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4-trimethylaminobutyraldehyde dehydrogenase

Converts gamma-trimethylaminobutyraldehyde into gamma-butyrobetaine with high efficiency (in vitro). Can catalyze the irreversible oxidation of a broad range of aldehydes to the corresponding acids in an NAD-dependent reaction, but with low efficiency. Catalyzes the oxidation of aldehydes arising from biogenic amines and polyamines.

AlphaFold DB , UniProt , Accession A0A096NWR4, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 518 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	29.3	Very low	225 Å²	225	144.2 Å²	144.2	100%	1.108	84%	0.835	S	S	*	*				0	123.3	0	-150.3	169.7	-178.1	0	0	106.2
2	F	27.1	Very low	28.9	Very low	175 Å²	175	142.4 Å²	142.4	77%	0.768	83%	0.832	S	S	*	*			trans	77	87	-172.4	-62.1	-82.4	0	0	0	116.4
3	L	27.3	Very low	28.9	Very low	143 Å²	143	142.6 Å²	142.6	75%	0.749	83%	0.826	S	S	*	*				82.6	99.9	87.2	-94.3	127.9	0	0	0	110.6
4	R	34.5	Very low	29	Very low	247 Å²	247	140.4 Å²	140.4	93%	0.932	82%	0.815	S	S	*	*				46.1	80.4	58.6	-94.2	-166.7	-178.3	-170.5	1.9	113.6
5	A	28.3	Very low	28.7	Very low	102 Å²	102	147.2 Å²	147.2	84%	0.843	82%	0.822	S	S	*	*			trans	-165.2	123.8	153.8	0	0	0	0	0	109.5
6	G	27.9	Very low	28.5	Very low	80 Å²	80	144.4 Å²	144.4	83%	0.825	82%	0.816	S	S	*	*			trans	154.3	30.2	175.2	0	0	0	0	0	117
7	L	29.2	Very low	28.9	Very low	181 Å²	181	142.9 Å²	142.9	95%	0.948	80%	0.804	S	S	*	*			trans	-136.3	77	168.7	-101.6	139.9	0	0	0	107.5
8	A	29.6	Very low	28.9	Very low	103 Å²	103	145.3 Å²	145.3	85%	0.851	81%	0.808	S	S	*	*			trans	-156.4	89.9	172.9	0	0	0	0	0	109.7
9	A	27.6	Very low	29.4	Very low	105 Å²	105	141.6 Å²	141.6	87%	0.868	79%	0.791	S	S	*	*			trans	-179.5	61.1	148.4	0	0	0	0	0	109.8
10	L	27.7	Very low	30	Very low	160 Å²	160	138.6 Å²	138.6	84%	0.838	78%	0.78	S	S	*	*			trans	-87.5	124	156.1	-84.5	161.5	0	0	0	107
11	S	30.2	Very low	30.7	Very low	65 Å²	65	136.3 Å²	136.3	46%	0.455	77%	0.771	S	S	.	*			trans	-50.7	146.2	180	167.3	0	0	0	0	112.3	L13 V14	S11-L13 PolarHBondContact O-N 3.27Å; S11-L13 PolarHBondContact OG-N 3.43Å; S11-V14 PolarHBondContact O-N 3.48Å
12	P	24.3	Very low	31.6	Very low	123 Å²	123	127.9 Å²	127.9	80%	0.799	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-60.3	-9	175.7	-18.4	30.8	0	0	0	114.6	V14	P12-V14 VanDerWaalsContact C-N 3.28Å; P12-V14 PolarHBondContact O-N 3.23Å
13	L	29.4	Very low	32.4	Very low	145 Å²	145	124.5 Å²	124.5	76%	0.759	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-73.6	-7.8	-179.8	-95.9	101.4	0	0	0	115.4	S11	S11-L13 PolarHBondContact O-N 3.27Å; S11-L13 PolarHBondContact OG-N 3.43Å
14	V	29.8	Very low	33.5	Very low	111 Å²	111	120.7 Å²	120.7	67%	0.673	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-90.6	1	-177.3	-172.3	0	0	0	0	112.6	S11 P12	S11-V14 PolarHBondContact O-N 3.48Å; P12-V14 VanDerWaalsContact C-N 3.28Å; P12-V14 PolarHBondContact O-N 3.23Å
15	R	24.3	Very low	35.3	Very low	243 Å²	243	110.8 Å²	110.8	92%	0.917	69%	0.69	S	S	*	*	S	Bend	trans	-103.7	8.4	-171.6	-108.6	-177.9	-178.1	-168.2	0.1	117
16	S	26.1	Very low	37.7	Very low	103 Å²	103	108.3 Å²	108.3	72%	0.72	67%	0.667	S	S	*	*	S	Bend	trans	-118.7	16.1	-176.8	69.8	0	0	0	0	116.1
17	L	34.5	Very low	40.2	Very low	119 Å²	119	104.9 Å²	104.9	62%	0.623	63%	0.63	S	S	*	*			trans	-117.1	75.1	174.4	-70.5	165.7	0	0	0	109	P19	L17-P19 WeakPolarHBondContact O-CD 3.22Å
18	Q	30.1	Very low	42.4	Very low	185 Å²	185	96.8 Å²	96.8	86%	0.864	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-85	116.4	156.8	-76.3	-165.7	-33.5	0	0	107	S20	Q18-S20 PolarHBondContact O-N 2.85Å
19	P	38.1	Very low	44.8	Very low	76 Å²	76	95.7 Å²	95.7	49%	0.494	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-57.5	135.8	163.7	24	-29.3	0	0	0	107.3	L17	L17-P19 WeakPolarHBondContact O-CD 3.22Å
20	S	40.9	Very low	47.5	Very low	80 Å²	80	91.9 Å²	91.9	56%	0.559	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-52.1	131.1	167.2	-77.3	0	0	0	0	107.4	Q18 V22	Q18-S20 PolarHBondContact O-N 2.85Å; S20-V22 PolarHBondContact O-N 2.72Å
21	P	45.3	Very low	50.3	Low	91 Å²	91	88.5 Å²	88.5	59%	0.591	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-56	130.4	-177.6	21.5	-30.6	0	0	0	108.4	A23 A24	P21-A23 PolarHBondContact O-N 2.71Å; P21-A24 HydrophobicContact CG-CB 4.45Å; P21-A24 WeakPolarHBondContact O-CB 3.11Å; P21-A24 PolarHBondContact O-N 3.3Å
22	V	51.3	Low	53.1	Low	48 Å²	48	86.6 Å²	86.6	29%	0.291	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-44.2	-35.6	178.3	-177	0	0	0	0	111.6	S20 A24 M25 E114	S20-V22 PolarHBondContact O-N 2.72Å; V22-A24 PolarHBondContact O-N 2.91Å; V22-M25 PolarHBondContact O-N 3.28Å; V22-E114 HydrophobicContact CG2-CB 3.42Å; V22-E114 VanDerWaalsContact CG2-CB 3.42Å; V22-E114 HydrophobicContact CG2-CG 3.74Å
23	A	43.2	Very low	56	Low	104 Å²	104	86.2 Å²	86.2	86%	0.86	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-57.2	-13.3	175.3	0	0	0	0	0	115.8	P21	P21-A23 PolarHBondContact O-N 2.71Å
24	A	51.7	Low	59	Low	64 Å²	64	83.4 Å²	83.4	53%	0.529	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-102.4	-9.9	176.9	0	0	0	0	0	113.8	P21 V22	P21-A24 HydrophobicContact CG-CB 4.45Å; P21-A24 WeakPolarHBondContact O-CB 3.11Å; P21-A24 PolarHBondContact O-N 3.3Å; V22-A24 PolarHBondContact O-N 2.91Å
25	M	72.5	Confident	62.1	Low	38 Å²	38	79.8 Å²	79.8	19%	0.187	47%	0.47	C	S	.	.			trans	-81.7	123.1	176.8	-67	-163.6	178.7	0	0	109.9	V22 F30 T117 V118 I121	V22-M25 PolarHBondContact O-N 3.28Å; M25-F30 HydrophobicContact CE-CD2 3.84Å; M25-F30 HydrophobicContact CE-CE2 3.39Å; M25-F30 HydrophobicContact CE-CZ 4.48Å; M25-F30 HydrophobicContact CG-CD2 4.24Å; M25-F30 HydrophobicContact SD-CD2 3.78Å; M25-F30 HydrophobicContact SD-CE2 3.75Å; M25-T117 HydrophobicContact CB-CG2 3.78Å; M25-T117 HydrophobicContact SD-CG2 4.28Å; M25-V118 HydrophobicContact CE-CG2 4.24Å; M25-V118 HydrophobicContact SD-CG2 3.92Å; M25-I121 HydrophobicContact CB-CD1 4.16Å
26	S	79.1	Confident	65.5	Low	50 Å²	50	68.6 Å²	68.6	35%	0.35	43%	0.428	S	S	.	.			trans	-141.2	156.7	176.7	71.1	0	0	0	0	110.3	G28 T29	S26-G28 PolarHBondContact O-N 2.88Å; S26-T29 PolarHBondContact N-OG1 2.94Å; S26-T29 PolarHBondContact O-N 3.32Å; S26-T29 PolarHBondContact O-OG1 2.86Å; S26-T29 WeakPolarHBondContact OG-CG2 3.47Å; S26-T29 PolarHBondContact OG-OG1 3.38Å
27	T	79.6	Confident	69	Low	9 Å²	9	63.8 Å²	63.8	6%	0.055	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	125.4	176.3	-68.1	0	0	0	0	110.2	E57 A59 T60 D343 L345 L391	T27-E57 WeakPolarHBondContact CA-OE1 3.46Å; T27-E57 WeakPolarHBondContact CG2-OE1 3.14Å; T27-A59 HydrophobicContact CG2-CB 3.89Å; T27-T60 HydrophobicContact CG2-CG2 3.5Å; T27-T60 VanDerWaalsContact CG2-CG2 3.5Å; T27-D343 PolarHBondContact OG1-OD1 2.69Å; T27-L345 WeakPolarHBondContact OG1-CD1 2.95Å; T27-L391 HydrophobicContact CG2-CD2 3.87Å
28	G	75.8	Confident	72	Confident	11 Å²	11	58.5 Å²	58.5	11%	0.113	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	11	-175.5	0	0	0	0	0	115.5	S26 E57 R62	S26-G28 PolarHBondContact O-N 2.88Å; G28-E57 WeakPolarHBondContact CA-OE2 3.48Å; G28-E57 VanDerWaalsContact N-CD 3.3Å; G28-E57 PolarHBondContact N-OE1 3.21Å; G28-E57 PolarHBondContact N-OE2 3.24Å; G28-R62 PolarHBondContact O-NH1 2.8Å; G28-R62 PolarHBondContact O-NH2 2.78Å
29	T	79.5	Confident	75.2	Confident	79 Å²	79	52.2 Å²	52.2	49%	0.485	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-14.7	174	63.2	0	0	0	0	114.4	S26	S26-T29 PolarHBondContact N-OG1 2.94Å; S26-T29 PolarHBondContact O-N 3.32Å; S26-T29 PolarHBondContact O-OG1 2.86Å; S26-T29 WeakPolarHBondContact OG-CG2 3.47Å; S26-T29 PolarHBondContact OG-OG1 3.38Å
30	F	83.9	Confident	78	Confident	25 Å²	25	50 Å²	50	11%	0.11	33%	0.326	C	S	.	.			trans	-77.4	129.1	-174.5	-175.2	-106.9	0	0	0	113	M25 V32 I64 I121 V211	M25-F30 HydrophobicContact CE-CD2 3.84Å; M25-F30 HydrophobicContact CE-CE2 3.39Å; M25-F30 HydrophobicContact CE-CZ 4.48Å; M25-F30 HydrophobicContact CG-CD2 4.24Å; M25-F30 HydrophobicContact SD-CD2 3.78Å; M25-F30 HydrophobicContact SD-CE2 3.75Å; F30-V32 HydrophobicContact CD1-CG2 4.32Å; F30-V32 HydrophobicContact CE1-CG2 3.37Å; F30-V32 HydrophobicContact CE2-CG2 4.44Å; F30-V32 HydrophobicContact CZ-CG2 3.46Å; F30-V32 VanDerWaalsContact CZ-CG2 3.46Å; F30-I64 HydrophobicContact CD1-CB 4.28Å; F30-I64 HydrophobicContact CD1-CD1 4.47Å; F30-I64 HydrophobicContact CD1-CG2 4.33Å; F30-I64 HydrophobicContact CE1-CD1 4.44Å; F30-I121 HydrophobicContact CB-CD1 4.01Å; F30-I121 HydrophobicContact CB-CG2 3.86Å; F30-I121 HydrophobicContact CD1-CG2 3.65Å; F30-I121 HydrophobicContact CE1-CG2 4.5Å; F30-I121 HydrophobicContact CG-CD1 4.23Å; F30-I121 HydrophobicContact CG-CG2 4.01Å; F30-V211 HydrophobicContact CZ-CG1 4.29Å
31	V	87.4	Confident	80.6	Confident	90 Å²	90	47.3 Å²	47.3	55%	0.545	31%	0.31	S	S	.	.			trans	-140.5	130.8	172.9	-179.7	0	0	0	0	108.4	I64	V31-I64 WeakPolarHBondContact CA-O 3.45Å
32	V	88	Confident	83.1	Confident	25 Å²	25	45.2 Å²	45.2	15%	0.152	30%	0.301	C	S	.	.			trans	-94.8	116.8	175.7	-168.5	0	0	0	0	109.6	F30 L36 I64 A65 V211	F30-V32 HydrophobicContact CD1-CG2 4.32Å; F30-V32 HydrophobicContact CE1-CG2 3.37Å; F30-V32 HydrophobicContact CE2-CG2 4.44Å; F30-V32 HydrophobicContact CZ-CG2 3.46Å; F30-V32 VanDerWaalsContact CZ-CG2 3.46Å; V32-L36 HydrophobicContact CB-CD2 4.41Å; V32-L36 HydrophobicContact CG1-CD2 3.59Å; V32-I64 PolarHBondContact N-O 3.17Å; V32-A65 HydrophobicContact CB-CB 4.23Å; V32-V211 HydrophobicContact CG2-CG1 4.07Å; V32-V211 HydrophobicContact CG2-CG2 3.94Å
33	S	86.3	Confident	85.3	Confident	114 Å²	114	45.3 Å²	45.3	80%	0.797	30%	0.296	S	S	*	.			trans	-104	-13.8	179.1	56.8	0	0	0	0	113.8
34	Q	91.2	Very high	87.9	Confident	87 Å²	87	42 Å²	42	41%	0.407	27%	0.265	S	S	.	.	S	Bend	trans	-82.3	156	179.6	-63.7	-172.2	9.5	0	0	111.4	L36	Q34-L36 PolarHBondContact O-N 3.4Å
35	P	95.2	Very high	90.1	Very high	34 Å²	34	44.6 Å²	44.6	22%	0.221	27%	0.266	C	S	.	.			trans	-56.6	141	175	-18.9	27.5	0	0	0	111.6	R43 V44 E45	P35-R43 HydrophobicContact CB-CB 4.39Å; P35-V44 WeakPolarHBondContact CB-O 3.41Å; P35-E45 HydrophobicContact CB-CG 4.47Å; P35-E45 WeakPolarHBondContact CB-OE1 3.47Å; P35-E45 HydrophobicContact CG-CG 4.3Å; P35-E45 WeakPolarHBondContact CG-OE1 3.4Å
36	L	97	Very high	91.2	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.042	26%	0.263	C	S	.	.	S	Bend	trans	-96.9	0.1	-177.9	-63.1	-168.9	0	0	0	114.1	V32 Q34 A65 F67 P210 L214 Q234	V32-L36 HydrophobicContact CB-CD2 4.41Å; V32-L36 HydrophobicContact CG1-CD2 3.59Å; Q34-L36 PolarHBondContact O-N 3.4Å; L36-A65 HydrophobicContact CD1-CB 3.95Å; L36-F67 HydrophobicContact CB-CB 4.3Å; L36-F67 HydrophobicContact CD1-CB 3.72Å; L36-F67 HydrophobicContact CD1-CD1 3.73Å; L36-F67 HydrophobicContact CD1-CG 3.77Å; L36-F67 HydrophobicContact CG-CB 4.18Å; L36-P210 HydrophobicContact CD1-CB 4.02Å; L36-P210 HydrophobicContact CD1-CG 3.82Å; L36-L214 HydrophobicContact CB-CD1 4.02Å; L36-L214 HydrophobicContact CD2-CD1 3.57Å; L36-L214 HydrophobicContact CG-CD1 4.39Å; L36-L214 WeakPolarHBondContact O-CD1 3.43Å; L36-L214 WeakPolarHBondContact O-CD2 3.42Å; L36-Q234 HydrophobicContact CB-CG 3.82Å; L36-Q234 WeakPolarHBondContact O-CG 3.4Å; L36-Q234 PolarHBondContact O-NE2 3.11Å
37	N	98	Very high	92.1	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	146.6	168.2	-66	-76.4	0	0	0	109.8	R43 V44 S70 V233 Q234	N37-R43 CarbonylContact O-C 3.44Å; N37-R43 VanDerWaalsContact O-CA 3.23Å; N37-R43 WeakPolarHBondContact O-CA 3.49Å; N37-V44 HydrophobicContact CB-CG2 4.08Å; N37-V44 WeakPolarHBondContact CB-O 3.48Å; N37-V44 PolarHBondContact O-N 3.09Å; N37-S70 PolarHBondContact OD1-OG 3.05Å; N37-V233 VanDerWaalsContact OD1-CA 3.3Å; N37-V233 WeakPolarHBondContact OD1-CA 3.41Å; N37-Q234 PolarHBondContact OD1-N 3.14Å
38	Y	98.6	Very high	93	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.027	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	114.6	175.4	-167.4	-87.4	0	0	0	109.7	G41 A42 R43 A217 E218 T221 N231 V232	Y38-G41 WeakPolarHBondContact OH-CA 3.26Å; Y38-G41 PolarHBondContact OH-O 3.46Å; Y38-A42 WeakPolarHBondContact CA-O 3.32Å; Y38-R43 HydrophobicContact CD2-CG 4Å; Y38-A217 HydrophobicContact CD1-CB 3.51Å; Y38-A217 HydrophobicContact CD2-CB 4.22Å; Y38-A217 HydrophobicContact CE1-CB 3.84Å; Y38-A217 HydrophobicContact CG-CB 3.7Å; Y38-E218 HydrophobicContact CD2-CG 4.26Å; Y38-E218 HydrophobicContact CE2-CG 3.66Å; Y38-T221 VanDerWaalsContact OH-CB 3.25Å; Y38-T221 WeakPolarHBondContact OH-CB 3.3Å; Y38-T221 PolarHBondContact OH-OG1 3.45Å; Y38-N231 CarbonylContact O-C 3.55Å; Y38-N231 VanDerWaalsContact O-CA 3.29Å; Y38-N231 WeakPolarHBondContact O-CA 3.33Å; Y38-N231 WeakPolarHBondContact O-CB 3.4Å; Y38-V232 PolarHBondContact N-O 3.19Å; Y38-V232 PolarHBondContact O-N 3.44Å
39	R	97.4	Very high	93.9	Very high	54 Å²	54	48.3 Å²	48.3	20%	0.204	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132.1	-175.1	178	175.1	62.3	72.4	5.3	110.4	G41 A42 V44 E74 L77 A78 N81 N231	R39-G41 VanDerWaalsContact C-N 3.28Å; R39-G41 PolarHBondContact O-N 3.13Å; R39-A42 PolarHBondContact N-O 3.42Å; R39-V44 HydrophobicContact CB-CG2 4.01Å; R39-E74 WeakPolarHBondContact CD-OE1 3.47Å; R39-E74 IonicContact CZ-OE1 2.84Å; R39-E74 IonicContact NE-OE1 3.35Å; R39-E74 PolarHBondContact NE-OE1 2.97Å; R39-E74 IonicContact NE-OE2 3.97Å; R39-L77 VanDerWaalsContact CD-C 3.5Å; R39-A78 VanDerWaalsContact CD-CA 3.49Å; R39-A78 VanDerWaalsContact CD-N 3.34Å; R39-A78 HydrophobicContact CG-CB 4.45Å; R39-N81 HydrophobicContact CG-CB 4.35Å; R39-N81 WeakPolarHBondContact CG-ND2 3.39Å; R39-N81 PolarHBondContact NH1-ND2 3.25Å; R39-N231 WeakPolarHBondContact CA-OD1 3.11Å
40	G	95.9	Very high	94.6	Very high	29 Å²	29	46.9 Å²	46.9	30%	0.299	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	27.8	177	0	0	0	0	0	114.6	N81 N231	G40-N81 WeakPolarHBondContact CA-ND2 3.39Å; G40-N81 PolarHBondContact N-ND2 2.85Å; G40-N231 PolarHBondContact N-OD1 3.31Å; G40-N231 VanDerWaalsContact N-OD1 3.09Å
41	G	96.8	Very high	95.2	Very high	23 Å²	23	47.2 Å²	47.2	24%	0.237	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	11.6	177.3	0	0	0	0	0	115.3	Y38 R39	Y38-G41 WeakPolarHBondContact OH-CA 3.26Å; Y38-G41 PolarHBondContact OH-O 3.46Å; R39-G41 VanDerWaalsContact C-N 3.28Å; R39-G41 PolarHBondContact O-N 3.13Å
42	A	97.6	Very high	95.6	Very high	48 Å²	48	47.4 Å²	47.4	40%	0.397	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.1	176.8	0	0	0	0	0	112.4	Y38 R39	Y38-A42 WeakPolarHBondContact CA-O 3.32Å; R39-A42 PolarHBondContact N-O 3.42Å
43	R	97.5	Very high	96	Very high	49 Å²	49	49.9 Å²	49.9	19%	0.185	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	136.4	166.2	-67.3	-179.4	-174.8	-110.4	-0.3	110.1	P35 N37 Y38 E218	P35-R43 HydrophobicContact CB-CB 4.39Å; N37-R43 CarbonylContact O-C 3.44Å; N37-R43 VanDerWaalsContact O-CA 3.23Å; N37-R43 WeakPolarHBondContact O-CA 3.49Å; Y38-R43 HydrophobicContact CD2-CG 4Å; R43-E218 IonicContact CZ-OE1 3.29Å; R43-E218 VanDerWaalsContact CZ-OE1 3.29Å; R43-E218 IonicContact CZ-OE2 3.72Å; R43-E218 IonicContact NE-OE1 2.67Å; R43-E218 PolarHBondContact NE-OE1 3.24Å; R43-E218 IonicContact NE-OE2 3.72Å; R43-E218 IonicContact NH2-OE1 3.08Å; R43-E218 PolarHBondContact NH2-OE1 3.2Å; R43-E218 VanDerWaalsContact NH2-OE1 3.08Å; R43-E218 IonicContact NH2-OE2 2.67Å; R43-E218 PolarHBondContact NH2-OE2 3.23Å
44	V	97.6	Very high	96.5	Very high	34 Å²	34	49.8 Å²	49.8	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.9	-177.4	-62	0	0	0	0	111.5	P35 N37 R39	P35-V44 WeakPolarHBondContact CB-O 3.41Å; N37-V44 HydrophobicContact CB-CG2 4.08Å; N37-V44 WeakPolarHBondContact CB-O 3.48Å; N37-V44 PolarHBondContact O-N 3.09Å; R39-V44 HydrophobicContact CB-CG2 4.01Å
45	E	96.9	Very high	96.7	Very high	119 Å²	119	45.7 Å²	45.7	56%	0.556	28%	0.28	S	S	*	.			trans	-71.7	143.6	161.1	-68.8	-58.1	152.3	0	0	109.4	P35	P35-E45 HydrophobicContact CB-CG 4.47Å; P35-E45 WeakPolarHBondContact CB-OE1 3.47Å; P35-E45 HydrophobicContact CG-CG 4.3Å; P35-E45 WeakPolarHBondContact CG-OE1 3.4Å
46	P	96.8	Very high	96.8	Very high	19 Å²	19	47.4 Å²	47.4	12%	0.123	29%	0.285	C	S	.	.			trans	-68.7	140.4	-179.1	30	-32.9	0	0	0	110.7	D48 T68 E74	P46-D48 WeakPolarHBondContact CB-O 3.49Å; P46-D48 PolarHBondContact O-N 3.08Å; P46-T68 HydrophobicContact CG-CG2 3.54Å; P46-E74 HydrophobicContact CB-CB 4.19Å; P46-E74 HydrophobicContact CB-CG 3.85Å
47	A	96.8	Very high	96.9	Very high	65 Å²	65	47.1 Å²	47.1	54%	0.537	28%	0.283	S	S	.	.	S	Bend	trans	-66.4	-22.1	-179.4	0	0	0	0	0	113.8	E74 L77	A47-E74 WeakPolarHBondContact CB-OE2 3.43Å; A47-E74 PolarHBondContact N-OE2 3.35Å; A47-L77 HydrophobicContact CB-CD1 3.61Å
48	D	98.1	Very high	96.9	Very high	38 Å²	38	47 Å²	47	20%	0.203	28%	0.282	C	S	.	.	S	Bend	trans	-151.1	165.8	172.4	70	-27.9	0	0	0	110.8	P46 G71 E72 K73 E74	P46-D48 WeakPolarHBondContact CB-O 3.49Å; P46-D48 PolarHBondContact O-N 3.08Å; D48-G71 VanDerWaalsContact CG-CA 3.49Å; D48-G71 PolarHBondContact O-N 3.21Å; D48-G71 VanDerWaalsContact O-N 3.11Å; D48-G71 VanDerWaalsContact OD1-C 3.25Å; D48-G71 VanDerWaalsContact OD1-CA 3.24Å; D48-G71 WeakPolarHBondContact OD1-CA 3.26Å; D48-G71 PolarHBondContact OD1-N 2.86Å; D48-G71 WeakPolarHBondContact OD2-CA 3.3Å; D48-E72 PolarHBondContact OD2-N 3.31Å; D48-K73 HydrophobicContact CB-CB 4.19Å; D48-K73 HydrophobicContact CB-CD 4.22Å; D48-K73 HydrophobicContact CB-CG 4.45Å; D48-K73 VanDerWaalsContact CG-CB 3.47Å; D48-K73 PolarHBondContact OD1-N 2.92Å; D48-K73 WeakPolarHBondContact OD2-CB 3.19Å; D48-K73 WeakPolarHBondContact OD2-CG 3.31Å; D48-K73 PolarHBondContact OD2-N 3.26Å; D48-E74 WeakPolarHBondContact OD1-CB 3.33Å; D48-E74 PolarHBondContact OD1-N 3.08Å
49	A	95.6	Very high	96.9	Very high	65 Å²	65	46.7 Å²	46.7	54%	0.537	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.7	-174.1	0	0	0	0	0	111.7	T68 C69	A49-T68 HydrophobicContact CB-CG2 3.38Å; A49-C69 CarbonylContact C-O 3.56Å; A49-C69 VanDerWaalsContact CA-O 3.29Å; A49-C69 WeakPolarHBondContact CA-O 3.34Å
50	S	93.8	Very high	96.9	Very high	49 Å²	49	44.5 Å²	44.5	34%	0.343	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-2.4	163.3	73.8	0	0	0	0	112.9	C69 S70	S50-C69 PolarHBondContact N-O 2.96Å; S50-C69 VanDerWaalsContact OG-CB 3.24Å; S50-C69 WeakPolarHBondContact OG-CB 3.45Å; S50-S70 PolarHBondContact OG-O 3.09Å
51	G	95.7	Very high	96.9	Very high	32 Å²	32	44.1 Å²	44.1	33%	0.33	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.2	-172.2	-176.1	0	0	0	0	0	112.4	C69	G51-C69 PolarHBondContact O-N 2.76Å
52	T	95.9	Very high	96.9	Very high	93 Å²	93	48.8 Å²	48.8	57%	0.571	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.7	176.7	-58.7	0	0	0	0	108.9	T66 F67	T52-T66 HydrophobicContact CG2-CG2 3.55Å; T52-F67 WeakPolarHBondContact CA-O 3.03Å
53	E	96.4	Very high	96.9	Very high	78 Å²	78	49.1 Å²	49.1	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.2	179.8	-72.8	-74.5	-173	0	0	110.8	T66 F67 C69 P207	E53-T66 WeakPolarHBondContact O-CA 3.19Å; E53-F67 HydrophobicContact CB-CE1 3.91Å; E53-F67 HydrophobicContact CB-CE2 3.93Å; E53-F67 HydrophobicContact CB-CZ 3.56Å; E53-F67 HydrophobicContact CG-CZ 4.49Å; E53-F67 PolarHBondContact N-O 3.09Å; E53-F67 PolarHBondContact O-N 3.48Å; E53-C69 WeakPolarHBondContact CG-SG 3.35Å; E53-P207 HydrophobicContact CG-CB 4.41Å
54	K	96.8	Very high	96.8	Very high	112 Å²	112	46.9 Å²	46.9	49%	0.487	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.3	174.3	-65.6	-177.8	-179.9	178.9	0	109.7	F56 V63 A65 T66	K54-F56 HydrophobicContact CB-CE2 3.78Å; K54-F56 HydrophobicContact CB-CZ 3.91Å; K54-F56 HydrophobicContact CD-CZ 4.36Å; K54-F56 WeakPolarHBondContact O-CE2 3.34Å; K54-V63 HydrophobicContact CB-CG1 4.32Å; K54-V63 HydrophobicContact CD-CG1 4.47Å; K54-V63 HydrophobicContact CD-CG2 4.09Å; K54-V63 HydrophobicContact CG-CG1 4.43Å; K54-A65 WeakPolarHBondContact CA-O 3.28Å; K54-T66 HydrophobicContact CG-CG2 4.39Å
55	A	96.1	Very high	96.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	139.6	165.9	0	0	0	0	0	109.3	V63 I64 A65 F67 P210	A55-V63 WeakPolarHBondContact O-CA 3.33Å; A55-I64 HydrophobicContact CB-CD1 4.33Å; A55-I64 HydrophobicContact CB-CG1 3.92Å; A55-I64 WeakPolarHBondContact O-CG1 3.04Å; A55-I64 PolarHBondContact O-N 3.03Å; A55-A65 HydrophobicContact CB-CB 4.33Å; A55-A65 PolarHBondContact N-O 3.29Å; A55-A65 PolarHBondContact O-N 3.07Å; A55-F67 HydrophobicContact CB-CE1 4.28Å; A55-P210 HydrophobicContact CB-CG 3.79Å
56	F	97.6	Very high	96.6	Very high	71 Å²	71	44 Å²	44	31%	0.311	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.7	-177.7	-62	-95	0	0	0	110.1	K54 P58 R62 V63 Y395	K54-F56 HydrophobicContact CB-CE2 3.78Å; K54-F56 HydrophobicContact CB-CZ 3.91Å; K54-F56 HydrophobicContact CD-CZ 4.36Å; K54-F56 WeakPolarHBondContact O-CE2 3.34Å; F56-P58 VanDerWaalsContact O-CD 3.3Å; F56-P58 WeakPolarHBondContact O-CD 2.97Å; F56-R62 CarbonylContact C-O 3.55Å; F56-R62 WeakPolarHBondContact CA-O 3.29Å; F56-V63 HydrophobicContact CD1-CG2 3.9Å; F56-V63 HydrophobicContact CE1-CG2 3.55Å; F56-V63 HydrophobicContact CZ-CG2 4.24Å; F56-Y395 HydrophobicContact CB-CE2 4.41Å
57	E	98.3	Very high	96.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	26%	0.257	C	S	.	.			trans	-80.9	112.6	160	174	176.1	-143.5	0	0	107.7	T27 G28 A59 T60 G61 R62 I64 I121	T27-E57 WeakPolarHBondContact CA-OE1 3.46Å; T27-E57 WeakPolarHBondContact CG2-OE1 3.14Å; G28-E57 WeakPolarHBondContact CA-OE2 3.48Å; G28-E57 VanDerWaalsContact N-CD 3.3Å; G28-E57 PolarHBondContact N-OE1 3.21Å; G28-E57 PolarHBondContact N-OE2 3.24Å; E57-A59 HydrophobicContact CG-CB 4.25Å; E57-A59 PolarHBondContact O-N 3.45Å; E57-A59 VanDerWaalsContact O-N 3.16Å; E57-T60 HydrophobicContact CG-CG2 4.29Å; E57-T60 PolarHBondContact O-N 2.97Å; E57-T60 WeakPolarHBondContact OE2-CB 3.13Å; E57-T60 VanDerWaalsContact OE2-CG2 3.23Å; E57-T60 WeakPolarHBondContact OE2-CG2 3.37Å; E57-T60 PolarHBondContact OE2-OG1 3.19Å; E57-G61 WeakPolarHBondContact O-CA 3.38Å; E57-G61 PolarHBondContact O-N 3.36Å; E57-R62 PolarHBondContact N-O 3.1Å; E57-I64 HydrophobicContact CB-CG2 3.55Å; E57-I121 HydrophobicContact CG-CG2 4.29Å
58	P	98.5	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.1	-174	-29.3	41.9	0	0	0	114	F56 T60 I121 N122 P353 L354 I355 G394 Y395	F56-P58 VanDerWaalsContact O-CD 3.3Å; F56-P58 WeakPolarHBondContact O-CD 2.97Å; P58-T60 VanDerWaalsContact C-N 3.34Å; P58-T60 PolarHBondContact O-N 2.87Å; P58-I121 VanDerWaalsContact CD-O 3.25Å; P58-I121 WeakPolarHBondContact CD-O 3.22Å; P58-N122 WeakPolarHBondContact CD-O 3.34Å; P58-P353 VanDerWaalsContact C-CG 3.41Å; P58-P353 HydrophobicContact CB-CB 4.02Å; P58-P353 HydrophobicContact CB-CG 3.48Å; P58-P353 VanDerWaalsContact CB-CG 3.48Å; P58-P353 WeakPolarHBondContact O-CB 3.41Å; P58-L354 WeakPolarHBondContact CB-O 3.2Å; P58-I355 HydrophobicContact CG-CD1 4.18Å; P58-I355 WeakPolarHBondContact CG-O 3.46Å; P58-G394 VanDerWaalsContact O-CA 3.27Å; P58-G394 WeakPolarHBondContact O-CA 3.39Å; P58-Y395 HydrophobicContact CB-CD2 3.84Å; P58-Y395 HydrophobicContact CB-CE2 4.26Å; P58-Y395 PolarHBondContact O-N 2.81Å
59	A	98.4	Very high	96.5	Very high	2 Å²	2	41 Å²	41	2%	0.017	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-25.8	-173.8	0	0	0	0	0	113	T27 E57 P344 P353 L391 G394 Y396	T27-A59 HydrophobicContact CG2-CB 3.89Å; E57-A59 HydrophobicContact CG-CB 4.25Å; E57-A59 PolarHBondContact O-N 3.45Å; E57-A59 VanDerWaalsContact O-N 3.16Å; A59-P344 HydrophobicContact CB-CG 4.1Å; A59-P353 HydrophobicContact CB-CG 4.12Å; A59-L391 HydrophobicContact CB-CD2 4.24Å; A59-L391 WeakPolarHBondContact O-CA 3.34Å; A59-L391 WeakPolarHBondContact O-CD2 3.38Å; A59-G394 WeakPolarHBondContact O-CA 3.21Å; A59-Y396 WeakPolarHBondContact CA-OH 3.44Å; A59-Y396 WeakPolarHBondContact CB-OH 3.13Å; A59-Y396 WeakPolarHBondContact O-CE2 3.12Å; A59-Y396 PolarHBondContact O-OH 3.34Å
60	T	97.8	Very high	96.7	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.043	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-14	-175	67.2	0	0	0	0	112.6	T27 E57 P58 R62 L391 D393	T27-T60 HydrophobicContact CG2-CG2 3.5Å; T27-T60 VanDerWaalsContact CG2-CG2 3.5Å; E57-T60 HydrophobicContact CG-CG2 4.29Å; E57-T60 PolarHBondContact O-N 2.97Å; E57-T60 WeakPolarHBondContact OE2-CB 3.13Å; E57-T60 VanDerWaalsContact OE2-CG2 3.23Å; E57-T60 WeakPolarHBondContact OE2-CG2 3.37Å; E57-T60 PolarHBondContact OE2-OG1 3.19Å; P58-T60 VanDerWaalsContact C-N 3.34Å; P58-T60 PolarHBondContact O-N 2.87Å; T60-R62 PolarHBondContact O-N 3.34Å; T60-R62 WeakPolarHBondContact OG1-CB 3.49Å; T60-R62 WeakPolarHBondContact OG1-CG 3.39Å; T60-R62 PolarHBondContact OG1-N 3.21Å; T60-L391 HydrophobicContact CG2-CD2 4.49Å; T60-D393 WeakPolarHBondContact O-CB 3.47Å
61	G	96.8	Very high	96.9	Very high	22 Å²	22	35.7 Å²	35.7	23%	0.227	20%	0.195	C	C	.	.			trans	73.4	5.8	-173.7	0	0	0	0	0	114.4	E57 Y395	E57-G61 WeakPolarHBondContact O-CA 3.38Å; E57-G61 PolarHBondContact O-N 3.36Å; G61-Y395 WeakPolarHBondContact CA-OH 3.26Å
62	R	96.7	Very high	97	Very high	120 Å²	120	40.2 Å²	40.2	45%	0.453	21%	0.208	S	C	.	.			trans	-76.3	150.6	-179.2	-69.2	176.9	54	164.2	-13.3	111.8	G28 F56 E57 T60 I64	G28-R62 PolarHBondContact O-NH1 2.8Å; G28-R62 PolarHBondContact O-NH2 2.78Å; F56-R62 CarbonylContact C-O 3.55Å; F56-R62 WeakPolarHBondContact CA-O 3.29Å; E57-R62 PolarHBondContact N-O 3.1Å; T60-R62 PolarHBondContact O-N 3.34Å; T60-R62 WeakPolarHBondContact OG1-CB 3.49Å; T60-R62 WeakPolarHBondContact OG1-CG 3.39Å; T60-R62 PolarHBondContact OG1-N 3.21Å; R62-I64 PolarHBondContact O-N 3.08Å
63	V	96.9	Very high	97.2	Very high	56 Å²	56	42.7 Å²	42.7	34%	0.339	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	123.7	170.3	179.8	0	0	0	0	108.9	K54 A55 F56 A65	K54-V63 HydrophobicContact CB-CG1 4.32Å; K54-V63 HydrophobicContact CD-CG1 4.47Å; K54-V63 HydrophobicContact CD-CG2 4.09Å; K54-V63 HydrophobicContact CG-CG1 4.43Å; A55-V63 WeakPolarHBondContact O-CA 3.33Å; F56-V63 HydrophobicContact CD1-CG2 3.9Å; F56-V63 HydrophobicContact CE1-CG2 3.55Å; F56-V63 HydrophobicContact CZ-CG2 4.24Å; V63-A65 WeakPolarHBondContact CG1-O 3.23Å
64	I	96	Very high	97.3	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-25.1	175.6	61.3	170.6	0	0	0	112.5	F30 V31 V32 A55 E57 R62 N122 V211	F30-I64 HydrophobicContact CD1-CB 4.28Å; F30-I64 HydrophobicContact CD1-CD1 4.47Å; F30-I64 HydrophobicContact CD1-CG2 4.33Å; F30-I64 HydrophobicContact CE1-CD1 4.44Å; V31-I64 WeakPolarHBondContact CA-O 3.45Å; V32-I64 PolarHBondContact N-O 3.17Å; A55-I64 HydrophobicContact CB-CD1 4.33Å; A55-I64 HydrophobicContact CB-CG1 3.92Å; A55-I64 WeakPolarHBondContact O-CG1 3.04Å; A55-I64 PolarHBondContact O-N 3.03Å; E57-I64 HydrophobicContact CB-CG2 3.55Å; R62-I64 PolarHBondContact O-N 3.08Å; I64-N122 HydrophobicContact CD1-CB 3.95Å; I64-N122 WeakPolarHBondContact CD1-ND2 3.31Å; I64-V211 HydrophobicContact CD1-CG2 4.44Å
65	A	94.4	Very high	97.4	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	144.3	176.3	0	0	0	0	0	110.7	V32 L36 K54 A55 V63	V32-A65 HydrophobicContact CB-CB 4.23Å; L36-A65 HydrophobicContact CD1-CB 3.95Å; K54-A65 WeakPolarHBondContact CA-O 3.28Å; A55-A65 HydrophobicContact CB-CB 4.33Å; A55-A65 PolarHBondContact N-O 3.29Å; A55-A65 PolarHBondContact O-N 3.07Å; V63-A65 WeakPolarHBondContact CG1-O 3.23Å
66	T	95.6	Very high	97.5	Very high	87 Å²	87	36.5 Å²	36.5	53%	0.534	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.4	161.8	-60.7	0	0	0	0	106.6	T52 E53 K54	T52-T66 HydrophobicContact CG2-CG2 3.55Å; E53-T66 WeakPolarHBondContact O-CA 3.19Å; K54-T66 HydrophobicContact CG-CG2 4.39Å
67	F	95.6	Very high	97.6	Very high	12 Å²	12	36 Å²	36	5%	0.053	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.9	-172.3	63.8	-85.8	0	0	0	112.1	L36 T52 E53 A55 P207 P210 Q234	L36-F67 HydrophobicContact CB-CB 4.3Å; L36-F67 HydrophobicContact CD1-CB 3.72Å; L36-F67 HydrophobicContact CD1-CD1 3.73Å; L36-F67 HydrophobicContact CD1-CG 3.77Å; L36-F67 HydrophobicContact CG-CB 4.18Å; T52-F67 WeakPolarHBondContact CA-O 3.03Å; E53-F67 HydrophobicContact CB-CE1 3.91Å; E53-F67 HydrophobicContact CB-CE2 3.93Å; E53-F67 HydrophobicContact CB-CZ 3.56Å; E53-F67 HydrophobicContact CG-CZ 4.49Å; E53-F67 PolarHBondContact N-O 3.09Å; E53-F67 PolarHBondContact O-N 3.48Å; A55-F67 HydrophobicContact CB-CE1 4.28Å; F67-P207 HydrophobicContact CZ-CB 4.04Å; F67-P210 HydrophobicContact CD1-CG 4.31Å; F67-P210 HydrophobicContact CE1-CB 4.24Å; F67-P210 HydrophobicContact CE1-CG 3.82Å; F67-P210 HydrophobicContact CZ-CB 4.21Å; F67-P210 HydrophobicContact CZ-CG 4.25Å; F67-Q234 HydrophobicContact CD2-CB 3.75Å; F67-Q234 HydrophobicContact CD2-CG 4.32Å; F67-Q234 HydrophobicContact CE2-CB 3.8Å
68	T	96.8	Very high	97.6	Very high	43 Å²	43	36 Å²	36	26%	0.264	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.4	175.9	-58.1	0	0	0	0	109.7	P46 A49	P46-T68 HydrophobicContact CG-CG2 3.54Å; A49-T68 HydrophobicContact CB-CG2 3.38Å
69	C	97.9	Very high	97.6	Very high	4 Å²	4	36 Å²	36	3%	0.027	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.1	173.8	-64	0	0	0	0	109.8	A49 S50 G51 E53 G71 Q234 G235	A49-C69 CarbonylContact C-O 3.56Å; A49-C69 VanDerWaalsContact CA-O 3.29Å; A49-C69 WeakPolarHBondContact CA-O 3.34Å; S50-C69 PolarHBondContact N-O 2.96Å; S50-C69 VanDerWaalsContact OG-CB 3.24Å; S50-C69 WeakPolarHBondContact OG-CB 3.45Å; G51-C69 PolarHBondContact O-N 2.76Å; E53-C69 WeakPolarHBondContact CG-SG 3.35Å; C69-G71 PolarHBondContact O-N 3.46Å; C69-Q234 CarbonylContact C-O 3.32Å; C69-Q234 WeakPolarHBondContact CA-O 3.38Å; C69-G235 VanDerWaalsContact SG-CA 3.55Å
70	S	98.6	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	123.8	178.1	-54.5	0	0	0	0	111.3	N37 S50 Q234 T239	N37-S70 PolarHBondContact OD1-OG 3.05Å; S50-S70 PolarHBondContact OG-O 3.09Å; S70-Q234 WeakPolarHBondContact CB-O 3.05Å; S70-Q234 PolarHBondContact N-O 2.9Å; S70-Q234 PolarHBondContact OG-N 3.15Å; S70-Q234 PolarHBondContact OG-O 3.08Å; S70-T239 PolarHBondContact O-OG1 3.48Å
