Y486-F498 HydrophobicContact CE2-CD2 4.14Å; Y486-F498 AromaticContact CE2-CG 3.65Å; Y486-F498 HydrophobicContact CE2-CG 3.65Å
487	E	90	Very high	93.4	Very high	144 Å²	144	68.5 Å²	68.5	67%	0.673	35%	0.352	S	S	*	.			trans	-115.3	7.6	-175.8	-60.1	-65.8	166.2	0	0	112.7	K485	K485-E487 HydrophobicContact CB-CG 4.46Å
488	S	89.1	Confident	93.3	Very high	65 Å²	65	70 Å²	70	46%	0.455	36%	0.359	S	S	.	.	S	Bend	trans	-76.6	178	177.8	-164.7	0	0	0	0	111.8	Y486 R490	Y486-S488 WeakPolarHBondContact OH-CB 3.5Å; S488-R490 PolarHBondContact O-N 2.98Å
489	D	89.3	Confident	93.2	Very high	78 Å²	78	67.7 Å²	67.7	42%	0.417	35%	0.348	S	S	.	.			trans	-54.6	131.6	177.1	69.1	-59.1	0	0	0	112.7	Y486 T491 G494	Y486-D489 PolarHBondContact OH-O 3.01Å; D489-T491 HydrophobicContact CB-CG2 4.4Å; D489-T491 PolarHBondContact O-N 3.29Å; D489-T491 PolarHBondContact OD2-OG1 2.93Å; D489-G494 WeakPolarHBondContact OD1-CA 3.24Å; D489-G494 WeakPolarHBondContact OD2-CA 3.21Å; D489-G494 PolarHBondContact OD2-N 3.36Å
490	R	93.9	Very high	93.1	Very high	101 Å²	101	69 Å²	69	38%	0.381	35%	0.352	S	S	.	.			trans	-85.8	45	-174.2	-59.2	169.1	-176.7	-178	-3.5	111.6	P472 F474 S488 F495	P472-R490 PolarHBondContact O-NH2 3.48Å; F474-R490 HydrophobicContact CD2-CG 4.5Å; F474-R490 HydrophobicContact CE2-CG 3.86Å; S488-R490 PolarHBondContact O-N 2.98Å; R490-F495 HydrophobicContact CB-CZ 3.98Å; R490-F495 HydrophobicContact CG-CZ 4.42Å
491	T	94.3	Very high	93.1	Very high	53 Å²	53	71.8 Å²	71.8	33%	0.325	36%	0.364	S	S	.	.	S	Bend	trans	-110.1	163.4	178.8	79.2	0	0	0	0	110.1	D489 L493 G494 F495	D489-T491 HydrophobicContact CB-CG2 4.4Å; D489-T491 PolarHBondContact O-N 3.29Å; D489-T491 PolarHBondContact OD2-OG1 2.93Å; T491-L493 VanDerWaalsContact C-N 3.26Å; T491-L493 PolarHBondContact O-N 3.2Å; T491-L493 PolarHBondContact OG1-N 3.12Å; T491-G494 PolarHBondContact O-N 3.38Å; T491-G494 VanDerWaalsContact O-N 3.15Å; T491-G494 PolarHBondContact OG1-N 2.81Å; T491-G494 VanDerWaalsContact OG1-N 3.12Å; T491-F495 WeakPolarHBondContact O-CD2 3.24Å; T491-F495 WeakPolarHBondContact O-CG 3.4Å; T491-F495 PolarHBondContact O-N 3.25Å
492	E	92.2	Very high	92.9	Very high	88 Å²	88	65.1 Å²	65.1	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-58.9	-40.7	177.6	-175.3	-173	153.8	0	0	111.5	H433 A436 T496	H433-E492 HydrophobicContact CB-CB 4.3Å; A436-E492 HydrophobicContact CB-CG 4Å; E492-T496 WeakPolarHBondContact O-CB 3.36Å; E492-T496 PolarHBondContact O-N 3.04Å; E492-T496 PolarHBondContact O-OG1 3.25Å