71	G	98.6	Very high	97.7	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	21%	0.21	C	C	.	.			trans	-76.5	-172.1	168.2	0	0	0	0	0	113	D48 C69 K73 V75	D48-G71 VanDerWaalsContact CG-CA 3.49Å; D48-G71 PolarHBondContact O-N 3.21Å; D48-G71 VanDerWaalsContact O-N 3.11Å; D48-G71 VanDerWaalsContact OD1-C 3.25Å; D48-G71 VanDerWaalsContact OD1-CA 3.24Å; D48-G71 WeakPolarHBondContact OD1-CA 3.26Å; D48-G71 PolarHBondContact OD1-N 2.86Å; D48-G71 WeakPolarHBondContact OD2-CA 3.3Å; C69-G71 PolarHBondContact O-N 3.46Å; G71-K73 VanDerWaalsContact C-N 3.34Å; G71-K73 PolarHBondContact O-N 3.1Å; G71-V75 WeakPolarHBondContact O-CG2 3.28Å; G71-V75 PolarHBondContact O-N 2.92Å; G71-V75 VanDerWaalsContact O-N 3.15Å
72	E	98.6	Very high	97.8	Very high	127 Å²	127	40.1 Å²	40.1	59%	0.593	20%	0.199	S	C	*	.	H	α-helix	trans	-65.6	-37.4	-177.9	-174.1	176.8	-169.4	0	0	111.7	D48 V75 N76 F242	D48-E72 PolarHBondContact OD2-N 3.31Å; E72-V75 PolarHBondContact O-N 3.41Å; E72-N76 PolarHBondContact O-N 3.38Å; E72-F242 HydrophobicContact CB-CD1 4.02Å; E72-F242 HydrophobicContact CB-CD2 4.11Å; E72-F242 HydrophobicContact CB-CE1 4.06Å; E72-F242 HydrophobicContact CB-CE2 4.17Å; E72-F242 HydrophobicContact CB-CG 4.07Å; E72-F242 HydrophobicContact CB-CZ 4.15Å; E72-F242 HydrophobicContact CG-CD1 4.15Å; E72-F242 HydrophobicContact CG-CE1 4.5Å; E72-F242 HydrophobicContact CG-CG 4.37Å
73	K	98.6	Very high	97.9	Very high	146 Å²	146	37.8 Å²	37.8	64%	0.635	19%	0.193	S	C	*	.	H	α-helix	trans	-67.9	-43	-179.3	-59.1	177	-178.6	173.4	0	111.2	D48 G71 N76 L77	D48-K73 HydrophobicContact CB-CB 4.19Å; D48-K73 HydrophobicContact CB-CD 4.22Å; D48-K73 HydrophobicContact CB-CG 4.45Å; D48-K73 VanDerWaalsContact CG-CB 3.47Å; D48-K73 PolarHBondContact OD1-N 2.92Å; D48-K73 WeakPolarHBondContact OD2-CB 3.19Å; D48-K73 WeakPolarHBondContact OD2-CG 3.31Å; D48-K73 PolarHBondContact OD2-N 3.26Å; G71-K73 VanDerWaalsContact C-N 3.34Å; G71-K73 PolarHBondContact O-N 3.1Å; K73-N76 PolarHBondContact O-N 2.91Å; K73-L77 WeakPolarHBondContact O-CG 3.48Å; K73-L77 PolarHBondContact O-N 2.93Å
74	E	98.6	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-42.4	176.3	-177.6	58	-149.9	0	0	111.3	R39 P46 A47 D48 N76 L77 A78	R39-E74 WeakPolarHBondContact CD-OE1 3.47Å; R39-E74 IonicContact CZ-OE1 2.84Å; R39-E74 IonicContact NE-OE1 3.35Å; R39-E74 PolarHBondContact NE-OE1 2.97Å; R39-E74 IonicContact NE-OE2 3.97Å; P46-E74 HydrophobicContact CB-CB 4.19Å; P46-E74 HydrophobicContact CB-CG 3.85Å; A47-E74 WeakPolarHBondContact CB-OE2 3.43Å; A47-E74 PolarHBondContact N-OE2 3.35Å; D48-E74 WeakPolarHBondContact OD1-CB 3.33Å; D48-E74 PolarHBondContact OD1-N 3.08Å; E74-N76 VanDerWaalsContact C-N 3.35Å; E74-N76 PolarHBondContact O-N 3.28Å; E74-L77 PolarHBondContact O-N 2.71Å; E74-A78 PolarHBondContact O-N 3.19Å
75	V	98.8	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-46.3	174.2	166.6	0	0	0	0	111.2	G71 E72 L77 A78 V79 V233 T239 F242 L243	G71-V75 WeakPolarHBondContact O-CG2 3.28Å; G71-V75 PolarHBondContact O-N 2.92Å; G71-V75 VanDerWaalsContact O-N 3.15Å; E72-V75 PolarHBondContact O-N 3.41Å; V75-L77 PolarHBondContact O-N 3.49Å; V75-A78 PolarHBondContact O-N 3.24Å; V75-V79 WeakPolarHBondContact O-CG2 3.19Å; V75-V79 PolarHBondContact O-N 2.84Å; V75-V233 HydrophobicContact CG2-CG2 4.49Å; V75-T239 HydrophobicContact CG2-CG2 3.84Å; V75-F242 HydrophobicContact CB-CB 4.2Å; V75-F242 HydrophobicContact CG1-CB 4.06Å; V75-F242 HydrophobicContact CG2-CB 4.11Å; V75-L243 HydrophobicContact CG1-CD2 3.69Å; V75-L243 HydrophobicContact CG1-CG 3.97Å; V75-L243 HydrophobicContact CG2-CD2 4.41Å; V75-L243 HydrophobicContact CG2-CG 4.24Å
76	N	98.8	Very high	98.3	Very high	59 Å²	59	39.8 Å²	39.8	32%	0.316	21%	0.207	S	C	.	.	H	α-helix	trans	-60.9	-43.2	176.5	175.1	68.1	0	0	0	111.8	E72 K73 E74 A78 V79 Q80 H246	E72-N76 PolarHBondContact O-N 3.38Å; K73-N76 PolarHBondContact O-N 2.91Å; E74-N76 VanDerWaalsContact C-N 3.35Å; E74-N76 PolarHBondContact O-N 3.28Å; N76-A78 VanDerWaalsContact C-N 3.34Å; N76-A78 PolarHBondContact O-N 3.4Å; N76-V79 PolarHBondContact O-N 2.8Å; N76-Q80 WeakPolarHBondContact O-CG 3.46Å; N76-Q80 PolarHBondContact O-N 3.15Å; N76-H246 PolarHBondContact OD1-NE2 2.82Å
77	L	98.8	Very high	98.4	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-60.5	-41.7	175.9	-70.4	173.1	0	0	0	112.2	R39 A47 K73 E74 V75 Q80 N81	R39-L77 VanDerWaalsContact CD-C 3.5Å; A47-L77 HydrophobicContact CB-CD1 3.61Å; K73-L77 WeakPolarHBondContact O-CG 3.48Å; K73-L77 PolarHBondContact O-N 2.93Å; E74-L77 PolarHBondContact O-N 2.71Å; V75-L77 PolarHBondContact O-N 3.49Å; L77-Q80 PolarHBondContact O-N 3.2Å; L77-N81 PolarHBondContact O-N 3.46Å
78	A	98.8	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-42.6	176.6	0	0	0	0	0	111.6	R39 E74 V75 N76 N81 A82 V202 N231 V233	R39-A78 VanDerWaalsContact CD-CA 3.49Å; R39-A78 VanDerWaalsContact CD-N 3.34Å; R39-A78 HydrophobicContact CG-CB 4.45Å; E74-A78 PolarHBondContact O-N 3.19Å; V75-A78 PolarHBondContact O-N 3.24Å; N76-A78 VanDerWaalsContact C-N 3.34Å; N76-A78 PolarHBondContact O-N 3.4Å; A78-N81 PolarHBondContact O-N 3.01Å; A78-A82 WeakPolarHBondContact O-CB 2.97Å; A78-A82 PolarHBondContact O-N 3.19Å; A78-V202 HydrophobicContact CB-CG1 4.05Å; A78-V202 HydrophobicContact CB-CG2 4.34Å; A78-N231 HydrophobicContact CB-CB 4.25Å; A78-N231 PolarHBondContact O-ND2 3.11Å; A78-V233 HydrophobicContact CB-CG1 3.61Å
79	V	98.9	Very high	98.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-40.1	176.6	173.6	0	0	0	0	111.9	V75 N76 N81 A82 K83 V173 V202 H246 D248 V249	V75-V79 WeakPolarHBondContact O-CG2 3.19Å; V75-V79 PolarHBondContact O-N 2.84Å; N76-V79 PolarHBondContact O-N 2.8Å; V79-N81 PolarHBondContact O-N 2.72Å; V79-A82 WeakPolarHBondContact O-CB 3.21Å; V79-A82 PolarHBondContact O-N 3.1Å; V79-K83 WeakPolarHBondContact O-CB 3.4Å; V79-K83 PolarHBondContact O-N 3.49Å; V79-V173 HydrophobicContact CG1-CG1 4.32Å; V79-V202 HydrophobicContact CG2-CG2 4.16Å; V79-H246 VanDerWaalsContact CG1-CE1 3.48Å; V79-H246 WeakPolarHBondContact CG1-CE1 3.4Å; V79-D248 HydrophobicContact CG1-CB 3.67Å; V79-V249 HydrophobicContact CG1-CG2 4.46Å; V79-V249 HydrophobicContact CG2-CG2 4.02Å
80	Q	98.8	Very high	98.7	Very high	71 Å²	71	45.9 Å²	45.9	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-39.7	176.1	-67.6	-48.5	-42.3	0	0	112.1	N76 L77 K83 A84 D248	N76-Q80 WeakPolarHBondContact O-CG 3.46Å; N76-Q80 PolarHBondContact O-N 3.15Å; L77-Q80 PolarHBondContact O-N 3.2Å; Q80-K83 PolarHBondContact O-N 3.04Å; Q80-A84 PolarHBondContact O-N 2.9Å; Q80-D248 PolarHBondContact NE2-OD2 2.86Å
81	N	98.8	Very high	98.7	Very high	46 Å²	46	54.3 Å²	54.3	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-43.8	173	-79.3	1.5	0	0	0	111.8	R39 G40 L77 A78 V79 K83 A84 A85	R39-N81 HydrophobicContact CG-CB 4.35Å; R39-N81 WeakPolarHBondContact CG-ND2 3.39Å; R39-N81 PolarHBondContact NH1-ND2 3.25Å; G40-N81 WeakPolarHBondContact CA-ND2 3.39Å; G40-N81 PolarHBondContact N-ND2 2.85Å; L77-N81 PolarHBondContact O-N 3.46Å; A78-N81 PolarHBondContact O-N 3.01Å; V79-N81 PolarHBondContact O-N 2.72Å; N81-K83 VanDerWaalsContact C-N 3.32Å; N81-K83 PolarHBondContact O-N 3.19Å; N81-A84 PolarHBondContact O-N 3.04Å; N81-A85 WeakPolarHBondContact O-CB 3.37Å; N81-A85 PolarHBondContact O-N 2.79Å
82	A	98.9	Very high	98.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-42.9	173.8	0	0	0	0	0	112.3	A78 V79 A84 A85 F86 V173 A200 V202 G228	A78-A82 WeakPolarHBondContact O-CB 2.97Å; A78-A82 PolarHBondContact O-N 3.19Å; V79-A82 WeakPolarHBondContact O-CB 3.21Å; V79-A82 PolarHBondContact O-N 3.1Å; A82-A84 PolarHBondContact O-N 3Å; A82-A85 PolarHBondContact O-N 3.11Å; A82-F86 VanDerWaalsContact O-CB 3.26Å; A82-F86 WeakPolarHBondContact O-CB 3.39Å; A82-F86 PolarHBondContact O-N 2.95Å; A82-V173 HydrophobicContact CB-CB 4.44Å; A82-V173 HydrophobicContact CB-CG1 3.72Å; A82-V173 HydrophobicContact CB-CG2 3.86Å; A82-A200 HydrophobicContact CB-CB 3.86Å; A82-A200 VanDerWaalsContact O-CB 3.25Å; A82-A200 WeakPolarHBondContact O-CB 3.35Å; A82-V202 HydrophobicContact CB-CG2 3.89Å; A82-G228 WeakPolarHBondContact CA-O 3.48Å; A82-G228 PolarHBondContact N-O 2.69Å
83	K	98.7	Very high	98.6	Very high	72 Å²	72	53.5 Å²	53.5	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-65.7	-37.9	178.3	-170.7	172.5	177.7	175.6	0	112.3	V79 Q80 N81 V173 D248	V79-K83 WeakPolarHBondContact O-CB 3.4Å; V79-K83 PolarHBondContact O-N 3.49Å; Q80-K83 PolarHBondContact O-N 3.04Å; N81-K83 VanDerWaalsContact C-N 3.32Å; N81-K83 PolarHBondContact O-N 3.19Å; K83-V173 HydrophobicContact CB-CG2 4.09Å; K83-D248 HydrophobicContact CD-CB 4.5Å; K83-D248 IonicContact NZ-OD1 3.92Å; K83-D248 PolarHBondContact NZ-OD1 3.23Å; K83-D248 IonicContact NZ-OD2 2.83Å; K83-D248 PolarHBondContact NZ-OD2 3.47Å
84	A	98.7	Very high	98.6	Very high	56 Å²	56	47.2 Å²	47.2	46%	0.463	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-48.2	174.2	0	0	0	0	0	111.5	Q80 N81 A82 F86 K87	Q80-A84 PolarHBondContact O-N 2.9Å; N81-A84 PolarHBondContact O-N 3.04Å; A82-A84 PolarHBondContact O-N 3Å; A84-F86 VanDerWaalsContact C-N 3.34Å; A84-F86 PolarHBondContact O-N 3.45Å; A84-K87 PolarHBondContact O-N 3.49Å
85	A	98.8	Very high	98.6	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-37.4	178.3	0	0	0	0	0	112.7	N81 A82 K87 I88 W89 P226 G228 L229	N81-A85 WeakPolarHBondContact O-CB 3.37Å; N81-A85 PolarHBondContact O-N 2.79Å; A82-A85 PolarHBondContact O-N 3.11Å; A85-K87 VanDerWaalsContact C-N 3.28Å; A85-K87 PolarHBondContact O-N 3.39Å; A85-I88 WeakPolarHBondContact O-CB 3.24Å; A85-I88 PolarHBondContact O-N 3.4Å; A85-W89 WeakPolarHBondContact O-CB 3.49Å; A85-W89 PolarHBondContact O-N 2.84Å; A85-P226 HydrophobicContact CB-CB 4.42Å; A85-G228 VanDerWaalsContact CB-C 3.49Å; A85-L229 HydrophobicContact CB-CB 3.96Å; A85-L229 HydrophobicContact CB-CD1 3.89Å; A85-L229 VanDerWaalsContact CB-N 3.34Å
86	F	98.8	Very high	98.6	Very high	45 Å²	45	55.2 Å²	55.2	20%	0.197	28%	0.283	C	S	.	.	H	α-helix	trans	-56	-40	176.3	171.9	-110.2	0	0	0	112.7	A82 A84 I88 W89 S90 P170 G198 A200	A82-F86 VanDerWaalsContact O-CB 3.26Å; A82-F86 WeakPolarHBondContact O-CB 3.39Å; A82-F86 PolarHBondContact O-N 2.95Å; A84-F86 VanDerWaalsContact C-N 3.34Å; A84-F86 PolarHBondContact O-N 3.45Å; F86-I88 PolarHBondContact O-N 3.24Å; F86-W89 PolarHBondContact O-N 3.49Å; F86-S90 VanDerWaalsContact O-CB 3.25Å; F86-S90 WeakPolarHBondContact O-CB 3.44Å; F86-S90 PolarHBondContact O-N 2.82Å; F86-S90 PolarHBondContact O-OG 2.77Å; F86-P170 HydrophobicContact CE2-CB 3.84Å; F86-P170 HydrophobicContact CE2-CG 3.7Å; F86-P170 HydrophobicContact CZ-CB 4.36Å; F86-P170 HydrophobicContact CZ-CG 3.93Å; F86-G198 WeakPolarHBondContact CD2-O 3.28Å; F86-G198 VanDerWaalsContact CE2-O 3.31Å; F86-G198 WeakPolarHBondContact CE2-O 3.48Å; F86-A200 HydrophobicContact CB-CB 4.02Å
87	K	98.4	Very high	98.6	Very high	141 Å²	141	53.6 Å²	53.6	61%	0.613	27%	0.272	S	S	*	.	H	α-helix	trans	-60.9	-29.4	178.3	-68.3	175.3	-177.9	178.9	0	112.8	A84 A85 K91	A84-K87 PolarHBondContact O-N 3.49Å; A85-K87 VanDerWaalsContact C-N 3.28Å; A85-K87 PolarHBondContact O-N 3.39Å; K87-K91 VanDerWaalsContact O-CG 3.28Å; K87-K91 WeakPolarHBondContact O-CG 3.47Å
88	I	98.4	Very high	98.6	Very high	100 Å²	100	51.3 Å²	51.3	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-84.9	-50.6	177.9	-57.4	170.1	0	0	0	109.3	A85 F86 K91 P226	A85-I88 WeakPolarHBondContact O-CB 3.24Å; A85-I88 PolarHBondContact O-N 3.4Å; F86-I88 PolarHBondContact O-N 3.24Å; I88-K91 PolarHBondContact O-N 2.84Å; I88-P226 HydrophobicContact CG2-CG 4.33Å
89	W	98.8	Very high	98.6	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-40	-172.4	-173.7	-113.4	0	0	0	113.8	A85 F86 K91 K92 R97 I100 L195 G198 P226 L229	A85-W89 WeakPolarHBondContact O-CB 3.49Å; A85-W89 PolarHBondContact O-N 2.84Å; F86-W89 PolarHBondContact O-N 3.49Å; W89-K91 PolarHBondContact O-N 2.89Å; W89-K92 HydrophobicContact CE3-CD 3.64Å; W89-K92 HydrophobicContact CZ3-CD 3.78Å; W89-K92 WeakPolarHBondContact O-CB 3.02Å; W89-K92 PolarHBondContact O-N 2.69Å; W89-K92 VanDerWaalsContact O-N 3.15Å; W89-R97 HydrophobicContact CD2-CG 4.13Å; W89-R97 HydrophobicContact CE3-CG 4.43Å; W89-R97 HydrophobicContact CH2-CB 3.87Å; W89-R97 HydrophobicContact CH2-CG 3.83Å; W89-R97 HydrophobicContact CZ2-CB 3.59Å; W89-R97 HydrophobicContact CZ2-CG 3.48Å; W89-R97 VanDerWaalsContact CZ2-CG 3.48Å; W89-R97 HydrophobicContact CZ3-CG 4.3Å; W89-R97 VanDerWaalsContact NE1-CD 3.32Å; W89-I100 HydrophobicContact CH2-CB 4.05Å; W89-I100 HydrophobicContact CH2-CD1 4.07Å; W89-I100 HydrophobicContact CH2-CG2 3.95Å; W89-I100 HydrophobicContact CZ3-CB 4.41Å; W89-I100 HydrophobicContact CZ3-CD1 3.61Å; W89-I100 HydrophobicContact CZ3-CG2 4.24Å; W89-L195 HydrophobicContact CZ2-CB 4.48Å; W89-L195 PolarHBondContact NE1-O 3.17Å; W89-G198 VanDerWaalsContact CD1-C 3.5Å; W89-P226 HydrophobicContact CE3-CG 3.88Å; W89-L229 HydrophobicContact CB-CD1 3.37Å; W89-L229 HydrophobicContact CB-CD2 4.09Å; W89-L229 HydrophobicContact CB-CG 4.38Å; W89-L229 HydrophobicContact CD2-CD1 4.37Å; W89-L229 HydrophobicContact CD2-CD2 3.38Å; W89-L229 HydrophobicContact CE3-CD2 3.9Å; W89-L229 HydrophobicContact CG-CD1 3.58Å; W89-L229 HydrophobicContact CG-CD2 3.45Å; W89-L229 VanDerWaalsContact CG-CD2 3.45Å; W89-L229 HydrophobicContact CG-CG 4.17Å; W89-L229 HydrophobicContact CZ2-CD2 4.21Å; W89-L229 HydrophobicContact CZ3-CD2 4.48Å
90	S	98.4	Very high	98.6	Very high	33 Å²	33	60.2 Å²	60.2	23%	0.231	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16	177.4	61.4	0	0	0	0	113.9	F86	F86-S90 VanDerWaalsContact O-CB 3.25Å; F86-S90 WeakPolarHBondContact O-CB 3.44Å; F86-S90 PolarHBondContact O-N 2.82Å; F86-S90 PolarHBondContact O-OG 2.77Å
91	K	98.3	Very high	98.6	Very high	177 Å²	177	56.8 Å²	56.8	77%	0.77	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.4	176.6	-61.3	-60.9	-177.6	-176.3	0	113.6	K87 I88 W89	K87-K91 VanDerWaalsContact O-CG 3.28Å; K87-K91 WeakPolarHBondContact O-CG 3.47Å; I88-K91 PolarHBondContact O-N 2.84Å; W89-K91 PolarHBondContact O-N 2.89Å
92	K	98.4	Very high	98.6	Very high	55 Å²	55	57.7 Å²	57.7	24%	0.239	29%	0.285	C	S	.	.	S	Bend	trans	-67.4	140.4	170.7	-70.4	-176	176.1	-66.6	0	109.6	W89 E96 R97 I100	W89-K92 HydrophobicContact CE3-CD 3.64Å; W89-K92 HydrophobicContact CZ3-CD 3.78Å; W89-K92 WeakPolarHBondContact O-CB 3.02Å; W89-K92 PolarHBondContact O-N 2.69Å; W89-K92 VanDerWaalsContact O-N 3.15Å; K92-E96 HydrophobicContact CB-CB 3.95Å; K92-E96 HydrophobicContact CD-CB 4.38Å; K92-E96 HydrophobicContact CG-CB 4.34Å; K92-R97 HydrophobicContact CB-CG 3.89Å; K92-R97 PolarHBondContact O-NH1 2.88Å; K92-I100 HydrophobicContact CD-CD1 4.41Å
93	S	98.1	Very high	98.6	Very high	57 Å²	57	61 Å²	61	40%	0.399	30%	0.301	S	S	.	.			trans	-60.7	160	168.1	63.7	0	0	0	0	111.1	M95 E96 R97	S93-M95 PolarHBondContact O-N 3.48Å; S93-E96 WeakPolarHBondContact CB-OE2 3.42Å; S93-E96 PolarHBondContact N-OE2 2.84Å; S93-E96 PolarHBondContact O-N 2.95Å; S93-E96 WeakPolarHBondContact OG-CG 3.49Å; S93-E96 PolarHBondContact OG-N 2.79Å; S93-E96 PolarHBondContact OG-OE2 2.87Å; S93-R97 PolarHBondContact O-N 3.01Å; S93-R97 VanDerWaalsContact O-N 3.11Å
94	G	98.2	Very high	98.6	Very high	15 Å²	15	57.6 Å²	57.6	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-34.8	173.6	0	0	0	0	0	112.9	R97 C98 A148	G94-R97 PolarHBondContact O-N 3.29Å; G94-C98 VanDerWaalsContact O-CB 3.26Å; G94-C98 WeakPolarHBondContact O-CB 3.33Å; G94-C98 PolarHBondContact O-N 2.91Å; G94-A148 VanDerWaalsContact CA-O 3.26Å; G94-A148 WeakPolarHBondContact CA-O 3.42Å; G94-A148 WeakPolarHBondContact O-CB 3.37Å
95	M	98.3	Very high	98.6	Very high	92 Å²	92	54.9 Å²	54.9	45%	0.453	26%	0.264	S	S	.	.	H	α-helix	trans	-68.6	-40.1	177.2	-173.5	60.2	67.6	0	0	113	S93 C98 R99 A149	S93-M95 PolarHBondContact O-N 3.48Å; M95-C98 WeakPolarHBondContact O-CB 3.34Å; M95-C98 PolarHBondContact O-N 3.12Å; M95-R99 WeakPolarHBondContact O-CG 3.28Å; M95-R99 PolarHBondContact O-N 3.29Å; M95-R99 VanDerWaalsContact O-N 3.17Å; M95-A149 HydrophobicContact CE-CB 4.02Å
96	E	98.7	Very high	98.6	Very high	76 Å²	76	58.7 Å²	58.7	36%	0.355	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-39.6	175.1	-74.2	166.9	100.9	0	0	111.8	K92 S93	K92-E96 HydrophobicContact CB-CB 3.95Å; K92-E96 HydrophobicContact CD-CB 4.38Å; K92-E96 HydrophobicContact CG-CB 4.34Å; S93-E96 WeakPolarHBondContact CB-OE2 3.42Å; S93-E96 PolarHBondContact N-OE2 2.84Å; S93-E96 PolarHBondContact O-N 2.95Å; S93-E96 WeakPolarHBondContact OG-CG 3.49Å; S93-E96 PolarHBondContact OG-N 2.79Å; S93-E96 PolarHBondContact OG-OE2 2.87Å
97	R	98.8	Very high	98.6	Very high	24 Å²	24	56.6 Å²	56.6	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-43.1	174.6	-63	-163.8	-59.1	-90.5	4	111.7	W89 K92 S93 G94 R99 I100 L101 A196	W89-R97 HydrophobicContact CD2-CG 4.13Å; W89-R97 HydrophobicContact CE3-CG 4.43Å; W89-R97 HydrophobicContact CH2-CB 3.87Å; W89-R97 HydrophobicContact CH2-CG 3.83Å; W89-R97 HydrophobicContact CZ2-CB 3.59Å; W89-R97 HydrophobicContact CZ2-CG 3.48Å; W89-R97 VanDerWaalsContact CZ2-CG 3.48Å; W89-R97 HydrophobicContact CZ3-CG 4.3Å; W89-R97 VanDerWaalsContact NE1-CD 3.32Å; K92-R97 HydrophobicContact CB-CG 3.89Å; K92-R97 PolarHBondContact O-NH1 2.88Å; S93-R97 PolarHBondContact O-N 3.01Å; S93-R97 VanDerWaalsContact O-N 3.11Å; G94-R97 PolarHBondContact O-N 3.29Å; R97-R99 PolarHBondContact O-N 3.04Å; R97-I100 PolarHBondContact O-N 3.05Å; R97-L101 WeakPolarHBondContact O-CG 3.45Å; R97-L101 PolarHBondContact O-N 2.95Å; R97-A196 PolarHBondContact NE-O 2.96Å; R97-A196 PolarHBondContact NH2-O 3.37Å
98	C	98.7	Very high	98.6	Very high	14 Å²	14	49.9 Å²	49.9	10%	0.095	24%	0.239	C	C	.	.	H	α-helix	trans	-50.9	-53.3	175.7	174.5	0	0	0	0	111.7	G94 M95 I100 L101 L102 A145 A148	G94-C98 VanDerWaalsContact O-CB 3.26Å; G94-C98 WeakPolarHBondContact O-CB 3.33Å; G94-C98 PolarHBondContact O-N 2.91Å; M95-C98 WeakPolarHBondContact O-CB 3.34Å; M95-C98 PolarHBondContact O-N 3.12Å; C98-I100 VanDerWaalsContact C-N 3.29Å; C98-I100 PolarHBondContact O-N 3.24Å; C98-L101 PolarHBondContact O-N 2.85Å; C98-L101 VanDerWaalsContact O-N 3.14Å; C98-L102 WeakPolarHBondContact O-CG 3.45Å; C98-L102 PolarHBondContact O-N 3.2Å; C98-A145 VanDerWaalsContact CB-O 3.29Å; C98-A145 WeakPolarHBondContact CB-O 3.34Å; C98-A145 PolarHBondContact SG-O 3Å; C98-A148 HydrophobicContact CB-CB 4.35Å
99	R	98.8	Very high	98.6	Very high	162 Å²	162	49 Å²	49	61%	0.611	23%	0.229	S	C	*	.	H	α-helix	trans	-56.6	-41.2	-178.1	-70.5	172.1	-174.6	159.5	1.3	113.2	M95 R97 E103	M95-R99 WeakPolarHBondContact O-CG 3.28Å; M95-R99 PolarHBondContact O-N 3.29Å; M95-R99 VanDerWaalsContact O-N 3.17Å; R97-R99 PolarHBondContact O-N 3.04Å; R99-E103 PolarHBondContact O-N 2.91Å; R99-E103 VanDerWaalsContact O-N 3.11Å
100	I	98.8	Very high	98.6	Very high	25 Å²	25	55.1 Å²	55.1	13%	0.128	26%	0.258	C	S	.	.	H	α-helix	trans	-70.4	-40.9	179.8	-69.5	166.9	0	0	0	111	W89 K92 R97 C98 E103 A104 V225	W89-I100 HydrophobicContact CH2-CB 4.05Å; W89-I100 HydrophobicContact CH2-CD1 4.07Å; W89-I100 HydrophobicContact CH2-CG2 3.95Å; W89-I100 HydrophobicContact CZ3-CB 4.41Å; W89-I100 HydrophobicContact CZ3-CD1 3.61Å; W89-I100 HydrophobicContact CZ3-CG2 4.24Å; K92-I100 HydrophobicContact CD-CD1 4.41Å; R97-I100 PolarHBondContact O-N 3.05Å; C98-I100 VanDerWaalsContact C-N 3.29Å; C98-I100 PolarHBondContact O-N 3.24Å; I100-E103 PolarHBondContact O-N 3.34Å; I100-A104 PolarHBondContact O-N 3.18Å; I100-V225 HydrophobicContact CG2-CB 4.49Å; I100-V225 HydrophobicContact CG2-CG2 3.56Å
101	L	98.9	Very high	98.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-35.3	177.3	-67.4	177.9	0	0	0	112.6	R97 C98 E103 A104 A105 A145 L195 A196 Y220	R97-L101 WeakPolarHBondContact O-CG 3.45Å; R97-L101 PolarHBondContact O-N 2.95Å; C98-L101 PolarHBondContact O-N 2.85Å; C98-L101 VanDerWaalsContact O-N 3.14Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-A104 PolarHBondContact O-N 2.85Å; L101-A105 PolarHBondContact O-N 2.88Å; L101-A145 HydrophobicContact CB-CB 3.62Å; L101-A145 HydrophobicContact CD1-CB 4.49Å; L101-L195 HydrophobicContact CD2-CB 4.1Å; L101-L195 HydrophobicContact CD2-CD2 4.19Å; L101-A196 HydrophobicContact CD1-CB 3.89Å; L101-Y220 HydrophobicContact CD2-CE1 4.07Å
102	L	98.9	Very high	98.6	Very high	65 Å²	65	51.3 Å²	51.3	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-63.3	-39.2	171.8	-71.4	177.2	0	0	0	111.8	C98 A105 R106 E142 A145	C98-L102 WeakPolarHBondContact O-CG 3.45Å; C98-L102 PolarHBondContact O-N 3.2Å; L102-A105 PolarHBondContact O-N 3.15Å; L102-R106 PolarHBondContact O-N 3.12Å; L102-E142 HydrophobicContact CD2-CB 4.44Å; L102-E142 HydrophobicContact CD2-CG 3.78Å; L102-A145 HydrophobicContact CD2-CB 3.82Å; L102-A145 HydrophobicContact CG-CB 3.84Å
103	E	98.9	Very high	98.5	Very high	69 Å²	69	52.4 Å²	52.4	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-42.1	175.9	-178.6	61.8	-177.2	0	0	111.7	R99 I100 L101 A105 R106 I107 A223	R99-E103 PolarHBondContact O-N 2.91Å; R99-E103 VanDerWaalsContact O-N 3.11Å; I100-E103 PolarHBondContact O-N 3.34Å; L101-E103 VanDerWaalsContact C-N 3.32Å; E103-A105 VanDerWaalsContact C-N 3.35Å; E103-A105 PolarHBondContact O-N 3.25Å; E103-R106 WeakPolarHBondContact O-CB 3.06Å; E103-R106 PolarHBondContact O-N 3.34Å; E103-R106 IonicContact OE1-CZ 3.64Å; E103-R106 IonicContact OE1-NE 2.58Å; E103-R106 PolarHBondContact OE1-NE 2.85Å; E103-R106 IonicContact OE1-NH2 3.83Å; E103-R106 PolarHBondContact OE1-NH2 3.39Å; E103-R106 IonicContact OE2-CZ 2.72Å; E103-R106 IonicContact OE2-NE 2.7Å; E103-R106 PolarHBondContact OE2-NE 3.08Å; E103-R106 IonicContact OE2-NH2 2.67Å; E103-I107 HydrophobicContact CG-CD1 4.15Å; E103-I107 WeakPolarHBondContact O-CG1 3.38Å; E103-I107 PolarHBondContact O-N 3.03Å; E103-A223 HydrophobicContact CB-CB 4.17Å; E103-A223 HydrophobicContact CG-CB 4Å
104	A	98.9	Very high	98.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-44.8	172.8	0	0	0	0	0	111.7	I100 L101 R106 I107 I108 L141 I219 Y220 A223	I100-A104 PolarHBondContact O-N 3.18Å; L101-A104 PolarHBondContact O-N 2.85Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 3.41Å; A104-I107 PolarHBondContact O-N 2.81Å; A104-I108 WeakPolarHBondContact O-CG1 3.43Å; A104-I108 PolarHBondContact O-N 3.43Å; A104-L141 HydrophobicContact CB-CD2 3.8Å; A104-I219 HydrophobicContact CB-CG2 4.29Å; A104-Y220 HydrophobicContact CB-CD1 3.88Å; A104-Y220 HydrophobicContact CB-CE1 4.02Å; A104-A223 HydrophobicContact CB-CB 3.73Å
105	A	98.9	Very high	98.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-40.9	175.8	0	0	0	0	0	112.4	L101 L102 E103 I108 R109 W138 L141 E142	L101-A105 PolarHBondContact O-N 2.88Å; L102-A105 PolarHBondContact O-N 3.15Å; E103-A105 VanDerWaalsContact C-N 3.35Å; E103-A105 PolarHBondContact O-N 3.25Å; A105-I108 PolarHBondContact O-N 2.91Å; A105-R109 PolarHBondContact O-N 3.22Å; A105-R109 VanDerWaalsContact O-N 3.08Å; A105-W138 HydrophobicContact CB-CB 4.28Å; A105-L141 HydrophobicContact CB-CB 4.02Å; A105-E142 HydrophobicContact CB-CB 4.25Å
106	R	98.9	Very high	98.4	Very high	82 Å²	82	46.3 Å²	46.3	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-60	-46.7	174.8	-173.2	-167.6	68.2	75.3	10.7	111.7	L102 E103 A104 I108 R109 E110	L102-R106 PolarHBondContact O-N 3.12Å; E103-R106 WeakPolarHBondContact O-CB 3.06Å; E103-R106 PolarHBondContact O-N 3.34Å; E103-R106 IonicContact OE1-CZ 3.64Å; E103-R106 IonicContact OE1-NE 2.58Å; E103-R106 PolarHBondContact OE1-NE 2.85Å; E103-R106 IonicContact OE1-NH2 3.83Å; E103-R106 PolarHBondContact OE1-NH2 3.39Å; E103-R106 IonicContact OE2-CZ 2.72Å; E103-R106 IonicContact OE2-NE 2.7Å; E103-R106 PolarHBondContact OE2-NE 3.08Å; E103-R106 IonicContact OE2-NH2 2.67Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 3.41Å; R106-I108 PolarHBondContact O-N 3.33Å; R106-R109 WeakPolarHBondContact O-CB 3.28Å; R106-R109 PolarHBondContact O-N 2.97Å; R106-E110 IonicContact CZ-OE1 3.73Å; R106-E110 IonicContact CZ-OE2 2.65Å; R106-E110 IonicContact NH1-OE1 2.59Å; R106-E110 PolarHBondContact NH1-OE1 2.91Å; R106-E110 IonicContact NH1-OE2 2.69Å; R106-E110 PolarHBondContact NH1-OE2 2.83Å; R106-E110 IonicContact NH2-OE2 2.63Å; R106-E110 WeakPolarHBondContact O-CG 3.37Å; R106-E110 PolarHBondContact O-N 2.84Å
107	I	98.8	Very high	98.3	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-40	180	-63.2	162.1	0	0	0	111.1	E103 A104 R109 E110 R111 I219 E222 A223	E103-I107 HydrophobicContact CG-CD1 4.15Å; E103-I107 WeakPolarHBondContact O-CG1 3.38Å; E103-I107 PolarHBondContact O-N 3.03Å; A104-I107 PolarHBondContact O-N 2.81Å; I107-R109 VanDerWaalsContact C-N 3.34Å; I107-R109 PolarHBondContact O-N 3.36Å; I107-E110 PolarHBondContact O-N 3.11Å; I107-R111 PolarHBondContact O-N 2.83Å; I107-I219 HydrophobicContact CB-CG2 3.88Å; I107-I219 HydrophobicContact CD1-CG2 4.49Å; I107-I219 HydrophobicContact CG2-CB 4.38Å; I107-I219 HydrophobicContact CG2-CD1 4.44Å; I107-I219 HydrophobicContact CG2-CG1 3.9Å; I107-I219 HydrophobicContact CG2-CG2 3.81Å; I107-E222 HydrophobicContact CD1-CB 4.19Å; I107-E222 HydrophobicContact CD1-CG 3.89Å; I107-A223 HydrophobicContact CD1-CB 4.12Å
108	I	98.8	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60	-45.4	175.3	-65.1	170	0	0	0	110.6	A104 A105 R106 E110 R111 E112 I115 I134 W138 L141 F184 L216 I219	A104-I108 WeakPolarHBondContact O-CG1 3.43Å; A104-I108 PolarHBondContact O-N 3.43Å; A105-I108 PolarHBondContact O-N 2.91Å; R106-I108 PolarHBondContact O-N 3.33Å; I108-E110 VanDerWaalsContact C-N 3.31Å; I108-E110 PolarHBondContact O-N 2.82Å; I108-R111 CarbonylContact O-C 3.52Å; I108-R111 PolarHBondContact O-N 3.27Å; I108-E112 PolarHBondContact O-N 3.19Å; I108-E112 VanDerWaalsContact O-N 3.1Å; I108-I115 HydrophobicContact CG2-CD1 4.05Å; I108-I134 HydrophobicContact CG2-CG2 3.45Å; I108-I134 VanDerWaalsContact CG2-CG2 3.45Å; I108-W138 HydrophobicContact CB-CB 3.92Å; I108-W138 HydrophobicContact CG2-CB 3.78Å; I108-L141 HydrophobicContact CD1-CD1 4.45Å; I108-L141 HydrophobicContact CD1-CD2 3.78Å; I108-F184 HydrophobicContact CD1-CE1 4.16Å; I108-F184 HydrophobicContact CD1-CZ 4.04Å; I108-F184 HydrophobicContact CG1-CE1 4.48Å; I108-F184 HydrophobicContact CG1-CZ 4.11Å; I108-F184 HydrophobicContact CG2-CE1 3.98Å; I108-F184 HydrophobicContact CG2-CZ 4.22Å; I108-L216 HydrophobicContact CD1-CD1 3.95Å; I108-I219 HydrophobicContact CG1-CD1 3.92Å; I108-I219 HydrophobicContact CG1-CG2 4.01Å
109	R	98.3	Very high	98.2	Very high	81 Å²	81	41.8 Å²	41.8	31%	0.306	18%	0.184	S	C	.	.	H	α-helix	trans	-58.1	-41.8	175.5	-76.7	-171.1	-66.1	-112.8	2.9	112.7	A105 R106 I107 R111 E112 W138 E142	A105-R109 PolarHBondContact O-N 3.22Å; A105-R109 VanDerWaalsContact O-N 3.08Å; R106-R109 WeakPolarHBondContact O-CB 3.28Å; R106-R109 PolarHBondContact O-N 2.97Å; I107-R109 VanDerWaalsContact C-N 3.34Å; I107-R109 PolarHBondContact O-N 3.36Å; R109-R111 VanDerWaalsContact C-N 3.27Å; R109-R111 PolarHBondContact O-N 3.29Å; R109-E112 PolarHBondContact O-N 3.22Å; R109-W138 HydrophobicContact CG-CB 4.15Å; R109-W138 VanDerWaalsContact CG-CD1 3.43Å; R109-W138 HydrophobicContact CG-CD2 3.38Å; R109-W138 VanDerWaalsContact CG-CE2 3.46Å; R109-W138 HydrophobicContact CG-CE3 4.03Å; R109-W138 HydrophobicContact CG-CG 3.42Å; R109-W138 VanDerWaalsContact CG-CG 3.42Å; R109-W138 HydrophobicContact CG-CZ2 4.18Å; R109-E142 IonicContact CZ-OE1 3.69Å; R109-E142 IonicContact NH1-OE1 3.95Å; R109-E142 PolarHBondContact NH1-OE1 3.41Å; R109-E142 IonicContact NH1-OE2 3.81Å; R109-E142 IonicContact NH2-OE1 2.88Å; R109-E142 PolarHBondContact NH2-OE1 3.36Å
110	E	98.4	Very high	98.1	Very high	129 Å²	129	34.1 Å²	34.1	60%	0.603	16%	0.155	S	C	*	.	H	α-helix	trans	-72.1	-22.7	-179.2	-73.6	174.9	-178.2	0	0	113.5	R106 I107 I108	R106-E110 IonicContact CZ-OE1 3.73Å; R106-E110 IonicContact CZ-OE2 2.65Å; R106-E110 IonicContact NH1-OE1 2.59Å; R106-E110 PolarHBondContact NH1-OE1 2.91Å; R106-E110 IonicContact NH1-OE2 2.69Å; R106-E110 PolarHBondContact NH1-OE2 2.83Å; R106-E110 IonicContact NH2-OE2 2.63Å; R106-E110 WeakPolarHBondContact O-CG 3.37Å; R106-E110 PolarHBondContact O-N 2.84Å; I107-E110 PolarHBondContact O-N 3.11Å; I108-E110 VanDerWaalsContact C-N 3.31Å; I108-E110 PolarHBondContact O-N 2.82Å
111	R	97.9	Very high	98	Very high	80 Å²	80	33 Å²	33	30%	0.302	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	21.4	178.7	-61.6	-170.5	-178.3	153.7	10.8	112.7	I107 I108 R109 D113 E114 I115 E222	I107-R111 PolarHBondContact O-N 2.83Å; I108-R111 CarbonylContact O-C 3.52Å; I108-R111 PolarHBondContact O-N 3.27Å; R109-R111 VanDerWaalsContact C-N 3.27Å; R109-R111 PolarHBondContact O-N 3.29Å; R111-D113 PolarHBondContact O-N 3.14Å; R111-E114 HydrophobicContact CB-CB 4.4Å; R111-E114 WeakPolarHBondContact O-CB 3.46Å; R111-E114 PolarHBondContact O-N 3.19Å; R111-E114 VanDerWaalsContact O-N 3.15Å; R111-I115 HydrophobicContact CB-CD1 4.03Å; R111-I115 HydrophobicContact CB-CG1 4.28Å; R111-I115 VanDerWaalsContact O-CG1 3.29Å; R111-I115 WeakPolarHBondContact O-CG1 3.43Å; R111-I115 PolarHBondContact O-N 2.84Å; R111-E222 IonicContact CZ-OE1 3.87Å; R111-E222 IonicContact CZ-OE2 3.18Å; R111-E222 IonicContact NH1-OE2 2.81Å; R111-E222 PolarHBondContact NH1-OE2 2.83Å; R111-E222 IonicContact NH2-OE1 2.88Å; R111-E222 PolarHBondContact NH2-OE1 3.49Å; R111-E222 IonicContact NH2-OE2 2.78Å; R111-E222 PolarHBondContact NH2-OE2 2.97Å
112	E	97.7	Very high	97.9	Very high	49 Å²	49	33 Å²	33	23%	0.229	15%	0.149	C	C	.	.	H	α-helix	trans	-53.3	-54.5	-173.3	-171.8	-162.1	157.5	0	0	112.2	I108 R109 E114 I115 A116 R131 I134	I108-E112 PolarHBondContact O-N 3.19Å; I108-E112 VanDerWaalsContact O-N 3.1Å; R109-E112 PolarHBondContact O-N 3.22Å; E112-E114 VanDerWaalsContact C-N 3.3Å; E112-E114 PolarHBondContact O-N 2.91Å; E112-I115 PolarHBondContact O-N 3.35Å; E112-A116 WeakPolarHBondContact O-CB 3.3Å; E112-A116 PolarHBondContact O-N 3.49Å; E112-R131 VanDerWaalsContact OE1-CB 3.27Å; E112-R131 WeakPolarHBondContact OE1-CB 3.31Å; E112-R131 WeakPolarHBondContact OE1-CG 3.34Å; E112-I134 HydrophobicContact CB-CG2 4.38Å; E112-I134 HydrophobicContact CG-CB 4Å; E112-I134 HydrophobicContact CG-CG2 3.97Å
113	D	96.7	Very high	97.9	Very high	79 Å²	79	29.9 Å²	29.9	42%	0.422	13%	0.133	S	C	.	.	H	α-helix	trans	-62.3	-35.5	-179.1	-80	-40.5	0	0	0	112.9	R111 T117 R131	R111-D113 PolarHBondContact O-N 3.14Å; D113-T117 VanDerWaalsContact O-CB 3.25Å; D113-T117 WeakPolarHBondContact O-CB 3.42Å; D113-T117 PolarHBondContact O-N 2.99Å; D113-T117 PolarHBondContact O-OG1 2.99Å; D113-R131 IonicContact OD1-CZ 3.1Å; D113-R131 IonicContact OD1-NE 3.84Å; D113-R131 PolarHBondContact OD1-NE 3.18Å; D113-R131 IonicContact OD1-NH2 3.39Å; D113-R131 PolarHBondContact OD1-NH2 3.46Å
114	E	96	Very high	97.8	Very high	33 Å²	33	26.6 Å²	26.6	15%	0.154	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-52.6	176.3	-179.2	179.8	167.1	0	0	110.5	V22 R111 E112 T117 V118	V22-E114 HydrophobicContact CG2-CB 3.42Å; V22-E114 VanDerWaalsContact CG2-CB 3.42Å; V22-E114 HydrophobicContact CG2-CG 3.74Å; R111-E114 HydrophobicContact CB-CB 4.4Å; R111-E114 WeakPolarHBondContact O-CB 3.46Å; R111-E114 PolarHBondContact O-N 3.19Å; R111-E114 VanDerWaalsContact O-N 3.15Å; E112-E114 VanDerWaalsContact C-N 3.3Å; E112-E114 PolarHBondContact O-N 2.91Å; E114-T117 PolarHBondContact O-N 3.09Å; E114-V118 PolarHBondContact O-N 2.91Å; E114-V118 VanDerWaalsContact O-N 3.14Å
115	I	97.9	Very high	97.8	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-42.9	-175.9	-56	162.1	0	0	0	109.6	I108 R111 E112 T117 V118 E119 I134 F184 L215 I219	I108-I115 HydrophobicContact CG2-CD1 4.05Å; R111-I115 HydrophobicContact CB-CD1 4.03Å; R111-I115 HydrophobicContact CB-CG1 4.28Å; R111-I115 VanDerWaalsContact O-CG1 3.29Å; R111-I115 WeakPolarHBondContact O-CG1 3.43Å; R111-I115 PolarHBondContact O-N 2.84Å; E112-I115 PolarHBondContact O-N 3.35Å; I115-T117 VanDerWaalsContact C-N 3.32Å; I115-T117 PolarHBondContact O-N 3.28Å; I115-V118 PolarHBondContact O-N 3.4Å; I115-E119 WeakPolarHBondContact O-CB 3.4Å; I115-E119 PolarHBondContact O-N 3.31Å; I115-I134 HydrophobicContact CB-CD1 4.06Å; I115-I134 HydrophobicContact CB-CG1 4.16Å; I115-I134 HydrophobicContact CD1-CG2 4.37Å; I115-I134 HydrophobicContact CG2-CD1 3.42Å; I115-I134 VanDerWaalsContact CG2-CD1 3.42Å; I115-I134 HydrophobicContact CG2-CG1 4.09Å; I115-F184 HydrophobicContact CD1-CE2 4.33Å; I115-F184 HydrophobicContact CD1-CZ 4Å; I115-F184 HydrophobicContact CG2-CD1 4.2Å; I115-F184 HydrophobicContact CG2-CD2 3.53Å; I115-F184 HydrophobicContact CG2-CE1 4.27Å; I115-F184 HydrophobicContact CG2-CE2 3.59Å; I115-F184 HydrophobicContact CG2-CG 3.85Å; I115-F184 HydrophobicContact CG2-CZ 3.98Å; I115-L215 HydrophobicContact CG1-CD1 4.25Å; I115-L215 HydrophobicContact CG2-CD1 4.4Å; I115-I219 HydrophobicContact CD1-CD1 3.83Å
116	A	98.4	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-38.7	177.7	0	0	0	0	0	112	E112 E119 C120 I127 A130 R131 I134	E112-A116 WeakPolarHBondContact O-CB 3.3Å; E112-A116 PolarHBondContact O-N 3.49Å; A116-E119 PolarHBondContact O-N 2.98Å; A116-C120 WeakPolarHBondContact O-CB 3.37Å; A116-C120 PolarHBondContact O-N 3.03Å; A116-I127 HydrophobicContact CB-CD1 3.81Å; A116-A130 HydrophobicContact CB-CB 3.94Å; A116-A130 WeakPolarHBondContact O-CB 3.45Å; A116-R131 HydrophobicContact CB-CG 3.85Å; A116-I134 HydrophobicContact CB-CG1 4Å
117	T	97.6	Very high	97.8	Very high	14 Å²	14	22.9 Å²	22.9	9%	0.086	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-45.3	175.5	-62.4	0	0	0	0	111.4	M25 D113 E114 I115 E119 C120 I121 L345	M25-T117 HydrophobicContact CB-CG2 3.78Å; M25-T117 HydrophobicContact SD-CG2 4.28Å; D113-T117 VanDerWaalsContact O-CB 3.25Å; D113-T117 WeakPolarHBondContact O-CB 3.42Å; D113-T117 PolarHBondContact O-N 2.99Å; D113-T117 PolarHBondContact O-OG1 2.99Å; E114-T117 PolarHBondContact O-N 3.09Å; I115-T117 VanDerWaalsContact C-N 3.32Å; I115-T117 PolarHBondContact O-N 3.28Å; T117-E119 VanDerWaalsContact C-N 3.35Å; T117-E119 PolarHBondContact O-N 3.49Å; T117-C120 PolarHBondContact O-N 3.34Å; T117-I121 HydrophobicContact CG2-CD1 3.94Å; T117-I121 WeakPolarHBondContact O-CG1 3.38Å; T117-I121 PolarHBondContact O-N 3.19Å; T117-L345 HydrophobicContact CG2-CD2 3.98Å
118	V	96.7	Very high	97.7	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.03	12%	0.123	C	C	.	.	H	α-helix	trans	-63.2	-42.3	176.5	171.4	0	0	0	0	111.3	M25 E114 I115 I121 N122 V211 L215	M25-V118 HydrophobicContact CE-CG2 4.24Å; M25-V118 HydrophobicContact SD-CG2 3.92Å; E114-V118 PolarHBondContact O-N 2.91Å; E114-V118 VanDerWaalsContact O-N 3.14Å; I115-V118 PolarHBondContact O-N 3.4Å; V118-I121 PolarHBondContact O-N 3.25Å; V118-N122 WeakPolarHBondContact O-CB 3.47Å; V118-N122 PolarHBondContact O-N 3.3Å; V118-V211 HydrophobicContact CG1-CB 4.2Å; V118-V211 HydrophobicContact CG1-CG1 3.66Å; V118-L215 HydrophobicContact CB-CD1 4.19Å; V118-L215 HydrophobicContact CG1-CD1 4.19Å; V118-L215 HydrophobicContact CG2-CD1 4.16Å
119	E	97.4	Very high	97.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-48.3	176.9	-163	80.1	142.5	0	0	110.7	I115 A116 T117 I121 N122 N123 K125 A130 P183 F184 S212	I115-E119 WeakPolarHBondContact O-CB 3.4Å; I115-E119 PolarHBondContact O-N 3.31Å; A116-E119 PolarHBondContact O-N 2.98Å; T117-E119 VanDerWaalsContact C-N 3.35Å; T117-E119 PolarHBondContact O-N 3.49Å; E119-I121 PolarHBondContact O-N 2.78Å; E119-N122 PolarHBondContact O-N 2.8Å; E119-N123 WeakPolarHBondContact O-CB 3.46Å; E119-N123 PolarHBondContact O-N 2.88Å; E119-K125 HydrophobicContact CG-CD 4.42Å; E119-A130 HydrophobicContact CB-CB 4.36Å; E119-P183 WeakPolarHBondContact OE1-CB 3.16Å; E119-P183 WeakPolarHBondContact OE1-CD 3.39Å; E119-F184 WeakPolarHBondContact OE1-CB 3.25Å; E119-F184 PolarHBondContact OE1-N 3.13Å; E119-S212 WeakPolarHBondContact OE2-CB 3.38Å; E119-S212 PolarHBondContact OE2-OG 3.45Å
120	C	97.2	Very high	97.7	Very high	1 Å²	1	24 Å²	24	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-56.4	-46.8	177.2	177	0	0	0	0	112.2	A116 T117 G124 K125 I127 A130 P344 L345	A116-C120 WeakPolarHBondContact O-CB 3.37Å; A116-C120 PolarHBondContact O-N 3.03Å; T117-C120 PolarHBondContact O-N 3.34Å; C120-G124 WeakPolarHBondContact O-CA 3.33Å; C120-G124 PolarHBondContact O-N 3.48Å; C120-K125 PolarHBondContact SG-O 2.91Å; C120-I127 HydrophobicContact CB-CD1 4.42Å; C120-A130 HydrophobicContact CB-CB 4.41Å; C120-P344 WeakPolarHBondContact SG-CB 3.45Å; C120-P344 PolarHBondContact SG-O 2.99Å; C120-L345 HydrophobicContact CB-CD2 3.88Å; C120-L345 WeakPolarHBondContact SG-CD2 3.16Å
121	I	97.4	Very high	97.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-44.3	179.4	-68.5	168	0	0	0	111.7	M25 F30 E57 P58 T117 V118 E119 L345	M25-I121 HydrophobicContact CB-CD1 4.16Å; F30-I121 HydrophobicContact CB-CD1 4.01Å; F30-I121 HydrophobicContact CB-CG2 3.86Å; F30-I121 HydrophobicContact CD1-CG2 3.65Å; F30-I121 HydrophobicContact CE1-CG2 4.5Å; F30-I121 HydrophobicContact CG-CD1 4.23Å; F30-I121 HydrophobicContact CG-CG2 4.01Å; E57-I121 HydrophobicContact CG-CG2 4.29Å; P58-I121 VanDerWaalsContact CD-O 3.25Å; P58-I121 WeakPolarHBondContact CD-O 3.22Å; T117-I121 HydrophobicContact CG2-CD1 3.94Å; T117-I121 WeakPolarHBondContact O-CG1 3.38Å; T117-I121 PolarHBondContact O-N 3.19Å; V118-I121 PolarHBondContact O-N 3.25Å; E119-I121 PolarHBondContact O-N 2.78Å; I121-L345 HydrophobicContact CD1-CD1 4.34Å; I121-L345 HydrophobicContact CG1-CD1 4.15Å
122	N	96.9	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-80.3	-35.9	-175	-168.9	-174.8	0	0	0	112.8	P58 I64 V118 E119 F208 T209 P210 V211	P58-N122 WeakPolarHBondContact CD-O 3.34Å; I64-N122 HydrophobicContact CD1-CB 3.95Å; I64-N122 WeakPolarHBondContact CD1-ND2 3.31Å; V118-N122 WeakPolarHBondContact O-CB 3.47Å; V118-N122 PolarHBondContact O-N 3.3Å; E119-N122 PolarHBondContact O-N 2.8Å; N122-F208 PolarHBondContact ND2-O 2.94Å; N122-T209 VanDerWaalsContact OD1-C 3.3Å; N122-T209 VanDerWaalsContact OD1-CA 3.23Å; N122-T209 WeakPolarHBondContact OD1-CA 3.29Å; N122-P210 WeakPolarHBondContact OD1-CD 3.27Å; N122-V211 WeakPolarHBondContact OD1-CG2 3.34Å; N122-V211 PolarHBondContact OD1-N 3.48Å
123	N	98.1	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-96.3	-32.5	-176.5	168.6	-86.3	0	0	0	113.5	E119 K125 W180 N181 P183 T209	E119-N123 WeakPolarHBondContact O-CB 3.46Å; E119-N123 PolarHBondContact O-N 2.88Å; N123-K125 VanDerWaalsContact OD1-CB 3.28Å; N123-K125 WeakPolarHBondContact OD1-CB 3.2Å; N123-K125 WeakPolarHBondContact OD1-CE 3.35Å; N123-K125 WeakPolarHBondContact OD1-CG 3.33Å; N123-K125 PolarHBondContact OD1-N 3.4Å; N123-W180 PolarHBondContact ND2-O 2.95Å; N123-N181 PolarHBondContact ND2-O 3.26Å; N123-P183 HydrophobicContact CB-CG 4.5Å; N123-T209 HydrophobicContact CB-CG2 4.19Å
124	G	97.9	Very high	97.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.			trans	88.1	1.1	-178	0	0	0	0	0	115.6	C120 Q308 G352 P353	C120-G124 WeakPolarHBondContact O-CA 3.33Å; C120-G124 PolarHBondContact O-N 3.48Å; G124-Q308 PolarHBondContact O-NE2 2.77Å; G124-G352 WeakPolarHBondContact O-CA 3.29Å; G124-P353 VanDerWaalsContact O-CD 3.3Å; G124-P353 WeakPolarHBondContact O-CD 3.42Å
125	K	98.6	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.			trans	-66.8	155.6	168.9	66.6	179.4	67.2	-141.9	0	111.7	E119 C120 N123 E129 A130 D133 N181 Y182 T307 P344	E119-K125 HydrophobicContact CG-CD 4.42Å; C120-K125 PolarHBondContact SG-O 2.91Å; N123-K125 VanDerWaalsContact OD1-CB 3.28Å; N123-K125 WeakPolarHBondContact OD1-CB 3.2Å; N123-K125 WeakPolarHBondContact OD1-CE 3.35Å; N123-K125 WeakPolarHBondContact OD1-CG 3.33Å; N123-K125 PolarHBondContact OD1-N 3.4Å; K125-E129 HydrophobicContact CD-CB 4.43Å; K125-A130 HydrophobicContact CD-CB 4.07Å; K125-A130 HydrophobicContact CG-CB 4.11Å; K125-D133 WeakPolarHBondContact CD-OD2 3.43Å; K125-D133 WeakPolarHBondContact CE-OD2 3.32Å; K125-D133 IonicContact NZ-OD1 3.32Å; K125-D133 IonicContact NZ-OD2 2.77Å; K125-D133 PolarHBondContact NZ-OD2 3.4Å; K125-N181 VanDerWaalsContact CE-O 3.31Å; K125-N181 WeakPolarHBondContact CE-O 3.48Å; K125-N181 PolarHBondContact NZ-O 2.96Å; K125-Y182 VanDerWaalsContact NZ-CD1 3.27Å; K125-Y182 VanDerWaalsContact NZ-CE1 3.29Å; K125-T307 HydrophobicContact CB-CG2 4.39Å; K125-T307 PolarHBondContact NZ-OG1 3.47Å; K125-P344 WeakPolarHBondContact O-CB 3.48Å
126	S	98.4	Very high	97.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.			trans	-60.9	149.3	176.4	67.8	0	0	0	0	112	F128 E129 A130 P344	S126-F128 PolarHBondContact O-N 3.08Å; S126-E129 PolarHBondContact O-N 2.72Å; S126-E129 WeakPolarHBondContact OG-CG 3.42Å; S126-E129 PolarHBondContact OG-N 2.84Å; S126-E129 PolarHBondContact OG-OE1 3.11Å; S126-A130 PolarHBondContact O-N 3.25Å; S126-P344 CarbonylContact C-O 3.55Å; S126-P344 WeakPolarHBondContact CA-O 3.3Å
127	I	98.3	Very high	97.9	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-59	-33.4	176.6	-170.5	61.3	0	0	0	112	A116 C120 A130 R131 P344 L345	A116-I127 HydrophobicContact CB-CD1 3.81Å; C120-I127 HydrophobicContact CB-CD1 4.42Å; I127-A130 PolarHBondContact O-N 3.49Å; I127-R131 WeakPolarHBondContact O-CG 3.31Å; I127-R131 PolarHBondContact O-N 2.87Å; I127-P344 PolarHBondContact N-O 2.96Å; I127-L345 HydrophobicContact CD1-CD2 4.38Å
128	F	97.3	Very high	97.9	Very high	95 Å²	95	18.3 Å²	18.3	42%	0.417	9%	0.087	S	C	.	.	H	α-helix	trans	-57.5	-49.2	173.3	176.8	-93.8	0	0	0	111.6	S126 L132	S126-F128 PolarHBondContact O-N 3.08Å; F128-L132 HydrophobicContact CD1-CD1 4.34Å; F128-L132 HydrophobicContact CE1-CD1 3.79Å; F128-L132 HydrophobicContact CZ-CD1 4.19Å
129	E	98	Very high	98	Very high	12 Å²	12	21.7 Å²	21.7	6%	0.056	10%	0.103	C	C	.	.	H	α-helix	trans	-71.8	-37.8	177.4	-71.4	179.1	-109.1	0	0	112.3	K125 S126 R131 L132 D133 L306 T307	K125-E129 HydrophobicContact CD-CB 4.43Å; S126-E129 PolarHBondContact O-N 2.72Å; S126-E129 WeakPolarHBondContact OG-CG 3.42Å; S126-E129 PolarHBondContact OG-N 2.84Å; S126-E129 PolarHBondContact OG-OE1 3.11Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.1Å; E129-L132 WeakPolarHBondContact O-CB 3.12Å; E129-L132 PolarHBondContact O-N 2.89Å; E129-L132 VanDerWaalsContact O-N 3.12Å; E129-D133 PolarHBondContact O-N 3.22Å; E129-L306 HydrophobicContact CG-CD2 4.27Å; E129-T307 PolarHBondContact OE1-N 2.78Å; E129-T307 WeakPolarHBondContact OE2-CA 3.25Å; E129-T307 PolarHBondContact OE2-N 3.06Å; E129-T307 PolarHBondContact OE2-OG1 3.25Å
130	A	98.5	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.6	-40.7	178.8	0	0	0	0	0	111.8	A116 E119 C120 K125 S126 I127 L132 D133 I134	A116-A130 HydrophobicContact CB-CB 3.94Å; A116-A130 WeakPolarHBondContact O-CB 3.45Å; E119-A130 HydrophobicContact CB-CB 4.36Å; C120-A130 HydrophobicContact CB-CB 4.41Å; K125-A130 HydrophobicContact CD-CB 4.07Å; K125-A130 HydrophobicContact CG-CB 4.11Å; S126-A130 PolarHBondContact O-N 3.25Å; I127-A130 PolarHBondContact O-N 3.49Å; A130-L132 PolarHBondContact O-N 2.9Å; A130-D133 WeakPolarHBondContact O-CB 3.22Å; A130-D133 PolarHBondContact O-N 3.39Å; A130-I134 WeakPolarHBondContact O-CG1 3.5Å; A130-I134 PolarHBondContact O-N 3.37Å; A130-I134 VanDerWaalsContact O-N 3.08Å
131	R	98.3	Very high	98.2	Very high	59 Å²	59	21.6 Å²	21.6	22%	0.223	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-44.1	173.6	-76.6	-176.5	-173.4	125	-2.9	112.4	E112 D113 A116 I127 E129 D133 I134 D135 E347	E112-R131 VanDerWaalsContact OE1-CB 3.27Å; E112-R131 WeakPolarHBondContact OE1-CB 3.31Å; E112-R131 WeakPolarHBondContact OE1-CG 3.34Å; D113-R131 IonicContact OD1-CZ 3.1Å; D113-R131 IonicContact OD1-NE 3.84Å; D113-R131 PolarHBondContact OD1-NE 3.18Å; D113-R131 IonicContact OD1-NH2 3.39Å; D113-R131 PolarHBondContact OD1-NH2 3.46Å; A116-R131 HydrophobicContact CB-CG 3.85Å; I127-R131 WeakPolarHBondContact O-CG 3.31Å; I127-R131 PolarHBondContact O-N 2.87Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.1Å; R131-D133 VanDerWaalsContact C-N 3.29Å; R131-D133 PolarHBondContact O-N 2.78Å; R131-I134 PolarHBondContact O-N 2.99Å; R131-D135 PolarHBondContact O-N 2.71Å; R131-E347 IonicContact CZ-OE1 3.54Å; R131-E347 IonicContact NH1-OE1 2.96Å; R131-E347 PolarHBondContact NH1-OE1 2.89Å; R131-E347 IonicContact NH1-OE2 2.92Å; R131-E347 PolarHBondContact NH1-OE2 2.87Å; R131-E347 IonicContact NH2-OE1 3.64Å; R131-E347 PolarHBondContact NH2-OE1 3.39Å
132	L	97.6	Very high	98.2	Very high	84 Å²	84	25.1 Å²	25.1	44%	0.44	12%	0.119	S	C	.	.	H	α-helix	trans	-61.8	-35.4	174.9	-61.1	176	0	0	0	112.6	F128 E129 A130 I134 D135 T136	F128-L132 HydrophobicContact CD1-CD1 4.34Å; F128-L132 HydrophobicContact CE1-CD1 3.79Å; F128-L132 HydrophobicContact CZ-CD1 4.19Å; E129-L132 WeakPolarHBondContact O-CB 3.12Å; E129-L132 PolarHBondContact O-N 2.89Å; E129-L132 VanDerWaalsContact O-N 3.12Å; A130-L132 PolarHBondContact O-N 2.9Å; L132-I134 VanDerWaalsContact C-N 3.34Å; L132-D135 PolarHBondContact O-N 3.5Å; L132-T136 WeakPolarHBondContact O-CG2 3.29Å; L132-T136 PolarHBondContact O-N 3.08Å; L132-T136 PolarHBondContact O-OG1 3.43Å; L132-T136 VanDerWaalsContact O-OG1 3.06Å
133	D	98.2	Very high	98.3	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.043	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-41.9	173.5	-66.8	-5.9	0	0	0	111.4	K125 E129 A130 R131 D135 T136 S137 Y182 Q185	K125-D133 WeakPolarHBondContact CD-OD2 3.43Å; K125-D133 WeakPolarHBondContact CE-OD2 3.32Å; K125-D133 IonicContact NZ-OD1 3.32Å; K125-D133 IonicContact NZ-OD2 2.77Å; K125-D133 PolarHBondContact NZ-OD2 3.4Å; E129-D133 PolarHBondContact O-N 3.22Å; A130-D133 WeakPolarHBondContact O-CB 3.22Å; A130-D133 PolarHBondContact O-N 3.39Å; R131-D133 VanDerWaalsContact C-N 3.29Å; R131-D133 PolarHBondContact O-N 2.78Å; D133-D135 VanDerWaalsContact C-N 3.31Å; D133-T136 PolarHBondContact O-OG1 2.97Å; D133-S137 WeakPolarHBondContact O-CB 3.17Å; D133-S137 PolarHBondContact O-N 3.28Å; D133-S137 VanDerWaalsContact O-N 3.08Å; D133-S137 PolarHBondContact O-OG 3.4Å; D133-Y182 VanDerWaalsContact CG-CD1 3.47Å; D133-Y182 WeakPolarHBondContact OD1-CD1 3.34Å; D133-Y182 WeakPolarHBondContact OD1-CE1 3.1Å; D133-Y182 VanDerWaalsContact OD2-CD1 3.3Å; D133-Y182 WeakPolarHBondContact OD2-CD1 3.47Å; D133-Q185 HydrophobicContact CB-CB 4.49Å
134	I	98.6	Very high	98.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.2	-37.7	178.1	-52.2	-38.8	0	0	0	110.1	I108 E112 I115 A116 A130 R131 L132 S137 W138 F184	I108-I134 HydrophobicContact CG2-CG2 3.45Å; I108-I134 VanDerWaalsContact CG2-CG2 3.45Å; E112-I134 HydrophobicContact CB-CG2 4.38Å; E112-I134 HydrophobicContact CG-CB 4Å; E112-I134 HydrophobicContact CG-CG2 3.97Å; I115-I134 HydrophobicContact CB-CD1 4.06Å; I115-I134 HydrophobicContact CB-CG1 4.16Å; I115-I134 HydrophobicContact CD1-CG2 4.37Å; I115-I134 HydrophobicContact CG2-CD1 3.42Å; I115-I134 VanDerWaalsContact CG2-CD1 3.42Å; I115-I134 HydrophobicContact CG2-CG1 4.09Å; A116-I134 HydrophobicContact CB-CG1 4Å; A130-I134 WeakPolarHBondContact O-CG1 3.5Å; A130-I134 PolarHBondContact O-N 3.37Å; A130-I134 VanDerWaalsContact O-N 3.08Å; R131-I134 PolarHBondContact O-N 2.99Å; L132-I134 VanDerWaalsContact C-N 3.34Å; I134-S137 VanDerWaalsContact O-CB 3.29Å; I134-S137 WeakPolarHBondContact O-CB 3.23Å; I134-S137 PolarHBondContact O-N 3.02Å; I134-S137 VanDerWaalsContact O-N 3.13Å; I134-W138 PolarHBondContact O-N 2.83Å; I134-W138 VanDerWaalsContact O-N 3.08Å; I134-F184 HydrophobicContact CD1-CB 4.17Å; I134-F184 HydrophobicContact CD1-CD1 3.71Å; I134-F184 HydrophobicContact CD1-CE1 4.34Å; I134-F184 HydrophobicContact CD1-CG 4.01Å
135	D	98.2	Very high	98.4	Very high	45 Å²	45	27.6 Å²	27.6	24%	0.241	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-54	176.3	-89.8	-19.8	0	0	0	113	R131 L132 D133 S137 W138 Q139	R131-D135 PolarHBondContact O-N 2.71Å; L132-D135 PolarHBondContact O-N 3.5Å; D133-D135 VanDerWaalsContact C-N 3.31Å; D135-S137 PolarHBondContact O-N 3.34Å; D135-W138 VanDerWaalsContact CA-NE1 3.31Å; D135-W138 PolarHBondContact O-N 2.79Å; D135-W138 PolarHBondContact O-NE1 2.81Å; D135-W138 PolarHBondContact OD1-NE1 3.11Å; D135-Q139 WeakPolarHBondContact O-CB 3.36Å; D135-Q139 WeakPolarHBondContact O-CG 3.13Å; D135-Q139 PolarHBondContact O-N 3.5Å; D135-Q139 VanDerWaalsContact O-N 3.07Å
136	T	97.8	Very high	98.4	Very high	36 Å²	36	30 Å²	30	22%	0.221	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-23.7	177.4	55.4	0	0	0	0	112.7	L132 D133 C140 Q185	L132-T136 WeakPolarHBondContact O-CG2 3.29Å; L132-T136 PolarHBondContact O-N 3.08Å; L132-T136 PolarHBondContact O-OG1 3.43Å; L132-T136 VanDerWaalsContact O-OG1 3.06Å; D133-T136 PolarHBondContact O-OG1 2.97Å; T136-C140 WeakPolarHBondContact O-CB 3.24Å; T136-C140 PolarHBondContact O-N 3.34Å; T136-C140 VanDerWaalsContact O-N 3.15Å; T136-Q185 PolarHBondContact OG1-NE2 2.98Å
137	S	98.6	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72	-53	177	-61.4	0	0	0	0	112.1	D133 I134 D135 Q139 C140 L141 F184 Q185 S188	D133-S137 WeakPolarHBondContact O-CB 3.17Å; D133-S137 PolarHBondContact O-N 3.28Å; D133-S137 VanDerWaalsContact O-N 3.08Å; D133-S137 PolarHBondContact O-OG 3.4Å; I134-S137 VanDerWaalsContact O-CB 3.29Å; I134-S137 WeakPolarHBondContact O-CB 3.23Å; I134-S137 PolarHBondContact O-N 3.02Å; I134-S137 VanDerWaalsContact O-N 3.13Å; D135-S137 PolarHBondContact O-N 3.34Å; S137-Q139 VanDerWaalsContact C-N 3.3Å; S137-Q139 PolarHBondContact O-N 3.41Å; S137-C140 WeakPolarHBondContact O-CB 3.47Å; S137-C140 PolarHBondContact O-N 2.83Å; S137-L141 WeakPolarHBondContact O-CD1 3.37Å; S137-L141 PolarHBondContact O-N 2.96Å; S137-F184 WeakPolarHBondContact OG-CD1 3.36Å; S137-Q185 WeakPolarHBondContact OG-CA 3.35Å; S137-S188 WeakPolarHBondContact CB-OG 3.2Å
138	W	98.7	Very high	98.4	Very high	35 Å²	35	31.1 Å²	31.1	13%	0.133	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-33.3	179	69	-108.6	0	0	0	111.7	A105 I108 R109 I134 D135 C140 L141 E142	A105-W138 HydrophobicContact CB-CB 4.28Å; I108-W138 HydrophobicContact CB-CB 3.92Å; I108-W138 HydrophobicContact CG2-CB 3.78Å; R109-W138 HydrophobicContact CG-CB 4.15Å; R109-W138 VanDerWaalsContact CG-CD1 3.43Å; R109-W138 HydrophobicContact CG-CD2 3.38Å; R109-W138 VanDerWaalsContact CG-CE2 3.46Å; R109-W138 HydrophobicContact CG-CE3 4.03Å; R109-W138 HydrophobicContact CG-CG 3.42Å; R109-W138 VanDerWaalsContact CG-CG 3.42Å; R109-W138 HydrophobicContact CG-CZ2 4.18Å; I134-W138 PolarHBondContact O-N 2.83Å; I134-W138 VanDerWaalsContact O-N 3.08Å; D135-W138 VanDerWaalsContact CA-NE1 3.31Å; D135-W138 PolarHBondContact O-N 2.79Å; D135-W138 PolarHBondContact O-NE1 2.81Å; D135-W138 PolarHBondContact OD1-NE1 3.11Å; W138-C140 VanDerWaalsContact C-N 3.29Å; W138-C140 PolarHBondContact O-N 3.37Å; W138-L141 PolarHBondContact O-N 3.4Å; W138-E142 WeakPolarHBondContact CZ3-OE2 3.38Å; W138-E142 WeakPolarHBondContact O-CB 3.48Å; W138-E142 PolarHBondContact O-N 3.37Å
139	Q	98.8	Very high	98.3	Very high	75 Å²	75	29.1 Å²	29.1	35%	0.35	16%	0.16	S	C	.	.	H	α-helix	trans	-61.8	-38.1	173.6	-73.6	171.8	6.7	0	0	111.5	D135 S137 E142 Y143	D135-Q139 WeakPolarHBondContact O-CB 3.36Å; D135-Q139 WeakPolarHBondContact O-CG 3.13Å; D135-Q139 PolarHBondContact O-N 3.5Å; D135-Q139 VanDerWaalsContact O-N 3.07Å; S137-Q139 VanDerWaalsContact C-N 3.3Å; S137-Q139 PolarHBondContact O-N 3.41Å; Q139-E142 PolarHBondContact O-N 2.93Å; Q139-Y143 VanDerWaalsContact O-CB 3.26Å; Q139-Y143 WeakPolarHBondContact O-CB 3.3Å; Q139-Y143 PolarHBondContact O-N 2.94Å
140	C	98.8	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-44.8	175.3	-171.9	0	0	0	0	112.2	T136 S137 W138 E142 Y143 Y144 V477	T136-C140 WeakPolarHBondContact O-CB 3.24Å; T136-C140 PolarHBondContact O-N 3.34Å; T136-C140 VanDerWaalsContact O-N 3.15Å; S137-C140 WeakPolarHBondContact O-CB 3.47Å; S137-C140 PolarHBondContact O-N 2.83Å; W138-C140 VanDerWaalsContact C-N 3.29Å; W138-C140 PolarHBondContact O-N 3.37Å; C140-E142 PolarHBondContact O-N 3.46Å; C140-Y143 PolarHBondContact O-N 2.99Å; C140-Y144 VanDerWaalsContact O-CD2 3.27Å; C140-Y144 WeakPolarHBondContact O-CD2 3.11Å; C140-Y144 PolarHBondContact O-N 2.71Å; C140-Y144 VanDerWaalsContact O-N 3.08Å; C140-V477 HydrophobicContact CB-CG2 4Å
141	L	98.8	Very high	98	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-45.8	174.3	-86	72.9	0	0	0	111.4	A104 A105 I108 S137 W138 Y144 A145 A192 Y220	A104-L141 HydrophobicContact CB-CD2 3.8Å; A105-L141 HydrophobicContact CB-CB 4.02Å; I108-L141 HydrophobicContact CD1-CD1 4.45Å; I108-L141 HydrophobicContact CD1-CD2 3.78Å; S137-L141 WeakPolarHBondContact O-CD1 3.37Å; S137-L141 PolarHBondContact O-N 2.96Å; W138-L141 PolarHBondContact O-N 3.4Å; L141-Y144 PolarHBondContact O-N 2.87Å; L141-A145 WeakPolarHBondContact O-CB 3.49Å; L141-A145 PolarHBondContact O-N 3.24Å; L141-A192 HydrophobicContact CD1-CB 3.94Å; L141-A192 HydrophobicContact CG-CB 4.08Å; L141-Y220 HydrophobicContact CD2-CE1 3.67Å
142	E	98.8	Very high	97.9	Very high	74 Å²	74	33.6 Å²	33.6	35%	0.346	20%	0.202	S	C	.	.	H	α-helix	trans	-63.7	-42.9	-179.9	-172.6	164.1	-95.7	0	0	112.2	L102 A105 R109 W138 Q139 C140 A145 G146	L102-E142 HydrophobicContact CD2-CB 4.44Å; L102-E142 HydrophobicContact CD2-CG 3.78Å; A105-E142 HydrophobicContact CB-CB 4.25Å; R109-E142 IonicContact CZ-OE1 3.69Å; R109-E142 IonicContact NH1-OE1 3.95Å; R109-E142 PolarHBondContact NH1-OE1 3.41Å; R109-E142 IonicContact NH1-OE2 3.81Å; R109-E142 IonicContact NH2-OE1 2.88Å; R109-E142 PolarHBondContact NH2-OE1 3.36Å; W138-E142 WeakPolarHBondContact CZ3-OE2 3.38Å; W138-E142 WeakPolarHBondContact O-CB 3.48Å; W138-E142 PolarHBondContact O-N 3.37Å; Q139-E142 PolarHBondContact O-N 2.93Å; C140-E142 PolarHBondContact O-N 3.46Å; E142-A145 WeakPolarHBondContact O-CB 3.29Å; E142-A145 PolarHBondContact O-N 2.88Å; E142-G146 PolarHBondContact O-N 2.66Å
143	Y	98.9	Very high	97.9	Very high	52 Å²	52	31.1 Å²	31.1	20%	0.204	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-52.4	175.7	178.9	-99	0	0	0	111.8	Q139 C140 A145 G146 L147 V477 E478 R495	Q139-Y143 VanDerWaalsContact O-CB 3.26Å; Q139-Y143 WeakPolarHBondContact O-CB 3.3Å; Q139-Y143 PolarHBondContact O-N 2.94Å; C140-Y143 PolarHBondContact O-N 2.99Å; Y143-A145 VanDerWaalsContact C-N 3.33Å; Y143-A145 PolarHBondContact O-N 3.41Å; Y143-G146 PolarHBondContact O-N 3.21Å; Y143-L147 HydrophobicContact CD1-CD1 3.99Å; Y143-L147 HydrophobicContact CE1-CD1 3.38Å; Y143-L147 HydrophobicContact CE1-CG 4.3Å; Y143-L147 PolarHBondContact O-N 2.98Å; Y143-L147 VanDerWaalsContact O-N 3.09Å; Y143-V477 HydrophobicContact CD1-CG2 3.99Å; Y143-V477 HydrophobicContact CD2-CG1 3.92Å; Y143-V477 HydrophobicContact CG-CG1 3.84Å; Y143-V477 HydrophobicContact CG-CG2 4.02Å; Y143-E478 HydrophobicContact CD2-CG 4.43Å; Y143-E478 HydrophobicContact CE2-CB 4.35Å; Y143-E478 HydrophobicContact CE2-CG 3.99Å; Y143-R495 PolarHBondContact OH-N 3.04Å
144	Y	98.9	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.2	-27	179.9	-76.2	-67.8	0	0	0	113.2	C140 L141 G146 L147 A148 A192 P193 A196 N493 G494 T497 I498	C140-Y144 VanDerWaalsContact O-CD2 3.27Å; C140-Y144 WeakPolarHBondContact O-CD2 3.11Å; C140-Y144 PolarHBondContact O-N 2.71Å; C140-Y144 VanDerWaalsContact O-N 3.08Å; L141-Y144 PolarHBondContact O-N 2.87Å; Y144-G146 VanDerWaalsContact C-N 3.34Å; Y144-L147 HydrophobicContact CD1-CD1 4.12Å; Y144-L147 HydrophobicContact CE1-CD1 4.32Å; Y144-L147 PolarHBondContact O-N 3.21Å; Y144-A148 PolarHBondContact O-N 2.91Å; Y144-A192 HydrophobicContact CD2-CB 3.83Å; Y144-A192 HydrophobicContact CG-CB 4.46Å; Y144-P193 HydrophobicContact CD1-CB 3.93Å; Y144-P193 HydrophobicContact CD2-CB 4.2Å; Y144-P193 HydrophobicContact CD2-CG 4.42Å; Y144-P193 HydrophobicContact CE1-CB 3.68Å; Y144-P193 HydrophobicContact CE2-CB 3.96Å; Y144-P193 HydrophobicContact CE2-CG 4.03Å; Y144-P193 HydrophobicContact CG-CB 4.19Å; Y144-A196 WeakPolarHBondContact O-CB 3.5Å; Y144-N493 WeakPolarHBondContact OH-CA 3.5Å; Y144-N493 PolarHBondContact OH-N 3.45Å; Y144-N493 PolarHBondContact OH-O 3.2Å; Y144-G494 PolarHBondContact OH-O 3.46Å; Y144-G494 VanDerWaalsContact OH-O 3.13Å; Y144-T497 WeakPolarHBondContact OH-CB 3.42Å; Y144-T497 WeakPolarHBondContact OH-CG2 3.42Å; Y144-I498 HydrophobicContact CE1-CG1 4.38Å
145	A	98.7	Very high	97.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-46.5	168.6	0	0	0	0	0	110.7	C98 L101 L102 L141 E142 Y143 L147 A148	C98-A145 VanDerWaalsContact CB-O 3.29Å; C98-A145 WeakPolarHBondContact CB-O 3.34Å; C98-A145 PolarHBondContact SG-O 3Å; L101-A145 HydrophobicContact CB-CB 3.62Å; L101-A145 HydrophobicContact CD1-CB 4.49Å; L102-A145 HydrophobicContact CD2-CB 3.82Å; L102-A145 HydrophobicContact CG-CB 3.84Å; L141-A145 WeakPolarHBondContact O-CB 3.49Å; L141-A145 PolarHBondContact O-N 3.24Å; E142-A145 WeakPolarHBondContact O-CB 3.29Å; E142-A145 PolarHBondContact O-N 2.88Å; Y143-A145 VanDerWaalsContact C-N 3.33Å; Y143-A145 PolarHBondContact O-N 3.41Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 2.92Å; A145-A148 WeakPolarHBondContact O-CB 3.37Å; A145-A148 PolarHBondContact O-N 2.79Å
146	G	98	Very high	97.9	Very high	50 Å²	50	44.3 Å²	44.3	52%	0.515	26%	0.258	S	S	.	.	H	α-helix	trans	-59.5	-39.1	175.2	0	0	0	0	0	113.1	E142 Y143 Y144 A148	E142-G146 PolarHBondContact O-N 2.66Å; Y143-G146 PolarHBondContact O-N 3.21Å; Y144-G146 VanDerWaalsContact C-N 3.34Å; G146-A148 VanDerWaalsContact C-N 3.35Å; G146-A148 PolarHBondContact O-N 3.49Å
147	L	98.3	Very high	97.9	Very high	26 Å²	26	50.5 Å²	50.5	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-73.1	-23.9	177.2	-65.2	-178.2	0	0	0	113.7	Y143 Y144 A145 A149 S150 M151 R495 I498	Y143-L147 HydrophobicContact CD1-CD1 3.99Å; Y143-L147 HydrophobicContact CE1-CD1 3.38Å; Y143-L147 HydrophobicContact CE1-CG 4.3Å; Y143-L147 PolarHBondContact O-N 2.98Å; Y143-L147 VanDerWaalsContact O-N 3.09Å; Y144-L147 HydrophobicContact CD1-CD1 4.12Å; Y144-L147 HydrophobicContact CE1-CD1 4.32Å; Y144-L147 PolarHBondContact O-N 3.21Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 2.92Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 2.79Å; L147-S150 PolarHBondContact O-N 3.04Å; L147-S150 PolarHBondContact O-OG 3.16Å; L147-M151 PolarHBondContact O-N 3.25Å; L147-R495 HydrophobicContact CD1-CB 4.41Å; L147-I498 HydrophobicContact CB-CD1 3.99Å; L147-I498 HydrophobicContact CD1-CD1 3.83Å; L147-I498 HydrophobicContact CG-CD1 4.49Å
148	A	98.3	Very high	97.9	Very high	3 Å²	3	53.9 Å²	53.9	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-36.7	-170.6	0	0	0	0	0	113.9	G94 C98 Y144 A145 G146 M151 A196	G94-A148 VanDerWaalsContact CA-O 3.26Å; G94-A148 WeakPolarHBondContact CA-O 3.42Å; G94-A148 WeakPolarHBondContact O-CB 3.37Å; C98-A148 HydrophobicContact CB-CB 4.35Å; Y144-A148 PolarHBondContact O-N 2.91Å; A145-A148 WeakPolarHBondContact O-CB 3.37Å; A145-A148 PolarHBondContact O-N 2.79Å; G146-A148 VanDerWaalsContact C-N 3.35Å; G146-A148 PolarHBondContact O-N 3.49Å; A148-M151 HydrophobicContact CB-CE 4.32Å; A148-M151 WeakPolarHBondContact O-CE 3.02Å; A148-A196 HydrophobicContact CB-CB 4.2Å
149	A	95	Very high	97.8	Very high	53 Å²	53	58 Å²	58	44%	0.438	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.6	177.6	0	0	0	0	0	114	M95 L147	M95-A149 HydrophobicContact CE-CB 4.02Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 2.79Å
150	S	95.7	Very high	97.6	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-5.6	-176.5	73.4	0	0	0	0	114.2	L147 A152	L147-S150 PolarHBondContact O-N 3.04Å; L147-S150 PolarHBondContact O-OG 3.16Å; S150-A152 PolarHBondContact O-N 3.01Å
151	M	95.4	Very high	97.5	Very high	41 Å²	41	61.6 Å²	61.6	20%	0.202	39%	0.39	C	S	.	.			trans	-70	118	180	-71	-173.1	-72.8	0	0	111.2	L147 A148 A196 C197 I498	L147-M151 PolarHBondContact O-N 3.25Å; A148-M151 HydrophobicContact CB-CE 4.32Å; A148-M151 WeakPolarHBondContact O-CE 3.02Å; M151-A196 WeakPolarHBondContact CE-O 3.33Å; M151-C197 HydrophobicContact SD-CB 4.4Å; M151-I498 HydrophobicContact CG-CD1 4.03Å; M151-I498 HydrophobicContact CG-CG2 4.11Å; M151-I498 HydrophobicContact SD-CD1 4.21Å; M151-I498 HydrophobicContact SD-CG1 4.32Å; M151-I498 HydrophobicContact SD-CG2 3.67Å
152	A	95.8	Very high	97.5	Very high	66 Å²	66	62.1 Å²	62.1	55%	0.545	39%	0.394	S	S	.	.			trans	-138.1	170.3	178.7	0	0	0	0	0	110.7	S150 R168	S150-A152 PolarHBondContact O-N 3.01Å; A152-R168 PolarHBondContact O-NE 3.38Å
153	G	96.9	Very high	97.4	Very high	32 Å²	32	61.1 Å²	61.1	33%	0.33	39%	0.389	S	S	.	.			trans	-101.5	-153.9	159.5	0	0	0	0	0	110.8	T166	G153-T166 WeakPolarHBondContact CA-O 3.07Å; G153-T166 VanDerWaalsContact CA-OG1 3.29Å; G153-T166 WeakPolarHBondContact CA-OG1 3.46Å
154	E	98.3	Very high	97.4	Very high	131 Å²	131	58.9 Å²	58.9	61%	0.612	38%	0.382	S	S	*	.			trans	-124.2	157.3	-172.9	-65.3	177.9	-158.8	0	0	110.9	Y165 T166	E154-Y165 CarbonylContact O-C 3.51Å; E154-Y165 WeakPolarHBondContact O-CA 3.11Å; E154-Y165 WeakPolarHBondContact O-CB 3.48Å; E154-T166 PolarHBondContact N-OG1 3.49Å; E154-T166 PolarHBondContact O-N 3.37Å