493	L	92.7	Very high	92.5	Very high	130 Å²	130	66.7 Å²	66.7	68%	0.681	34%	0.336	S	S	*	.	H	α-helix	trans	-63.2	-42.5	175.6	-74.8	176.9	0	0	0	111.9	T491 S497	T491-L493 VanDerWaalsContact C-N 3.26Å; T491-L493 PolarHBondContact O-N 3.2Å; T491-L493 PolarHBondContact OG1-N 3.12Å; L493-S497 VanDerWaalsContact O-CB 3.23Å; L493-S497 WeakPolarHBondContact O-CB 3.46Å; L493-S497 PolarHBondContact O-N 2.93Å; L493-S497 PolarHBondContact O-OG 3.4Å
494	G	94.2	Very high	92.3	Very high	5 Å²	5	69 Å²	69	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-49.9	178	0	0	0	0	0	112.1	Y486 D489 T491 F498	Y486-G494 PolarHBondContact OH-O 3.25Å; Y486-G494 VanDerWaalsContact OH-O 3.05Å; D489-G494 WeakPolarHBondContact OD1-CA 3.24Å; D489-G494 WeakPolarHBondContact OD2-CA 3.21Å; D489-G494 PolarHBondContact OD2-N 3.36Å; T491-G494 PolarHBondContact O-N 3.38Å; T491-G494 VanDerWaalsContact O-N 3.15Å; T491-G494 PolarHBondContact OG1-N 2.81Å; T491-G494 VanDerWaalsContact OG1-N 3.12Å; G494-F498 PolarHBondContact O-N 3.06Å
495	F	96.8	Very high	92	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.4	-44.5	179.6	-60.7	-54.6	0	0	0	111.3	L416 H433 F434 T437 F474 Y486 R490 T491 S497 F498 I499	L416-F495 HydrophobicContact CD2-CD1 3.85Å; H433-F495 HydrophobicContact CB-CD2 4.44Å; H433-F495 HydrophobicContact CB-CE2 4.19Å; F434-F495 HydrophobicContact CB-CE2 4.13Å; F434-F495 HydrophobicContact CD2-CD1 4.26Å; F434-F495 HydrophobicContact CD2-CD2 4.04Å; F434-F495 HydrophobicContact CD2-CE1 4.1Å; F434-F495 AromaticContact CD2-CE2 3.9Å; F434-F495 HydrophobicContact CD2-CE2 3.9Å; F434-F495 HydrophobicContact CD2-CG 4.24Å; F434-F495 AromaticContact CD2-CZ 3.93Å; F434-F495 HydrophobicContact CD2-CZ 3.93Å; F434-F495 HydrophobicContact CE2-CE1 4.48Å; T437-F495 HydrophobicContact CG2-CB 3.71Å; T437-F495 WeakPolarHBondContact OG1-CB 3.5Å; F474-F495 AromaticContact CD1-CE1 3.87Å; F474-F495 HydrophobicContact CD1-CE1 3.87Å; F474-F495 HydrophobicContact CD1-CZ 4.24Å; F474-F495 HydrophobicContact CD2-CE1 4.49Å; F474-F495 AromaticContact CE1-CE1 3.68Å; F474-F495 HydrophobicContact CE1-CE1 3.68Å; F474-F495 AromaticContact CE1-CZ 3.56Å; F474-F495 HydrophobicContact CE1-CZ 3.56Å; F474-F495 HydrophobicContact CE2-CE1 4.34Å; F474-F495 HydrophobicContact CE2-CZ 4.18Å; F474-F495 HydrophobicContact CG-CE1 4.28Å; F474-F495 AromaticContact CZ-CE1 3.94Å; F474-F495 HydrophobicContact CZ-CE1 3.94Å; F474-F495 AromaticContact CZ-CZ 3.54Å; F474-F495 HydrophobicContact CZ-CZ 3.54Å; Y486-F495 HydrophobicContact CD1-CD1 4.15Å; Y486-F495 AromaticContact CD1-CE1 3.86Å; Y486-F495 HydrophobicContact CD1-CE1 3.86Å; Y486-F495 AromaticContact CE1-CD1 3.46Å; Y486-F495 HydrophobicContact CE1-CD1 3.46Å; Y486-F495 VanDerWaalsContact CE1-CD1 3.46Å; Y486-F495 AromaticContact CE1-CE1 3.3Å; Y486-F495 HydrophobicContact CE1-CE1 3.3Å; Y486-F495 HydrophobicContact CE1-CZ 4.43Å; Y486-F495 HydrophobicContact CE2-CD1 4.32Å; Y486-F495 AromaticContact CZ-CD1 3.53Å; Y486-F495 AromaticContact CZ-CE1 3.9Å; Y486-F495 PolarHBondContact OH-N 3.39Å; R490-F495 HydrophobicContact CB-CZ 3.98Å; R490-F495 HydrophobicContact CG-CZ 4.42Å; T491-F495 WeakPolarHBondContact O-CD2 3.24Å; T491-F495 WeakPolarHBondContact O-CG 3.4Å; T491-F495 PolarHBondContact O-N 3.25Å; F495-S497 PolarHBondContact O-N 3.1Å; F495-F498 PolarHBondContact O-N 3.39Å; F495-I499 WeakPolarHBondContact O-CG1 3.48Å; F495-I499 PolarHBondContact O-N 3.3Å
496	T	94.8	Very high	91.7	Very high	10 Å²	10	62.1 Å²	62.1	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-44.9	179.9	-64.3	0	0	0	0	112.1	F441 E492 F498 I499 R500	F441-T496 HydrophobicContact CE2-CG2 4.05Å; F441-T496 HydrophobicContact CZ-CG2 4.06Å; E492-T496 WeakPolarHBondContact O-CB 3.36Å; E492-T496 PolarHBondContact O-N 3.04Å; E492-T496 PolarHBondContact O-OG1 3.25Å; T496-F498 VanDerWaalsContact C-N 3.34Å; T496-F498 PolarHBondContact O-N 3.11Å; T496-I499 PolarHBondContact O-N 2.84Å; T496-R500 HydrophobicContact CG2-CG 4.49Å; T496-R500 WeakPolarHBondContact O-CG 3.37Å; T496-R500 PolarHBondContact O-N 2.82Å
497	S	94.3	Very high	91.2	Very high	62 Å²	62	66.8 Å²	66.8	43%	0.434	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-44	178.9	-60.2	0	0	0	0	111.2	L493 F495 I499 R500 T501	L493-S497 VanDerWaalsContact O-CB 3.23Å; L493-S497 WeakPolarHBondContact O-CB 3.46Å; L493-S497 PolarHBondContact O-N 2.93Å; L493-S497 PolarHBondContact O-OG 3.4Å; F495-S497 PolarHBondContact O-N 3.1Å; S497-I499 PolarHBondContact O-N 2.86Å; S497-R500 PolarHBondContact O-N 2.84Å; S497-T501 PolarHBondContact O-N 3.02Å; S497-T501 PolarHBondContact O-OG1 3.15Å
498	F	94.8	Very high	91	Very high	36 Å²	36	66.4 Å²	66.4	16%	0.158	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-48.7	176.6	174.4	-103.7	0	0	0	112.5	L416 Y476 E484 Y486 G494 F495 T496 R500 T501 L502	L416-F498 HydrophobicContact CD1-CE1 4.19Å; L416-F498 HydrophobicContact CD2-CD1 4.43Å; Y476-F498 AromaticContact CD1-CZ 3.92Å; Y476-F498 HydrophobicContact CD1-CZ 3.92Å; Y476-F498 HydrophobicContact CD2-CE1 4.35Å; Y476-F498 HydrophobicContact CD2-CZ 4.48Å; Y476-F498 HydrophobicContact CG-CE1 4.04Å; Y476-F498 AromaticContact CG-CZ 3.8Å; Y476-F498 HydrophobicContact CG-CZ 3.8Å; E484-F498 WeakPolarHBondContact OE1-CE2 2.73Å; Y486-F498 HydrophobicContact CD2-CB 4.12Å; Y486-F498 AromaticContact CD2-CD1 3.75Å; Y486-F498 HydrophobicContact CD2-CD1 3.75Å; Y486-F498 AromaticContact CD2-CD2 3.93Å; Y486-F498 HydrophobicContact CD2-CD2 3.93Å; Y486-F498 