155	H	98.7	Very high	97.4	Very high	118 Å²	118	62.8 Å²	62.8	55%	0.546	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.9	168.4	172.4	-74	0	0	0	108.7	F163	H155-F163 AromaticContact CD2-CD2 3.91Å; H155-F163 AromaticContact NE2-CD2 3.63Å; H155-F163 AromaticContact NE2-CG 3.86Å
156	I	98.7	Very high	97.4	Very high	80 Å²	80	63.7 Å²	63.7	41%	0.41	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	120.1	-171.1	-55.4	170.1	0	0	0	108.4	L158 F163 G164	I156-L158 HydrophobicContact CG2-CD2 4.28Å; I156-F163 WeakPolarHBondContact O-CA 3.35Å; I156-G164 PolarHBondContact N-O 3.19Å; I156-G164 PolarHBondContact O-N 3.14Å
157	Q	98.4	Very high	97.5	Very high	167 Å²	167	67 Å²	67	78%	0.78	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.9	173.6	-65.7	171.4	25.6	0	0	109.6
158	L	98.1	Very high	97.5	Very high	71 Å²	71	69.4 Å²	69.4	37%	0.372	41%	0.407	S	S	.	.			trans	-111.8	162.8	177.2	-56.9	176.5	0	0	0	110.3	I156 S162	I156-L158 HydrophobicContact CG2-CD2 4.28Å; L158-S162 WeakPolarHBondContact CA-O 3.37Å; L158-S162 WeakPolarHBondContact CB-O 3.38Å; L158-S162 PolarHBondContact N-O 2.96Å
159	P	96.9	Very high	97.5	Very high	121 Å²	121	70.8 Å²	70.8	79%	0.786	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-55.3	152	171.9	-24.5	35.3	0	0	0	112	G161	P159-G161 PolarHBondContact O-N 2.65Å
160	G	94.6	Very high	97.7	Very high	90 Å²	90	69.6 Å²	69.6	93%	0.928	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	74.7	2.1	175.9	0	0	0	0	0	115.5
161	G	96.1	Very high	97.8	Very high	60 Å²	60	68.4 Å²	68.4	62%	0.619	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	94.6	-6.8	176	0	0	0	0	0	115	P159	P159-G161 PolarHBondContact O-N 2.65Å
162	S	98	Very high	98	Very high	11 Å²	11	66.8 Å²	66.8	8%	0.077	38%	0.383	C	S	.	.			trans	-67.7	164.3	167.7	-67.4	0	0	0	0	111.2	L158 V509 E510 M511	L158-S162 WeakPolarHBondContact CA-O 3.37Å; L158-S162 WeakPolarHBondContact CB-O 3.38Å; L158-S162 PolarHBondContact N-O 2.96Å; S162-V509 WeakPolarHBondContact CB-O 3.4Å; S162-E510 PolarHBondContact OG-OE1 2.67Å; S162-E510 PolarHBondContact OG-OE2 3.08Å; S162-M511 PolarHBondContact OG-N 3.41Å
163	F	98.6	Very high	98.1	Very high	54 Å²	54	63.9 Å²	63.9	24%	0.237	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157	179.7	69.6	-85.9	0	0	0	112.6	H155 I156 Y165 V509 M511	H155-F163 AromaticContact CD2-CD2 3.91Å; H155-F163 AromaticContact NE2-CD2 3.63Å; H155-F163 AromaticContact NE2-CG 3.86Å; I156-F163 WeakPolarHBondContact O-CA 3.35Å; F163-Y165 HydrophobicContact CD2-CD1 4.24Å; F163-Y165 AromaticContact CE2-CD1 3.77Å; F163-Y165 HydrophobicContact CE2-CD1 3.77Å; F163-Y165 HydrophobicContact CE2-CE1 4.26Å; F163-V509 HydrophobicContact CD1-CB 4.07Å; F163-V509 HydrophobicContact CD1-CG1 4.45Å; F163-V509 HydrophobicContact CD2-CB 4.37Å; F163-V509 HydrophobicContact CD2-CG2 4.36Å; F163-V509 HydrophobicContact CE1-CB 3.62Å; F163-V509 HydrophobicContact CE1-CG1 3.66Å; F163-V509 HydrophobicContact CE1-CG2 4.2Å; F163-V509 HydrophobicContact CE2-CB 3.95Å; F163-V509 HydrophobicContact CE2-CG2 3.69Å; F163-V509 HydrophobicContact CG-CB 4.42Å; F163-V509 HydrophobicContact CZ-CB 3.56Å; F163-V509 HydrophobicContact CZ-CG1 3.76Å; F163-V509 HydrophobicContact CZ-CG2 3.59Å; F163-V509 PolarHBondContact N-O 3.01Å; F163-V509 PolarHBondContact O-N 3.26Å; F163-M511 HydrophobicContact CD1-CG 4Å; F163-M511 HydrophobicContact CD1-SD 4.25Å; F163-M511 HydrophobicContact CE1-CG 4.07Å; F163-M511 HydrophobicContact CE1-SD 3.7Å
164	G	98.6	Very high	98.2	Very high	5 Å²	5	62.4 Å²	62.4	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	150.8	170.2	0	0	0	0	0	110.9	I156 V507	I156-G164 PolarHBondContact N-O 3.19Å; I156-G164 PolarHBondContact O-N 3.14Å; G164-V507 CarbonylContact C-O 3.41Å; G164-V507 VanDerWaalsContact CA-O 3.23Å; G164-V507 WeakPolarHBondContact CA-O 3.47Å
165	Y	98.8	Very high	98.3	Very high	81 Å²	81	56.1 Å²	56.1	32%	0.318	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153	165.6	67.5	-85.5	0	0	0	111.4	E154 F163 R167 V507 V509	E154-Y165 CarbonylContact O-C 3.51Å; E154-Y165 WeakPolarHBondContact O-CA 3.11Å; E154-Y165 WeakPolarHBondContact O-CB 3.48Å; F163-Y165 HydrophobicContact CD2-CD1 4.24Å; F163-Y165 AromaticContact CE2-CD1 3.77Å; F163-Y165 HydrophobicContact CE2-CD1 3.77Å; F163-Y165 HydrophobicContact CE2-CE1 4.26Å; Y165-R167 HydrophobicContact CD2-CG 4.03Å; Y165-R167 HydrophobicContact CE2-CG 3.75Å; Y165-V507 HydrophobicContact CD1-CB 3.97Å; Y165-V507 HydrophobicContact CD1-CG1 4.26Å; Y165-V507 HydrophobicContact CD2-CB 4.3Å; Y165-V507 HydrophobicContact CD2-CG2 4.45Å; Y165-V507 HydrophobicContact CE1-CB 3.57Å; Y165-V507 HydrophobicContact CE1-CG1 3.47Å; Y165-V507 VanDerWaalsContact CE1-CG1 3.47Å; Y165-V507 HydrophobicContact CE1-CG2 4.34Å; Y165-V507 HydrophobicContact CE2-CB 3.93Å; Y165-V507 HydrophobicContact CE2-CG1 4.44Å; Y165-V507 HydrophobicContact CE2-CG2 3.86Å; Y165-V507 HydrophobicContact CG-CB 4.33Å; Y165-V507 PolarHBondContact N-O 3.35Å; Y165-V507 PolarHBondContact O-N 2.89Å; Y165-V509 HydrophobicContact CD1-CG2 4.18Å; Y165-V509 HydrophobicContact CE1-CG2 3.71Å
166	T	98.8	Very high	98.3	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.117	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.7	174.8	65	0	0	0	0	111.4	G153 E154 K505	G153-T166 WeakPolarHBondContact CA-O 3.07Å; G153-T166 VanDerWaalsContact CA-OG1 3.29Å; G153-T166 WeakPolarHBondContact CA-OG1 3.46Å; E154-T166 PolarHBondContact N-OG1 3.49Å; E154-T166 PolarHBondContact O-N 3.37Å; T166-K505 CarbonylContact C-O 3.55Å; T166-K505 VanDerWaalsContact CA-O 3.26Å; T166-K505 WeakPolarHBondContact CA-O 3.47Å
167	R	98.4	Very high	98.3	Very high	121 Å²	121	47.1 Å²	47.1	46%	0.457	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.5	171.6	-61.3	-179.8	66.6	-131.5	-11.8	108.7	Y165 E169 L504 K505	Y165-R167 HydrophobicContact CD2-CG 4.03Å; Y165-R167 HydrophobicContact CE2-CG 3.75Å; R167-E169 HydrophobicContact CB-CG 4.27Å; R167-E169 IonicContact CZ-OE1 3.61Å; R167-E169 VanDerWaalsContact CZ-OE1 3.28Å; R167-E169 IonicContact NH1-OE1 3.6Å; R167-E169 PolarHBondContact NH1-OE1 3.1Å; R167-E169 IonicContact NH2-OE1 3.5Å; R167-E169 PolarHBondContact O-N 2.96Å; R167-L504 WeakPolarHBondContact O-CA 3.25Å; R167-K505 HydrophobicContact CB-CB 4.43Å; R167-K505 PolarHBondContact N-O 2.81Å; R167-K505 PolarHBondContact O-N 2.78Å
168	R	98.4	Very high	98.3	Very high	75 Å²	75	39.4 Å²	39.4	28%	0.283	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	108	170.9	-171.9	169.9	-65.6	-85.5	3.4	109.5	A152 S502 Q503 L504	A152-R168 PolarHBondContact O-NE 3.38Å; R168-S502 WeakPolarHBondContact CD-OG 3.18Å; R168-S502 WeakPolarHBondContact CG-OG 3.39Å; R168-S502 PolarHBondContact NH1-OG 3.43Å; R168-Q503 WeakPolarHBondContact CA-O 3.48Å; R168-L504 HydrophobicContact CB-CD2 4.11Å
169	E	98.7	Very high	98.3	Very high	33 Å²	33	36.7 Å²	36.7	15%	0.154	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	147	-176.8	-63.5	-173.5	155.8	0	0	110.8	R167 S502 Q503 K505	R167-E169 HydrophobicContact CB-CG 4.27Å; R167-E169 IonicContact CZ-OE1 3.61Å; R167-E169 VanDerWaalsContact CZ-OE1 3.28Å; R167-E169 IonicContact NH1-OE1 3.6Å; R167-E169 PolarHBondContact NH1-OE1 3.1Å; R167-E169 IonicContact NH2-OE1 3.5Å; R167-E169 PolarHBondContact O-N 2.96Å; E169-S502 CarbonylContact O-C 3.45Å; E169-S502 VanDerWaalsContact O-CA 3.25Å; E169-S502 WeakPolarHBondContact O-CA 3.18Å; E169-S502 WeakPolarHBondContact O-CB 3.38Å; E169-Q503 HydrophobicContact CB-CG 4.23Å; E169-Q503 PolarHBondContact N-O 2.87Å; E169-Q503 PolarHBondContact O-N 2.88Å; E169-K505 IonicContact OE1-NZ 3.69Å; E169-K505 PolarHBondContact OE1-NZ 2.95Å; E169-K505 WeakPolarHBondContact OE2-CE 3.4Å; E169-K505 IonicContact OE2-NZ 2.76Å; E169-K505 PolarHBondContact OE2-NZ 3.19Å
170	P	98.8	Very high	98.4	Very high	28 Å²	28	32.7 Å²	32.7	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	159.6	169.5	26.6	-33.4	0	0	0	111.2	F86 C197 N199 Q503	F86-P170 HydrophobicContact CE2-CB 3.84Å; F86-P170 HydrophobicContact CE2-CG 3.7Å; F86-P170 HydrophobicContact CZ-CB 4.36Å; F86-P170 HydrophobicContact CZ-CG 3.93Å; P170-C197 WeakPolarHBondContact CB-O 3.46Å; P170-N199 WeakPolarHBondContact CB-OD1 3.38Å; P170-Q503 PolarHBondContact O-NE2 2.68Å
171	L	98.9	Very high	98.5	Very high	32 Å²	32	28.7 Å²	28.7	17%	0.168	15%	0.15	C	C	.	.			trans	-79.8	-38.5	177.5	-57.8	177.9	0	0	0	112.3	N199 A250 K251 Q503	L171-N199 WeakPolarHBondContact CA-OD1 3.45Å; L171-N199 PolarHBondContact N-OD1 2.8Å; L171-A250 HydrophobicContact CB-CB 4.05Å; L171-A250 WeakPolarHBondContact O-CB 3.28Å; L171-K251 HydrophobicContact CD1-CB 3.89Å; L171-K251 HydrophobicContact CD1-CD 3.62Å; L171-K251 HydrophobicContact CD1-CG 4.3Å; L171-Q503 HydrophobicContact CD2-CB 3.92Å; L171-Q503 HydrophobicContact CD2-CG 4.07Å
172	G	98.8	Very high	98.7	Very high	7 Å²	7	27.1 Å²	27.1	7%	0.072	13%	0.126	C	C	.	.	S	Bend	trans	129.9	-127	-175.9	0	0	0	0	0	112.7	N199 A200	G172-N199 PolarHBondContact N-OD1 3.3Å; G172-N199 WeakPolarHBondContact O-CA 3.47Å; G172-N199 WeakPolarHBondContact O-CB 3.48Å; G172-A200 PolarHBondContact O-N 2.95Å
173	V	98.9	Very high	98.7	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.8	173.8	-178.4	0	0	0	0	109.3	V79 A82 K83 V202 V249 A250	V79-V173 HydrophobicContact CG1-CG1 4.32Å; A82-V173 HydrophobicContact CB-CB 4.44Å; A82-V173 HydrophobicContact CB-CG1 3.72Å; A82-V173 HydrophobicContact CB-CG2 3.86Å; K83-V173 HydrophobicContact CB-CG2 4.09Å; V173-V202 HydrophobicContact CG1-CG2 4.23Å; V173-V249 HydrophobicContact CG1-CG2 4.49Å; V173-A250 PolarHBondContact O-N 2.9Å
174	C	98.9	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	150	173.3	-61.9	0	0	0	0	110.4	A200 M201 V202 K251 Y501	C174-A200 PolarHBondContact N-O 3.01Å; C174-M201 HydrophobicContact CB-CE 4.21Å; C174-M201 CarbonylContact O-C 3.54Å; C174-M201 VanDerWaalsContact O-CA 3.26Å; C174-M201 WeakPolarHBondContact O-CA 3.47Å; C174-V202 PolarHBondContact O-N 3.34Å; C174-K251 HydrophobicContact CB-CB 4.43Å; C174-Y501 HydrophobicContact CB-CE1 4.18Å
175	V	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.1	170.5	165.7	0	0	0	0	109.3	I177 V202 L243 V249 K251 V252 S253	V175-I177 HydrophobicContact CG1-CD1 4.29Å; V175-I177 HydrophobicContact CG1-CG1 3.95Å; V175-V202 VanDerWaalsContact CA-O 3.31Å; V175-V202 WeakPolarHBondContact CA-O 3.47Å; V175-V202 HydrophobicContact CG2-CB 4.49Å; V175-L243 HydrophobicContact CG1-CB 3.9Å; V175-L243 HydrophobicContact CG1-CD1 4.22Å; V175-L243 HydrophobicContact CG1-CD2 4.42Å; V175-L243 HydrophobicContact CG1-CG 4.43Å; V175-L243 HydrophobicContact CG2-CB 4.18Å; V175-L243 HydrophobicContact CG2-CD2 3.93Å; V175-V249 HydrophobicContact CB-CG1 4.11Å; V175-V249 HydrophobicContact CG2-CB 4.26Å; V175-V249 HydrophobicContact CG2-CG1 3.57Å; V175-V249 HydrophobicContact CG2-CG2 3.61Å; V175-K251 PolarHBondContact N-O 2.84Å; V175-V252 HydrophobicContact CB-CG2 4.5Å; V175-V252 HydrophobicContact CG1-CG1 4.48Å; V175-V252 CarbonylContact O-C 3.36Å; V175-V252 WeakPolarHBondContact O-CA 3.43Å; V175-S253 PolarHBondContact O-N 2.86Å
176	G	98.9	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.9	167.9	0	0	0	0	0	110.4	V202 F203 K204 S253	G176-V202 PolarHBondContact N-O 2.87Å; G176-F203 CarbonylContact O-C 3.4Å; G176-F203 VanDerWaalsContact O-CA 3.28Å; G176-F203 WeakPolarHBondContact O-CA 3.49Å; G176-F203 WeakPolarHBondContact O-CD2 3.34Å; G176-K204 PolarHBondContact O-N 3.22Å; G176-S253 CarbonylContact C-O 3.56Å; G176-S253 WeakPolarHBondContact CA-O 3.42Å
177	I	98.9	Very high	98.7	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.041	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.4	172.1	-64.2	168.8	0	0	0	107.7	V175 K190 K204 S253 F254 T255 I264	V175-I177 HydrophobicContact CG1-CD1 4.29Å; V175-I177 HydrophobicContact CG1-CG1 3.95Å; I177-K190 WeakPolarHBondContact O-CE 3.44Å; I177-K204 HydrophobicContact CG1-CB 4.36Å; I177-S253 PolarHBondContact N-O 2.66Å; I177-F254 HydrophobicContact CB-CD2 3.85Å; I177-F254 HydrophobicContact CG2-CD2 3.57Å; I177-F254 HydrophobicContact CG2-CE2 3.9Å; I177-T255 PolarHBondContact O-N 3.07Å; I177-T255 VanDerWaalsContact O-N 3.08Å; I177-I264 HydrophobicContact CD1-CD1 4.19Å
178	G	98.3	Very high	98.7	Very high	5 Å²	5	14.9 Å²	14.9	5%	0.052	7%	0.074	C	C	.	.			trans	-92	156.9	-174.4	0	0	0	0	0	114.2	K204	G178-K204 PolarHBondContact N-O 2.78Å
179	A	98.4	Very high	98.7	Very high	14 Å²	14	12 Å²	12	12%	0.116	6%	0.063	C	C	.	.			trans	-90	174.5	166.4	0	0	0	0	0	110.8	N181 I186 T255	A179-N181 WeakPolarHBondContact CB-OD1 3.21Å; A179-I186 HydrophobicContact CB-CD1 3.88Å; A179-T255 HydrophobicContact CB-CG2 4.1Å
180	W	98.6	Very high	98.7	Very high	37 Å²	37	10.5 Å²	10.5	14%	0.14	6%	0.056	C	C	.	.	S	Bend	trans	-96.3	-11.6	-176	46.9	-97.4	0	0	0	114.6	N123 P183 S206 F208 T209 Q310 I355 H359 F417	N123-W180 PolarHBondContact ND2-O 2.95Å; W180-P183 WeakPolarHBondContact O-CD 3.16Å; W180-P183 VanDerWaalsContact O-CG 3.31Å; W180-P183 WeakPolarHBondContact O-CG 3.46Å; W180-S206 WeakPolarHBondContact CB-OG 3.44Å; W180-F208 HydrophobicContact CB-CB 4.19Å; W180-F208 HydrophobicContact CB-CD2 4.41Å; W180-F208 AromaticContact CD1-CD2 3.65Å; W180-F208 AromaticContact CG-CD2 3.98Å; W180-F208 HydrophobicContact CG-CD2 3.98Å; W180-T209 WeakPolarHBondContact CA-OG1 3.47Å; W180-T209 HydrophobicContact CB-CG2 3.93Å; W180-T209 WeakPolarHBondContact O-CG2 3.28Å; W180-Q310 HydrophobicContact CH2-CB 3.79Å; W180-Q310 HydrophobicContact CH2-CG 3.79Å; W180-Q310 VanDerWaalsContact CH2-OE1 3.32Å; W180-Q310 HydrophobicContact CZ3-CB 3.71Å; W180-Q310 HydrophobicContact CZ3-CG 3.9Å; W180-Q310 VanDerWaalsContact CZ3-OE1 3.28Å; W180-I355 HydrophobicContact CB-CG1 4.42Å; W180-I355 HydrophobicContact CD2-CB 4.18Å; W180-I355 HydrophobicContact CD2-CG1 3.98Å; W180-I355 HydrophobicContact CD2-CG2 3.96Å; W180-I355 HydrophobicContact CE3-CB 3.59Å; W180-I355 HydrophobicContact CE3-CD1 4.25Å; W180-I355 HydrophobicContact CE3-CG1 3.68Å; W180-I355 HydrophobicContact CE3-CG2 3.73Å; W180-I355 HydrophobicContact CG-CG1 4.32Å; W180-I355 HydrophobicContact CH2-CB 4.11Å; W180-I355 HydrophobicContact CH2-CG2 3.49Å; W180-I355 VanDerWaalsContact CH2-CG2 3.49Å; W180-I355 HydrophobicContact CZ2-CG2 3.76Å; W180-I355 HydrophobicContact CZ3-CB 3.58Å; W180-I355 HydrophobicContact CZ3-CG1 4.22Å; W180-I355 HydrophobicContact CZ3-CG2 3.52Å; W180-H359 AromaticContact CH2-CD2 3.88Å; W180-H359 AromaticContact CH2-NE2 3.79Å; W180-F417 AromaticContact CH2-CD1 3.45Å; W180-F417 HydrophobicContact CH2-CD1 3.45Å; W180-F417 VanDerWaalsContact CH2-CD1 3.45Å; W180-F417 AromaticContact CH2-CE1 3.3Å; W180-F417 HydrophobicContact CH2-CE1 3.3Å; W180-F417 AromaticContact CZ2-CD1 3.54Å; W180-F417 HydrophobicContact CZ2-CD1 3.54Å; W180-F417 AromaticContact CZ2-CE1 3.39Å; W180-F417 HydrophobicContact CZ2-CE1 3.39Å; W180-F417 HydrophobicContact CZ3-CD1 4.48Å; W180-F417 AromaticContact CZ3-CE1 3.99Å; W180-F417 HydrophobicContact CZ3-CE1 3.99Å
181	N	98.5	Very high	98.8	Very high	7 Å²	7	9.1 Å²	9.1	4%	0.037	5%	0.047	C	C	.	.	S	Bend	trans	-81.2	-29.4	-171.4	59.7	-36.8	0	0	0	113.9	N123 K125 A179 Q310 F417	N123-N181 PolarHBondContact ND2-O 3.26Å; K125-N181 VanDerWaalsContact CE-O 3.31Å; K125-N181 WeakPolarHBondContact CE-O 3.48Å; K125-N181 PolarHBondContact NZ-O 2.96Å; A179-N181 WeakPolarHBondContact CB-OD1 3.21Å; N181-Q310 HydrophobicContact CB-CB 4.4Å; N181-Q310 WeakPolarHBondContact CB-O 3.5Å; N181-Q310 PolarHBondContact ND2-O 3Å; N181-F417 HydrophobicContact CB-CE1 4.23Å; N181-F417 HydrophobicContact CB-CZ 4.15Å
182	Y	98.6	Very high	98.8	Very high	27 Å²	27	7.6 Å²	7.6	11%	0.106	4%	0.039	C	C	.	.	S	Bend	trans	-135	64.6	172	-68.5	-93.3	0	0	0	110.8	K125 D133 F184 Q185 I186 T307 V311	K125-Y182 VanDerWaalsContact NZ-CD1 3.27Å; K125-Y182 VanDerWaalsContact NZ-CE1 3.29Å; D133-Y182 VanDerWaalsContact CG-CD1 3.47Å; D133-Y182 WeakPolarHBondContact OD1-CD1 3.34Å; D133-Y182 WeakPolarHBondContact OD1-CE1 3.1Å; D133-Y182 VanDerWaalsContact OD2-CD1 3.3Å; D133-Y182 WeakPolarHBondContact OD2-CD1 3.47Å; Y182-F184 PolarHBondContact O-N 3.37Å; Y182-Q185 PolarHBondContact O-N 2.93Å; Y182-I186 WeakPolarHBondContact O-CB 3.47Å; Y182-I186 VanDerWaalsContact O-CG1 3.25Å; Y182-I186 WeakPolarHBondContact O-CG1 3.13Å; Y182-I186 PolarHBondContact O-N 3.1Å; Y182-T307 HydrophobicContact CE2-CG2 4.38Å; Y182-T307 PolarHBondContact OH-OG1 3.43Å; Y182-V311 HydrophobicContact CE2-CB 4.36Å; Y182-V311 HydrophobicContact CE2-CG1 4.04Å; Y182-V311 HydrophobicContact CE2-CG2 3.95Å; Y182-V311 WeakPolarHBondContact OH-CG2 3.45Å
183	P	98.6	Very high	98.8	Very high	4 Å²	4	7.3 Å²	7.3	3%	0.026	4%	0.036	C	C	.	.	H	α-helix	trans	-54.2	-53.6	-167.8	-24.3	29.8	0	0	0	115.2	E119 N123 W180 A187 T209	E119-P183 WeakPolarHBondContact OE1-CB 3.16Å; E119-P183 WeakPolarHBondContact OE1-CD 3.39Å; N123-P183 HydrophobicContact CB-CG 4.5Å; W180-P183 WeakPolarHBondContact O-CD 3.16Å; W180-P183 VanDerWaalsContact O-CG 3.31Å; W180-P183 WeakPolarHBondContact O-CG 3.46Å; P183-A187 WeakPolarHBondContact O-CB 3.46Å; P183-A187 PolarHBondContact O-N 3.32Å; P183-T209 VanDerWaalsContact CG-CB 3.42Å; P183-T209 HydrophobicContact CG-CG2 3.71Å; P183-T209 WeakPolarHBondContact CG-OG1 3.31Å
184	F	98.8	Very high	98.8	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-72.1	-40.4	-176.7	-169.2	-90.1	0	0	0	111.9	I108 I115 E119 I134 S137 Y182 A187 S188 S212 L215 L216	I108-F184 HydrophobicContact CD1-CE1 4.16Å; I108-F184 HydrophobicContact CD1-CZ 4.04Å; I108-F184 HydrophobicContact CG1-CE1 4.48Å; I108-F184 HydrophobicContact CG1-CZ 4.11Å; I108-F184 HydrophobicContact CG2-CE1 3.98Å; I108-F184 HydrophobicContact CG2-CZ 4.22Å; I115-F184 HydrophobicContact CD1-CE2 4.33Å; I115-F184 HydrophobicContact CD1-CZ 4Å; I115-F184 HydrophobicContact CG2-CD1 4.2Å; I115-F184 HydrophobicContact CG2-CD2 3.53Å; I115-F184 HydrophobicContact CG2-CE1 4.27Å; I115-F184 HydrophobicContact CG2-CE2 3.59Å; I115-F184 HydrophobicContact CG2-CG 3.85Å; I115-F184 HydrophobicContact CG2-CZ 3.98Å; E119-F184 WeakPolarHBondContact OE1-CB 3.25Å; E119-F184 PolarHBondContact OE1-N 3.13Å; I134-F184 HydrophobicContact CD1-CB 4.17Å; I134-F184 HydrophobicContact CD1-CD1 3.71Å; I134-F184 HydrophobicContact CD1-CE1 4.34Å; I134-F184 HydrophobicContact CD1-CG 4.01Å; S137-F184 WeakPolarHBondContact OG-CD1 3.36Å; Y182-F184 PolarHBondContact O-N 3.37Å; F184-A187 PolarHBondContact O-N 3.27Å; F184-S188 WeakPolarHBondContact O-CB 3.45Å; F184-S188 PolarHBondContact O-N 3.22Å; F184-S188 PolarHBondContact O-OG 3.04Å; F184-S212 WeakPolarHBondContact CD2-O 3.25Å; F184-L215 HydrophobicContact CE2-CB 4.49Å; F184-L216 HydrophobicContact CD2-CB 4.28Å; F184-L216 HydrophobicContact CE2-CB 3.66Å; F184-L216 HydrophobicContact CE2-CD1 4.42Å; F184-L216 HydrophobicContact CZ-CB 4.13Å; F184-L216 HydrophobicContact CZ-CD1 4.01Å
185	Q	98.8	Very high	98.8	Very high	21 Å²	21	7 Å²	7	10%	0.098	3%	0.034	C	C	.	.	H	α-helix	trans	-63.6	-47.7	177.1	-178.7	-165.2	81.2	0	0	112	D133 T136 S137 Y182 A187 S188 W189	D133-Q185 HydrophobicContact CB-CB 4.49Å; T136-Q185 PolarHBondContact OG1-NE2 2.98Å; S137-Q185 WeakPolarHBondContact OG-CA 3.35Å; Y182-Q185 PolarHBondContact O-N 2.93Å; Q185-A187 VanDerWaalsContact C-N 3.3Å; Q185-A187 PolarHBondContact O-N 3.1Å; Q185-S188 CarbonylContact O-C 3.5Å; Q185-S188 WeakPolarHBondContact O-CA 3.49Å; Q185-S188 WeakPolarHBondContact O-CB 3.41Å; Q185-S188 PolarHBondContact O-N 3.43Å; Q185-W189 HydrophobicContact CG-CD2 4.21Å; Q185-W189 HydrophobicContact CG-CG 4.33Å; Q185-W189 HydrophobicContact CG-CZ2 4.1Å; Q185-W189 WeakPolarHBondContact O-CB 3.32Å; Q185-W189 VanDerWaalsContact O-CD1 3.32Å; Q185-W189 PolarHBondContact O-N 3.5Å
186	I	98.8	Very high	98.8	Very high	9 Å²	9	7 Å²	7	5%	0.046	4%	0.035	C	C	.	.	H	α-helix	trans	-64	-38.2	178.6	-68.6	168.3	0	0	0	110.9	A179 Y182 S188 W189 K190 T255	A179-I186 HydrophobicContact CB-CD1 3.88Å; Y182-I186 WeakPolarHBondContact O-CB 3.47Å; Y182-I186 VanDerWaalsContact O-CG1 3.25Å; Y182-I186 WeakPolarHBondContact O-CG1 3.13Å; Y182-I186 PolarHBondContact O-N 3.1Å; I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 2.91Å; I186-W189 PolarHBondContact O-N 3.44Å; I186-K190 HydrophobicContact CG2-CD 4.36Å; I186-K190 WeakPolarHBondContact O-CG 3.38Å; I186-K190 PolarHBondContact O-N 2.92Å; I186-K190 VanDerWaalsContact O-N 3.08Å; I186-T255 HydrophobicContact CD1-CG2 4.14Å
187	A	98.9	Very high	98.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.3	-40.8	173.7	0	0	0	0	0	111.4	P183 F184 Q185 S191 F203 A213 L216	P183-A187 WeakPolarHBondContact O-CB 3.46Å; P183-A187 PolarHBondContact O-N 3.32Å; F184-A187 PolarHBondContact O-N 3.27Å; Q185-A187 VanDerWaalsContact C-N 3.3Å; Q185-A187 PolarHBondContact O-N 3.1Å; A187-S191 VanDerWaalsContact O-CB 3.22Å; A187-S191 WeakPolarHBondContact O-CB 3.26Å; A187-S191 PolarHBondContact O-N 3.17Å; A187-S191 PolarHBondContact O-OG 3.01Å; A187-F203 HydrophobicContact CB-CD1 4.26Å; A187-F203 HydrophobicContact CB-CE1 3.7Å; A187-F203 HydrophobicContact CB-CE2 4.11Å; A187-F203 HydrophobicContact CB-CZ 3.62Å; A187-A213 HydrophobicContact CB-CB 4.49Å; A187-L216 HydrophobicContact CB-CD2 3.69Å
188	S	98.8	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-68	-47.5	176.5	-59.3	0	0	0	0	112.2	S137 F184 Q185 I186 K190 S191 A192	S137-S188 WeakPolarHBondContact CB-OG 3.2Å; F184-S188 WeakPolarHBondContact O-CB 3.45Å; F184-S188 PolarHBondContact O-N 3.22Å; F184-S188 PolarHBondContact O-OG 3.04Å; Q185-S188 CarbonylContact O-C 3.5Å; Q185-S188 WeakPolarHBondContact O-CA 3.49Å; Q185-S188 WeakPolarHBondContact O-CB 3.41Å; Q185-S188 PolarHBondContact O-N 3.43Å; I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 2.91Å; S188-K190 VanDerWaalsContact C-N 3.25Å; S188-K190 PolarHBondContact O-N 3.22Å; S188-S191 PolarHBondContact O-N 3.17Å; S188-S191 PolarHBondContact O-OG 3.22Å; S188-A192 WeakPolarHBondContact O-CB 3.09Å; S188-A192 PolarHBondContact O-N 3.48Å
189	W	98.7	Very high	98.8	Very high	15 Å²	15	6.7 Å²	6.7	6%	0.057	3%	0.032	C	C	.	.	H	α-helix	trans	-62.8	-29	-179.7	-75	18.4	0	0	0	113.4	Q185 I186 P193 F481 E492 N493	Q185-W189 HydrophobicContact CG-CD2 4.21Å; Q185-W189 HydrophobicContact CG-CG 4.33Å; Q185-W189 HydrophobicContact CG-CZ2 4.1Å; Q185-W189 WeakPolarHBondContact O-CB 3.32Å; Q185-W189 VanDerWaalsContact O-CD1 3.32Å; Q185-W189 PolarHBondContact O-N 3.5Å; I186-W189 PolarHBondContact O-N 3.44Å; W189-P193 WeakPolarHBondContact O-CD 3.13Å; W189-P193 WeakPolarHBondContact O-CG 3.49Å; W189-F481 HydrophobicContact CZ3-CD1 4.31Å; W189-E492 HydrophobicContact CE3-CB 4.32Å; W189-N493 VanDerWaalsContact CH2-ND2 3.28Å; W189-N493 WeakPolarHBondContact CH2-ND2 3.32Å; W189-N493 WeakPolarHBondContact CZ2-ND2 3.12Å; W189-N493 WeakPolarHBondContact CZ3-ND2 3.48Å
190	K	98.9	Very high	98.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-82.6	-46.3	172.8	-67.1	-170.6	-167.9	-55	0	112.2	I177 I186 S188 A194 M201 F203 S253 T255 E492 Y501	I177-K190 WeakPolarHBondContact O-CE 3.44Å; I186-K190 HydrophobicContact CG2-CD 4.36Å; I186-K190 WeakPolarHBondContact O-CG 3.38Å; I186-K190 PolarHBondContact O-N 2.92Å; I186-K190 VanDerWaalsContact O-N 3.08Å; S188-K190 VanDerWaalsContact C-N 3.25Å; S188-K190 PolarHBondContact O-N 3.22Å; K190-A194 WeakPolarHBondContact O-CB 3.45Å; K190-M201 HydrophobicContact CB-CE 4.05Å; K190-M201 HydrophobicContact CB-SD 4.1Å; K190-M201 WeakPolarHBondContact O-CE 3.34Å; K190-F203 HydrophobicContact CD-CE2 4.2Å; K190-S253 PolarHBondContact NZ-OG 3.36Å; K190-T255 WeakPolarHBondContact CE-OG1 3.35Å; K190-T255 PolarHBondContact NZ-OG1 3.15Å; K190-E492 VanDerWaalsContact CG-OE1 3.3Å; K190-E492 WeakPolarHBondContact CG-OE1 3.29Å; K190-E492 IonicContact NZ-OE1 3.33Å; K190-E492 PolarHBondContact NZ-OE1 3.01Å; K190-Y501 PolarHBondContact O-OH 3.32Å
191	S	98.9	Very high	98.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-75.3	-39	-172.4	61.4	0	0	0	0	113.3	A187 S188 A194 L195 Y220	A187-S191 VanDerWaalsContact O-CB 3.22Å; A187-S191 WeakPolarHBondContact O-CB 3.26Å; A187-S191 PolarHBondContact O-N 3.17Å; A187-S191 PolarHBondContact O-OG 3.01Å; S188-S191 PolarHBondContact O-N 3.17Å; S188-S191 PolarHBondContact O-OG 3.22Å; S191-A194 PolarHBondContact O-N 2.99Å; S191-L195 WeakPolarHBondContact O-CB 3.23Å; S191-L195 WeakPolarHBondContact O-CD1 3.32Å; S191-L195 PolarHBondContact O-N 3.45Å; S191-Y220 PolarHBondContact OG-OH 3.38Å
192	A	98.9	Very high	98.8	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-56.4	-56	-178.2	0	0	0	0	0	113.3	L141 Y144 S188 A194 A196	L141-A192 HydrophobicContact CD1-CB 3.94Å; L141-A192 HydrophobicContact CG-CB 4.08Å; Y144-A192 HydrophobicContact CD2-CB 3.83Å; Y144-A192 HydrophobicContact CG-CB 4.46Å; S188-A192 WeakPolarHBondContact O-CB 3.09Å; S188-A192 PolarHBondContact O-N 3.48Å; A192-A194 VanDerWaalsContact C-N 3.33Å; A192-A194 PolarHBondContact O-N 3.43Å; A192-A196 VanDerWaalsContact O-CB 3.23Å; A192-A196 WeakPolarHBondContact O-CB 3.36Å; A192-A196 PolarHBondContact O-N 3.48Å
193	P	98.9	Very high	98.9	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-64.3	-37	176.4	22.6	-31.8	0	0	0	112.5	Y144 W189 C197 T497 Y501	Y144-P193 HydrophobicContact CD1-CB 3.93Å; Y144-P193 HydrophobicContact CD2-CB 4.2Å; Y144-P193 HydrophobicContact CD2-CG 4.42Å; Y144-P193 HydrophobicContact CE1-CB 3.68Å; Y144-P193 HydrophobicContact CE2-CB 3.96Å; Y144-P193 HydrophobicContact CE2-CG 4.03Å; Y144-P193 HydrophobicContact CG-CB 4.19Å; W189-P193 WeakPolarHBondContact O-CD 3.13Å; W189-P193 WeakPolarHBondContact O-CG 3.49Å; P193-C197 WeakPolarHBondContact O-CB 3.33Å; P193-C197 PolarHBondContact O-N 2.94Å; P193-C197 PolarHBondContact O-SG 3.41Å; P193-T497 HydrophobicContact CB-CG2 3.79Å; P193-T497 HydrophobicContact CG-CG2 3.94Å; P193-Y501 HydrophobicContact CB-CD2 3.83Å; P193-Y501 HydrophobicContact CB-CE2 4.12Å; P193-Y501 HydrophobicContact CG-CD2 4.01Å; P193-Y501 HydrophobicContact CG-CE2 3.76Å
194	A	98.9	Very high	98.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61.8	-51.9	-179.9	0	0	0	0	0	111.6	K190 S191 A192 C197 G198 N199 M201 Y501	K190-A194 WeakPolarHBondContact O-CB 3.45Å; S191-A194 PolarHBondContact O-N 2.99Å; A192-A194 VanDerWaalsContact C-N 3.33Å; A192-A194 PolarHBondContact O-N 3.43Å; A194-C197 PolarHBondContact O-N 3.2Å; A194-G198 PolarHBondContact O-N 2.92Å; A194-N199 HydrophobicContact CB-CB 4.35Å; A194-N199 VanDerWaalsContact O-CB 3.25Å; A194-N199 WeakPolarHBondContact O-CB 3.34Å; A194-N199 PolarHBondContact O-N 3.23Å; A194-N199 PolarHBondContact O-ND2 3.14Å; A194-M201 HydrophobicContact CB-CE 3.59Å; A194-Y501 HydrophobicContact CB-CD1 3.61Å; A194-Y501 HydrophobicContact CB-CE1 3.54Å; A194-Y501 HydrophobicContact CB-CG 4.29Å
195	L	98.9	Very high	98.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-67.4	-41	179.9	-87.8	62	0	0	0	110.9	W89 L101 S191 C197 G198 M201 Y220 V225 L229	W89-L195 HydrophobicContact CZ2-CB 4.48Å; W89-L195 PolarHBondContact NE1-O 3.17Å; L101-L195 HydrophobicContact CD2-CB 4.1Å; L101-L195 HydrophobicContact CD2-CD2 4.19Å; S191-L195 WeakPolarHBondContact O-CB 3.23Å; S191-L195 WeakPolarHBondContact O-CD1 3.32Å; S191-L195 PolarHBondContact O-N 3.45Å; L195-C197 VanDerWaalsContact C-N 3.31Å; L195-C197 PolarHBondContact O-N 3.42Å; L195-G198 WeakPolarHBondContact O-CA 3.27Å; L195-G198 PolarHBondContact O-N 2.91Å; L195-M201 HydrophobicContact CD1-CB 4.3Å; L195-Y220 HydrophobicContact CD2-CD1 4.25Å; L195-Y220 HydrophobicContact CD2-CE1 4Å; L195-Y220 HydrophobicContact CD2-CE2 4.31Å; L195-V225 HydrophobicContact CD2-CG2 4.46Å; L195-L229 HydrophobicContact CD2-CD2 4.05Å; L195-L229 HydrophobicContact CG-CD2 3.84Å; L195-L229 HydrophobicContact CG-CG 4.5Å
196	A	98.9	Very high	98.9	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.008	1%	0.013	C	C	.	.	H	α-helix	trans	-58	-43.8	175.7	0	0	0	0	0	111.7	R97 L101 Y144 A148 M151 A192 G198	R97-A196 PolarHBondContact NE-O 2.96Å; R97-A196 PolarHBondContact NH2-O 3.37Å; L101-A196 HydrophobicContact CD1-CB 3.89Å; Y144-A196 WeakPolarHBondContact O-CB 3.5Å; A148-A196 HydrophobicContact CB-CB 4.2Å; M151-A196 WeakPolarHBondContact CE-O 3.33Å; A192-A196 VanDerWaalsContact O-CB 3.23Å; A192-A196 WeakPolarHBondContact O-CB 3.36Å; A192-A196 PolarHBondContact O-N 3.48Å; A196-G198 PolarHBondContact O-N 3.27Å
197	C	98.9	Very high	98.8	Very high	6 Å²	6	3 Å²	3	4%	0.041	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.7	175.2	-68	0	0	0	0	114	M151 P170 P193 A194 L195 N199 Y501	M151-C197 HydrophobicContact SD-CB 4.4Å; P170-C197 WeakPolarHBondContact CB-O 3.46Å; P193-C197 WeakPolarHBondContact O-CB 3.33Å; P193-C197 PolarHBondContact O-N 2.94Å; P193-C197 PolarHBondContact O-SG 3.41Å; A194-C197 PolarHBondContact O-N 3.2Å; L195-C197 VanDerWaalsContact C-N 3.31Å; L195-C197 PolarHBondContact O-N 3.42Å; C197-N199 WeakPolarHBondContact CB-ND2 3.4Å; C197-Y501 WeakPolarHBondContact CB-O 3.4Å
198	G	98.8	Very high	98.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	14.3	178.6	0	0	0	0	0	114.7	F86 W89 A194 L195 A196	F86-G198 WeakPolarHBondContact CD2-O 3.28Å; F86-G198 VanDerWaalsContact CE2-O 3.31Å; F86-G198 WeakPolarHBondContact CE2-O 3.48Å; W89-G198 VanDerWaalsContact CD1-C 3.5Å; A194-G198 PolarHBondContact O-N 2.92Å; L195-G198 WeakPolarHBondContact O-CA 3.27Å; L195-G198 PolarHBondContact O-N 2.91Å; A196-G198 PolarHBondContact O-N 3.27Å
199	N	98.9	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.			trans	-84.5	161.8	177.4	-55.6	-75.4	0	0	0	112.2	P170 L171 G172 A194 C197 Y501	P170-N199 WeakPolarHBondContact CB-OD1 3.38Å; L171-N199 WeakPolarHBondContact CA-OD1 3.45Å; L171-N199 PolarHBondContact N-OD1 2.8Å; G172-N199 PolarHBondContact N-OD1 3.3Å; G172-N199 WeakPolarHBondContact O-CA 3.47Å; G172-N199 WeakPolarHBondContact O-CB 3.48Å; A194-N199 HydrophobicContact CB-CB 4.35Å; A194-N199 VanDerWaalsContact O-CB 3.25Å; A194-N199 WeakPolarHBondContact O-CB 3.34Å; A194-N199 PolarHBondContact O-N 3.23Å; A194-N199 PolarHBondContact O-ND2 3.14Å; C197-N199 WeakPolarHBondContact CB-ND2 3.4Å; N199-Y501 PolarHBondContact ND2-O 3.11Å