HydrophobicContact CD2-CE1 4.1Å; Y486-F498 HydrophobicContact CD2-CE2 4.27Å; Y486-F498 AromaticContact CD2-CG 3.65Å; Y486-F498 HydrophobicContact CD2-CG 3.65Å; Y486-F498 HydrophobicContact CD2-CZ 4.35Å; Y486-F498 HydrophobicContact CE2-CB 3.57Å; Y486-F498 HydrophobicContact CE2-CD1 4.03Å; Y486-F498 HydrophobicContact CE2-CD2 4.14Å; Y486-F498 AromaticContact CE2-CG 3.65Å; Y486-F498 HydrophobicContact CE2-CG 3.65Å; G494-F498 PolarHBondContact O-N 3.06Å; F495-F498 PolarHBondContact O-N 3.39Å; T496-F498 VanDerWaalsContact C-N 3.34Å; T496-F498 PolarHBondContact O-N 3.11Å; F498-R500 VanDerWaalsContact C-N 3.29Å; F498-R500 PolarHBondContact O-N 3.02Å; F498-T501 WeakPolarHBondContact O-CB 3.49Å; F498-T501 PolarHBondContact O-N 3.29Å; F498-L502 HydrophobicContact CD1-CD1 4.29Å; F498-L502 HydrophobicContact CE1-CD1 3.77Å; F498-L502 HydrophobicContact CE1-CG 4.43Å; F498-L502 HydrophobicContact CZ-CD1 4.09Å; F498-L502 HydrophobicContact CZ-CD2 4.37Å; F498-L502 HydrophobicContact CZ-CG 4.42Å; F498-L502 WeakPolarHBondContact O-CG 3.48Å; F498-L502 PolarHBondContact O-N 2.97Å; F498-L502 VanDerWaalsContact O-N 3.15Å
499	I	93.3	Very high	90.8	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-38.2	178.1	-66.7	176.5	0	0	0	111.3	T437 F441 I447 F495 T496 S497 L502 R503	T437-I499 HydrophobicContact CG2-CD1 3.67Å; F441-I499 HydrophobicContact CD1-CG2 3.77Å; F441-I499 HydrophobicContact CD2-CB 4.38Å; F441-I499 HydrophobicContact CD2-CD1 3.9Å; F441-I499 HydrophobicContact CD2-CG2 3.89Å; F441-I499 HydrophobicContact CE1-CB 4.38Å; F441-I499 HydrophobicContact CE1-CG2 3.53Å; F441-I499 HydrophobicContact CE2-CB 3.86Å; F441-I499 HydrophobicContact CE2-CD1 4.01Å; F441-I499 HydrophobicContact CE2-CG2 3.69Å; F441-I499 HydrophobicContact CG-CG2 3.95Å; F441-I499 HydrophobicContact CZ-CB 3.84Å; F441-I499 HydrophobicContact CZ-CG2 3.49Å; F441-I499 VanDerWaalsContact CZ-CG2 3.49Å; I447-I499 HydrophobicContact CD1-CG2 3.58Å; I447-I499 HydrophobicContact CG2-CD1 4.47Å; I447-I499 HydrophobicContact CG2-CG2 3.75Å; F495-I499 WeakPolarHBondContact O-CG1 3.48Å; F495-I499 PolarHBondContact O-N 3.3Å; T496-I499 PolarHBondContact O-N 2.84Å; S497-I499 PolarHBondContact O-N 2.86Å; I499-L502 WeakPolarHBondContact O-CB 3.28Å; I499-L502 PolarHBondContact O-N 2.81Å; I499-R503 PolarHBondContact O-N 3.44Å
500	R	92.7	Very high	90.6	Very high	143 Å²	143	72.1 Å²	72.1	54%	0.54	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-42.7	174.5	-75.4	177	-179.5	159.6	2.1	112.2	F441 T496 S497 F498 L502 R503 E504	F441-R500 HydrophobicContact CZ-CG 4.12Å; T496-R500 HydrophobicContact CG2-CG 4.49Å; T496-R500 WeakPolarHBondContact O-CG 3.37Å; T496-R500 PolarHBondContact O-N 2.82Å; S497-R500 PolarHBondContact O-N 2.84Å; F498-R500 VanDerWaalsContact C-N 3.29Å; F498-R500 PolarHBondContact O-N 3.02Å; R500-L502 VanDerWaalsContact C-N 3.26Å; R500-L502 PolarHBondContact O-N 3.41Å; R500-R503 WeakPolarHBondContact O-CB 3.17Å; R500-R503 PolarHBondContact O-N 3.32Å; R500-R503 VanDerWaalsContact O-N 3.07Å; R500-E504 PolarHBondContact O-N 2.86Å
501	T	91.9	Very high	90.1	Very high	88 Å²	88	72 Å²	72	54%	0.54	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-37.1	176.4	-54.3	0	0	0	0	112	S497 F498 E504 G505	S497-T501 PolarHBondContact O-N 3.02Å; S497-T501 PolarHBondContact O-OG1 3.15Å; F498-T501 WeakPolarHBondContact O-CB 3.49Å; F498-T501 PolarHBondContact O-N 3.29Å; T501-E504 PolarHBondContact O-N 2.57Å; T501-G505 PolarHBondContact O-N 3.33Å
502	L	90	Very high	89.4	Confident	27 Å²	27	75.1 Å²	75.1	14%	0.141	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-42.8	174	-62.2	177	0	0	0	111.9	H414 Y476 F498 I499 R500 G505 D506	H414-L502 HydrophobicContact CB-CD1 4.25Å; Y476-L502 HydrophobicContact CD1-CD2 4.38Å; Y476-L502 HydrophobicContact CD2-CD1 3.81Å; Y476-L502 HydrophobicContact CE1-CD1 4.22Å; Y476-L502 HydrophobicContact CE1-CD2 3.71Å; Y476-L502 HydrophobicContact CE2-CD1 3.44Å; Y476-L502 VanDerWaalsContact CE2-CD1 3.44Å; Y476-L502 HydrophobicContact CE2-CD2 4.36Å; Y476-L502 HydrophobicContact CG-CD1 4.38Å; F498-L502 HydrophobicContact CD1-CD1 4.29Å; F498-L502 HydrophobicContact CE1-CD1 3.77Å; F498-L502 HydrophobicContact CE1-CG 4.43Å; F498-L502 HydrophobicContact CZ-CD1 4.09Å; F498-L502 HydrophobicContact CZ-CD2 4.37Å; F498-L502 HydrophobicContact CZ-CG 4.42Å; F498-L502 WeakPolarHBondContact O-CG 3.48Å; F498-L502 PolarHBondContact O-N 2.97Å; F498-L502 VanDerWaalsContact O-N 3.15Å; I499-L502 WeakPolarHBondContact O-CB 3.28Å; I499-L502 PolarHBondContact O-N 2.81Å; R500-L502 VanDerWaalsContact C-N 3.26Å; R500-L502 PolarHBondContact O-N 3.41Å; L502-G505 PolarHBondContact O-N 3.03Å; L502-D506 PolarHBondContact O-N 3.33Å
503	R	85.6	Confident	88.9	Confident	114 Å²	114	79.3 Å²	79.3	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.2	-82.2	-176.9	154.7	-146.8	11.7	113	D444 I447 I499 R500 G505 D506 L507	D444-R503 VanDerWaalsContact CB-NH2 3.34Å; D444-R503 IonicContact OD2-CZ 2.78Å; D444-R503 IonicContact OD2-NE 3.62Å; D444-R503 PolarHBondContact OD2-NE 2.97Å; D444-R503 IonicContact OD2-NH2 3.06Å; D444-R503 PolarHBondContact OD2-NH2 3.29Å; I447-R503 HydrophobicContact CD1-CG 3.67Å; I499-R503 PolarHBondContact O-N 3.44Å; R500-R503 WeakPolarHBondContact O-CB 3.17Å; R500-R503 PolarHBondContact O-N 3.32Å; R500-R503 VanDerWaalsContact O-N 3.07Å; R503-G505 VanDerWaalsContact C-N 3.34Å; R503-D506 VanDerWaalsContact O-CB 3.28Å; R503-D506 WeakPolarHBondContact O-CB 3.38Å; R503-D506 PolarHBondContact O-N 3.1Å; R503-L507 PolarHBondContact O-N 3.45Å