200	A	98.9	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	157.2	159.2	0	0	0	0	0	109.7	A82 F86 G172 C174 L229	A82-A200 HydrophobicContact CB-CB 3.86Å; A82-A200 VanDerWaalsContact O-CB 3.25Å; A82-A200 WeakPolarHBondContact O-CB 3.35Å; F86-A200 HydrophobicContact CB-CB 4.02Å; G172-A200 PolarHBondContact O-N 2.95Å; C174-A200 PolarHBondContact N-O 3.01Å; A200-L229 CarbonylContact C-O 3.43Å; A200-L229 WeakPolarHBondContact CA-O 3.46Å; A200-L229 HydrophobicContact CB-CD1 3.76Å; A200-L229 HydrophobicContact CB-CG 4.36Å
201	M	98.9	Very high	98.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.4	177.5	179.7	166.8	-74.3	0	0	112.9	C174 K190 A194 L195 F203 L229 F230 N231 Y501	C174-M201 HydrophobicContact CB-CE 4.21Å; C174-M201 CarbonylContact O-C 3.54Å; C174-M201 VanDerWaalsContact O-CA 3.26Å; C174-M201 WeakPolarHBondContact O-CA 3.47Å; K190-M201 HydrophobicContact CB-CE 4.05Å; K190-M201 HydrophobicContact CB-SD 4.1Å; K190-M201 WeakPolarHBondContact O-CE 3.34Å; A194-M201 HydrophobicContact CB-CE 3.59Å; L195-M201 HydrophobicContact CD1-CB 4.3Å; M201-F203 HydrophobicContact CG-CB 4.44Å; M201-F203 HydrophobicContact SD-CD2 4.46Å; M201-L229 PolarHBondContact N-O 3.41Å; M201-F230 HydrophobicContact CB-CD2 4.02Å; M201-F230 HydrophobicContact CB-CE2 4.43Å; M201-F230 HydrophobicContact CG-CD2 4.19Å; M201-F230 HydrophobicContact CG-CE2 4.1Å; M201-F230 WeakPolarHBondContact O-CA 3.47Å; M201-F230 HydrophobicContact SD-CD2 4.49Å; M201-F230 HydrophobicContact SD-CE2 4.02Å; M201-N231 PolarHBondContact O-N 3.36Å; M201-Y501 HydrophobicContact CE-CE1 4.11Å
202	V	98.9	Very high	98.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.8	161	-176.1	0	0	0	0	107.6	A78 V79 A82 V173 C174 V175 G176 N231 V233 L243	A78-V202 HydrophobicContact CB-CG1 4.05Å; A78-V202 HydrophobicContact CB-CG2 4.34Å; V79-V202 HydrophobicContact CG2-CG2 4.16Å; A82-V202 HydrophobicContact CB-CG2 3.89Å; V173-V202 HydrophobicContact CG1-CG2 4.23Å; C174-V202 PolarHBondContact O-N 3.34Å; V175-V202 VanDerWaalsContact CA-O 3.31Å; V175-V202 WeakPolarHBondContact CA-O 3.47Å; V175-V202 HydrophobicContact CG2-CB 4.49Å; G176-V202 PolarHBondContact N-O 2.87Å; V202-N231 HydrophobicContact CG2-CB 4.44Å; V202-V233 HydrophobicContact CG1-CG1 4.24Å; V202-V233 HydrophobicContact CG1-CG2 3.9Å; V202-L243 HydrophobicContact CB-CD2 4.24Å; V202-L243 HydrophobicContact CG1-CD2 3.66Å
203	F	98.9	Very high	98.4	Very high	1 Å²	1	6.4 Å²	6.4	0%	0.004	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.7	-177.5	-173.6	-101.2	0	0	0	111.1	G176 A187 K190 M201 P205 A213 F230 N231 V232 V233	G176-F203 CarbonylContact O-C 3.4Å; G176-F203 VanDerWaalsContact O-CA 3.28Å; G176-F203 WeakPolarHBondContact O-CA 3.49Å; G176-F203 WeakPolarHBondContact O-CD2 3.34Å; A187-F203 HydrophobicContact CB-CD1 4.26Å; A187-F203 HydrophobicContact CB-CE1 3.7Å; A187-F203 HydrophobicContact CB-CE2 4.11Å; A187-F203 HydrophobicContact CB-CZ 3.62Å; K190-F203 HydrophobicContact CD-CE2 4.2Å; M201-F203 HydrophobicContact CG-CB 4.44Å; M201-F203 HydrophobicContact SD-CD2 4.46Å; F203-P205 HydrophobicContact CD1-CB 4.48Å; F203-P205 HydrophobicContact CE1-CB 3.89Å; F203-A213 HydrophobicContact CD1-CB 4.05Å; F203-A213 HydrophobicContact CE1-CB 3.88Å; F203-F230 HydrophobicContact CB-CE2 3.72Å; F203-F230 HydrophobicContact CB-CZ 3.62Å; F203-F230 HydrophobicContact CD1-CZ 4.39Å; F203-F230 HydrophobicContact CG-CE2 4.37Å; F203-F230 HydrophobicContact CG-CZ 4.06Å; F203-N231 PolarHBondContact N-O 2.72Å; F203-V232 VanDerWaalsContact O-CA 3.3Å; F203-V232 WeakPolarHBondContact O-CA 3.41Å; F203-V233 PolarHBondContact O-N 3.27Å
204	K	98.8	Very high	98.3	Very high	12 Å²	12	6.4 Å²	6.4	5%	0.052	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	103.2	173.1	-166.4	-151.8	74	66.4	0	109.3	G176 I177 G178 V233 G235 T239 L243	G176-K204 PolarHBondContact O-N 3.22Å; I177-K204 HydrophobicContact CG1-CB 4.36Å; G178-K204 PolarHBondContact N-O 2.78Å; K204-V233 WeakPolarHBondContact CA-O 3.44Å; K204-V233 HydrophobicContact CB-CG2 4.32Å; K204-V233 HydrophobicContact CG-CG2 4.43Å; K204-V233 VanDerWaalsContact CG-O 3.28Å; K204-V233 WeakPolarHBondContact CG-O 3.22Å; K204-G235 WeakPolarHBondContact CD-O 3.3Å; K204-G235 PolarHBondContact NZ-O 3.36Å; K204-T239 HydrophobicContact CD-CG2 4.16Å; K204-T239 HydrophobicContact CG-CG2 4.35Å; K204-L243 HydrophobicContact CB-CD1 3.75Å; K204-L243 HydrophobicContact CD-CD1 4.26Å; K204-L243 HydrophobicContact CG-CD1 4.26Å
205	P	98.8	Very high	98.3	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.013	4%	0.038	C	C	.	.			trans	-64.7	167.3	174	29.3	-35.5	0	0	0	110.6	F203 A213 V232 Q234	F203-P205 HydrophobicContact CD1-CB 4.48Å; F203-P205 HydrophobicContact CE1-CB 3.89Å; P205-A213 HydrophobicContact CB-CB 4.14Å; P205-A213 HydrophobicContact CG-CB 4.33Å; P205-V232 HydrophobicContact CG-CG1 4.12Å; P205-Q234 VanDerWaalsContact CG-OE1 3.23Å
206	S	98.5	Very high	98.3	Very high	8 Å²	8	7.4 Å²	7.4	6%	0.056	4%	0.038	C	C	.	.			trans	-62.8	140.6	167.4	177	0	0	0	0	110.1	W180 F208 T209	W180-S206 WeakPolarHBondContact CB-OG 3.44Å; S206-F208 PolarHBondContact O-N 2.92Å; S206-F208 VanDerWaalsContact O-N 3.1Å; S206-F208 PolarHBondContact OG-N 3.17Å; S206-T209 CarbonylContact O-C 3.56Å; S206-T209 PolarHBondContact O-N 3.47Å
207	P	97.6	Very high	98.3	Very high	18 Å²	18	7.4 Å²	7.4	12%	0.117	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.8	175.6	27.3	-35.8	0	0	0	113.4	E53 F67	E53-P207 HydrophobicContact CG-CB 4.41Å; F67-P207 HydrophobicContact CZ-CB 4.04Å
208	F	98.3	Very high	98.3	Very high	79 Å²	79	9.1 Å²	9.1	35%	0.346	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-27.1	175.4	-53.8	-25.2	0	0	0	112.6	N122 W180 S206 P210 I355 N356	N122-F208 PolarHBondContact ND2-O 2.94Å; W180-F208 HydrophobicContact CB-CB 4.19Å; W180-F208 HydrophobicContact CB-CD2 4.41Å; W180-F208 AromaticContact CD1-CD2 3.65Å; W180-F208 AromaticContact CG-CD2 3.98Å; W180-F208 HydrophobicContact CG-CD2 3.98Å; S206-F208 PolarHBondContact O-N 2.92Å; S206-F208 VanDerWaalsContact O-N 3.1Å; S206-F208 PolarHBondContact OG-N 3.17Å; F208-P210 VanDerWaalsContact C-CD 3.5Å; F208-I355 HydrophobicContact CB-CD1 4.34Å; F208-I355 HydrophobicContact CB-CG1 3.98Å; F208-I355 HydrophobicContact CD2-CG1 4.31Å; F208-N356 WeakPolarHBondContact CD2-ND2 3.44Å; F208-N356 WeakPolarHBondContact CE2-ND2 3.38Å; F208-N356 WeakPolarHBondContact CZ-ND2 3.3Å
209	T	98.1	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-132.7	63.2	-176.1	56.2	0	0	0	0	111.7	N122 N123 W180 P183 S206 V211 I355	N122-T209 VanDerWaalsContact OD1-C 3.3Å; N122-T209 VanDerWaalsContact OD1-CA 3.23Å; N122-T209 WeakPolarHBondContact OD1-CA 3.29Å; N123-T209 HydrophobicContact CB-CG2 4.19Å; W180-T209 WeakPolarHBondContact CA-OG1 3.47Å; W180-T209 HydrophobicContact CB-CG2 3.93Å; W180-T209 WeakPolarHBondContact O-CG2 3.28Å; P183-T209 VanDerWaalsContact CG-CB 3.42Å; P183-T209 HydrophobicContact CG-CG2 3.71Å; P183-T209 WeakPolarHBondContact CG-OG1 3.31Å; S206-T209 CarbonylContact O-C 3.56Å; S206-T209 PolarHBondContact O-N 3.47Å; T209-V211 VanDerWaalsContact C-N 3.34Å; T209-V211 PolarHBondContact O-N 3.26Å; T209-I355 HydrophobicContact CG2-CD1 3.73Å
210	P	97.4	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.			trans	-82.2	-8.8	-169.1	34.3	-37.8	0	0	0	114	L36 A55 F67 N122 F208 Q234	L36-P210 HydrophobicContact CD1-CB 4.02Å; L36-P210 HydrophobicContact CD1-CG 3.82Å; A55-P210 HydrophobicContact CB-CG 3.79Å; F67-P210 HydrophobicContact CD1-CG 4.31Å; F67-P210 HydrophobicContact CE1-CB 4.24Å; F67-P210 HydrophobicContact CE1-CG 3.82Å; F67-P210 HydrophobicContact CZ-CB 4.21Å; F67-P210 HydrophobicContact CZ-CG 4.25Å; N122-P210 WeakPolarHBondContact OD1-CD 3.27Å; F208-P210 VanDerWaalsContact C-CD 3.5Å; P210-Q234 PolarHBondContact O-NE2 3.19Å
211	V	96.5	Very high	98.3	Very high	7 Å²	7	11.8 Å²	11.8	4%	0.042	6%	0.061	C	C	.	.	S	Bend	trans	-88.3	-53.3	-160.7	-175.1	0	0	0	0	113.4	F30 V32 I64 V118 N122 T209 A213 L214	F30-V211 HydrophobicContact CZ-CG1 4.29Å; V32-V211 HydrophobicContact CG2-CG1 4.07Å; V32-V211 HydrophobicContact CG2-CG2 3.94Å; I64-V211 HydrophobicContact CD1-CG2 4.44Å; V118-V211 HydrophobicContact CG1-CB 4.2Å; V118-V211 HydrophobicContact CG1-CG1 3.66Å; N122-V211 WeakPolarHBondContact OD1-CG2 3.34Å; N122-V211 PolarHBondContact OD1-N 3.48Å; T209-V211 VanDerWaalsContact C-N 3.34Å; T209-V211 PolarHBondContact O-N 3.26Å; V211-A213 VanDerWaalsContact C-N 3.33Å; V211-A213 PolarHBondContact O-N 3.43Å; V211-L214 WeakPolarHBondContact O-CB 3.43Å; V211-L214 PolarHBondContact O-N 3.26Å; V211-L214 VanDerWaalsContact O-N 3.08Å
212	S	96.9	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67	-29.8	-168.3	56.2	0	0	0	0	113.9	E119 F184 L214 L215 L216	E119-S212 WeakPolarHBondContact OE2-CB 3.38Å; E119-S212 PolarHBondContact OE2-OG 3.45Å; F184-S212 WeakPolarHBondContact CD2-O 3.25Å; S212-L214 PolarHBondContact O-N 3.26Å; S212-L214 VanDerWaalsContact O-N 3.13Å; S212-L215 WeakPolarHBondContact O-CB 3.16Å; S212-L215 PolarHBondContact O-N 2.97Å; S212-L216 PolarHBondContact O-N 3.02Å
213	A	97.4	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.8	-23.5	174	0	0	0	0	0	113.5	A187 F203 P205 V211 A217	A187-A213 HydrophobicContact CB-CB 4.49Å; F203-A213 HydrophobicContact CD1-CB 4.05Å; F203-A213 HydrophobicContact CE1-CB 3.88Å; P205-A213 HydrophobicContact CB-CB 4.14Å; P205-A213 HydrophobicContact CG-CB 4.33Å; V211-A213 VanDerWaalsContact C-N 3.33Å; V211-A213 PolarHBondContact O-N 3.43Å; A213-A217 PolarHBondContact O-N 2.83Å
214	L	97.7	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-74.9	-35.8	175.9	-60	167.8	0	0	0	111.9	L36 V211 S212 L216 A217 E218 V232	L36-L214 HydrophobicContact CB-CD1 4.02Å; L36-L214 HydrophobicContact CD2-CD1 3.57Å; L36-L214 HydrophobicContact CG-CD1 4.39Å; L36-L214 WeakPolarHBondContact O-CD1 3.43Å; L36-L214 WeakPolarHBondContact O-CD2 3.42Å; V211-L214 WeakPolarHBondContact O-CB 3.43Å; V211-L214 PolarHBondContact O-N 3.26Å; V211-L214 VanDerWaalsContact O-N 3.08Å; S212-L214 PolarHBondContact O-N 3.26Å; S212-L214 VanDerWaalsContact O-N 3.13Å; L214-L216 VanDerWaalsContact C-N 3.26Å; L214-L216 PolarHBondContact O-N 3.24Å; L214-A217 WeakPolarHBondContact O-CB 3.25Å; L214-A217 PolarHBondContact O-N 2.79Å; L214-A217 VanDerWaalsContact O-N 3.12Å; L214-E218 WeakPolarHBondContact O-CG 3.2Å; L214-E218 PolarHBondContact O-N 2.82Å; L214-V232 HydrophobicContact CD2-CB 3.77Å; L214-V232 HydrophobicContact CD2-CG1 3.72Å; L214-V232 HydrophobicContact CD2-CG2 4.23Å
215	L	98.3	Very high	98.2	Very high	21 Å²	21	19 Å²	19	11%	0.11	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-41.3	173.6	-56.3	179.3	0	0	0	109.9	I115 V118 F184 S212 A217 E218 I219	I115-L215 HydrophobicContact CG1-CD1 4.25Å; I115-L215 HydrophobicContact CG2-CD1 4.4Å; V118-L215 HydrophobicContact CB-CD1 4.19Å; V118-L215 HydrophobicContact CG1-CD1 4.19Å; V118-L215 HydrophobicContact CG2-CD1 4.16Å; F184-L215 HydrophobicContact CE2-CB 4.49Å; S212-L215 WeakPolarHBondContact O-CB 3.16Å; S212-L215 PolarHBondContact O-N 2.97Å; L215-A217 VanDerWaalsContact C-N 3.32Å; L215-A217 PolarHBondContact O-N 2.97Å; L215-E218 PolarHBondContact O-N 3.2Å; L215-I219 WeakPolarHBondContact O-CB 3.48Å; L215-I219 WeakPolarHBondContact O-CD1 3.49Å; L215-I219 WeakPolarHBondContact O-CG1 3.22Å; L215-I219 PolarHBondContact O-N 3.5Å
216	L	98.8	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-41.6	174.3	-177.4	60.4	0	0	0	112	I108 F184 A187 S212 L214 I219 Y220 F230	I108-L216 HydrophobicContact CD1-CD1 3.95Å; F184-L216 HydrophobicContact CD2-CB 4.28Å; F184-L216 HydrophobicContact CE2-CB 3.66Å; F184-L216 HydrophobicContact CE2-CD1 4.42Å; F184-L216 HydrophobicContact CZ-CB 4.13Å; F184-L216 HydrophobicContact CZ-CD1 4.01Å; A187-L216 HydrophobicContact CB-CD2 3.69Å; S212-L216 PolarHBondContact O-N 3.02Å; L214-L216 VanDerWaalsContact C-N 3.26Å; L214-L216 PolarHBondContact O-N 3.24Å; L216-I219 PolarHBondContact O-N 3.19Å; L216-Y220 HydrophobicContact CD1-CD2 4.15Å; L216-Y220 HydrophobicContact CD1-CE2 3.69Å; L216-Y220 HydrophobicContact CD2-CE2 3.93Å; L216-Y220 HydrophobicContact CG-CD2 3.92Å; L216-Y220 HydrophobicContact CG-CE2 3.55Å; L216-Y220 VanDerWaalsContact O-CD2 3.29Å; L216-Y220 WeakPolarHBondContact O-CD2 3.28Å; L216-Y220 PolarHBondContact O-N 3.1Å; L216-F230 HydrophobicContact CD2-CE1 4.44Å; L216-F230 HydrophobicContact CD2-CZ 4.22Å; L216-F230 HydrophobicContact CG-CE1 4.44Å
217	A	98.8	Very high	98.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-65.2	-39.6	178.2	0	0	0	0	0	112.8	Y38 A213 L214 L215 Y220 T221 F230 V232	Y38-A217 HydrophobicContact CD1-CB 3.51Å; Y38-A217 HydrophobicContact CD2-CB 4.22Å; Y38-A217 HydrophobicContact CE1-CB 3.84Å; Y38-A217 HydrophobicContact CG-CB 3.7Å; A213-A217 PolarHBondContact O-N 2.83Å; L214-A217 WeakPolarHBondContact O-CB 3.25Å; L214-A217 PolarHBondContact O-N 2.79Å; L214-A217 VanDerWaalsContact O-N 3.12Å; L215-A217 VanDerWaalsContact C-N 3.32Å; L215-A217 PolarHBondContact O-N 2.97Å; A217-Y220 PolarHBondContact O-N 3.06Å; A217-T221 PolarHBondContact O-N 3.35Å; A217-T221 VanDerWaalsContact O-N 3.16Å; A217-T221 PolarHBondContact O-OG1 2.94Å; A217-F230 HydrophobicContact CB-CD1 3.65Å; A217-F230 HydrophobicContact CB-CE1 3.9Å; A217-V232 HydrophobicContact CB-CG2 3.96Å
218	E	98.7	Very high	98.2	Very high	43 Å²	43	22.8 Å²	22.8	20%	0.201	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-43.9	175.2	-71.2	171.7	148.9	0	0	111.7	Y38 R43 L214 L215 Y220 T221 E222	Y38-E218 HydrophobicContact CD2-CG 4.26Å; Y38-E218 HydrophobicContact CE2-CG 3.66Å; R43-E218 IonicContact CZ-OE1 3.29Å; R43-E218 VanDerWaalsContact CZ-OE1 3.29Å; R43-E218 IonicContact CZ-OE2 3.72Å; R43-E218 IonicContact NE-OE1 2.67Å; R43-E218 PolarHBondContact NE-OE1 3.24Å; R43-E218 IonicContact NE-OE2 3.72Å; R43-E218 IonicContact NH2-OE1 3.08Å; R43-E218 PolarHBondContact NH2-OE1 3.2Å; R43-E218 VanDerWaalsContact NH2-OE1 3.08Å; R43-E218 IonicContact NH2-OE2 2.67Å; R43-E218 PolarHBondContact NH2-OE2 3.23Å; L214-E218 WeakPolarHBondContact O-CG 3.2Å; L214-E218 PolarHBondContact O-N 2.82Å; L215-E218 PolarHBondContact O-N 3.2Å; E218-Y220 VanDerWaalsContact C-N 3.33Å; E218-Y220 PolarHBondContact O-N 2.61Å; E218-T221 PolarHBondContact O-N 2.78Å; E218-E222 PolarHBondContact O-N 3.05Å
219	I	98.9	Very high	98.2	Very high	3 Å²	3	19 Å²	19	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-41.9	176.3	-70.3	166.8	0	0	0	111.1	A104 I107 I108 I115 L215 L216 T221 E222 A223	A104-I219 HydrophobicContact CB-CG2 4.29Å; I107-I219 HydrophobicContact CB-CG2 3.88Å; I107-I219 HydrophobicContact CD1-CG2 4.49Å; I107-I219 HydrophobicContact CG2-CB 4.38Å; I107-I219 HydrophobicContact CG2-CD1 4.44Å; I107-I219 HydrophobicContact CG2-CG1 3.9Å; I107-I219 HydrophobicContact CG2-CG2 3.81Å; I108-I219 HydrophobicContact CG1-CD1 3.92Å; I108-I219 HydrophobicContact CG1-CG2 4.01Å; I115-I219 HydrophobicContact CD1-CD1 3.83Å; L215-I219 WeakPolarHBondContact O-CB 3.48Å; L215-I219 WeakPolarHBondContact O-CD1 3.49Å; L215-I219 WeakPolarHBondContact O-CG1 3.22Å; L215-I219 PolarHBondContact O-N 3.5Å; L216-I219 PolarHBondContact O-N 3.19Å; I219-T221 VanDerWaalsContact C-N 3.33Å; I219-T221 PolarHBondContact O-N 2.6Å; I219-E222 PolarHBondContact O-N 2.93Å; I219-A223 WeakPolarHBondContact O-CB 3.36Å; I219-A223 PolarHBondContact O-N 3.24Å
220	Y	98.9	Very high	98.3	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-45.7	174.7	-81.8	-43.4	0	0	0	111.7	L101 A104 L141 S191 L195 L216 A217 E218 E222 A223 G224 V225 F230	L101-Y220 HydrophobicContact CD2-CE1 4.07Å; A104-Y220 HydrophobicContact CB-CD1 3.88Å; A104-Y220 HydrophobicContact CB-CE1 4.02Å; L141-Y220 HydrophobicContact CD2-CE1 3.67Å; S191-Y220 PolarHBondContact OG-OH 3.38Å; L195-Y220 HydrophobicContact CD2-CD1 4.25Å; L195-Y220 HydrophobicContact CD2-CE1 4Å; L195-Y220 HydrophobicContact CD2-CE2 4.31Å; L216-Y220 HydrophobicContact CD1-CD2 4.15Å; L216-Y220 HydrophobicContact CD1-CE2 3.69Å; L216-Y220 HydrophobicContact CD2-CE2 3.93Å; L216-Y220 HydrophobicContact CG-CD2 3.92Å; L216-Y220 HydrophobicContact CG-CE2 3.55Å; L216-Y220 VanDerWaalsContact O-CD2 3.29Å; L216-Y220 WeakPolarHBondContact O-CD2 3.28Å; L216-Y220 PolarHBondContact O-N 3.1Å; A217-Y220 PolarHBondContact O-N 3.06Å; E218-Y220 VanDerWaalsContact C-N 3.33Å; E218-Y220 PolarHBondContact O-N 2.61Å; Y220-E222 PolarHBondContact O-N 3.13Å; Y220-A223 PolarHBondContact O-N 2.67Å; Y220-G224 PolarHBondContact O-N 2.87Å; Y220-V225 HydrophobicContact CD1-CG2 3.78Å; Y220-V225 HydrophobicContact CG-CG2 4.09Å; Y220-V225 WeakPolarHBondContact O-CB 3.42Å; Y220-V225 VanDerWaalsContact O-CG2 3.31Å; Y220-V225 WeakPolarHBondContact O-CG2 3.35Å; Y220-V225 PolarHBondContact O-N 2.72Å; Y220-F230 HydrophobicContact CD2-CB 3.92Å; Y220-F230 AromaticContact CD2-CD1 3.8Å; Y220-F230 HydrophobicContact CD2-CD1 3.8Å; Y220-F230 HydrophobicContact CD2-CD2 4.38Å; Y220-F230 HydrophobicContact CD2-CE1 4.4Å; Y220-F230 AromaticContact CD2-CG 3.77Å; Y220-F230 HydrophobicContact CD2-CG 3.77Å; Y220-F230 HydrophobicContact CE2-CB 4.49Å; Y220-F230 HydrophobicContact CE2-CD1 4.23Å; Y220-F230 HydrophobicContact CE2-CD2 4.2Å; Y220-F230 HydrophobicContact CE2-CG 4.05Å
221	T	98.5	Very high	98.3	Very high	51 Å²	51	19.3 Å²	19.3	31%	0.313	12%	0.118	S	C	.	.	H	α-helix	trans	-61.8	-43.5	176.3	-65.7	0	0	0	0	111.8	Y38 A217 E218 I219 A223 G224	Y38-T221 VanDerWaalsContact OH-CB 3.25Å; Y38-T221 WeakPolarHBondContact OH-CB 3.3Å; Y38-T221 PolarHBondContact OH-OG1 3.45Å; A217-T221 PolarHBondContact O-N 3.35Å; A217-T221 VanDerWaalsContact O-N 3.16Å; A217-T221 PolarHBondContact O-OG1 2.94Å; E218-T221 PolarHBondContact O-N 2.78Å; I219-T221 VanDerWaalsContact C-N 3.33Å; I219-T221 PolarHBondContact O-N 2.6Å; T221-A223 VanDerWaalsContact C-N 3.32Å; T221-A223 PolarHBondContact O-N 2.83Å; T221-G224 PolarHBondContact O-N 3.2Å; T221-G224 VanDerWaalsContact O-N 3.11Å
222	E	98.6	Very high	98.4	Very high	104 Å²	104	19 Å²	19	49%	0.486	12%	0.116	S	C	.	.	H	α-helix	trans	-60.1	-40.1	175.6	-173.1	176	170.1	0	0	112.1	I107 R111 E218 I219 Y220 G224	I107-E222 HydrophobicContact CD1-CB 4.19Å; I107-E222 HydrophobicContact CD1-CG 3.89Å; R111-E222 IonicContact CZ-OE1 3.87Å; R111-E222 IonicContact CZ-OE2 3.18Å; R111-E222 IonicContact NH1-OE2 2.81Å; R111-E222 PolarHBondContact NH1-OE2 2.83Å; R111-E222 IonicContact NH2-OE1 2.88Å; R111-E222 PolarHBondContact NH2-OE1 3.49Å; R111-E222 IonicContact NH2-OE2 2.78Å; R111-E222 PolarHBondContact NH2-OE2 2.97Å; E218-E222 PolarHBondContact O-N 3.05Å; I219-E222 PolarHBondContact O-N 2.93Å; Y220-E222 PolarHBondContact O-N 3.13Å; E222-G224 PolarHBondContact O-N 3.27Å
223	A	98.7	Very high	98.5	Very high	11 Å²	11	19 Å²	19	9%	0.091	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.9	177.2	0	0	0	0	0	114.3	E103 A104 I107 I219 Y220 T221	E103-A223 HydrophobicContact CB-CB 4.17Å; E103-A223 HydrophobicContact CG-CB 4Å; A104-A223 HydrophobicContact CB-CB 3.73Å; I107-A223 HydrophobicContact CD1-CB 4.12Å; I219-A223 WeakPolarHBondContact O-CB 3.36Å; I219-A223 PolarHBondContact O-N 3.24Å; Y220-A223 PolarHBondContact O-N 2.67Å; T221-A223 VanDerWaalsContact C-N 3.32Å; T221-A223 PolarHBondContact O-N 2.83Å
224	G	98.5	Very high	98.6	Very high	43 Å²	43	19 Å²	19	44%	0.443	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	18.5	179.4	0	0	0	0	0	114.7	Y220 T221 E222	Y220-G224 PolarHBondContact O-N 2.87Å; T221-G224 PolarHBondContact O-N 3.2Å; T221-G224 VanDerWaalsContact O-N 3.11Å; E222-G224 PolarHBondContact O-N 3.27Å
225	V	98.3	Very high	98.6	Very high	6 Å²	6	19 Å²	19	4%	0.036	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-61.4	132.8	166.3	171.6	0	0	0	0	109.3	I100 L195 Y220 L229	I100-V225 HydrophobicContact CG2-CB 4.49Å; I100-V225 HydrophobicContact CG2-CG2 3.56Å; L195-V225 HydrophobicContact CD2-CG2 4.46Å; Y220-V225 HydrophobicContact CD1-CG2 3.78Å; Y220-V225 HydrophobicContact CG-CG2 4.09Å; Y220-V225 WeakPolarHBondContact O-CB 3.42Å; Y220-V225 VanDerWaalsContact O-CG2 3.31Å; Y220-V225 WeakPolarHBondContact O-CG2 3.35Å; Y220-V225 PolarHBondContact O-N 2.72Å; V225-L229 HydrophobicContact CG1-CB 3.4Å; V225-L229 VanDerWaalsContact CG1-CB 3.4Å; V225-L229 HydrophobicContact CG1-CD2 3.52Å; V225-L229 HydrophobicContact CG1-CG 4.05Å
226	P	98.5	Very high	98.5	Very high	15 Å²	15	18.9 Å²	18.9	10%	0.097	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-54.7	138.5	179.6	-28	34.9	0	0	0	112.7	A85 I88 W89 G228 L229	A85-P226 HydrophobicContact CB-CB 4.42Å; I88-P226 HydrophobicContact CG2-CG 4.33Å; W89-P226 HydrophobicContact CE3-CG 3.88Å; P226-G228 PolarHBondContact O-N 3.18Å; P226-L229 WeakPolarHBondContact O-CB 3.26Å; P226-L229 PolarHBondContact O-N 2.82Å
227	P	98.4	Very high	98.4	Very high	92 Å²	92	23.2 Å²	23.2	60%	0.597	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	124.8	177.9	-28.2	35	0	0	0	111.8
228	G	98.1	Very high	98.3	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	3.7	-178.3	0	0	0	0	0	115.3	A82 A85 P226 N231	A82-G228 WeakPolarHBondContact CA-O 3.48Å; A82-G228 PolarHBondContact N-O 2.69Å; A85-G228 VanDerWaalsContact CB-C 3.49Å; P226-G228 PolarHBondContact O-N 3.18Å; G228-N231 WeakPolarHBondContact CA-OD1 3.42Å; G228-N231 PolarHBondContact O-ND2 2.93Å
229	L	98.8	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-69.7	-38.3	174.7	-165.2	75.5	0	0	0	112.2	A85 W89 L195 A200 M201 V225 P226	A85-L229 HydrophobicContact CB-CB 3.96Å; A85-L229 HydrophobicContact CB-CD1 3.89Å; A85-L229 VanDerWaalsContact CB-N 3.34Å; W89-L229 HydrophobicContact CB-CD1 3.37Å; W89-L229 HydrophobicContact CB-CD2 4.09Å; W89-L229 HydrophobicContact CB-CG 4.38Å; W89-L229 HydrophobicContact CD2-CD1 4.37Å; W89-L229 HydrophobicContact CD2-CD2 3.38Å; W89-L229 HydrophobicContact CE3-CD2 3.9Å; W89-L229 HydrophobicContact CG-CD1 3.58Å; W89-L229 HydrophobicContact CG-CD2 3.45Å; W89-L229 VanDerWaalsContact CG-CD2 3.45Å; W89-L229 HydrophobicContact CG-CG 4.17Å; W89-L229 HydrophobicContact CZ2-CD2 4.21Å; W89-L229 HydrophobicContact CZ3-CD2 4.48Å; L195-L229 HydrophobicContact CD2-CD2 4.05Å; L195-L229 HydrophobicContact CG-CD2 3.84Å; L195-L229 HydrophobicContact CG-CG 4.5Å; A200-L229 CarbonylContact C-O 3.43Å; A200-L229 WeakPolarHBondContact CA-O 3.46Å; A200-L229 HydrophobicContact CB-CD1 3.76Å; A200-L229 HydrophobicContact CB-CG 4.36Å; M201-L229 PolarHBondContact N-O 3.41Å; V225-L229 HydrophobicContact CG1-CB 3.4Å; V225-L229 VanDerWaalsContact CG1-CB 3.4Å; V225-L229 HydrophobicContact CG1-CD2 3.52Å; V225-L229 HydrophobicContact CG1-CG 4.05Å; P226-L229 WeakPolarHBondContact O-CB 3.26Å; P226-L229 PolarHBondContact O-N 2.82Å
230	F	98.9	Very high	98.3	Very high	5 Å²	5	23.3 Å²	23.3	2%	0.022	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.8	171	-172.5	-100.9	0	0	0	108.4	M201 F203 L216 A217 Y220 V232	M201-F230 HydrophobicContact CB-CD2 4.02Å; M201-F230 HydrophobicContact CB-CE2 4.43Å; M201-F230 HydrophobicContact CG-CD2 4.19Å; M201-F230 HydrophobicContact CG-CE2 4.1Å; M201-F230 WeakPolarHBondContact O-CA 3.47Å; M201-F230 HydrophobicContact SD-CD2 4.49Å; M201-F230 HydrophobicContact SD-CE2 4.02Å; F203-F230 HydrophobicContact CB-CE2 3.72Å; F203-F230 HydrophobicContact CB-CZ 3.62Å; F203-F230 HydrophobicContact CD1-CZ 4.39Å; F203-F230 HydrophobicContact CG-CE2 4.37Å; F203-F230 HydrophobicContact CG-CZ 4.06Å; L216-F230 HydrophobicContact CD2-CE1 4.44Å; L216-F230 HydrophobicContact CD2-CZ 4.22Å; L216-F230 HydrophobicContact CG-CE1 4.44Å; A217-F230 HydrophobicContact CB-CD1 3.65Å; A217-F230 HydrophobicContact CB-CE1 3.9Å; Y220-F230 HydrophobicContact CD2-CB 3.92Å; Y220-F230 AromaticContact CD2-CD1 3.8Å; Y220-F230 HydrophobicContact CD2-CD1 3.8Å; Y220-F230 HydrophobicContact CD2-CD2 4.38Å; Y220-F230 HydrophobicContact CD2-CE1 4.4Å; Y220-F230 AromaticContact CD2-CG 3.77Å; Y220-F230 HydrophobicContact CD2-CG 3.77Å; Y220-F230 HydrophobicContact CE2-CB 4.49Å; Y220-F230 HydrophobicContact CE2-CD1 4.23Å; Y220-F230 HydrophobicContact CE2-CD2 4.2Å; Y220-F230 HydrophobicContact CE2-CG 4.05Å; F230-V232 HydrophobicContact CD1-CG2 4.31Å; F230-V232 HydrophobicContact CE1-CG2 3.7Å; F230-V232 HydrophobicContact CZ-CG2 4.36Å
231	N	98.9	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	149.6	176.5	-51.8	-88.4	0	0	0	109.4	Y38 R39 G40 A78 M201 V202 F203 G228	Y38-N231 CarbonylContact O-C 3.55Å; Y38-N231 VanDerWaalsContact O-CA 3.29Å; Y38-N231 WeakPolarHBondContact O-CA 3.33Å; Y38-N231 WeakPolarHBondContact O-CB 3.4Å; R39-N231 WeakPolarHBondContact CA-OD1 3.11Å; G40-N231 PolarHBondContact N-OD1 3.31Å; G40-N231 VanDerWaalsContact N-OD1 3.09Å; A78-N231 HydrophobicContact CB-CB 4.25Å; A78-N231 PolarHBondContact O-ND2 3.11Å; M201-N231 PolarHBondContact O-N 3.36Å; V202-N231 HydrophobicContact CG2-CB 4.44Å; F203-N231 PolarHBondContact N-O 2.72Å; G228-N231 WeakPolarHBondContact CA-OD1 3.42Å; G228-N231 PolarHBondContact O-ND2 2.93Å
232	V	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.5	175.1	-178.1	0	0	0	0	108.9	Y38 F203 P205 L214 A217 F230	Y38-V232 PolarHBondContact N-O 3.19Å; Y38-V232 PolarHBondContact O-N 3.44Å; F203-V232 VanDerWaalsContact O-CA 3.3Å; F203-V232 WeakPolarHBondContact O-CA 3.41Å; P205-V232 HydrophobicContact CG-CG1 4.12Å; L214-V232 HydrophobicContact CD2-CB 3.77Å; L214-V232 HydrophobicContact CD2-CG1 3.72Å; L214-V232 HydrophobicContact CD2-CG2 4.23Å; A217-V232 HydrophobicContact CB-CG2 3.96Å; F230-V232 HydrophobicContact CD1-CG2 4.31Å; F230-V232 HydrophobicContact CE1-CG2 3.7Å; F230-V232 HydrophobicContact CZ-CG2 4.36Å
233	V	98.8	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	16%	0.156	C	C	.	.			trans	-115.7	139.6	171.5	-65	0	0	0	0	110	N37 V75 A78 V202 F203 K204 T239 L243	N37-V233 VanDerWaalsContact OD1-CA 3.3Å; N37-V233 WeakPolarHBondContact OD1-CA 3.41Å; V75-V233 HydrophobicContact CG2-CG2 4.49Å; A78-V233 HydrophobicContact CB-CG1 3.61Å; V202-V233 HydrophobicContact CG1-CG1 4.24Å; V202-V233 HydrophobicContact CG1-CG2 3.9Å; F203-V233 PolarHBondContact O-N 3.27Å; K204-V233 WeakPolarHBondContact CA-O 3.44Å; K204-V233 HydrophobicContact CB-CG2 4.32Å; K204-V233 HydrophobicContact CG-CG2 4.43Å; K204-V233 VanDerWaalsContact CG-O 3.28Å; K204-V233 WeakPolarHBondContact CG-O 3.22Å; V233-T239 HydrophobicContact CB-CG2 4.48Å; V233-T239 HydrophobicContact CG2-CG2 4.09Å; V233-L243 HydrophobicContact CG2-CD1 3.87Å; V233-L243 HydrophobicContact CG2-CD2 4.23Å; V233-L243 HydrophobicContact CG2-CG 4.44Å
234	Q	98.4	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	15%	0.152	C	C	.	.			trans	-100.7	145.9	-173.8	-63.1	-67.7	-4	0	0	111.7	L36 N37 F67 C69 S70 P205 P210 T239	L36-Q234 HydrophobicContact CB-CG 3.82Å; L36-Q234 WeakPolarHBondContact O-CG 3.4Å; L36-Q234 PolarHBondContact O-NE2 3.11Å; N37-Q234 PolarHBondContact OD1-N 3.14Å; F67-Q234 HydrophobicContact CD2-CB 3.75Å; F67-Q234 HydrophobicContact CD2-CG 4.32Å; F67-Q234 HydrophobicContact CE2-CB 3.8Å; C69-Q234 CarbonylContact C-O 3.32Å; C69-Q234 WeakPolarHBondContact CA-O 3.38Å; S70-Q234 WeakPolarHBondContact CB-O 3.05Å; S70-Q234 PolarHBondContact N-O 2.9Å; S70-Q234 PolarHBondContact OG-N 3.15Å; S70-Q234 PolarHBondContact OG-O 3.08Å; P205-Q234 VanDerWaalsContact CG-OE1 3.23Å; P210-Q234 PolarHBondContact O-NE2 3.19Å; Q234-T239 PolarHBondContact O-OG1 2.92Å
235	G	97.5	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.147	C	C	.	.			trans	144.9	177.9	167.2	0	0	0	0	0	115.2	C69 K204	C69-G235 VanDerWaalsContact SG-CA 3.55Å; K204-G235 WeakPolarHBondContact CD-O 3.3Å; K204-G235 PolarHBondContact NZ-O 3.36Å
236	G	95.6	Very high	98.2	Very high	19 Å²	19	23.6 Å²	23.6	20%	0.196	15%	0.149	C	C	.	.	S	Bend	trans	-86.3	-141.8	-177.9	0	0	0	0	0	113.8	A238 G240	G236-A238 PolarHBondContact O-N 2.8Å; G236-G240 PolarHBondContact O-N 3.29Å
237	A	96.9	Very high	98.2	Very high	92 Å²	92	29.7 Å²	29.7	76%	0.76	18%	0.176	S	C	*	.	H	α-helix	trans	-63.1	-38.9	-175.1	0	0	0	0	0	113.4	G240 Q241	A237-G240 PolarHBondContact O-N 3.28Å; A237-Q241 PolarHBondContact O-N 3.27Å
238	A	97.9	Very high	98.2	Very high	40 Å²	40	27 Å²	27	33%	0.331	16%	0.157	S	C	.	.	H	α-helix	trans	-61	-50.7	-179.2	0	0	0	0	0	112.1	G236 G240 Q241 F242	G236-A238 PolarHBondContact O-N 2.8Å; A238-G240 VanDerWaalsContact C-N 3.3Å; A238-G240 PolarHBondContact O-N 3.11Å; A238-Q241 WeakPolarHBondContact O-CB 3.43Å; A238-Q241 PolarHBondContact O-N 2.72Å; A238-Q241 VanDerWaalsContact O-N 3.1Å; A238-F242 HydrophobicContact CB-CE2 4.31Å; A238-F242 VanDerWaalsContact O-CD2 3.28Å; A238-F242 WeakPolarHBondContact O-CD2 3.44Å; A238-F242 WeakPolarHBondContact O-CG 3.23Å; A238-F242 PolarHBondContact O-N 3.42Å
239	T	98.6	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-41.7	174.6	-47.1	0	0	0	0	111.7	S70 V75 K204 V233 Q234 Q241 F242 L243	S70-T239 PolarHBondContact O-OG1 3.48Å; V75-T239 HydrophobicContact CG2-CG2 3.84Å; K204-T239 HydrophobicContact CD-CG2 4.16Å; K204-T239 HydrophobicContact CG-CG2 4.35Å; V233-T239 HydrophobicContact CB-CG2 4.48Å; V233-T239 HydrophobicContact CG2-CG2 4.09Å; Q234-T239 PolarHBondContact O-OG1 2.92Å; T239-Q241 VanDerWaalsContact C-N 3.34Å; T239-Q241 PolarHBondContact O-N 2.91Å; T239-F242 PolarHBondContact O-N 3.16Å; T239-L243 HydrophobicContact CG2-CD1 4.5Å; T239-L243 WeakPolarHBondContact O-CG 3.35Å; T239-L243 PolarHBondContact O-N 2.87Å; T239-L243 VanDerWaalsContact O-N 3.12Å
240	G	98.3	Very high	98.2	Very high	8 Å²	8	28.7 Å²	28.7	8%	0.082	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-40.1	174.3	0	0	0	0	0	113.3	G236 A237 A238 L243 C244	G236-G240 PolarHBondContact O-N 3.29Å; A237-G240 PolarHBondContact O-N 3.28Å; A238-G240 VanDerWaalsContact C-N 3.3Å; A238-G240 PolarHBondContact O-N 3.11Å; G240-L243 PolarHBondContact O-N 3.2Å; G240-C244 PolarHBondContact O-N 2.73Å; G240-C244 PolarHBondContact O-SG 2.96Å
241	Q	98.4	Very high	98.2	Very high	82 Å²	82	28.5 Å²	28.5	38%	0.383	17%	0.169	S	C	.	.	H	α-helix	trans	-63.9	-47.8	175.6	170.1	175.2	-6.1	0	0	111.5	A237 A238 T239 L243 C244 Q245 M267	A237-Q241 PolarHBondContact O-N 3.27Å; A238-Q241 WeakPolarHBondContact O-CB 3.43Å; A238-Q241 PolarHBondContact O-N 2.72Å; A238-Q241 VanDerWaalsContact O-N 3.1Å; T239-Q241 VanDerWaalsContact C-N 3.34Å; T239-Q241 PolarHBondContact O-N 2.91Å; Q241-L243 VanDerWaalsContact C-N 3.26Å; Q241-L243 PolarHBondContact O-N 3.42Å; Q241-C244 PolarHBondContact O-N 3.18Å; Q241-Q245 HydrophobicContact CG-CG 4.32Å; Q241-Q245 VanDerWaalsContact NE2-OE1 3.1Å; Q241-Q245 WeakPolarHBondContact O-CB 3.43Å; Q241-Q245 WeakPolarHBondContact O-CG 3.42Å; Q241-Q245 PolarHBondContact O-N 3.2Å; Q241-M267 HydrophobicContact CB-CE 4.48Å; Q241-M267 HydrophobicContact CB-SD 3.86Å; Q241-M267 HydrophobicContact CG-SD 3.67Å