504	E	88.1	Confident	88.1	Confident	105 Å²	105	81.5 Å²	81.5	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-41.3	177.6	-70.9	173.9	-171.7	0	0	111.6	R500 T501 D506 L507 K508	R500-E504 PolarHBondContact O-N 2.86Å; T501-E504 PolarHBondContact O-N 2.57Å; E504-D506 VanDerWaalsContact C-N 3.26Å; E504-D506 PolarHBondContact O-N 3.26Å; E504-L507 PolarHBondContact O-N 3.09Å; E504-K508 WeakPolarHBondContact O-CG 3.42Å; E504-K508 PolarHBondContact O-N 2.96Å
505	G	86.3	Confident	87.5	Confident	30 Å²	30	88.4 Å²	88.4	31%	0.309	40%	0.404	S	S	.	.	H	α-helix	trans	-61.3	-36.4	174.4	0	0	0	0	0	112.7	T501 L502 R503 R509	T501-G505 PolarHBondContact O-N 3.33Å; L502-G505 PolarHBondContact O-N 3.03Å; R503-G505 VanDerWaalsContact C-N 3.34Å; G505-R509 VanDerWaalsContact O-CG 3.29Å; G505-R509 WeakPolarHBondContact O-CG 3.33Å; G505-R509 PolarHBondContact O-N 3.41Å; G505-R509 VanDerWaalsContact O-N 3.12Å
506	D	86.9	Confident	86.6	Confident	15 Å²	15	94.4 Å²	94.4	8%	0.08	43%	0.432	C	S	.	.	H	α-helix	trans	-64	-45.6	174	-94.8	-3.7	0	0	0	113.4	K413 H414 L502 R503 E504 R509 L510	K413-D506 VanDerWaalsContact CD-OD2 3.28Å; K413-D506 WeakPolarHBondContact CD-OD2 3.48Å; K413-D506 VanDerWaalsContact CE-CG 3.44Å; K413-D506 WeakPolarHBondContact CE-OD1 3.45Å; K413-D506 WeakPolarHBondContact CE-OD2 3.42Å; K413-D506 IonicContact NZ-OD1 2.65Å; K413-D506 PolarHBondContact NZ-OD1 3.26Å; K413-D506 IonicContact NZ-OD2 2.96Å; K413-D506 PolarHBondContact NZ-OD2 3.07Å; H414-D506 IonicContact CD2-OD2 2.61Å; H414-D506 IonicContact CE1-OD1 2.6Å; H414-D506 IonicContact CE1-OD2 2.84Å; H414-D506 IonicContact NE2-OD1 3.97Å; H414-D506 IonicContact NE2-OD2 2.87Å; H414-D506 PolarHBondContact NE2-OD2 3.28Å; L502-D506 PolarHBondContact O-N 3.33Å; R503-D506 VanDerWaalsContact O-CB 3.28Å; R503-D506 WeakPolarHBondContact O-CB 3.38Å; R503-D506 PolarHBondContact O-N 3.1Å; E504-D506 VanDerWaalsContact C-N 3.26Å; E504-D506 PolarHBondContact O-N 3.26Å; D506-R509 PolarHBondContact O-N 2.98Å; D506-L510 WeakPolarHBondContact O-CG 3.15Å; D506-L510 PolarHBondContact O-N 3.42Å; D506-L510 VanDerWaalsContact O-N 3.08Å
507	L	84.6	Confident	85.1	Confident	105 Å²	105	103.5 Å²	103.5	55%	0.55	48%	0.479	S	S	.	.	H	α-helix	trans	-62.3	-47.4	178.2	-72.4	168.2	0	0	0	111	R503 E504 R509 L510 E511	R503-L507 PolarHBondContact O-N 3.45Å; E504-L507 PolarHBondContact O-N 3.09Å; L507-R509 VanDerWaalsContact C-N 3.3Å; L507-R509 PolarHBondContact O-N 3.19Å; L507-L510 WeakPolarHBondContact O-CB 3.22Å; L507-L510 PolarHBondContact O-N 3.27Å; L507-E511 WeakPolarHBondContact O-CG 3.42Å; L507-E511 PolarHBondContact O-N 3.21Å