242	F	98.6	Very high	98.2	Very high	49 Å²	49	28.5 Å²	28.5	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-56.4	-43.2	177.8	-59.3	-39.6	0	0	0	111.1	E72 V75 A238 T239 Q245 H246	E72-F242 HydrophobicContact CB-CD1 4.02Å; E72-F242 HydrophobicContact CB-CD2 4.11Å; E72-F242 HydrophobicContact CB-CE1 4.06Å; E72-F242 HydrophobicContact CB-CE2 4.17Å; E72-F242 HydrophobicContact CB-CG 4.07Å; E72-F242 HydrophobicContact CB-CZ 4.15Å; E72-F242 HydrophobicContact CG-CD1 4.15Å; E72-F242 HydrophobicContact CG-CE1 4.5Å; E72-F242 HydrophobicContact CG-CG 4.37Å; V75-F242 HydrophobicContact CB-CB 4.2Å; V75-F242 HydrophobicContact CG1-CB 4.06Å; V75-F242 HydrophobicContact CG2-CB 4.11Å; A238-F242 HydrophobicContact CB-CE2 4.31Å; A238-F242 VanDerWaalsContact O-CD2 3.28Å; A238-F242 WeakPolarHBondContact O-CD2 3.44Å; A238-F242 WeakPolarHBondContact O-CG 3.23Å; A238-F242 PolarHBondContact O-N 3.42Å; T239-F242 PolarHBondContact O-N 3.16Å; F242-Q245 PolarHBondContact O-N 2.82Å; F242-H246 WeakPolarHBondContact O-CB 3.36Å; F242-H246 PolarHBondContact O-N 2.84Å
243	L	98.6	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-47.2	176.2	-71.7	163.7	0	0	0	112.9	V75 V175 V202 K204 V233 T239 G240 Q241 Q245 H246	V75-L243 HydrophobicContact CG1-CD2 3.69Å; V75-L243 HydrophobicContact CG1-CG 3.97Å; V75-L243 HydrophobicContact CG2-CD2 4.41Å; V75-L243 HydrophobicContact CG2-CG 4.24Å; V175-L243 HydrophobicContact CG1-CB 3.9Å; V175-L243 HydrophobicContact CG1-CD1 4.22Å; V175-L243 HydrophobicContact CG1-CD2 4.42Å; V175-L243 HydrophobicContact CG1-CG 4.43Å; V175-L243 HydrophobicContact CG2-CB 4.18Å; V175-L243 HydrophobicContact CG2-CD2 3.93Å; V202-L243 HydrophobicContact CB-CD2 4.24Å; V202-L243 HydrophobicContact CG1-CD2 3.66Å; K204-L243 HydrophobicContact CB-CD1 3.75Å; K204-L243 HydrophobicContact CD-CD1 4.26Å; K204-L243 HydrophobicContact CG-CD1 4.26Å; V233-L243 HydrophobicContact CG2-CD1 3.87Å; V233-L243 HydrophobicContact CG2-CD2 4.23Å; V233-L243 HydrophobicContact CG2-CG 4.44Å; T239-L243 HydrophobicContact CG2-CD1 4.5Å; T239-L243 WeakPolarHBondContact O-CG 3.35Å; T239-L243 PolarHBondContact O-N 2.87Å; T239-L243 VanDerWaalsContact O-N 3.12Å; G240-L243 PolarHBondContact O-N 3.2Å; Q241-L243 VanDerWaalsContact C-N 3.26Å; Q241-L243 PolarHBondContact O-N 3.42Å; L243-Q245 VanDerWaalsContact C-N 3.31Å; L243-Q245 PolarHBondContact O-N 3.06Å; L243-H246 PolarHBondContact O-N 3.23Å
244	C	98.3	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-36.2	-178.7	-64.8	0	0	0	0	112.1	G240 Q241 M267 K273	G240-C244 PolarHBondContact O-N 2.73Å; G240-C244 PolarHBondContact O-SG 2.96Å; Q241-C244 PolarHBondContact O-N 3.18Å; C244-M267 HydrophobicContact CB-CB 4.06Å; C244-M267 HydrophobicContact CB-CE 4.19Å; C244-K273 PolarHBondContact O-NZ 3.01Å
245	Q	97.9	Very high	98.3	Very high	72 Å²	72	29.8 Å²	29.8	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-85.8	-15.3	-176.6	-67.5	178.4	-15.1	0	0	113.2	Q241 F242 L243 H247 M267	Q241-Q245 HydrophobicContact CG-CG 4.32Å; Q241-Q245 VanDerWaalsContact NE2-OE1 3.1Å; Q241-Q245 WeakPolarHBondContact O-CB 3.43Å; Q241-Q245 WeakPolarHBondContact O-CG 3.42Å; Q241-Q245 PolarHBondContact O-N 3.2Å; F242-Q245 PolarHBondContact O-N 2.82Å; L243-Q245 VanDerWaalsContact C-N 3.31Å; L243-Q245 PolarHBondContact O-N 3.06Å; Q245-H247 PolarHBondContact O-N 2.79Å; Q245-M267 HydrophobicContact CG-CB 4.34Å
246	H	98.7	Very high	98.3	Very high	20 Å²	20	30.8 Å²	30.8	9%	0.093	19%	0.186	C	C	.	.			trans	-57	132.5	-178.2	-159.8	-73	0	0	0	112.2	N76 V79 F242 L243 D248 V249 K273	N76-H246 PolarHBondContact OD1-NE2 2.82Å; V79-H246 VanDerWaalsContact CG1-CE1 3.48Å; V79-H246 WeakPolarHBondContact CG1-CE1 3.4Å; F242-H246 WeakPolarHBondContact O-CB 3.36Å; F242-H246 PolarHBondContact O-N 2.84Å; L243-H246 PolarHBondContact O-N 3.23Å; H246-D248 PolarHBondContact ND1-N 3.35Å; H246-D248 VanDerWaalsContact ND1-N 3.2Å; H246-V249 HydrophobicContact CB-CB 4.41Å; H246-V249 HydrophobicContact CB-CG2 3.82Å; H246-V249 PolarHBondContact O-N 2.85Å; H246-K273 WeakPolarHBondContact O-CE 3.45Å; H246-K273 PolarHBondContact O-NZ 2.7Å
247	H	97.9	Very high	98.4	Very high	143 Å²	143	32.2 Å²	32.2	66%	0.662	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-34.9	-173.2	67.4	-81.8	0	0	0	113.3	Q245 V249	Q245-H247 PolarHBondContact O-N 2.79Å; H247-V249 VanDerWaalsContact C-N 3.29Å; H247-V249 PolarHBondContact O-N 2.84Å
248	D	98.4	Very high	98.5	Very high	36 Å²	36	28.8 Å²	28.8	19%	0.193	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.8	178.6	-81.4	-31.8	0	0	0	114.8	V79 Q80 K83 H246	V79-D248 HydrophobicContact CG1-CB 3.67Å; Q80-D248 PolarHBondContact NE2-OD2 2.86Å; K83-D248 HydrophobicContact CD-CB 4.5Å; K83-D248 IonicContact NZ-OD1 3.92Å; K83-D248 PolarHBondContact NZ-OD1 3.23Å; K83-D248 IonicContact NZ-OD2 2.83Å; K83-D248 PolarHBondContact NZ-OD2 3.47Å; H246-D248 PolarHBondContact ND1-N 3.35Å; H246-D248 VanDerWaalsContact ND1-N 3.2Å
249	V	98.7	Very high	98.5	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.5	177.9	168.9	0	0	0	0	109.4	V79 V173 V175 H246 H247 K251 V252 K273	V79-V249 HydrophobicContact CG1-CG2 4.46Å; V79-V249 HydrophobicContact CG2-CG2 4.02Å; V173-V249 HydrophobicContact CG1-CG2 4.49Å; V175-V249 HydrophobicContact CB-CG1 4.11Å; V175-V249 HydrophobicContact CG2-CB 4.26Å; V175-V249 HydrophobicContact CG2-CG1 3.57Å; V175-V249 HydrophobicContact CG2-CG2 3.61Å; H246-V249 HydrophobicContact CB-CB 4.41Å; H246-V249 HydrophobicContact CB-CG2 3.82Å; H246-V249 PolarHBondContact O-N 2.85Å; H247-V249 VanDerWaalsContact C-N 3.29Å; H247-V249 PolarHBondContact O-N 2.84Å; V249-K251 WeakPolarHBondContact CG1-O 3.33Å; V249-V252 HydrophobicContact CG1-CG2 4.36Å; V249-K273 HydrophobicContact CB-CD 4.47Å; V249-K273 HydrophobicContact CG1-CD 4.16Å; V249-K273 WeakPolarHBondContact O-CD 3.24Å; V249-K273 WeakPolarHBondContact O-CE 3.16Å
250	A	98.8	Very high	98.5	Very high	31 Å²	31	33.8 Å²	33.8	26%	0.256	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-27	-177.3	0	0	0	0	0	113.3	L171 V173 P274	L171-A250 HydrophobicContact CB-CB 4.05Å; L171-A250 WeakPolarHBondContact O-CB 3.28Å; V173-A250 PolarHBondContact O-N 2.9Å; A250-P274 WeakPolarHBondContact O-CD 3.4Å
251	K	98.9	Very high	98.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148.2	-175.1	171.4	-179	177.3	72.1	0	111.5	L171 C174 V175 V249 T276 Y500 Y501	L171-K251 HydrophobicContact CD1-CB 3.89Å; L171-K251 HydrophobicContact CD1-CD 3.62Å; L171-K251 HydrophobicContact CD1-CG 4.3Å; C174-K251 HydrophobicContact CB-CB 4.43Å; V175-K251 PolarHBondContact N-O 2.84Å; V249-K251 WeakPolarHBondContact CG1-O 3.33Å; K251-T276 PolarHBondContact NZ-OG1 3.44Å; K251-Y500 WeakPolarHBondContact CD-O 3.41Å; K251-Y500 WeakPolarHBondContact CE-O 3.36Å; K251-Y500 PolarHBondContact NZ-O 3.2Å; K251-Y501 HydrophobicContact CD-CD1 3.74Å; K251-Y501 HydrophobicContact CD-CE1 3.71Å; K251-Y501 HydrophobicContact CD-CG 4.44Å
252	V	98.9	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.1	168.1	-175.8	0	0	0	0	110.2	V175 V249 I264 K273 P274 V275 T276	V175-V252 HydrophobicContact CB-CG2 4.5Å; V175-V252 HydrophobicContact CG1-CG1 4.48Å; V175-V252 CarbonylContact O-C 3.36Å; V175-V252 WeakPolarHBondContact O-CA 3.43Å; V249-V252 HydrophobicContact CG1-CG2 4.36Å; V252-I264 HydrophobicContact CG1-CG2 3.83Å; V252-K273 HydrophobicContact CG2-CD 4.38Å; V252-P274 PolarHBondContact N-O 2.58Å; V252-P274 VanDerWaalsContact N-O 3.15Å; V252-V275 CarbonylContact O-C 3.59Å; V252-V275 VanDerWaalsContact O-CA 3.26Å; V252-V275 WeakPolarHBondContact O-CA 3.39Å; V252-T276 PolarHBondContact O-N 2.8Å
253	S	98.9	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.6	167.2	177.2	0	0	0	0	109	V175 G176 I177 K190 T276 Y501	V175-S253 PolarHBondContact O-N 2.86Å; G176-S253 CarbonylContact C-O 3.56Å; G176-S253 WeakPolarHBondContact CA-O 3.42Å; I177-S253 PolarHBondContact N-O 2.66Å; K190-S253 PolarHBondContact NZ-OG 3.36Å; S253-T276 WeakPolarHBondContact CA-O 3.41Å; S253-Y501 WeakPolarHBondContact CB-OH 3.23Å
254	F	98.9	Very high	98.5	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.048	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.4	-175.2	170	-105	0	0	0	111.3	I177 T260 I264 T276 L277 E278 L279	I177-F254 HydrophobicContact CB-CD2 3.85Å; I177-F254 HydrophobicContact CG2-CD2 3.57Å; I177-F254 HydrophobicContact CG2-CE2 3.9Å; F254-T260 HydrophobicContact CE1-CG2 4.24Å; F254-T260 HydrophobicContact CE2-CG2 3.88Å; F254-T260 HydrophobicContact CZ-CG2 3.47Å; F254-T260 VanDerWaalsContact CZ-CG2 3.47Å; F254-I264 HydrophobicContact CB-CD1 3.79Å; F254-I264 HydrophobicContact CB-CG2 4.3Å; F254-I264 HydrophobicContact CD1-CD1 3.82Å; F254-I264 HydrophobicContact CD2-CD1 3.1Å; F254-I264 HydrophobicContact CE1-CD1 4.14Å; F254-I264 HydrophobicContact CE2-CD1 3.49Å; F254-I264 VanDerWaalsContact CE2-CD1 3.49Å; F254-I264 HydrophobicContact CG-CD1 3.27Å; F254-I264 HydrophobicContact CZ-CD1 3.99Å; F254-T276 PolarHBondContact N-O 2.82Å; F254-L277 HydrophobicContact CB-CD2 4.04Å; F254-L277 HydrophobicContact CD1-CD2 4.03Å; F254-E278 PolarHBondContact O-N 2.85Å; F254-L279 HydrophobicContact CD1-CD2 3.73Å; F254-L279 HydrophobicContact CE1-CD2 3.61Å
255	T	98.8	Very high	98.5	Very high	15 Å²	15	42.9 Å²	42.9	9%	0.092	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129	166.6	-53.5	0	0	0	0	109.7	I177 A179 I186 K190 E278	I177-T255 PolarHBondContact O-N 3.07Å; I177-T255 VanDerWaalsContact O-N 3.08Å; A179-T255 HydrophobicContact CB-CG2 4.1Å; I186-T255 HydrophobicContact CD1-CG2 4.14Å; K190-T255 WeakPolarHBondContact CE-OG1 3.35Å; K190-T255 PolarHBondContact NZ-OG1 3.15Å; T255-E278 VanDerWaalsContact CA-O 3.23Å; T255-E278 WeakPolarHBondContact CA-O 3.38Å; T255-E278 HydrophobicContact CG2-CB 4.04Å
256	G	98.3	Very high	98.6	Very high	22 Å²	22	45.2 Å²	45.2	23%	0.227	24%	0.243	C	C	.	.	S	Bend	trans	161.6	-151.3	177.9	0	0	0	0	0	114.5	E278 L279 G280	G256-E278 PolarHBondContact N-O 2.8Å; G256-L279 VanDerWaalsContact O-CA 3.26Å; G256-L279 WeakPolarHBondContact O-CA 3.25Å; G256-G280 PolarHBondContact O-N 3Å
257	S	98.1	Very high	98.5	Very high	49 Å²	49	46 Å²	46	34%	0.343	25%	0.248	S	C	.	.			trans	-76.4	151	-174.5	68.7	0	0	0	0	113.3	T260 G261	S257-T260 PolarHBondContact O-N 3.39Å; S257-T260 VanDerWaalsContact O-N 3.14Å; S257-T260 PolarHBondContact OG-OG1 3.2Å; S257-G261 PolarHBondContact O-N 3.28Å
258	V	98.4	Very high	98.5	Very high	19 Å²	19	39.2 Å²	39.2	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-54.1	-48.4	177.6	175.9	0	0	0	0	113.1	T260 G261 M262 L279 F441 K486	V258-T260 VanDerWaalsContact C-N 3.25Å; V258-T260 PolarHBondContact O-N 3.38Å; V258-G261 PolarHBondContact O-N 3.19Å; V258-G261 VanDerWaalsContact O-N 3.16Å; V258-M262 HydrophobicContact CG1-SD 4.3Å; V258-M262 WeakPolarHBondContact O-CG 3.23Å; V258-M262 PolarHBondContact O-N 3.13Å; V258-L279 HydrophobicContact CG2-CB 3.88Å; V258-L279 HydrophobicContact CG2-CD1 4.29Å; V258-F441 HydrophobicContact CG2-CD1 4.43Å; V258-F441 HydrophobicContact CG2-CE1 3.72Å; V258-K486 HydrophobicContact CG1-CB 4.28Å; V258-K486 HydrophobicContact CG1-CD 4.47Å; V258-K486 WeakPolarHBondContact CG2-O 3.44Å
259	P	98.3	Very high	98.5	Very high	85 Å²	85	40.7 Å²	40.7	55%	0.552	23%	0.233	S	C	*	.	H	α-helix	trans	-61.2	-33.6	179.8	-24.4	35.6	0	0	0	113.4	K263	P259-K263 WeakPolarHBondContact O-CG 3.34Å; P259-K263 PolarHBondContact O-N 2.82Å
260	T	98.4	Very high	98.4	Very high	61 Å²	61	48.7 Å²	48.7	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-75	-40	176.6	-55.3	0	0	0	0	111.1	F254 S257 V258 M262 K263 I264	F254-T260 HydrophobicContact CE1-CG2 4.24Å; F254-T260 HydrophobicContact CE2-CG2 3.88Å; F254-T260 HydrophobicContact CZ-CG2 3.47Å; F254-T260 VanDerWaalsContact CZ-CG2 3.47Å; S257-T260 PolarHBondContact O-N 3.39Å; S257-T260 VanDerWaalsContact O-N 3.14Å; S257-T260 PolarHBondContact OG-OG1 3.2Å; V258-T260 VanDerWaalsContact C-N 3.25Å; V258-T260 PolarHBondContact O-N 3.38Å; T260-M262 VanDerWaalsContact C-N 3.31Å; T260-M262 PolarHBondContact O-N 2.85Å; T260-K263 PolarHBondContact O-N 2.91Å; T260-I264 HydrophobicContact CG2-CD1 4.09Å; T260-I264 WeakPolarHBondContact O-CG1 3.37Å; T260-I264 PolarHBondContact O-N 2.85Å
261	G	98.6	Very high	98.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-42.1	175.4	0	0	0	0	0	112.7	S257 V258 I264 M265	S257-G261 PolarHBondContact O-N 3.28Å; V258-G261 PolarHBondContact O-N 3.19Å; V258-G261 VanDerWaalsContact O-N 3.16Å; G261-I264 PolarHBondContact O-N 2.98Å; G261-M265 PolarHBondContact O-N 3.34Å
262	M	98.6	Very high	98.2	Very high	96 Å²	96	56.5 Å²	56.5	47%	0.473	31%	0.313	S	S	.	.	H	α-helix	trans	-58.6	-49	174.1	-68.9	176.6	65.8	0	0	111.7	V258 T260 I264 M265 E266	V258-M262 HydrophobicContact CG1-SD 4.3Å; V258-M262 WeakPolarHBondContact O-CG 3.23Å; V258-M262 PolarHBondContact O-N 3.13Å; T260-M262 VanDerWaalsContact C-N 3.31Å; T260-M262 PolarHBondContact O-N 2.85Å; M262-I264 VanDerWaalsContact C-N 3.31Å; M262-I264 PolarHBondContact O-N 3.06Å; M262-M265 WeakPolarHBondContact O-CB 3.41Å; M262-M265 PolarHBondContact O-N 3.17Å; M262-E266 WeakPolarHBondContact O-CG 3.11Å; M262-E266 PolarHBondContact O-N 3.37Å
263	K	98.6	Very high	98.1	Very high	130 Å²	130	57.5 Å²	57.5	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-61.3	-38.4	177.1	-68.8	176.4	-179.4	-178.3	0	112.6	P259 T260 E266 M267	P259-K263 WeakPolarHBondContact O-CG 3.34Å; P259-K263 PolarHBondContact O-N 2.82Å; T260-K263 PolarHBondContact O-N 2.91Å; K263-E266 PolarHBondContact O-N 3.33Å; K263-M267 WeakPolarHBondContact O-CB 3.26Å; K263-M267 VanDerWaalsContact O-CG 3.28Å; K263-M267 WeakPolarHBondContact O-CG 3.29Å; K263-M267 PolarHBondContact O-N 3.07Å
264	I	98.4	Very high	98.1	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-42.6	176.4	-75.5	171.5	0	0	0	110.9	I177 V252 F254 T260 G261 M262 M267 S268 V275 L277	I177-I264 HydrophobicContact CD1-CD1 4.19Å; V252-I264 HydrophobicContact CG1-CG2 3.83Å; F254-I264 HydrophobicContact CB-CD1 3.79Å; F254-I264 HydrophobicContact CB-CG2 4.3Å; F254-I264 HydrophobicContact CD1-CD1 3.82Å; F254-I264 HydrophobicContact CD2-CD1 3.1Å; F254-I264 HydrophobicContact CE1-CD1 4.14Å; F254-I264 HydrophobicContact CE2-CD1 3.49Å; F254-I264 VanDerWaalsContact CE2-CD1 3.49Å; F254-I264 HydrophobicContact CG-CD1 3.27Å; F254-I264 HydrophobicContact CZ-CD1 3.99Å; T260-I264 HydrophobicContact CG2-CD1 4.09Å; T260-I264 WeakPolarHBondContact O-CG1 3.37Å; T260-I264 PolarHBondContact O-N 2.85Å; G261-I264 PolarHBondContact O-N 2.98Å; M262-I264 VanDerWaalsContact C-N 3.31Å; M262-I264 PolarHBondContact O-N 3.06Å; I264-M267 HydrophobicContact CG1-CE 4.12Å; I264-M267 PolarHBondContact O-N 2.99Å; I264-S268 VanDerWaalsContact O-CB 3.23Å; I264-S268 WeakPolarHBondContact O-CB 3.44Å; I264-S268 PolarHBondContact O-N 2.78Å; I264-S268 PolarHBondContact O-OG 3.38Å; I264-V275 HydrophobicContact CG2-CG1 4.33Å; I264-L277 HydrophobicContact CG2-CD2 4.41Å
265	M	98.5	Very high	98.1	Very high	95 Å²	95	61.2 Å²	61.2	47%	0.468	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-46.3	175.4	-171.9	176.8	179.3	0	0	111.4	G261 M262 M267 S268 A269 L277 F489	G261-M265 PolarHBondContact O-N 3.34Å; M262-M265 WeakPolarHBondContact O-CB 3.41Å; M262-M265 PolarHBondContact O-N 3.17Å; M265-M267 PolarHBondContact O-N 3.35Å; M265-S268 PolarHBondContact O-N 3.12Å; M265-A269 PolarHBondContact O-N 3.08Å; M265-L277 HydrophobicContact CB-CD1 4.35Å; M265-F489 HydrophobicContact CE-CE1 4.17Å; M265-F489 HydrophobicContact CE-CZ 4.08Å; M265-F489 HydrophobicContact SD-CE1 3.83Å; M265-F489 HydrophobicContact SD-CZ 3.99Å
266	E	98.6	Very high	98.1	Very high	122 Å²	122	60.6 Å²	60.6	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-57.9	-45.9	175.9	-71.6	165.8	-167	0	0	112.2	M262 K263 A269	M262-E266 WeakPolarHBondContact O-CG 3.11Å; M262-E266 PolarHBondContact O-N 3.37Å; K263-E266 PolarHBondContact O-N 3.33Å; E266-A269 WeakPolarHBondContact O-CB 3.42Å; E266-A269 PolarHBondContact O-N 3.43Å
267	M	98.1	Very high	98.1	Very high	37 Å²	37	59.8 Å²	59.8	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-66.6	-38.7	177.6	-71	-172.9	-65.6	0	0	112.3	Q241 C244 Q245 K263 I264 M265 A269	Q241-M267 HydrophobicContact CB-CE 4.48Å; Q241-M267 HydrophobicContact CB-SD 3.86Å; Q241-M267 HydrophobicContact CG-SD 3.67Å; C244-M267 HydrophobicContact CB-CB 4.06Å; C244-M267 HydrophobicContact CB-CE 4.19Å; Q245-M267 HydrophobicContact CG-CB 4.34Å; K263-M267 WeakPolarHBondContact O-CB 3.26Å; K263-M267 VanDerWaalsContact O-CG 3.28Å; K263-M267 WeakPolarHBondContact O-CG 3.29Å; K263-M267 PolarHBondContact O-N 3.07Å; I264-M267 HydrophobicContact CG1-CE 4.12Å; I264-M267 PolarHBondContact O-N 2.99Å; M265-M267 PolarHBondContact O-N 3.35Å; M267-A269 VanDerWaalsContact C-N 3.31Å; M267-A269 PolarHBondContact O-N 2.89Å
268	S	97.9	Very high	98.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.2	-27.9	-178.8	-61.3	0	0	0	0	112.5	I264 M265 K270 G271 I272 K273 V275	I264-S268 VanDerWaalsContact O-CB 3.23Å; I264-S268 WeakPolarHBondContact O-CB 3.44Å; I264-S268 PolarHBondContact O-N 2.78Å; I264-S268 PolarHBondContact O-OG 3.38Å; M265-S268 PolarHBondContact O-N 3.12Å; S268-K270 PolarHBondContact O-N 3.47Å; S268-G271 PolarHBondContact O-N 3.44Å; S268-G271 VanDerWaalsContact O-N 3.11Å; S268-I272 PolarHBondContact O-N 2.63Å; S268-K273 PolarHBondContact O-N 2.9Å; S268-V275 VanDerWaalsContact CB-CG2 3.48Å
269	A	98.1	Very high	98.2	Very high	66 Å²	66	57.3 Å²	57.3	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-58.8	-33.6	178	0	0	0	0	0	112.9	M265 E266 M267 G271 I272	M265-A269 PolarHBondContact O-N 3.08Å; E266-A269 WeakPolarHBondContact O-CB 3.42Å; E266-A269 PolarHBondContact O-N 3.43Å; M267-A269 VanDerWaalsContact C-N 3.31Å; M267-A269 PolarHBondContact O-N 2.89Å; A269-G271 PolarHBondContact O-N 3.07Å; A269-I272 PolarHBondContact O-N 3.39Å
270	K	95.8	Very high	98.2	Very high	173 Å²	173	53.3 Å²	53.3	75%	0.752	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.2	177.5	-66.2	-175.2	179.7	-178.7	0	113.4	S268	S268-K270 PolarHBondContact O-N 3.47Å
271	G	95.8	Very high	98.2	Very high	41 Å²	41	50.6 Å²	50.6	42%	0.423	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	8.4	176.5	0	0	0	0	0	114	S268 A269 K273	S268-G271 PolarHBondContact O-N 3.44Å; S268-G271 VanDerWaalsContact O-N 3.11Å; A269-G271 PolarHBondContact O-N 3.07Å; G271-K273 PolarHBondContact O-N 2.89Å; G271-K273 VanDerWaalsContact O-N 3.14Å
272	I	97.8	Very high	98.2	Very high	156 Å²	156	50.8 Å²	50.8	80%	0.8	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	39.9	-174.7	-44.3	179.3	0	0	0	110.9	S268 A269	S268-I272 PolarHBondContact O-N 2.63Å; A269-I272 PolarHBondContact O-N 3.39Å
273	K	98.4	Very high	98.2	Very high	21 Å²	21	46.3 Å²	46.3	9%	0.091	25%	0.248	C	C	.	.			trans	-81.7	130	-175.8	-59.2	-174.8	176.4	95	0	109.6	C244 H246 V249 V252 S268 G271 V275	C244-K273 PolarHBondContact O-NZ 3.01Å; H246-K273 WeakPolarHBondContact O-CE 3.45Å; H246-K273 PolarHBondContact O-NZ 2.7Å; V249-K273 HydrophobicContact CB-CD 4.47Å; V249-K273 HydrophobicContact CG1-CD 4.16Å; V249-K273 WeakPolarHBondContact O-CD 3.24Å; V249-K273 WeakPolarHBondContact O-CE 3.16Å; V252-K273 HydrophobicContact CG2-CD 4.38Å; S268-K273 PolarHBondContact O-N 2.9Å; G271-K273 PolarHBondContact O-N 2.89Å; G271-K273 VanDerWaalsContact O-N 3.14Å; K273-V275 WeakPolarHBondContact O-CG2 3.38Å; K273-V275 PolarHBondContact O-N 2.7Å
274	P	98.4	Very high	98.2	Very high	71 Å²	71	40.5 Å²	40.5	46%	0.461	22%	0.224	S	C	.	.			trans	-55.7	136.5	165.3	-24.4	34.4	0	0	0	110.6	A250 V252	A250-P274 WeakPolarHBondContact O-CD 3.4Å; V252-P274 PolarHBondContact N-O 2.58Å; V252-P274 VanDerWaalsContact N-O 3.15Å
275	V	98.6	Very high	98.2	Very high	18 Å²	18	40.1 Å²	40.1	11%	0.109	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.2	179.1	-169.8	0	0	0	0	109.6	V252 I264 S268 K273 L277 F489	V252-V275 CarbonylContact O-C 3.59Å; V252-V275 VanDerWaalsContact O-CA 3.26Å; V252-V275 WeakPolarHBondContact O-CA 3.39Å; I264-V275 HydrophobicContact CG2-CG1 4.33Å; S268-V275 VanDerWaalsContact CB-CG2 3.48Å; K273-V275 WeakPolarHBondContact O-CG2 3.38Å; K273-V275 PolarHBondContact O-N 2.7Å; V275-L277 HydrophobicContact CG1-CD2 3.42Å; V275-L277 VanDerWaalsContact CG1-CD2 3.42Å; V275-L277 HydrophobicContact CG1-CG 3.71Å; V275-F489 HydrophobicContact CB-CE2 4.38Å; V275-F489 HydrophobicContact CB-CZ 4.33Å; V275-F489 WeakPolarHBondContact O-CE2 3.31Å
276	T	98.9	Very high	98.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.2	161.4	-61.7	0	0	0	0	107.4	K251 V252 S253 F254	K251-T276 PolarHBondContact NZ-OG1 3.44Å; V252-T276 PolarHBondContact O-N 2.8Å; S253-T276 WeakPolarHBondContact CA-O 3.41Å; F254-T276 PolarHBondContact N-O 2.82Å
277	L	98.9	Very high	98.3	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.9	-178.8	-63.6	-178	0	0	0	108.9	F254 I264 M265 V275 L279 G488 F489	F254-L277 HydrophobicContact CB-CD2 4.04Å; F254-L277 HydrophobicContact CD1-CD2 4.03Å; I264-L277 HydrophobicContact CG2-CD2 4.41Å; M265-L277 HydrophobicContact CB-CD1 4.35Å; V275-L277 HydrophobicContact CG1-CD2 3.42Å; V275-L277 VanDerWaalsContact CG1-CD2 3.42Å; V275-L277 HydrophobicContact CG1-CG 3.71Å; L277-L279 HydrophobicContact CB-CD1 4.08Å; L277-L279 HydrophobicContact CB-CD2 4.22Å; L277-L279 HydrophobicContact CB-CG 4.01Å; L277-L279 HydrophobicContact CD1-CD1 4.27Å; L277-G488 CarbonylContact O-C 3.5Å; L277-G488 WeakPolarHBondContact O-CA 3.49Å; L277-F489 HydrophobicContact CD1-CD1 4.27Å; L277-F489 HydrophobicContact CD1-CE1 3.55Å; L277-F489 HydrophobicContact CD1-CZ 3.95Å; L277-F489 HydrophobicContact CG-CE1 4.1Å; L277-F489 HydrophobicContact CG-CZ 4.17Å; L277-F489 PolarHBondContact N-O 3.12Å; L277-F489 PolarHBondContact O-N 2.95Å; L277-F489 VanDerWaalsContact O-N 3.1Å
278	E	98.8	Very high	98.3	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103.1	170.4	-69.5	-60.1	156.1	0	0	108.5	F254 T255 G256 G482 E492	F254-E278 PolarHBondContact O-N 2.85Å; T255-E278 VanDerWaalsContact CA-O 3.23Å; T255-E278 WeakPolarHBondContact CA-O 3.38Å; T255-E278 HydrophobicContact CG2-CB 4.04Å; G256-E278 PolarHBondContact N-O 2.8Å; E278-G482 VanDerWaalsContact OE1-CA 3.25Å; E278-G482 WeakPolarHBondContact OE1-CA 3.46Å; E278-G482 WeakPolarHBondContact OE2-CA 3.43Å; E278-E492 HydrophobicContact CG-CG 4.06Å
279	L	98.7	Very high	98.3	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.047	18%	0.182	C	C	.	.			trans	-114.5	-176.8	-166.7	-50.4	174.5	0	0	0	112.5	F254 G256 V258 L277 K486 S487	F254-L279 HydrophobicContact CD1-CD2 3.73Å; F254-L279 HydrophobicContact CE1-CD2 3.61Å; G256-L279 VanDerWaalsContact O-CA 3.26Å; G256-L279 WeakPolarHBondContact O-CA 3.25Å; V258-L279 HydrophobicContact CG2-CB 3.88Å; V258-L279 HydrophobicContact CG2-CD1 4.29Å; L277-L279 HydrophobicContact CB-CD1 4.08Å; L277-L279 HydrophobicContact CB-CD2 4.22Å; L277-L279 HydrophobicContact CB-CG 4.01Å; L277-L279 HydrophobicContact CD1-CD1 4.27Å; L279-K486 WeakPolarHBondContact CD1-O 3.45Å; L279-S487 WeakPolarHBondContact CA-O 3.5Å; L279-S487 WeakPolarHBondContact CB-O 3.28Å; L279-S487 PolarHBondContact N-O 2.97Å
280	G	97.7	Very high	98.4	Very high	2 Å²	2	30 Å²	30	2%	0.021	17%	0.169	C	C	.	.			trans	-65.3	172.2	-179.4	0	0	0	0	0	114.6	G256 E415 F441 S487	G256-G280 PolarHBondContact O-N 3Å; G280-E415 WeakPolarHBondContact CA-OE1 3.37Å; G280-E415 WeakPolarHBondContact CA-OE2 3.46Å; G280-F441 VanDerWaalsContact O-CD1 3.29Å; G280-F441 WeakPolarHBondContact O-CD1 3.44Å; G280-S487 WeakPolarHBondContact O-CB 3.34Å; G280-S487 PolarHBondContact O-OG 3.26Å
281	G	98.3	Very high	98.5	Very high	4 Å²	4	22.6 Å²	22.6	4%	0.041	14%	0.139	C	C	.	.			trans	-147.1	164.8	-176.5	0	0	0	0	0	114.7	E415	G281-E415 PolarHBondContact N-OE1 3Å
282	K	98.8	Very high	98.6	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.013	13%	0.13	C	C	.	.			trans	-136.9	53.7	167.2	-164.4	66.4	-174.8	166.7	0	110.1	T316 R317 C411 V412 E414 F441	K282-T316 VanDerWaalsContact CD-OG1 3.31Å; K282-T316 WeakPolarHBondContact CD-OG1 3.48Å; K282-T316 WeakPolarHBondContact CE-OG1 3.45Å; K282-T316 PolarHBondContact NZ-OG1 2.98Å; K282-R317 HydrophobicContact CD-CG 4.37Å; K282-R317 HydrophobicContact CG-CG 4.04Å; K282-R317 PolarHBondContact O-NE 3.5Å; K282-R317 PolarHBondContact O-NH2 3.27Å; K282-C411 WeakPolarHBondContact CE-O 2.97Å; K282-C411 PolarHBondContact NZ-O 2.71Å; K282-V412 WeakPolarHBondContact CE-O 3.26Å; K282-V412 WeakPolarHBondContact CG-O 3.27Å; K282-E414 WeakPolarHBondContact CD-O 3.4Å; K282-E414 PolarHBondContact NZ-O 3.3Å; K282-F441 HydrophobicContact CB-CB 4.47Å; K282-F441 HydrophobicContact CB-CD2 3.71Å; K282-F441 HydrophobicContact CB-CE2 4.31Å; K282-F441 HydrophobicContact CB-CG 4.34Å
283	S	98.9	Very high	98.7	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	10%	0.104	C	C	.	.			trans	-58	133.6	-168	-51.6	0	0	0	0	111.8	C313 N314 G315 T316 R317 A444 Y472	S283-C313 WeakPolarHBondContact CB-O 3.32Å; S283-C313 PolarHBondContact OG-O 3.2Å; S283-N314 WeakPolarHBondContact CB-O 3.1Å; S283-G315 CarbonylContact O-C 3.58Å; S283-G315 WeakPolarHBondContact O-CA 3.36Å; S283-T316 PolarHBondContact O-N 2.81Å; S283-R317 PolarHBondContact O-N 3.31Å; S283-A444 WeakPolarHBondContact CA-O 3.46Å; S283-A444 WeakPolarHBondContact CB-O 3.22Å; S283-A444 PolarHBondContact OG-N 3.2Å; S283-A444 PolarHBondContact OG-O 3.18Å; S283-Y472 WeakPolarHBondContact CB-OH 3.38Å
284	P	98.9	Very high	98.7	Very high	9 Å²	9	21.9 Å²	21.9	6%	0.058	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.2	173.6	32.8	-31.2	0	0	0	111.2	R317 F319 A436 A444 A445 G446 L462	P284-R317 WeakPolarHBondContact CA-O 3.15Å; P284-F319 HydrophobicContact CB-CD2 4.05Å; P284-F319 HydrophobicContact CB-CE2 3.82Å; P284-A436 HydrophobicContact CB-CB 3.76Å; P284-A436 HydrophobicContact CG-CB 3.82Å; P284-A444 WeakPolarHBondContact CD-O 3.25Å; P284-A445 HydrophobicContact CG-CB 3.86Å; P284-A445 CarbonylContact O-C 3.5Å; P284-A445 VanDerWaalsContact O-CA 3.28Å; P284-A445 WeakPolarHBondContact O-CA 3.31Å; P284-G446 PolarHBondContact O-N 3.24Å; P284-L462 HydrophobicContact CG-CD2 4.1Å
285	L	98.9	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.2	166	173.3	56.9	0	0	0	108.4	I287 A300 A303 R317 V318 F319 F448 Y472	L285-I287 HydrophobicContact CD2-CD1 4.41Å; L285-I287 HydrophobicContact CG-CD1 4.41Å; L285-I287 HydrophobicContact CG-CG1 4.22Å; L285-A300 HydrophobicContact CD2-CB 3.88Å; L285-A303 HydrophobicContact CD2-CB 4.14Å; L285-R317 PolarHBondContact N-O 3.47Å; L285-V318 HydrophobicContact CB-CG2 4.44Å; L285-V318 HydrophobicContact CD2-CG1 4.37Å; L285-V318 HydrophobicContact CD2-CG2 4.35Å; L285-V318 HydrophobicContact CG-CG1 4.5Å; L285-V318 CarbonylContact O-C 3.57Å; L285-V318 WeakPolarHBondContact O-CA 3.12Å; L285-F319 PolarHBondContact O-N 3.15Å; L285-F448 HydrophobicContact CD1-CD2 3.68Å; L285-F448 HydrophobicContact CD1-CE2 3.79Å; L285-Y472 HydrophobicContact CB-CE2 4.17Å; L285-Y472 HydrophobicContact CD1-CD2 3.77Å; L285-Y472 HydrophobicContact CD1-CE2 3.99Å; L285-Y472 HydrophobicContact CD2-CD2 4.46Å
286	I	98.9	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127	-176.2	-55.9	173.8	0	0	0	109.7	F288 F319 F426 V432 A436 G446 V447 F448 V458 L462	I286-F288 HydrophobicContact CB-CE2 4.46Å; I286-F288 HydrophobicContact CG2-CD2 3.98Å; I286-F288 HydrophobicContact CG2-CE2 3.44Å; I286-F288 VanDerWaalsContact CG2-CE2 3.44Å; I286-F288 HydrophobicContact CG2-CZ 3.81Å; I286-F319 CarbonylContact C-O 3.57Å; I286-F319 HydrophobicContact CG1-CB 4.37Å; I286-F319 HydrophobicContact CG1-CD2 4.48Å; I286-F426 HydrophobicContact CG2-CE1 3.98Å; I286-F426 HydrophobicContact CG2-CZ 3.88Å; I286-V432 HydrophobicContact CD1-CG1 4.23Å; I286-V432 HydrophobicContact CD1-CG2 3.96Å; I286-V432 HydrophobicContact CG1-CG2 3.89Å; I286-V432 HydrophobicContact CG2-CG1 3.96Å; I286-V432 HydrophobicContact CG2-CG2 3.95Å; I286-A436 HydrophobicContact CD1-CB 4.06Å; I286-G446 PolarHBondContact N-O 2.76Å; I286-V447 CarbonylContact O-C 3.45Å; I286-V447 VanDerWaalsContact O-CA 3.28Å; I286-V447 WeakPolarHBondContact O-CA 3.38Å; I286-F448 PolarHBondContact O-N 3.42Å; I286-V458 HydrophobicContact CD1-CG1 4.27Å; I286-L462 HydrophobicContact CD1-CD2 4.13Å
287	I	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.7	-177.1	-54.3	178.7	0	0	0	108.7	L285 C291 A296 V318 F319 V320 Q321 I324 F328 F426 F448	L285-I287 HydrophobicContact CD2-CD1 4.41Å; L285-I287 HydrophobicContact CG-CD1 4.41Å; L285-I287 HydrophobicContact CG-CG1 4.22Å; I287-C291 HydrophobicContact CG2-CB 4.2Å; I287-C291 VanDerWaalsContact CG2-SG 3.53Å; I287-A296 HydrophobicContact CD1-CB 4.25Å; I287-A296 HydrophobicContact CG2-CB 3.75Å; I287-V318 HydrophobicContact CD1-CG1 3.7Å; I287-V318 HydrophobicContact CG1-CG1 4.46Å; I287-F319 PolarHBondContact N-O 2.72Å; I287-V320 HydrophobicContact CD1-CG2 4.37Å; I287-Q321 PolarHBondContact O-N 3.43Å; I287-I324 HydrophobicContact CG2-CD1 3.92Å; I287-F328 HydrophobicContact CD1-CD2 4.09Å; I287-F328 HydrophobicContact CD1-CE1 4.32Å; I287-F328 HydrophobicContact CD1-CE2 3.32Å; I287-F328 HydrophobicContact CD1-CZ 3.46Å; I287-F328 VanDerWaalsContact CD1-CZ 3.46Å; I287-F426 WeakPolarHBondContact O-CE1 3.37Å; I287-F448 HydrophobicContact CG1-CB 4.41Å; I287-F448 HydrophobicContact CG2-CB 4.31Å