508	K	85.8	Confident	84.7	Confident	137 Å²	137	105.6 Å²	105.6	60%	0.596	48%	0.482	S	S	*	.	H	α-helix	trans	-59.4	-39.2	177.3	-71.2	175.4	-180	173.3	0	112.6	E504 L510 E511 K512	E504-K508 WeakPolarHBondContact O-CG 3.42Å; E504-K508 PolarHBondContact O-N 2.96Å; K508-L510 VanDerWaalsContact C-N 3.34Å; K508-E511 PolarHBondContact O-N 3.48Å; K508-K512 WeakPolarHBondContact O-CB 3.44Å; K508-K512 PolarHBondContact O-N 3.11Å
509	R	85.4	Confident	84.1	Confident	166 Å²	166	109.3 Å²	109.3	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-68	-33.4	176.5	-75	173.4	-176.6	-178.6	2.8	112.5	G505 D506 L507 R513	G505-R509 VanDerWaalsContact O-CG 3.29Å; G505-R509 WeakPolarHBondContact O-CG 3.33Å; G505-R509 PolarHBondContact O-N 3.41Å; G505-R509 VanDerWaalsContact O-N 3.12Å; D506-R509 PolarHBondContact O-N 2.98Å; L507-R509 VanDerWaalsContact C-N 3.3Å; L507-R509 PolarHBondContact O-N 3.19Å; R509-R513 WeakPolarHBondContact O-CG 3.49Å; R509-R513 PolarHBondContact O-N 2.87Å
510	L	83.6	Confident	83.6	Confident	96 Å²	96	115.2 Å²	115.2	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-70.9	-43.4	175	-73.3	167.8	0	0	0	111.5	D506 L507 K508 R513 R514	D506-L510 WeakPolarHBondContact O-CG 3.15Å; D506-L510 PolarHBondContact O-N 3.42Å; D506-L510 VanDerWaalsContact O-N 3.08Å; L507-L510 WeakPolarHBondContact O-CB 3.22Å; L507-L510 PolarHBondContact O-N 3.27Å; K508-L510 VanDerWaalsContact C-N 3.34Å; L510-R513 PolarHBondContact O-N 3.02Å; L510-R514 PolarHBondContact O-N 2.88Å
511	E	83.4	Confident	83.1	Confident	98 Å²	98	113.5 Å²	113.5	46%	0.458	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-49.2	175.7	-72.2	171	164	0	0	111.1	L507 K508 R513 R514 E515	L507-E511 WeakPolarHBondContact O-CG 3.42Å; L507-E511 PolarHBondContact O-N 3.21Å; K508-E511 PolarHBondContact O-N 3.48Å; E511-R513 VanDerWaalsContact C-N 3.33Å; E511-R513 PolarHBondContact O-N 3.33Å; E511-R514 WeakPolarHBondContact O-CB 3.09Å; E511-R514 PolarHBondContact O-N 3.5Å; E511-R514 WeakPolarHBondContact O-CA 3.49Å; E511-E515 WeakPolarHBondContact O-CG 3.29Å; E511-E515 PolarHBondContact O-N 3.49Å
512	K	80.5	Confident	82.5	Confident	120 Å²	120	115.1 Å²	115.1	52%	0.522	52%	0.524	S	S	.	.	H	α-helix	trans	-59	-42.4	177.2	-165	-173.4	-174.3	-128.1	0	112.7	K508 R514 E515 E516	K508-K512 WeakPolarHBondContact O-CB 3.44Å; K508-K512 PolarHBondContact O-N 3.11Å; K512-R514 VanDerWaalsContact C-N 3.28Å; K512-R514 PolarHBondContact O-N 3Å; K512-E515 PolarHBondContact O-N 2.74Å; K512-E516 PolarHBondContact NZ-OE1 2.82Å; K512-E516 PolarHBondContact O-N 3.25Å; K512-E516 WeakPolarHBondContact O-CG 3.44Å; K512-E516 VanDerWaalsContact O-CG 3.31Å; K512-E516 WeakPolarHBondContact O-CB 3.28Å; K512-E516 IonicContact NZ-OE1 3.29Å; K512-E516 WeakPolarHBondContact CE-OE1 3.29Å