288	F	98.9	Very high	98.7	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.013	15%	0.145	C	C	.	.			trans	-82.7	157	177.4	-71.5	-85	0	0	0	112	I286 D290 C291 I324 F426 E429 V432 V447 F448 R454 V458	I286-F288 HydrophobicContact CB-CE2 4.46Å; I286-F288 HydrophobicContact CG2-CD2 3.98Å; I286-F288 HydrophobicContact CG2-CE2 3.44Å; I286-F288 VanDerWaalsContact CG2-CE2 3.44Å; I286-F288 HydrophobicContact CG2-CZ 3.81Å; F288-D290 VanDerWaalsContact CB-OD1 3.23Å; F288-D290 WeakPolarHBondContact CB-OD1 3.44Å; F288-D290 PolarHBondContact O-N 3.04Å; F288-C291 WeakPolarHBondContact O-CB 3.12Å; F288-C291 PolarHBondContact O-N 3.2Å; F288-C291 PolarHBondContact O-SG 3.4Å; F288-I324 WeakPolarHBondContact O-CD1 3.5Å; F288-F426 HydrophobicContact CD1-CE2 4.02Å; F288-F426 AromaticContact CD1-CZ 3.88Å; F288-F426 HydrophobicContact CD1-CZ 3.88Å; F288-F426 AromaticContact CE1-CE2 3.76Å; F288-F426 HydrophobicContact CE1-CE2 3.76Å; F288-F426 AromaticContact CE1-CZ 3.91Å; F288-F426 HydrophobicContact CE1-CZ 3.91Å; F288-F426 HydrophobicContact CG-CZ 4.34Å; F288-F426 HydrophobicContact CZ-CE2 4.43Å; F288-F426 HydrophobicContact CZ-CZ 4.37Å; F288-E429 HydrophobicContact CE1-CB 3.97Å; F288-E429 HydrophobicContact CE1-CG 4.11Å; F288-E429 HydrophobicContact CZ-CB 4.24Å; F288-E429 HydrophobicContact CZ-CG 3.89Å; F288-V432 HydrophobicContact CZ-CG1 4.27Å; F288-V447 HydrophobicContact CD2-CG2 3.79Å; F288-V447 HydrophobicContact CE2-CG2 3.64Å; F288-F448 PolarHBondContact N-O 3.44Å; F288-R454 HydrophobicContact CD2-CG 4.48Å; F288-R454 HydrophobicContact CE2-CG 4.23Å; F288-R454 HydrophobicContact CZ-CG 4.34Å; F288-V458 HydrophobicContact CE2-CG2 3.95Å; F288-V458 HydrophobicContact CZ-CG2 3.96Å
289	S	98.7	Very high	98.7	Very high	53 Å²	53	27.1 Å²	27.1	37%	0.371	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.8	-177.4	69.8	0	0	0	0	113.9	C291 Q321	S289-C291 VanDerWaalsContact C-N 3.27Å; S289-C291 PolarHBondContact O-N 2.85Å; S289-Q321 PolarHBondContact OG-OE1 3.02Å
290	D	98.6	Very high	98.7	Very high	50 Å²	50	26.7 Å²	26.7	27%	0.267	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.1	177.8	78.6	-51.4	0	0	0	113.3	F288 T449 R450 D451 R454	F288-D290 VanDerWaalsContact CB-OD1 3.23Å; F288-D290 WeakPolarHBondContact CB-OD1 3.44Å; F288-D290 PolarHBondContact O-N 3.04Å; D290-T449 WeakPolarHBondContact OD1-CB 3.48Å; D290-T449 PolarHBondContact OD1-OG1 3.15Å; D290-T449 PolarHBondContact OD2-OG1 3.11Å; D290-R450 WeakPolarHBondContact O-CB 3.19Å; D290-R450 WeakPolarHBondContact O-CG 3.15Å; D290-R450 PolarHBondContact OD2-N 3.25Å; D290-D451 PolarHBondContact OD2-N 2.88Å; D290-R454 IonicContact OD1-NH1 3.2Å; D290-R454 PolarHBondContact OD1-NH1 2.94Å; D290-R454 IonicContact OD2-NH1 3.99Å
291	C	98.8	Very high	98.7	Very high	18 Å²	18	28 Å²	28	12%	0.122	15%	0.151	C	C	.	.	S	Bend	trans	-64.2	163.2	-179.9	71.7	0	0	0	0	113.3	I287 F288 S289 M293 A296 F448	I287-C291 HydrophobicContact CG2-CB 4.2Å; I287-C291 VanDerWaalsContact CG2-SG 3.53Å; F288-C291 WeakPolarHBondContact O-CB 3.12Å; F288-C291 PolarHBondContact O-N 3.2Å; F288-C291 PolarHBondContact O-SG 3.4Å; S289-C291 VanDerWaalsContact C-N 3.27Å; S289-C291 PolarHBondContact O-N 2.85Å; C291-M293 PolarHBondContact O-N 3.43Å; C291-A296 HydrophobicContact CB-CB 4.39Å; C291-F448 HydrophobicContact CB-CB 3.92Å
292	D	98.7	Very high	98.7	Very high	44 Å²	44	32.2 Å²	32.2	24%	0.235	17%	0.17	C	C	.	.			trans	-75.3	106.9	158.4	-171.6	-73.6	0	0	0	109.7	N294 N295 A296 R450	D292-N294 VanDerWaalsContact C-N 3.29Å; D292-N294 PolarHBondContact O-N 3.43Å; D292-N294 PolarHBondContact OD1-N 3.44Å; D292-N295 HydrophobicContact CB-CB 4.08Å; D292-N295 PolarHBondContact O-N 2.87Å; D292-N295 PolarHBondContact OD1-N 3.34Å; D292-A296 WeakPolarHBondContact O-CB 3.43Å; D292-A296 PolarHBondContact O-N 2.86Å; D292-R450 VanDerWaalsContact CB-NH2 3.35Å; D292-R450 IonicContact OD2-CZ 2.88Å; D292-R450 IonicContact OD2-NH2 3.24Å; D292-R450 PolarHBondContact OD2-NH2 3.27Å
293	M	98.5	Very high	98.7	Very high	51 Å²	51	32 Å²	32	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-55.4	-42.5	-176	-179.9	60.8	74.3	0	0	112.7	C291 A296 V297 I324 K327 F328	C291-M293 PolarHBondContact O-N 3.43Å; M293-A296 PolarHBondContact O-N 3.19Å; M293-V297 WeakPolarHBondContact O-CG2 3.43Å; M293-V297 PolarHBondContact O-N 3.05Å; M293-V297 HydrophobicContact SD-CG2 4.14Å; M293-I324 HydrophobicContact CE-CB 3.81Å; M293-I324 HydrophobicContact CE-CD1 4.07Å; M293-I324 HydrophobicContact CE-CG1 4.47Å; M293-I324 HydrophobicContact CE-CG2 4.33Å; M293-K327 HydrophobicContact CE-CB 4.25Å; M293-F328 HydrophobicContact CE-CB 4.12Å; M293-F328 HydrophobicContact SD-CB 3.93Å; M293-F328 HydrophobicContact SD-CD2 3.97Å; M293-F328 HydrophobicContact SD-CG 4.47Å
294	N	98.4	Very high	98.7	Very high	109 Å²	109	32 Å²	32	58%	0.583	17%	0.169	S	C	*	.	H	α-helix	trans	-65.9	-43.5	-177.9	-72.2	-26.6	0	0	0	111.4	D292 K298	D292-N294 VanDerWaalsContact C-N 3.29Å; D292-N294 PolarHBondContact O-N 3.43Å; D292-N294 PolarHBondContact OD1-N 3.44Å; N294-K298 WeakPolarHBondContact O-CG 3.25Å; N294-K298 PolarHBondContact O-N 2.78Å; N294-K298 VanDerWaalsContact O-N 3.11Å
295	N	98.7	Very high	98.7	Very high	72 Å²	72	32 Å²	32	39%	0.385	17%	0.168	S	C	.	.	H	α-helix	trans	-71.3	-35.5	176.7	-70.1	-28.8	0	0	0	112.2	D292 K298 G299 F448	D292-N295 HydrophobicContact CB-CB 4.08Å; D292-N295 PolarHBondContact O-N 2.87Å; D292-N295 PolarHBondContact OD1-N 3.34Å; N295-K298 PolarHBondContact O-N 3.16Å; N295-G299 PolarHBondContact O-N 3.39Å; N295-F448 HydrophobicContact CB-CE1 4.12Å; N295-F448 VanDerWaalsContact O-CE1 3.31Å; N295-F448 WeakPolarHBondContact O-CE1 3.49Å
296	A	98.8	Very high	98.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-43.8	176.1	0	0	0	0	0	111.7	I287 C291 D292 M293 G299 A300 F448	I287-A296 HydrophobicContact CD1-CB 4.25Å; I287-A296 HydrophobicContact CG2-CB 3.75Å; C291-A296 HydrophobicContact CB-CB 4.39Å; D292-A296 WeakPolarHBondContact O-CB 3.43Å; D292-A296 PolarHBondContact O-N 2.86Å; M293-A296 PolarHBondContact O-N 3.19Å; A296-G299 PolarHBondContact O-N 3Å; A296-A300 WeakPolarHBondContact O-CB 3.33Å; A296-A300 PolarHBondContact O-N 3.33Å; A296-F448 HydrophobicContact CB-CB 4.18Å; A296-F448 HydrophobicContact CB-CD1 3.94Å; A296-F448 HydrophobicContact CB-CG 4.03Å
297	V	98.9	Very high	98.6	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-48.8	173.9	171.5	0	0	0	0	110.8	M293 G299 A300 L301 F328 E331 V332 Q335	M293-V297 WeakPolarHBondContact O-CG2 3.43Å; M293-V297 PolarHBondContact O-N 3.05Å; M293-V297 HydrophobicContact SD-CG2 4.14Å; V297-G299 VanDerWaalsContact C-N 3.32Å; V297-G299 PolarHBondContact O-N 3.38Å; V297-A300 PolarHBondContact O-N 3.45Å; V297-L301 HydrophobicContact CG1-CD1 4.11Å; V297-L301 HydrophobicContact CG1-CG 4.45Å; V297-L301 VanDerWaalsContact O-CG 3.32Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.4Å; V297-F328 HydrophobicContact CG2-CD2 3.75Å; V297-F328 HydrophobicContact CG2-CE2 3.86Å; V297-E331 HydrophobicContact CG1-CG 4.24Å; V297-E331 HydrophobicContact CG2-CB 4.23Å; V297-E331 HydrophobicContact CG2-CG 4.17Å; V297-V332 HydrophobicContact CG1-CB 4.37Å; V297-Q335 HydrophobicContact CG1-CG 4.29Å
298	K	98.6	Very high	98.5	Very high	130 Å²	130	33.7 Å²	33.7	57%	0.565	18%	0.177	S	C	*	.	H	α-helix	trans	-57.5	-45.3	176.3	-74.7	171.3	177.8	177.2	0	111.9	N294 N295 A300 L301 M302	N294-K298 WeakPolarHBondContact O-CG 3.25Å; N294-K298 PolarHBondContact O-N 2.78Å; N294-K298 VanDerWaalsContact O-N 3.11Å; N295-K298 PolarHBondContact O-N 3.16Å; K298-A300 PolarHBondContact O-N 3.12Å; K298-L301 PolarHBondContact O-N 2.94Å; K298-M302 WeakPolarHBondContact O-CB 3.3Å; K298-M302 VanDerWaalsContact O-CG 3.28Å; K298-M302 WeakPolarHBondContact O-CG 3.38Å; K298-M302 PolarHBondContact O-N 3.03Å
299	G	98.8	Very high	98.5	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	18%	0.177	C	C	.	.	H	α-helix	trans	-58.7	-46.1	176.6	0	0	0	0	0	111.9	N295 A296 V297 L301 M302 A303	N295-G299 PolarHBondContact O-N 3.39Å; A296-G299 PolarHBondContact O-N 3Å; V297-G299 VanDerWaalsContact C-N 3.32Å; V297-G299 PolarHBondContact O-N 3.38Å; G299-L301 PolarHBondContact O-N 2.85Å; G299-M302 PolarHBondContact O-N 3.48Å; G299-A303 WeakPolarHBondContact O-CB 3.45Å; G299-A303 PolarHBondContact O-N 2.96Å
300	A	98.8	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-40.7	177.9	0	0	0	0	0	113	L285 A296 V297 K298 A303 N304 V318 F328 M421	L285-A300 HydrophobicContact CD2-CB 3.88Å; A296-A300 WeakPolarHBondContact O-CB 3.33Å; A296-A300 PolarHBondContact O-N 3.33Å; V297-A300 PolarHBondContact O-N 3.45Å; K298-A300 PolarHBondContact O-N 3.12Å; A300-A303 PolarHBondContact O-N 3.37Å; A300-N304 WeakPolarHBondContact O-CB 3.1Å; A300-N304 PolarHBondContact O-N 3Å; A300-N304 PolarHBondContact O-ND2 3.46Å; A300-V318 HydrophobicContact CB-CG1 4.44Å; A300-F328 HydrophobicContact CB-CE2 4.21Å; A300-F328 HydrophobicContact CB-CZ 3.67Å; A300-M421 HydrophobicContact CB-CE 3.93Å; A300-M421 VanDerWaalsContact O-CE 3.24Å; A300-M421 WeakPolarHBondContact O-CE 3.2Å
301	L	98.8	Very high	98.5	Very high	31 Å²	31	29.2 Å²	29.2	16%	0.162	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-50.1	174.4	-65.3	169.3	0	0	0	111	V297 K298 G299 A303 N304 F305 V332 Q335 T336	V297-L301 HydrophobicContact CG1-CD1 4.11Å; V297-L301 HydrophobicContact CG1-CG 4.45Å; V297-L301 VanDerWaalsContact O-CG 3.32Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.4Å; K298-L301 PolarHBondContact O-N 2.94Å; G299-L301 PolarHBondContact O-N 2.85Å; L301-A303 VanDerWaalsContact C-N 3.27Å; L301-A303 PolarHBondContact O-N 3.22Å; L301-N304 PolarHBondContact O-N 3.1Å; L301-N304 VanDerWaalsContact O-N 3.13Å; L301-F305 HydrophobicContact CB-CD2 4.33Å; L301-F305 HydrophobicContact CD2-CD2 3.78Å; L301-F305 HydrophobicContact CD2-CE2 3.71Å; L301-F305 PolarHBondContact O-N 3.24Å; L301-V332 HydrophobicContact CD2-CG2 3.93Å; L301-V332 HydrophobicContact CG-CG2 4.38Å; L301-Q335 HydrophobicContact CD1-CB 3.58Å; L301-Q335 HydrophobicContact CD1-CG 4.29Å; L301-Q335 HydrophobicContact CD2-CB 4.24Å; L301-T336 WeakPolarHBondContact CD2-OG1 3.13Å
302	M	98.1	Very high	98.5	Very high	91 Å²	91	29.7 Å²	29.7	45%	0.448	15%	0.153	S	C	.	.	H	α-helix	trans	-61.3	-37.4	178.1	-69.8	-62.8	-74.8	0	0	111.8	K298 G299 N304 L306 N473	K298-M302 WeakPolarHBondContact O-CB 3.3Å; K298-M302 VanDerWaalsContact O-CG 3.28Å; K298-M302 WeakPolarHBondContact O-CG 3.38Å; K298-M302 PolarHBondContact O-N 3.03Å; G299-M302 PolarHBondContact O-N 3.48Å; M302-N304 PolarHBondContact O-N 3.37Å; M302-L306 HydrophobicContact CE-CD1 3.79Å; M302-L306 HydrophobicContact CE-CD2 3.89Å; M302-L306 HydrophobicContact CE-CG 4.09Å; M302-L306 WeakPolarHBondContact O-CG 3.31Å; M302-L306 HydrophobicContact SD-CD2 4.09Å; M302-L306 HydrophobicContact SD-CG 4.29Å; M302-N473 PolarHBondContact O-ND2 2.92Å
303	A	98.4	Very high	98.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.5	-7.6	178	0	0	0	0	0	114.5	L285 G299 A300 L301 N314 G315 Y472	L285-A303 HydrophobicContact CD2-CB 4.14Å; G299-A303 WeakPolarHBondContact O-CB 3.45Å; G299-A303 PolarHBondContact O-N 2.96Å; A300-A303 PolarHBondContact O-N 3.37Å; L301-A303 VanDerWaalsContact C-N 3.27Å; L301-A303 PolarHBondContact O-N 3.22Å; A303-N314 CarbonylContact O-C 3.55Å; A303-N314 VanDerWaalsContact O-C 3.32Å; A303-N314 WeakPolarHBondContact O-CA 3.35Å; A303-N314 WeakPolarHBondContact O-CB 3.46Å; A303-N314 PolarHBondContact O-OD1 3.45Å; A303-G315 PolarHBondContact O-N 3.15Å; A303-Y472 HydrophobicContact CB-CD1 3.3Å; A303-Y472 HydrophobicContact CB-CD2 4.05Å; A303-Y472 HydrophobicContact CB-CE1 3.71Å; A303-Y472 HydrophobicContact CB-CE2 4.36Å; A303-Y472 HydrophobicContact CB-CG 3.51Å
304	N	98.8	Very high	98.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-132	-27.4	-172.1	-80	-90.8	0	0	0	114.5	A300 L301 M302 G309 G315 T316 M421	A300-N304 WeakPolarHBondContact O-CB 3.1Å; A300-N304 PolarHBondContact O-N 3Å; A300-N304 PolarHBondContact O-ND2 3.46Å; L301-N304 PolarHBondContact O-N 3.1Å; L301-N304 VanDerWaalsContact O-N 3.13Å; M302-N304 PolarHBondContact O-N 3.37Å; N304-G309 WeakPolarHBondContact O-CA 3.28Å; N304-G315 PolarHBondContact ND2-O 3.38Å; N304-T316 WeakPolarHBondContact OD1-CA 3.2Å; N304-M421 HydrophobicContact CB-CB 4.26Å; N304-M421 HydrophobicContact CB-CE 3.82Å; N304-M421 WeakPolarHBondContact ND2-CE 3.2Å; N304-M421 WeakPolarHBondContact OD1-CA 3.47Å
305	F	98.7	Very high	98.5	Very high	10 Å²	10	20.5 Å²	20.5	4%	0.044	11%	0.105	C	C	.	.	H	α-helix	trans	-119.4	-7	-165.3	-57.6	-46.5	0	0	0	115.1	L301 T336 I339 M351 P399 V401 P419 M421	L301-F305 HydrophobicContact CB-CD2 4.33Å; L301-F305 HydrophobicContact CD2-CD2 3.78Å; L301-F305 HydrophobicContact CD2-CE2 3.71Å; L301-F305 PolarHBondContact O-N 3.24Å; F305-T336 HydrophobicContact CE1-CG2 4.5Å; F305-T336 HydrophobicContact CE2-CG2 3.81Å; F305-T336 WeakPolarHBondContact CE2-OG1 3.46Å; F305-T336 HydrophobicContact CZ-CG2 3.78Å; F305-I339 HydrophobicContact CB-CD1 3.98Å; F305-I339 HydrophobicContact CD2-CD1 3.77Å; F305-I339 HydrophobicContact CG-CD1 3.96Å; F305-M351 HydrophobicContact CB-CE 3.67Å; F305-M351 HydrophobicContact CD1-CE 4.26Å; F305-M351 HydrophobicContact CG-CE 4.26Å; F305-M351 WeakPolarHBondContact O-CE 3.4Å; F305-P399 HydrophobicContact CD1-CB 3.89Å; F305-P399 HydrophobicContact CE1-CB 3.85Å; F305-P399 HydrophobicContact CG-CB 4.49Å; F305-P399 HydrophobicContact CZ-CB 4.4Å; F305-V401 HydrophobicContact CZ-CG2 4.18Å; F305-P419 HydrophobicContact CD1-CB 3.84Å; F305-P419 HydrophobicContact CE1-CB 4.29Å; F305-M421 HydrophobicContact CE2-CE 3.89Å; F305-M421 HydrophobicContact CZ-CB 4.12Å; F305-M421 HydrophobicContact CZ-CE 4.09Å
306	L	97.1	Very high	98.5	Very high	35 Å²	35	17.8 Å²	17.8	18%	0.183	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-56.7	141	166.7	-74	-179.4	0	0	0	110.8	E129 M302 Q308 G309 V311 N473	E129-L306 HydrophobicContact CG-CD2 4.27Å; M302-L306 HydrophobicContact CE-CD1 3.79Å; M302-L306 HydrophobicContact CE-CD2 3.89Å; M302-L306 HydrophobicContact CE-CG 4.09Å; M302-L306 WeakPolarHBondContact O-CG 3.31Å; M302-L306 HydrophobicContact SD-CD2 4.09Å; M302-L306 HydrophobicContact SD-CG 4.29Å; L306-Q308 PolarHBondContact O-N 3.49Å; L306-G309 WeakPolarHBondContact O-CA 3.37Å; L306-G309 PolarHBondContact O-N 2.95Å; L306-V311 HydrophobicContact CB-CG2 4.27Å; L306-V311 WeakPolarHBondContact O-CG2 3.41Å; L306-N473 HydrophobicContact CD1-CB 4Å
307	T	97.8	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	49	46.5	176.7	-63.8	0	0	0	0	110.9	K125 E129 Y182 G309 Q310	K125-T307 HydrophobicContact CB-CG2 4.39Å; K125-T307 PolarHBondContact NZ-OG1 3.47Å; E129-T307 PolarHBondContact OE1-N 2.78Å; E129-T307 WeakPolarHBondContact OE2-CA 3.25Å; E129-T307 PolarHBondContact OE2-N 3.06Å; E129-T307 PolarHBondContact OE2-OG1 3.25Å; Y182-T307 HydrophobicContact CE2-CG2 4.38Å; Y182-T307 PolarHBondContact OH-OG1 3.43Å; T307-G309 PolarHBondContact O-N 3.18Å; T307-G309 VanDerWaalsContact O-N 3.15Å; T307-Q310 HydrophobicContact CG2-CB 4.4Å; T307-Q310 WeakPolarHBondContact O-CB 3.33Å; T307-Q310 WeakPolarHBondContact O-CG 3.35Å; T307-Q310 PolarHBondContact O-N 3.5Å; T307-Q310 PolarHBondContact O-NE2 3.42Å; T307-Q310 VanDerWaalsContact O-NE2 3.11Å
308	Q	98.4	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	54.5	30.4	-176.6	-61.4	73.5	-103.3	0	0	113.9	G124 L306 Q310 M351 G352 P353 L354 G418 P419	G124-Q308 PolarHBondContact O-NE2 2.77Å; L306-Q308 PolarHBondContact O-N 3.49Å; Q308-Q310 HydrophobicContact CB-CG 4.36Å; Q308-Q310 PolarHBondContact O-N 3.18Å; Q308-M351 HydrophobicContact CB-CG 4.43Å; Q308-M351 HydrophobicContact CG-CG 3.73Å; Q308-G352 WeakPolarHBondContact CG-O 3.39Å; Q308-P353 WeakPolarHBondContact CG-O 2.81Å; Q308-P353 PolarHBondContact NE2-O 2.93Å; Q308-L354 HydrophobicContact CB-CD1 4.47Å; Q308-L354 HydrophobicContact CB-CG 4.34Å; Q308-G418 CarbonylContact O-C 3.5Å; Q308-P419 WeakPolarHBondContact O-CD 3.19Å; Q308-P419 VanDerWaalsContact O-N 3.15Å
309	G	98.6	Very high	98.5	Very high	2 Å²	2	11.7 Å²	11.7	2%	0.021	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	72.1	11.8	-175.3	0	0	0	0	0	115	N304 L306 T307 V311 N314 F417 G418	N304-G309 WeakPolarHBondContact O-CA 3.28Å; L306-G309 WeakPolarHBondContact O-CA 3.37Å; L306-G309 PolarHBondContact O-N 2.95Å; T307-G309 PolarHBondContact O-N 3.18Å; T307-G309 VanDerWaalsContact O-N 3.15Å; G309-V311 VanDerWaalsContact C-N 3.26Å; G309-V311 PolarHBondContact O-N 3.33Å; G309-N314 WeakPolarHBondContact CA-ND2 3.36Å; G309-N314 PolarHBondContact O-ND2 2.65Å; G309-F417 CarbonylContact O-C 3.57Å; G309-G418 PolarHBondContact O-N 2.95Å
310	Q	98.8	Very high	98.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.			trans	-92.4	49.7	-178.1	-53	166.2	124.9	0	0	110.7	W180 N181 T307 Q308 H359 F417	W180-Q310 HydrophobicContact CH2-CB 3.79Å; W180-Q310 HydrophobicContact CH2-CG 3.79Å; W180-Q310 VanDerWaalsContact CH2-OE1 3.32Å; W180-Q310 HydrophobicContact CZ3-CB 3.71Å; W180-Q310 HydrophobicContact CZ3-CG 3.9Å; W180-Q310 VanDerWaalsContact CZ3-OE1 3.28Å; N181-Q310 HydrophobicContact CB-CB 4.4Å; N181-Q310 WeakPolarHBondContact CB-O 3.5Å; N181-Q310 PolarHBondContact ND2-O 3Å; T307-Q310 HydrophobicContact CG2-CB 4.4Å; T307-Q310 WeakPolarHBondContact O-CB 3.33Å; T307-Q310 WeakPolarHBondContact O-CG 3.35Å; T307-Q310 PolarHBondContact O-N 3.5Å; T307-Q310 PolarHBondContact O-NE2 3.42Å; T307-Q310 VanDerWaalsContact O-NE2 3.11Å; Q308-Q310 HydrophobicContact CB-CG 4.36Å; Q308-Q310 PolarHBondContact O-N 3.18Å; Q310-H359 PolarHBondContact OE1-CD2 3.25Å; Q310-F417 HydrophobicContact CB-CD1 3.95Å; Q310-F417 HydrophobicContact CB-CE1 3.78Å; Q310-F417 HydrophobicContact CB-CZ 4.34Å; Q310-F417 HydrophobicContact CG-CD1 4.4Å; Q310-F417 WeakPolarHBondContact CG-O 3.41Å; Q310-F417 VanDerWaalsContact O-CZ 3.32Å; Q310-F417 WeakPolarHBondContact O-CZ 3.44Å
311	V	98.8	Very high	98.5	Very high	10 Å²	10	12.5 Å²	12.5	6%	0.061	7%	0.067	C	C	.	.			trans	-124.1	126.5	-178.9	-168.8	0	0	0	0	108.5	Y182 L306 G309 C313 N314	Y182-V311 HydrophobicContact CE2-CB 4.36Å; Y182-V311 HydrophobicContact CE2-CG1 4.04Å; Y182-V311 HydrophobicContact CE2-CG2 3.95Å; Y182-V311 WeakPolarHBondContact OH-CG2 3.45Å; L306-V311 HydrophobicContact CB-CG2 4.27Å; L306-V311 WeakPolarHBondContact O-CG2 3.41Å; G309-V311 VanDerWaalsContact C-N 3.26Å; G309-V311 PolarHBondContact O-N 3.33Å; V311-C313 VanDerWaalsContact C-N 3.31Å; V311-C313 PolarHBondContact O-N 3.09Å; V311-N314 WeakPolarHBondContact CB-OD1 3.3Å; V311-N314 WeakPolarHBondContact O-CB 3.19Å; V311-N314 PolarHBondContact O-N 2.84Å
312	C	97.9	Very high	98.5	Very high	28 Å²	28	16.9 Å²	16.9	19%	0.189	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-36.8	-172.2	50.9	0	0	0	0	112.9	N314 F417 L443	C312-N314 VanDerWaalsContact C-N 3.31Å; C312-N314 PolarHBondContact O-N 2.98Å; C312-F417 HydrophobicContact CB-CE2 4.35Å; C312-L443 VanDerWaalsContact C-CD2 3.42Å; C312-L443 HydrophobicContact CB-CD2 3.56Å; C312-L443 WeakPolarHBondContact O-CD2 3.28Å
313	C	98.3	Very high	98.5	Very high	6 Å²	6	18.6 Å²	18.6	4%	0.041	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.9	-177.2	57.5	0	0	0	0	114.6	S283 V311 G315 L443 A444 Y472 N473 F481	S283-C313 WeakPolarHBondContact CB-O 3.32Å; S283-C313 PolarHBondContact OG-O 3.2Å; V311-C313 VanDerWaalsContact C-N 3.31Å; V311-C313 PolarHBondContact O-N 3.09Å; C313-G315 PolarHBondContact O-N 3.46Å; C313-L443 HydrophobicContact CB-CD2 4.1Å; C313-L443 HydrophobicContact CB-CG 4.32Å; C313-A444 HydrophobicContact CB-CB 3.7Å; C313-Y472 WeakPolarHBondContact O-CE1 3.31Å; C313-Y472 PolarHBondContact O-OH 3.44Å; C313-N473 PolarHBondContact SG-OD1 3.47Å; C313-F481 HydrophobicContact CB-CE2 4.09Å; C313-F481 HydrophobicContact CB-CZ 4.24Å
314	N	98.8	Very high	98.5	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.096	C	C	.	.			trans	-50.4	132.8	-177	-88.3	-9.2	0	0	0	113.2	S283 A303 G309 V311 C312 T316 N473	S283-N314 WeakPolarHBondContact CB-O 3.1Å; A303-N314 CarbonylContact O-C 3.55Å; A303-N314 VanDerWaalsContact O-C 3.32Å; A303-N314 WeakPolarHBondContact O-CA 3.35Å; A303-N314 WeakPolarHBondContact O-CB 3.46Å; A303-N314 PolarHBondContact O-OD1 3.45Å; G309-N314 WeakPolarHBondContact CA-ND2 3.36Å; G309-N314 PolarHBondContact O-ND2 2.65Å; V311-N314 WeakPolarHBondContact CB-OD1 3.3Å; V311-N314 WeakPolarHBondContact O-CB 3.19Å; V311-N314 PolarHBondContact O-N 2.84Å; C312-N314 VanDerWaalsContact C-N 3.31Å; C312-N314 PolarHBondContact O-N 2.98Å; N314-T316 HydrophobicContact CB-CG2 3.78Å; N314-T316 PolarHBondContact O-N 3.35Å; N314-N473 PolarHBondContact OD1-ND2 3.18Å
315	G	98.6	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.			trans	-75.1	60.4	177.9	0	0	0	0	0	111.9	S283 A303 N304 C313 R317 V318 Y472	S283-G315 CarbonylContact O-C 3.58Å; S283-G315 WeakPolarHBondContact O-CA 3.36Å; A303-G315 PolarHBondContact O-N 3.15Å; N304-G315 PolarHBondContact ND2-O 3.38Å; C313-G315 PolarHBondContact O-N 3.46Å; G315-R317 VanDerWaalsContact C-N 3.25Å; G315-R317 PolarHBondContact O-N 3.08Å; G315-V318 VanDerWaalsContact O-CG2 3.3Å; G315-V318 WeakPolarHBondContact O-CG2 3.38Å; G315-Y472 VanDerWaalsContact CA-OH 3.23Å; G315-Y472 WeakPolarHBondContact CA-OH 3.47Å; G315-Y472 PolarHBondContact N-OH 2.84Å
316	T	98.8	Very high	98.5	Very high	15 Å²	15	26.9 Å²	26.9	9%	0.092	14%	0.136	C	C	.	.			trans	-75	-10.9	-169.6	60	0	0	0	0	114.6	K282 S283 N304 N314 S422	K282-T316 VanDerWaalsContact CD-OG1 3.31Å; K282-T316 WeakPolarHBondContact CD-OG1 3.48Å; K282-T316 WeakPolarHBondContact CE-OG1 3.45Å; K282-T316 PolarHBondContact NZ-OG1 2.98Å; S283-T316 PolarHBondContact O-N 2.81Å; N304-T316 WeakPolarHBondContact OD1-CA 3.2Å; N314-T316 HydrophobicContact CB-CG2 3.78Å; N314-T316 PolarHBondContact O-N 3.35Å; T316-S422 PolarHBondContact O-N 3.39Å
317	R	98.9	Very high	98.6	Very high	8 Å²	8	32.5 Å²	32.5	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	100.9	165.4	-62.8	-176	-66.7	143	0.3	108.7	K282 S283 P284 L285 G315 F319 V412 L424 R435 A436	K282-R317 HydrophobicContact CD-CG 4.37Å; K282-R317 HydrophobicContact CG-CG 4.04Å; K282-R317 PolarHBondContact O-NE 3.5Å; K282-R317 PolarHBondContact O-NH2 3.27Å; S283-R317 PolarHBondContact O-N 3.31Å; P284-R317 WeakPolarHBondContact CA-O 3.15Å; L285-R317 PolarHBondContact N-O 3.47Å; G315-R317 VanDerWaalsContact C-N 3.25Å; G315-R317 PolarHBondContact O-N 3.08Å; R317-F319 HydrophobicContact CB-CD2 4.28Å; R317-F319 HydrophobicContact CB-CE2 3.66Å; R317-F319 HydrophobicContact CB-CZ 4.28Å; R317-V412 WeakPolarHBondContact CD-O 3.4Å; R317-V412 HydrophobicContact CG-CG1 4.09Å; R317-L424 HydrophobicContact CB-CD1 4.07Å; R317-L424 HydrophobicContact CG-CD1 4.47Å; R317-R435 PolarHBondContact NH1-O 2.93Å; R317-A436 PolarHBondContact NH2-O 3.38Å
318	V	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	101.4	179.9	-174.2	0	0	0	0	108.4	L285 I287 A300 G315 V320 F328 M421 S422 I423 L424	L285-V318 HydrophobicContact CB-CG2 4.44Å; L285-V318 HydrophobicContact CD2-CG1 4.37Å; L285-V318 HydrophobicContact CD2-CG2 4.35Å; L285-V318 HydrophobicContact CG-CG1 4.5Å; L285-V318 CarbonylContact O-C 3.57Å; L285-V318 WeakPolarHBondContact O-CA 3.12Å; I287-V318 HydrophobicContact CD1-CG1 3.7Å; I287-V318 HydrophobicContact CG1-CG1 4.46Å; A300-V318 HydrophobicContact CB-CG1 4.44Å; G315-V318 VanDerWaalsContact O-CG2 3.3Å; G315-V318 WeakPolarHBondContact O-CG2 3.38Å; V318-V320 HydrophobicContact CG1-CG2 3.9Å; V318-F328 HydrophobicContact CG1-CE1 3.97Å; V318-F328 HydrophobicContact CG1-CZ 3.88Å; V318-M421 HydrophobicContact CB-CG 4.38Å; V318-M421 HydrophobicContact CG2-CE 4.34Å; V318-M421 HydrophobicContact CG2-CG 3.61Å; V318-M421 HydrophobicContact CG2-SD 3.91Å; V318-S422 PolarHBondContact N-O 2.98Å; V318-I423 WeakPolarHBondContact O-CA 3.47Å; V318-L424 PolarHBondContact O-N 3.2Å
319	F	98.9	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122	175.1	-65.7	-88	0	0	0	109.5	P284 L285 I286 I287 R317 L424 F426 V432 R435	P284-F319 HydrophobicContact CB-CD2 4.05Å; P284-F319 HydrophobicContact CB-CE2 3.82Å; L285-F319 PolarHBondContact O-N 3.15Å; I286-F319 CarbonylContact C-O 3.57Å; I286-F319 HydrophobicContact CG1-CB 4.37Å; I286-F319 HydrophobicContact CG1-CD2 4.48Å; I287-F319 PolarHBondContact N-O 2.72Å; R317-F319 HydrophobicContact CB-CD2 4.28Å; R317-F319 HydrophobicContact CB-CE2 3.66Å; R317-F319 HydrophobicContact CB-CZ 4.28Å; F319-L424 CarbonylContact C-O 3.56Å; F319-L424 VanDerWaalsContact CA-O 3.28Å; F319-L424 WeakPolarHBondContact CA-O 3.35Å; F319-L424 HydrophobicContact CD1-CB 3.82Å; F319-L424 HydrophobicContact CE1-CB 3.98Å; F319-L424 HydrophobicContact CE1-CD1 4.37Å; F319-L424 HydrophobicContact CE1-CD2 4.12Å; F319-L424 HydrophobicContact CE1-CG 4.38Å; F319-L424 HydrophobicContact CZ-CD1 4.44Å; F319-F426 HydrophobicContact CB-CD1 3.85Å; F319-F426 HydrophobicContact CB-CE1 4.18Å; F319-V432 HydrophobicContact CB-CG2 3.56Å; F319-V432 HydrophobicContact CD1-CG2 3.83Å; F319-V432 HydrophobicContact CD2-CG2 4.35Å; F319-V432 HydrophobicContact CG-CG2 3.67Å; F319-R435 HydrophobicContact CE1-CB 4.12Å; F319-R435 HydrophobicContact CZ-CB 4.36Å
320	V	98.9	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130	-176.7	-172.5	0	0	0	0	109.6	I287 V318 K322 I324 L325 F328 I423 L424 S425 F426	I287-V320 HydrophobicContact CD1-CG2 4.37Å; V318-V320 HydrophobicContact CG1-CG2 3.9Å; V320-K322 PolarHBondContact O-N 3.47Å; V320-I324 HydrophobicContact CG1-CD1 4.13Å; V320-I324 HydrophobicContact CG1-CG1 3.9Å; V320-L325 HydrophobicContact CB-CD1 3.95Å; V320-L325 HydrophobicContact CG1-CD1 4.31Å; V320-F328 HydrophobicContact CB-CD1 4.45Å; V320-F328 HydrophobicContact CG1-CB 4.01Å; V320-F328 HydrophobicContact CG1-CD1 4.14Å; V320-F328 HydrophobicContact CG1-CG 4.07Å; V320-F328 HydrophobicContact CG2-CD1 3.56Å; V320-F328 HydrophobicContact CG2-CE1 3.64Å; V320-F328 HydrophobicContact CG2-CG 4.19Å; V320-F328 HydrophobicContact CG2-CZ 4.34Å; V320-I423 HydrophobicContact CG2-CG2 4.11Å; V320-L424 PolarHBondContact N-O 3.42Å; V320-S425 WeakPolarHBondContact O-CA 3.37Å; V320-F426 VanDerWaalsContact C-CD1 3.42Å; V320-F426 WeakPolarHBondContact O-CD1 3.4Å; V320-F426 PolarHBondContact O-N 3.25Å
321	Q	98.8	Very high	98.7	Very high	22 Å²	22	42.3 Å²	42.3	10%	0.103	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	136.1	-179.9	-151.2	-176.7	-17.6	0	0	110.4	I287 S289 E323 I324 L325 F426	I287-Q321 PolarHBondContact O-N 3.43Å; S289-Q321 PolarHBondContact OG-OE1 3.02Å; Q321-E323 WeakPolarHBondContact CG-OE2 3.46Å; Q321-E323 PolarHBondContact NE2-OE2 3.07Å; Q321-E323 PolarHBondContact O-N 3.21Å; Q321-I324 VanDerWaalsContact O-CG1 3.28Å; Q321-I324 WeakPolarHBondContact O-CG1 3.25Å; Q321-I324 PolarHBondContact O-N 3.37Å; Q321-L325 PolarHBondContact O-N 3.45Å; Q321-F426 HydrophobicContact CB-CE1 3.9Å; Q321-F426 HydrophobicContact CB-CE2 3.98Å; Q321-F426 HydrophobicContact CB-CZ 3.59Å; Q321-F426 HydrophobicContact CG-CD2 4.16Å; Q321-F426 HydrophobicContact CG-CE1 4.44Å; Q321-F426 HydrophobicContact CG-CE2 3.65Å; Q321-F426 HydrophobicContact CG-CZ 3.81Å
322	K	98.4	Very high	98.7	Very high	122 Å²	122	41.9 Å²	41.9	53%	0.53	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-52.5	-36.1	-166.9	-168.3	172.5	-177.1	174.3	0	114.7	V320 I324 L325 F426 D427	V320-K322 PolarHBondContact O-N 3.47Å; K322-I324 PolarHBondContact O-N 3.21Å; K322-L325 PolarHBondContact O-N 2.71Å; K322-F426 PolarHBondContact N-O 2.94Å; K322-F426 VanDerWaalsContact N-O 3.09Å; K322-D427 WeakPolarHBondContact CD-OD1 3.46Å; K322-D427 IonicContact NZ-OD1 3.28Å; K322-D427 PolarHBondContact NZ-OD1 2.78Å
323	E	98.4	Very high	98.7	Very high	127 Å²	127	41.5 Å²	41.5	59%	0.593	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-62.8	-25.6	-178.2	-61.5	79.1	-174.6	0	0	113.5	Q321	Q321-E323 WeakPolarHBondContact CG-OE2 3.46Å; Q321-E323 PolarHBondContact NE2-OE2 3.07Å; Q321-E323 PolarHBondContact O-N 3.21Å
324	I	98.7	Very high	98.8	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.108	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-115.7	1.3	-176.9	62.2	158.5	0	0	0	113.3	I287 F288 M293 V320 Q321 K322 D326 K327 F328	I287-I324 HydrophobicContact CG2-CD1 3.92Å; F288-I324 WeakPolarHBondContact O-CD1 3.5Å; M293-I324 HydrophobicContact CE-CB 3.81Å; M293-I324 HydrophobicContact CE-CD1 4.07Å; M293-I324 HydrophobicContact CE-CG1 4.47Å; M293-I324 HydrophobicContact CE-CG2 4.33Å; V320-I324 HydrophobicContact CG1-CD1 4.13Å; V320-I324 HydrophobicContact CG1-CG1 3.9Å; Q321-I324 VanDerWaalsContact O-CG1 3.28Å; Q321-I324 WeakPolarHBondContact O-CG1 3.25Å; Q321-I324 PolarHBondContact O-N 3.37Å; K322-I324 PolarHBondContact O-N 3.21Å; I324-D326 PolarHBondContact O-N 3.42Å; I324-K327 PolarHBondContact O-N 2.85Å; I324-F328 WeakPolarHBondContact O-CB 3.3Å; I324-F328 PolarHBondContact O-N 2.95Å
325	L	98.8	Very high	98.7	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-54.4	-51.7	-173.3	178.1	66.8	0	0	0	112.7	V320 Q321 K322 F328 T329 I423	V320-L325 HydrophobicContact CB-CD1 3.95Å; V320-L325 HydrophobicContact CG1-CD1 4.31Å; Q321-L325 PolarHBondContact O-N 3.45Å; K322-L325 PolarHBondContact O-N 2.71Å; L325-F328 PolarHBondContact O-N 2.93Å; L325-T329 WeakPolarHBondContact O-CB 3.36Å; L325-T329 PolarHBondContact O-N 3.23Å; L325-T329 PolarHBondContact O-OG1 2.85Å; L325-I423 HydrophobicContact CD1-CG2 3.76Å
326	D	98.5	Very high	98.8	Very high	134 Å²	134	47.6 Å²	47.6	72%	0.717	23%	0.226	S	C	*	.	H	α-helix	trans	-63.9	-47.6	-175	-69.2	-18.3	0	0	0	111.4	I324 F328 T329 E330	I324-D326 PolarHBondContact O-N 3.42Å; D326-F328 PolarHBondContact O-N 3.3Å; D326-T329 PolarHBondContact O-N 2.96Å; D326-E330 WeakPolarHBondContact O-CB 3.42Å; D326-E330 PolarHBondContact O-N 3.45Å
327	K	98.6	Very high	98.7	Very high	153 Å²	153	53.1 Å²	53.1	67%	0.665	25%	0.251	S	S	*	.	H	α-helix	trans	-63.1	-43.4	179.3	-68.2	-178.5	-179.7	175.3	0	112	M293 I324 E331	M293-K327 HydrophobicContact CE-CB 4.25Å; I324-K327 PolarHBondContact O-N 2.85Å; K327-E331 PolarHBondContact O-N 2.86Å