513	R	80.5	Confident	82	Confident	175 Å²	175	121 Å²	121	66%	0.66	55%	0.549	S	S	*	.	H	α-helix	trans	-65.4	-31.8	175.7	-81.6	-176.3	179.9	-162.9	-0.5	112.9	R509 L510 E511 E515 L517	R509-R513 WeakPolarHBondContact O-CG 3.49Å; R509-R513 PolarHBondContact O-N 2.87Å; L510-R513 PolarHBondContact O-N 3.02Å; E511-R513 VanDerWaalsContact C-N 3.33Å; E511-R513 PolarHBondContact O-N 3.33Å; R513-E515 VanDerWaalsContact C-N 3.34Å; R513-L517 WeakPolarHBondContact O-CB 3.48Å; R513-L517 WeakPolarHBondContact O-CD1 3.31Å; R513-L517 VanDerWaalsContact O-CG 3.25Å; R513-L517 WeakPolarHBondContact O-CG 3.19Å; R513-L517 PolarHBondContact O-N 3.34Å
514	R	77.6	Confident	81.8	Confident	176 Å²	176	121.5 Å²	121.5	66%	0.664	56%	0.558	S	S	*	*	H	α-helix	trans	-73.4	-28.2	175.4	-170.7	-175.6	67.6	-170.2	-2.7	111.9	L510 E511 K512	L510-R514 PolarHBondContact O-N 2.88Å; E511-R514 WeakPolarHBondContact O-CB 3.09Å; E511-R514 PolarHBondContact O-N 3.5Å; E511-R514 WeakPolarHBondContact O-CA 3.49Å; K512-R514 VanDerWaalsContact C-N 3.28Å; K512-R514 PolarHBondContact O-N 3Å
515	E	80.9	Confident	81.3	Confident	150 Å²	150	122.8 Å²	122.8	70%	0.701	56%	0.563	S	S	*	*	H	α-helix	trans	-79.4	-27.4	173.5	-68.8	172.1	174.8	0	0	112.7	E511 K512 R513	E511-E515 WeakPolarHBondContact O-CG 3.29Å; E511-E515 PolarHBondContact O-N 3.49Å; K512-E515 PolarHBondContact O-N 2.74Å; R513-E515 VanDerWaalsContact C-N 3.34Å
516	E	76.7	Confident	80.9	Confident	126 Å²	126	130.5 Å²	130.5	59%	0.589	58%	0.584	S	S	*	*	H	α-helix	trans	-83.8	-13.7	177.4	-72.2	171.8	178	0	0	113.6	K512	K512-E516 PolarHBondContact NZ-OE1 2.82Å; K512-E516 PolarHBondContact O-N 3.25Å; K512-E516 WeakPolarHBondContact O-CG 3.44Å; K512-E516 VanDerWaalsContact O-CG 3.31Å; K512-E516 WeakPolarHBondContact O-CB 3.28Å; K512-E516 IonicContact NZ-OE1 3.29Å; K512-E516 WeakPolarHBondContact CE-OE1 3.29Å
517	L	64.5	Low	80.3	Confident	202 Å²	202	141 Å²	141	100%	1.058	63%	0.63	S	S	*	*			trans	-101.6	0	176.4	-75.3	169.1	0	0	0	110.5	R513	R513-L517 WeakPolarHBondContact O-CB 3.48Å; R513-L517 WeakPolarHBondContact O-CD1 3.31Å; R513-L517 VanDerWaalsContact O-CG 3.25Å; R513-L517 WeakPolarHBondContact O-CG 3.19Å; R513-L517 PolarHBondContact O-N 3.34Å

Retrieved 517 of 517 residues in 159.1 ms (Link to these results)

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