328	F	98.9	Very high	98.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-46.7	176.1	174.6	-91.4	0	0	0	111	I287 M293 V297 A300 V318 V320 I324 L325 D326 E330 E331 V332 I423	I287-F328 HydrophobicContact CD1-CD2 4.09Å; I287-F328 HydrophobicContact CD1-CE1 4.32Å; I287-F328 HydrophobicContact CD1-CE2 3.32Å; I287-F328 HydrophobicContact CD1-CZ 3.46Å; I287-F328 VanDerWaalsContact CD1-CZ 3.46Å; M293-F328 HydrophobicContact CE-CB 4.12Å; M293-F328 HydrophobicContact SD-CB 3.93Å; M293-F328 HydrophobicContact SD-CD2 3.97Å; M293-F328 HydrophobicContact SD-CG 4.47Å; V297-F328 HydrophobicContact CG2-CD2 3.75Å; V297-F328 HydrophobicContact CG2-CE2 3.86Å; A300-F328 HydrophobicContact CB-CE2 4.21Å; A300-F328 HydrophobicContact CB-CZ 3.67Å; V318-F328 HydrophobicContact CG1-CE1 3.97Å; V318-F328 HydrophobicContact CG1-CZ 3.88Å; V320-F328 HydrophobicContact CB-CD1 4.45Å; V320-F328 HydrophobicContact CG1-CB 4.01Å; V320-F328 HydrophobicContact CG1-CD1 4.14Å; V320-F328 HydrophobicContact CG1-CG 4.07Å; V320-F328 HydrophobicContact CG2-CD1 3.56Å; V320-F328 HydrophobicContact CG2-CE1 3.64Å; V320-F328 HydrophobicContact CG2-CG 4.19Å; V320-F328 HydrophobicContact CG2-CZ 4.34Å; I324-F328 WeakPolarHBondContact O-CB 3.3Å; I324-F328 PolarHBondContact O-N 2.95Å; L325-F328 PolarHBondContact O-N 2.93Å; D326-F328 PolarHBondContact O-N 3.3Å; F328-E330 PolarHBondContact O-N 2.79Å; F328-E331 PolarHBondContact O-N 2.85Å; F328-V332 HydrophobicContact CD1-CG1 4.3Å; F328-V332 HydrophobicContact CE1-CB 4.29Å; F328-V332 HydrophobicContact CE1-CG1 4Å; F328-V332 HydrophobicContact CZ-CB 4.36Å; F328-V332 HydrophobicContact CZ-CG2 4.46Å; F328-V332 WeakPolarHBondContact O-CB 3.44Å; F328-V332 WeakPolarHBondContact O-CG1 3.25Å; F328-V332 PolarHBondContact O-N 3.42Å; F328-I423 HydrophobicContact CE1-CD1 4.22Å
329	T	98.8	Very high	98.7	Very high	18 Å²	18	62.1 Å²	62.1	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-43.2	-177.8	-60.9	0	0	0	0	111.5	L325 D326 V332 V333 L378 I423	L325-T329 WeakPolarHBondContact O-CB 3.36Å; L325-T329 PolarHBondContact O-N 3.23Å; L325-T329 PolarHBondContact O-OG1 2.85Å; D326-T329 PolarHBondContact O-N 2.96Å; T329-V332 WeakPolarHBondContact O-CG1 3.42Å; T329-V333 HydrophobicContact CG2-CG2 4.49Å; T329-V333 WeakPolarHBondContact O-CB 3.38Å; T329-V333 WeakPolarHBondContact O-CG2 3.35Å; T329-V333 PolarHBondContact O-N 3.08Å; T329-V333 VanDerWaalsContact O-N 3.14Å; T329-L378 HydrophobicContact CG2-CD1 3.22Å; T329-I423 HydrophobicContact CG2-CD1 4.27Å
330	E	98.8	Very high	98.7	Very high	145 Å²	145	66.2 Å²	66.2	68%	0.678	31%	0.305	S	S	*	.	H	α-helix	trans	-59.5	-51.3	176.2	-175.7	-177.8	176.9	0	0	111.5	D326 F328 V333 K334	D326-E330 WeakPolarHBondContact O-CB 3.42Å; D326-E330 PolarHBondContact O-N 3.45Å; F328-E330 PolarHBondContact O-N 2.79Å; E330-V333 PolarHBondContact O-N 2.63Å; E330-K334 WeakPolarHBondContact O-CB 3.43Å; E330-K334 PolarHBondContact O-N 3.47Å; E330-K334 VanDerWaalsContact O-N 3.09Å
331	E	98.8	Very high	98.6	Very high	46 Å²	46	67.3 Å²	67.3	22%	0.215	31%	0.31	C	S	.	.	H	α-helix	trans	-70.3	-39.8	-175.4	-172.1	58.9	-154.1	0	0	111.9	V297 K327 F328 V333 K334 Q335	V297-E331 HydrophobicContact CG1-CG 4.24Å; V297-E331 HydrophobicContact CG2-CB 4.23Å; V297-E331 HydrophobicContact CG2-CG 4.17Å; K327-E331 PolarHBondContact O-N 2.86Å; F328-E331 PolarHBondContact O-N 2.85Å; E331-V333 PolarHBondContact O-N 3.13Å; E331-K334 PolarHBondContact O-N 3.08Å; E331-K334 IonicContact OE1-NZ 3.36Å; E331-K334 IonicContact OE2-NZ 2.75Å; E331-K334 PolarHBondContact OE2-NZ 3.25Å; E331-Q335 HydrophobicContact CG-CG 4.45Å; E331-Q335 VanDerWaalsContact O-CG 3.29Å; E331-Q335 WeakPolarHBondContact O-CG 3.4Å; E331-Q335 PolarHBondContact O-N 2.88Å; E331-Q335 WeakPolarHBondContact OE1-CG 3.46Å; E331-Q335 PolarHBondContact OE1-NE2 3.25Å
332	V	98.8	Very high	98.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-38.3	178.1	75.2	0	0	0	0	112	V297 L301 F328 T329 Q335 T336 M421 I423	V297-V332 HydrophobicContact CG1-CB 4.37Å; L301-V332 HydrophobicContact CD2-CG2 3.93Å; L301-V332 HydrophobicContact CG-CG2 4.38Å; F328-V332 HydrophobicContact CD1-CG1 4.3Å; F328-V332 HydrophobicContact CE1-CB 4.29Å; F328-V332 HydrophobicContact CE1-CG1 4Å; F328-V332 HydrophobicContact CZ-CB 4.36Å; F328-V332 HydrophobicContact CZ-CG2 4.46Å; F328-V332 WeakPolarHBondContact O-CB 3.44Å; F328-V332 WeakPolarHBondContact O-CG1 3.25Å; F328-V332 PolarHBondContact O-N 3.42Å; T329-V332 WeakPolarHBondContact O-CG1 3.42Å; V332-Q335 PolarHBondContact O-N 3.07Å; V332-T336 VanDerWaalsContact O-CB 3.3Å; V332-T336 WeakPolarHBondContact O-CB 3.48Å; V332-T336 PolarHBondContact O-N 3.25Å; V332-T336 PolarHBondContact O-OG1 2.93Å; V332-M421 HydrophobicContact CG2-CE 3.92Å; V332-M421 HydrophobicContact CG2-SD 4.05Å; V332-I423 HydrophobicContact CG1-CD1 3.91Å
333	V	98.9	Very high	98.6	Very high	20 Å²	20	61.2 Å²	61.2	12%	0.121	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-47.6	175.8	168.6	0	0	0	0	110.5	T329 E330 E331 Q335 T336 Q337 L378 C379 V401	T329-V333 HydrophobicContact CG2-CG2 4.49Å; T329-V333 WeakPolarHBondContact O-CB 3.38Å; T329-V333 WeakPolarHBondContact O-CG2 3.35Å; T329-V333 PolarHBondContact O-N 3.08Å; T329-V333 VanDerWaalsContact O-N 3.14Å; E330-V333 PolarHBondContact O-N 2.63Å; E331-V333 PolarHBondContact O-N 3.13Å; V333-Q335 VanDerWaalsContact C-N 3.33Å; V333-Q335 PolarHBondContact O-N 3.08Å; V333-T336 PolarHBondContact O-N 3.36Å; V333-Q337 WeakPolarHBondContact O-CG 3.43Å; V333-Q337 PolarHBondContact O-N 2.91Å; V333-L378 HydrophobicContact CG2-CB 3.62Å; V333-L378 HydrophobicContact CG2-CD1 3.76Å; V333-L378 HydrophobicContact CG2-CG 4.35Å; V333-C379 HydrophobicContact CG1-CB 4.09Å; V333-V401 HydrophobicContact CG2-CB 4.26Å; V333-V401 HydrophobicContact CG2-CG1 4.14Å
334	K	98.8	Very high	98.6	Very high	82 Å²	82	55.2 Å²	55.2	36%	0.357	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-43	177.9	171.9	179.9	155.5	-149.6	0	112.3	E330 E331 R338	E330-K334 WeakPolarHBondContact O-CB 3.43Å; E330-K334 PolarHBondContact O-N 3.47Å; E330-K334 VanDerWaalsContact O-N 3.09Å; E331-K334 PolarHBondContact O-N 3.08Å; E331-K334 IonicContact OE1-NZ 3.36Å; E331-K334 IonicContact OE2-NZ 2.75Å; E331-K334 PolarHBondContact OE2-NZ 3.25Å; K334-R338 WeakPolarHBondContact O-CG 3.42Å
335	Q	98.7	Very high	98.5	Very high	56 Å²	56	55.9 Å²	55.9	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-71.9	-36.5	177.6	-64.5	-63.1	-24	0	0	112	V297 L301 E331 V332 V333 Q337 R338	V297-Q335 HydrophobicContact CG1-CG 4.29Å; L301-Q335 HydrophobicContact CD1-CB 3.58Å; L301-Q335 HydrophobicContact CD1-CG 4.29Å; L301-Q335 HydrophobicContact CD2-CB 4.24Å; E331-Q335 HydrophobicContact CG-CG 4.45Å; E331-Q335 VanDerWaalsContact O-CG 3.29Å; E331-Q335 WeakPolarHBondContact O-CG 3.4Å; E331-Q335 PolarHBondContact O-N 2.88Å; E331-Q335 WeakPolarHBondContact OE1-CG 3.46Å; E331-Q335 PolarHBondContact OE1-NE2 3.25Å; V332-Q335 PolarHBondContact O-N 3.07Å; V333-Q335 VanDerWaalsContact C-N 3.33Å; V333-Q335 PolarHBondContact O-N 3.08Å; Q335-Q337 VanDerWaalsContact C-N 3.33Å; Q335-Q337 PolarHBondContact O-N 3.49Å; Q335-R338 WeakPolarHBondContact O-CB 3.42Å; Q335-R338 PolarHBondContact O-N 3.02Å; Q335-R338 VanDerWaalsContact O-N 3.1Å
336	T	98.8	Very high	98.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-42.4	175.7	-58.5	0	0	0	0	111.5	L301 F305 V332 V333 R338 I339 P399 V401	L301-T336 WeakPolarHBondContact CD2-OG1 3.13Å; F305-T336 HydrophobicContact CE1-CG2 4.5Å; F305-T336 HydrophobicContact CE2-CG2 3.81Å; F305-T336 WeakPolarHBondContact CE2-OG1 3.46Å; F305-T336 HydrophobicContact CZ-CG2 3.78Å; V332-T336 VanDerWaalsContact O-CB 3.3Å; V332-T336 WeakPolarHBondContact O-CB 3.48Å; V332-T336 PolarHBondContact O-N 3.25Å; V332-T336 PolarHBondContact O-OG1 2.93Å; V333-T336 PolarHBondContact O-N 3.36Å; T336-R338 PolarHBondContact O-N 2.78Å; T336-I339 HydrophobicContact CG2-CD1 4.38Å; T336-I339 WeakPolarHBondContact O-CB 3.27Å; T336-I339 WeakPolarHBondContact O-CG1 3.28Å; T336-I339 PolarHBondContact O-N 3.05Å; T336-P399 HydrophobicContact CG2-CB 3.73Å; T336-P399 HydrophobicContact CG2-CG 3.72Å; T336-V401 HydrophobicContact CG2-CG2 4.07Å
337	Q	98.5	Very high	98.3	Very high	131 Å²	131	57 Å²	57	61%	0.612	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.5	177.3	-71.6	174.4	-25.7	0	0	113.9	V333 Q335 C379	V333-Q337 WeakPolarHBondContact O-CG 3.43Å; V333-Q337 PolarHBondContact O-N 2.91Å; Q335-Q337 VanDerWaalsContact C-N 3.33Å; Q335-Q337 PolarHBondContact O-N 3.49Å; Q337-C379 HydrophobicContact CG-CB 3.86Å
338	R	98.3	Very high	98.2	Very high	160 Å²	160	53.7 Å²	53.7	60%	0.604	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.3	178.2	-71	171.3	173.3	-169.7	-6.5	113.6	K334 Q335 T336 K340	K334-R338 WeakPolarHBondContact O-CG 3.42Å; Q335-R338 WeakPolarHBondContact O-CB 3.42Å; Q335-R338 PolarHBondContact O-N 3.02Å; Q335-R338 VanDerWaalsContact O-N 3.1Å; T336-R338 PolarHBondContact O-N 2.78Å; R338-K340 PolarHBondContact O-N 3.1Å
339	I	98.6	Very high	98.2	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.185	25%	0.254	C	S	.	.			trans	-61.3	120.6	178	-66.3	174.3	0	0	0	108.7	F305 T336 I341 R350 M351 P399	F305-I339 HydrophobicContact CB-CD1 3.98Å; F305-I339 HydrophobicContact CD2-CD1 3.77Å; F305-I339 HydrophobicContact CG-CD1 3.96Å; T336-I339 HydrophobicContact CG2-CD1 4.38Å; T336-I339 WeakPolarHBondContact O-CB 3.27Å; T336-I339 WeakPolarHBondContact O-CG1 3.28Å; T336-I339 PolarHBondContact O-N 3.05Å; I339-I341 HydrophobicContact CG2-CG1 4.49Å; I339-I341 PolarHBondContact O-N 2.76Å; I339-R350 HydrophobicContact CG2-CB 4.31Å; I339-M351 HydrophobicContact CD1-CE 4.38Å; I339-M351 HydrophobicContact CG2-CB 3.61Å; I339-M351 HydrophobicContact CG2-CE 4.25Å; I339-M351 HydrophobicContact CG2-SD 4.44Å; I339-P399 HydrophobicContact CB-CG 4.42Å; I339-P399 HydrophobicContact CD1-CB 4.42Å; I339-P399 HydrophobicContact CD1-CG 4.11Å
340	K	98.3	Very high	98.1	Very high	87 Å²	87	58.3 Å²	58.3	38%	0.378	27%	0.269	S	S	.	.			trans	-76	112.9	177.6	-168.7	-178.7	-175.8	-168.5	0	110	R338 D348 R350 M351	R338-K340 PolarHBondContact O-N 3.1Å; K340-D348 HydrophobicContact CD-CB 4.36Å; K340-D348 WeakPolarHBondContact CD-O 3.4Å; K340-D348 IonicContact NZ-OD1 3.06Å; K340-D348 PolarHBondContact NZ-OD1 3.17Å; K340-D348 IonicContact NZ-OD2 2.96Å; K340-D348 PolarHBondContact NZ-OD2 3.48Å; K340-R350 PolarHBondContact O-N 2.83Å; K340-M351 PolarHBondContact O-N 3.38Å; K340-M351 VanDerWaalsContact O-N 3.11Å
341	I	98.6	Very high	98.1	Very high	23 Å²	23	51.5 Å²	51.5	12%	0.118	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-101.5	131.8	177.9	-50	168.4	0	0	0	108.8	I339 M351 Y384 Y396	I339-I341 HydrophobicContact CG2-CG1 4.49Å; I339-I341 PolarHBondContact O-N 2.76Å; I341-M351 VanDerWaalsContact CA-O 3.3Å; I341-M351 WeakPolarHBondContact CA-O 3.41Å; I341-M351 HydrophobicContact CG1-CB 4.29Å; I341-Y384 HydrophobicContact CB-CD1 3.97Å; I341-Y384 HydrophobicContact CB-CE1 3.77Å; I341-Y384 HydrophobicContact CD1-CD1 4.26Å; I341-Y384 HydrophobicContact CD1-CG 4.45Å; I341-Y384 HydrophobicContact CG2-CD1 3.56Å; I341-Y384 HydrophobicContact CG2-CE1 3.78Å; I341-Y396 HydrophobicContact CG2-CD1 3.67Å; I341-Y396 HydrophobicContact CG2-CE1 4.3Å
342	G	98	Very high	98.1	Very high	7 Å²	7	49.4 Å²	49.4	7%	0.072	23%	0.228	C	C	.	.	S	Bend	trans	172	-152.4	179	0	0	0	0	0	113.9	P344 M351 Y396	G342-P344 WeakPolarHBondContact O-CD 3.37Å; G342-M351 PolarHBondContact N-O 2.8Å; G342-Y396 WeakPolarHBondContact O-CE1 3.49Å; G342-Y396 PolarHBondContact O-OH 3.06Å
343	D	98.2	Very high	98.1	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.043	23%	0.228	C	C	.	.			trans	-57.8	118.1	176.3	-177.1	-19.8	0	0	0	109.4	T27 L345 L346 T349 K390 L391	T27-D343 PolarHBondContact OG1-OD1 2.69Å; D343-L345 PolarHBondContact O-N 3.39Å; D343-L345 PolarHBondContact OD1-N 3.2Å; D343-L346 HydrophobicContact CB-CD1 3.92Å; D343-L346 HydrophobicContact CB-CG 3.94Å; D343-L346 PolarHBondContact O-N 2.8Å; D343-T349 VanDerWaalsContact O-CB 3.25Å; D343-T349 WeakPolarHBondContact O-CB 3.23Å; D343-T349 PolarHBondContact O-OG1 2.78Å; D343-K390 WeakPolarHBondContact OD2-CE 3.26Å; D343-K390 IonicContact OD2-NZ 3.78Å; D343-K390 PolarHBondContact OD2-NZ 2.99Å; D343-L391 HydrophobicContact CB-CD1 3.98Å; D343-L391 HydrophobicContact CB-CD2 4.43Å
344	P	98	Very high	98.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17	-174.2	31.4	-37.9	0	0	0	113.3	A59 C120 K125 S126 I127 G342 L346	A59-P344 HydrophobicContact CB-CG 4.1Å; C120-P344 WeakPolarHBondContact SG-CB 3.45Å; C120-P344 PolarHBondContact SG-O 2.99Å; K125-P344 WeakPolarHBondContact O-CB 3.48Å; S126-P344 CarbonylContact C-O 3.55Å; S126-P344 WeakPolarHBondContact CA-O 3.3Å; I127-P344 PolarHBondContact N-O 2.96Å; G342-P344 WeakPolarHBondContact O-CD 3.37Å; P344-L346 VanDerWaalsContact C-N 3.31Å
345	L	97.2	Very high	98.1	Very high	36 Å²	36	44.9 Å²	44.9	19%	0.188	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.9	175.3	-70.3	176.3	0	0	0	113.7	T27 T117 C120 I121 I127 D343	T27-L345 WeakPolarHBondContact OG1-CD1 2.95Å; T117-L345 HydrophobicContact CG2-CD2 3.98Å; C120-L345 HydrophobicContact CB-CD2 3.88Å; C120-L345 WeakPolarHBondContact SG-CD2 3.16Å; I121-L345 HydrophobicContact CD1-CD1 4.34Å; I121-L345 HydrophobicContact CG1-CD1 4.15Å; I127-L345 HydrophobicContact CD1-CD2 4.38Å; D343-L345 PolarHBondContact O-N 3.39Å; D343-L345 PolarHBondContact OD1-N 3.2Å
346	L	96.9	Very high	98.1	Very high	83 Å²	83	43.1 Å²	43.1	44%	0.435	20%	0.2	S	C	.	.	S	Bend	trans	-79.3	131.1	174.3	-62.7	176.7	0	0	0	110.8	D343 P344 D348 T349	D343-L346 HydrophobicContact CB-CD1 3.92Å; D343-L346 HydrophobicContact CB-CG 3.94Å; D343-L346 PolarHBondContact O-N 2.8Å; P344-L346 VanDerWaalsContact C-N 3.31Å; L346-D348 PolarHBondContact O-N 2.81Å; L346-D348 VanDerWaalsContact O-N 3.1Å; L346-T349 WeakPolarHBondContact O-CB 3.27Å; L346-T349 PolarHBondContact O-N 2.94Å
347	E	96.1	Very high	98	Very high	103 Å²	103	47.4 Å²	47.4	48%	0.481	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.8	-175.6	-68.5	-65.6	169	0	0	114.4	R131 R350	R131-E347 IonicContact CZ-OE1 3.54Å; R131-E347 IonicContact NH1-OE1 2.96Å; R131-E347 PolarHBondContact NH1-OE1 2.89Å; R131-E347 IonicContact NH1-OE2 2.92Å; R131-E347 PolarHBondContact NH1-OE2 2.87Å; R131-E347 IonicContact NH2-OE1 3.64Å; R131-E347 PolarHBondContact NH2-OE1 3.39Å; E347-R350 PolarHBondContact O-NH1 2.59Å
348	D	96.8	Very high	98	Very high	85 Å²	85	45.3 Å²	45.3	46%	0.455	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.3	-179.9	71.2	-16	0	0	0	113.7	K340 L346	K340-D348 HydrophobicContact CD-CB 4.36Å; K340-D348 WeakPolarHBondContact CD-O 3.4Å; K340-D348 IonicContact NZ-OD1 3.06Å; K340-D348 PolarHBondContact NZ-OD1 3.17Å; K340-D348 IonicContact NZ-OD2 2.96Å; K340-D348 PolarHBondContact NZ-OD2 3.48Å; L346-D348 PolarHBondContact O-N 2.81Å; L346-D348 VanDerWaalsContact O-N 3.1Å
349	T	98.1	Very high	98	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.189	C	C	.	.			trans	-65.3	137.5	168.9	-66.9	0	0	0	0	109.5	D343 L346 M351	D343-T349 VanDerWaalsContact O-CB 3.25Å; D343-T349 WeakPolarHBondContact O-CB 3.23Å; D343-T349 PolarHBondContact O-OG1 2.78Å; L346-T349 WeakPolarHBondContact O-CB 3.27Å; L346-T349 PolarHBondContact O-N 2.94Å; T349-M351 WeakPolarHBondContact CG2-O 3.35Å
350	R	97.8	Very high	98	Very high	113 Å²	113	37 Å²	37	43%	0.426	18%	0.181	S	C	.	.			trans	-120.9	-9.3	178.1	-69	-66.6	176.6	-85.4	2.6	113.4	I339 K340 E347	I339-R350 HydrophobicContact CG2-CB 4.31Å; K340-R350 PolarHBondContact O-N 2.83Å; E347-R350 PolarHBondContact O-NH1 2.59Å
351	M	98.6	Very high	98.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-148.1	124.3	173.7	-173.2	172.9	-75.9	0	0	109.3	F305 Q308 I339 K340 I341 G342 T349 P399 P419	F305-M351 HydrophobicContact CB-CE 3.67Å; F305-M351 HydrophobicContact CD1-CE 4.26Å; F305-M351 HydrophobicContact CG-CE 4.26Å; F305-M351 WeakPolarHBondContact O-CE 3.4Å; Q308-M351 HydrophobicContact CB-CG 4.43Å; Q308-M351 HydrophobicContact CG-CG 3.73Å; I339-M351 HydrophobicContact CD1-CE 4.38Å; I339-M351 HydrophobicContact CG2-CB 3.61Å; I339-M351 HydrophobicContact CG2-CE 4.25Å; I339-M351 HydrophobicContact CG2-SD 4.44Å; K340-M351 PolarHBondContact O-N 3.38Å; K340-M351 VanDerWaalsContact O-N 3.11Å; I341-M351 VanDerWaalsContact CA-O 3.3Å; I341-M351 WeakPolarHBondContact CA-O 3.41Å; I341-M351 HydrophobicContact CG1-CB 4.29Å; G342-M351 PolarHBondContact N-O 2.8Å; T349-M351 WeakPolarHBondContact CG2-O 3.35Å; M351-P399 HydrophobicContact CE-CB 4.03Å; M351-P399 HydrophobicContact CE-CG 4.44Å; M351-P399 HydrophobicContact SD-CB 4.12Å; M351-P399 HydrophobicContact SD-CG 4.23Å; M351-P419 HydrophobicContact CE-CB 3.97Å; M351-P419 HydrophobicContact SD-CB 4.26Å; M351-P419 HydrophobicContact SD-CG 4.45Å
352	G	98.5	Very high	98.1	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.031	21%	0.207	C	C	.	.			trans	-93.1	-160.2	172.9	0	0	0	0	0	112.6	G124 Q308	G124-G352 WeakPolarHBondContact O-CA 3.29Å; Q308-G352 WeakPolarHBondContact CG-O 3.39Å
353	P	98.6	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.			trans	-75.6	159.5	173.1	35.5	-43.9	0	0	0	112.8	P58 A59 G124 Q308 Y396	P58-P353 VanDerWaalsContact C-CG 3.41Å; P58-P353 HydrophobicContact CB-CB 4.02Å; P58-P353 HydrophobicContact CB-CG 3.48Å; P58-P353 VanDerWaalsContact CB-CG 3.48Å; P58-P353 WeakPolarHBondContact O-CB 3.41Å; A59-P353 HydrophobicContact CB-CG 4.12Å; G124-P353 VanDerWaalsContact O-CD 3.3Å; G124-P353 WeakPolarHBondContact O-CD 3.42Å; Q308-P353 WeakPolarHBondContact CG-O 2.81Å; Q308-P353 PolarHBondContact NE2-O 2.93Å; P353-Y396 HydrophobicContact CB-CD1 3.96Å; P353-Y396 HydrophobicContact CB-CD2 4.25Å; P353-Y396 HydrophobicContact CB-CE1 3.83Å; P353-Y396 HydrophobicContact CB-CE2 4.1Å; P353-Y396 HydrophobicContact CB-CG 4.16Å; P353-Y396 HydrophobicContact CG-CE1 4.17Å; P353-Y396 VanDerWaalsContact N-CE1 3.3Å
354	L	98.8	Very high	98.2	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	21%	0.21	C	C	.	.			trans	-71	160.1	166	-75.7	83.6	0	0	0	110.3	P58 Q308 N356 L360 V363 Y395 M397	P58-L354 WeakPolarHBondContact CB-O 3.2Å; Q308-L354 HydrophobicContact CB-CD1 4.47Å; Q308-L354 HydrophobicContact CB-CG 4.34Å; L354-N356 VanDerWaalsContact C-N 3.35Å; L354-N356 PolarHBondContact O-N 3.33Å; L354-L360 HydrophobicContact CD1-CD1 4.32Å; L354-V363 HydrophobicContact CD2-CB 4.16Å; L354-V363 HydrophobicContact CD2-CG1 4.46Å; L354-V363 HydrophobicContact CD2-CG2 3.76Å; L354-Y395 PolarHBondContact N-O 2.79Å; L354-Y395 WeakPolarHBondContact O-CB 3.34Å; L354-Y395 WeakPolarHBondContact O-CD2 3.45Å; L354-M397 HydrophobicContact CD1-CG 3.55Å; L354-M397 HydrophobicContact CD1-SD 3.9Å; L354-M397 HydrophobicContact CD2-SD 4.18Å
355	I	98.6	Very high	98.2	Very high	4 Å²	4	46 Å²	46	2%	0.021	23%	0.225	C	C	.	.	S	Bend	trans	-58.5	-37.7	-167.7	-172.8	59.8	0	0	0	115.2	P58 W180 F208 T209 H359	P58-I355 HydrophobicContact CG-CD1 4.18Å; P58-I355 WeakPolarHBondContact CG-O 3.46Å; W180-I355 HydrophobicContact CB-CG1 4.42Å; W180-I355 HydrophobicContact CD2-CB 4.18Å; W180-I355 HydrophobicContact CD2-CG1 3.98Å; W180-I355 HydrophobicContact CD2-CG2 3.96Å; W180-I355 HydrophobicContact CE3-CB 3.59Å; W180-I355 HydrophobicContact CE3-CD1 4.25Å; W180-I355 HydrophobicContact CE3-CG1 3.68Å; W180-I355 HydrophobicContact CE3-CG2 3.73Å; W180-I355 HydrophobicContact CG-CG1 4.32Å; W180-I355 HydrophobicContact CH2-CB 4.11Å; W180-I355 HydrophobicContact CH2-CG2 3.49Å; W180-I355 VanDerWaalsContact CH2-CG2 3.49Å; W180-I355 HydrophobicContact CZ2-CG2 3.76Å; W180-I355 HydrophobicContact CZ3-CB 3.58Å; W180-I355 HydrophobicContact CZ3-CG1 4.22Å; W180-I355 HydrophobicContact CZ3-CG2 3.52Å; F208-I355 HydrophobicContact CB-CD1 4.34Å; F208-I355 HydrophobicContact CB-CG1 3.98Å; F208-I355 HydrophobicContact CD2-CG1 4.31Å; T209-I355 HydrophobicContact CG2-CD1 3.73Å; I355-H359 HydrophobicContact CG2-CB 3.93Å
356	N	98.1	Very high	98.3	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.102	22%	0.223	C	C	.	.			trans	-156.1	165.6	179.9	64.2	40.5	0	0	0	112.3	F208 L354 P358 H359 L360 Y395	F208-N356 WeakPolarHBondContact CD2-ND2 3.44Å; F208-N356 WeakPolarHBondContact CE2-ND2 3.38Å; F208-N356 WeakPolarHBondContact CZ-ND2 3.3Å; L354-N356 VanDerWaalsContact C-N 3.35Å; L354-N356 PolarHBondContact O-N 3.33Å; N356-P358 WeakPolarHBondContact OD1-CD 3.4Å; N356-H359 PolarHBondContact O-N 3.41Å; N356-H359 WeakPolarHBondContact OD1-CB 3.25Å; N356-H359 PolarHBondContact OD1-N 3.01Å; N356-L360 PolarHBondContact O-N 3Å; N356-Y395 HydrophobicContact CB-CE2 4.36Å
357	R	97.8	Very high	98.4	Very high	90 Å²	90	42 Å²	42	34%	0.34	20%	0.203	S	C	.	.	H	α-helix	trans	-57.5	-49	179.1	-177.5	79.2	67.9	-145.7	-8.5	113.1	H359 L360 E361 D393 G394 Y395	R357-H359 VanDerWaalsContact C-N 3.25Å; R357-H359 PolarHBondContact O-N 3.44Å; R357-L360 WeakPolarHBondContact O-CB 3.41Å; R357-L360 PolarHBondContact O-N 2.67Å; R357-E361 HydrophobicContact CG-CG 4.49Å; R357-E361 WeakPolarHBondContact CG-OE1 3.33Å; R357-E361 WeakPolarHBondContact O-CG 3.32Å; R357-E361 PolarHBondContact O-N 2.72Å; R357-D393 PolarHBondContact NH2-O 3.41Å; R357-G394 PolarHBondContact NH1-O 2.95Å; R357-Y395 HydrophobicContact CB-CD1 4.08Å; R357-Y395 HydrophobicContact CB-CE1 3.96Å
358	P	98.5	Very high	98.5	Very high	87 Å²	87	43.2 Å²	43.2	57%	0.565	21%	0.206	S	C	*	.	H	α-helix	trans	-58.2	-35.8	177.3	-27.1	35.3	0	0	0	113.8	N356 R362	N356-P358 WeakPolarHBondContact OD1-CD 3.4Å; P358-R362 WeakPolarHBondContact O-CB 3.18Å; P358-R362 PolarHBondContact O-N 3.42Å
359	H	98.8	Very high	98.6	Very high	19 Å²	19	41.5 Å²	41.5	9%	0.088	20%	0.199	C	C	.	.	H	α-helix	trans	-70.1	-43.4	177.5	-169.1	54.7	0	0	0	111.8	W180 Q310 I355 N356 R357 E361 R362 V363 F417	W180-H359 AromaticContact CH2-CD2 3.88Å; W180-H359 AromaticContact CH2-NE2 3.79Å; Q310-H359 PolarHBondContact OE1-CD2 3.25Å; I355-H359 HydrophobicContact CG2-CB 3.93Å; N356-H359 PolarHBondContact O-N 3.41Å; N356-H359 WeakPolarHBondContact OD1-CB 3.25Å; N356-H359 PolarHBondContact OD1-N 3.01Å; R357-H359 VanDerWaalsContact C-N 3.25Å; R357-H359 PolarHBondContact O-N 3.44Å; H359-E361 VanDerWaalsContact C-N 3.34Å; H359-E361 PolarHBondContact O-N 2.92Å; H359-R362 WeakPolarHBondContact O-CB 3.46Å; H359-R362 PolarHBondContact O-N 3.2Å; H359-V363 WeakPolarHBondContact O-CG2 3.2Å; H359-V363 PolarHBondContact O-N 3.04Å; H359-F417 PolarHBondContact CE1-O 2.99Å; H359-F417 VanDerWaalsContact CE1-O 3.27Å; H359-F417 PolarHBondContact NE2-O 2.92Å
360	L	98.8	Very high	98.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-55.1	-48.8	171.6	171.5	65.3	0	0	0	111.7	L354 N356 R357 R362 V363 L364 M397	L354-L360 HydrophobicContact CD1-CD1 4.32Å; N356-L360 PolarHBondContact O-N 3Å; R357-L360 WeakPolarHBondContact O-CB 3.41Å; R357-L360 PolarHBondContact O-N 2.67Å; L360-R362 VanDerWaalsContact C-N 3.34Å; L360-R362 PolarHBondContact O-N 3Å; L360-V363 PolarHBondContact O-N 3.46Å; L360-L364 HydrophobicContact CD1-CD1 3.87Å; L360-L364 HydrophobicContact CD1-CG 4.14Å; L360-L364 HydrophobicContact CG-CD1 3.92Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 2.89Å; L360-M397 HydrophobicContact CD1-CB 3.79Å; L360-M397 HydrophobicContact CD1-CG 4.18Å; L360-M397 HydrophobicContact CD1-SD 4.21Å
361	E	98.8	Very high	98.7	Very high	117 Å²	117	41.3 Å²	41.3	55%	0.547	20%	0.201	S	C	.	.	H	α-helix	trans	-61.8	-41.5	179	-71.4	169.2	-178.2	0	0	111.9	R357 H359 L364 G365	R357-E361 HydrophobicContact CG-CG 4.49Å; R357-E361 WeakPolarHBondContact CG-OE1 3.33Å; R357-E361 WeakPolarHBondContact O-CG 3.32Å; R357-E361 PolarHBondContact O-N 2.72Å; H359-E361 VanDerWaalsContact C-N 3.34Å; H359-E361 PolarHBondContact O-N 2.92Å; E361-L364 PolarHBondContact O-N 3.35Å; E361-G365 PolarHBondContact O-N 3.05Å
362	R	98.8	Very high	98.7	Very high	134 Å²	134	47.5 Å²	47.5	51%	0.506	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-48.3	174	173.2	-179.2	165.6	149.5	2.4	111.6	P358 H359 L360 G365 F366 E415	P358-R362 WeakPolarHBondContact O-CB 3.18Å; P358-R362 PolarHBondContact O-N 3.42Å; H359-R362 WeakPolarHBondContact O-CB 3.46Å; H359-R362 PolarHBondContact O-N 3.2Å; L360-R362 VanDerWaalsContact C-N 3.34Å; L360-R362 PolarHBondContact O-N 3Å; R362-G365 WeakPolarHBondContact O-CA 3.5Å; R362-G365 PolarHBondContact O-N 3.1Å; R362-F366 HydrophobicContact CG-CD2 4.14Å; R362-F366 HydrophobicContact CG-CE2 3.82Å; R362-F366 VanDerWaalsContact O-CD2 3.28Å; R362-F366 WeakPolarHBondContact O-CD2 3.29Å; R362-F366 PolarHBondContact O-N 3.18Å; R362-F366 VanDerWaalsContact O-N 3.08Å; R362-E415 PolarHBondContact NH2-O 3.5Å
363	V	98.9	Very high	98.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-44.9	-178.9	174.8	0	0	0	0	111.1	L354 H359 L360 G365 F366 V367 M397 I416 V420	L354-V363 HydrophobicContact CD2-CB 4.16Å; L354-V363 HydrophobicContact CD2-CG1 4.46Å; L354-V363 HydrophobicContact CD2-CG2 3.76Å; H359-V363 WeakPolarHBondContact O-CG2 3.2Å; H359-V363 PolarHBondContact O-N 3.04Å; L360-V363 PolarHBondContact O-N 3.46Å; V363-G365 VanDerWaalsContact C-N 3.26Å; V363-G365 PolarHBondContact O-N 2.93Å; V363-F366 WeakPolarHBondContact O-CB 3.2Å; V363-F366 PolarHBondContact O-N 3.35Å; V363-F366 VanDerWaalsContact O-N 3.14Å; V363-V367 PolarHBondContact O-N 3.41Å; V363-M397 HydrophobicContact CB-SD 4.22Å; V363-M397 HydrophobicContact CG1-CE 3.86Å; V363-M397 HydrophobicContact CG1-SD 3.47Å; V363-M397 WeakPolarHBondContact CG1-SD 3.38Å; V363-I416 HydrophobicContact CB-CG2 4.37Å; V363-I416 HydrophobicContact CG1-CG2 3.92Å; V363-I416 HydrophobicContact CG2-CG2 4.18Å; V363-V420 HydrophobicContact CG1-CG2 3.9Å
364	L	98.9	Very high	98.7	Very high	34 Å²	34	51.9 Å²	51.9	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-36.7	174.3	-69.1	168.7	0	0	0	111.9	L360 E361 F366 V367 K368 I383 M397	L360-L364 HydrophobicContact CD1-CD1 3.87Å; L360-L364 HydrophobicContact CD1-CG 4.14Å; L360-L364 HydrophobicContact CG-CD1 3.92Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 2.89Å; E361-L364 PolarHBondContact O-N 3.35Å; L364-F366 PolarHBondContact O-N 3.27Å; L364-V367 PolarHBondContact O-N 2.88Å; L364-K368 PolarHBondContact O-N 3.5Å; L364-I383 HydrophobicContact CD1-CD1 4.09Å; L364-I383 HydrophobicContact CD1-CG1 3.53Å; L364-M397 HydrophobicContact CD2-CB 4.49Å; L364-M397 HydrophobicContact CD2-CE 4.24Å
365	G	98.8	Very high	98.7	Very high	31 Å²	31	52.1 Å²	52.1	32%	0.32	26%	0.261	S	S	.	.	H	α-helix	trans	-57.9	-43.9	172.3	0	0	0	0	0	112.9	E361 R362 V363 V367 K368 V369	E361-G365 PolarHBondContact O-N 3.05Å; R362-G365 WeakPolarHBondContact O-CA 3.5Å; R362-G365 PolarHBondContact O-N 3.1Å; V363-G365 VanDerWaalsContact C-N 3.26Å; V363-G365 PolarHBondContact O-N 2.93Å; G365-V367 PolarHBondContact O-N 2.79Å; G365-K368 WeakPolarHBondContact O-CB 3.39Å; G365-K368 PolarHBondContact O-N 3.25Å; G365-V369 WeakPolarHBondContact O-CG2 3.45Å; G365-V369 PolarHBondContact O-N 3.33Å
366	F	98.9	Very high	98.7	Very high	33 Å²	33	58 Å²	58	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-40.8	174.7	-81.8	-75.1	0	0	0	112.7	R362 V363 L364 K368 V369 A370 T410 E414 I416	R362-F366 HydrophobicContact CG-CD2 4.14Å; R362-F366 HydrophobicContact CG-CE2 3.82Å; R362-F366 VanDerWaalsContact O-CD2 3.28Å; R362-F366 WeakPolarHBondContact O-CD2 3.29Å; R362-F366 PolarHBondContact O-N 3.18Å; R362-F366 VanDerWaalsContact O-N 3.08Å; V363-F366 WeakPolarHBondContact O-CB 3.2Å; V363-F366 PolarHBondContact O-N 3.35Å; V363-F366 VanDerWaalsContact O-N 3.14Å; L364-F366 PolarHBondContact O-N 3.27Å; F366-K368 VanDerWaalsContact C-N 3.31Å; F366-K368 PolarHBondContact O-N 2.77Å; F366-V369 PolarHBondContact O-N 3.44Å; F366-A370 WeakPolarHBondContact O-CB 3.48Å; F366-A370 PolarHBondContact O-N 2.9Å; F366-T410 HydrophobicContact CD1-CG2 4.08Å; F366-T410 HydrophobicContact CE1-CG2 3.82Å; F366-E414 HydrophobicContact CE1-CB 3.84Å; F366-E414 HydrophobicContact CE1-CG 4.45Å; F366-E414 HydrophobicContact CZ-CB 4.29Å; F366-I416 HydrophobicContact CB-CD1 4.14Å; F366-I416 HydrophobicContact CB-CG1 4.03Å; F366-I416 HydrophobicContact CB-CG2 4Å; F366-I416 HydrophobicContact CD1-CG1 4.04Å; F366-I416 HydrophobicContact CD2-CB 4.35Å; F366-I416 HydrophobicContact CD2-CG1 4.27Å; F366-I416 HydrophobicContact CD2-CG2 3.99Å; F366-I416 HydrophobicContact CG-CB 4.41Å; F366-I416 HydrophobicContact CG-CD1 4.49Å; F366-I416 HydrophobicContact CG-CG1 3.87Å; F366-I416 HydrophobicContact CG-CG2 4.14Å
367	V	98.9	Very high	98.7	Very high	1 Å²	1	59 Å²	59	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-40.4	176.1	177.4	0	0	0	0	110.7	V363 L364 G365 A370 K371 V377 V420	V363-V367 PolarHBondContact O-N 3.41Å; L364-V367 PolarHBondContact O-N 2.88Å; G365-V367 PolarHBondContact O-N 2.79Å; V367-A370 PolarHBondContact O-N 2.61Å; V367-K371 WeakPolarHBondContact O-CG 3.27Å; V367-K371 PolarHBondContact O-N 3.34Å; V367-V377 HydrophobicContact CG1-CG2 4.22Å; V367-V420 HydrophobicContact CG2-CG1 4.33Å; V367-V420 HydrophobicContact CG2-CG2 3.83Å
368	K	98.8	Very high	98.7	Very high	129 Å²	129	57 Å²	57	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-60.9	-51.6	175.2	-179.2	-177.1	170.7	-174.6	0	111.4	L364 G365 F366 A370 K371 E372	L364-K368 PolarHBondContact O-N 3.5Å; G365-K368 WeakPolarHBondContact O-CB 3.39Å; G365-K368 PolarHBondContact O-N 3.25Å; F366-K368 VanDerWaalsContact C-N 3.31Å; F366-K368 PolarHBondContact O-N 2.77Å; K368-A370 VanDerWaalsContact C-N 3.27Å; K368-A370 PolarHBondContact O-N 2.87Å; K368-K371 WeakPolarHBondContact O-CB 3.33Å; K368-K371 PolarHBondContact O-N 3.17Å; K368-K371 VanDerWaalsContact O-N 3.15Å; K368-E372 WeakPolarHBondContact CE-OE1 3.36Å; K368-E372 WeakPolarHBondContact O-CG 3.34Å; K368-E372 PolarHBondContact O-N 2.78Å; K368-E372 VanDerWaalsContact O-N 3.12Å
369	V	98.8	Very high	98.7	Very high	48 Å²	48	53.3 Å²	53.3	29%	0.291	27%	0.265	S	S	.	.	H	α-helix	trans	-59.8	-38.8	178.3	171.5	0	0	0	0	111.3	G365 F366 K371 E372 Q373 T410	G365-V369 WeakPolarHBondContact O-CG2 3.45Å; G365-V369 PolarHBondContact O-N 3.33Å; F366-V369 PolarHBondContact O-N 3.44Å; V369-K371 VanDerWaalsContact C-N 3.35Å; V369-K371 PolarHBondContact O-N 3.5Å; V369-E372 PolarHBondContact O-N 3.44Å; V369-Q373 HydrophobicContact CG1-CG 4.32Å; V369-Q373 WeakPolarHBondContact O-CG 3.47Å; V369-Q373 PolarHBondContact O-N 2.97Å; V369-T410 HydrophobicContact CG1-CG2 4.48Å
370	A	98.8	Very high	98.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-43.5	176.7	0	0	0	0	0	112.2	F366 V367 K368 Q373 G374 A375 L402 C411	F366-A370 WeakPolarHBondContact O-CB 3.48Å; F366-A370 PolarHBondContact O-N 2.9Å; V367-A370 PolarHBondContact O-N 2.61Å; K368-A370 VanDerWaalsContact C-N 3.27Å; K368-A370 PolarHBondContact O-N 2.87Å; A370-Q373 PolarHBondContact O-N 3.34Å; A370-G374 PolarHBondContact O-N 3.45Å; A370-A375 HydrophobicContact CB-CB 4.02Å; A370-A375 VanDerWaalsContact O-CB 3.24Å; A370-A375 WeakPolarHBondContact O-CB 3.34Å; A370-A375 PolarHBondContact O-N 3.11Å; A370-L402 HydrophobicContact CB-CD1 3.83Å; A370-C411 HydrophobicContact CB-CB 3.91Å
371	K	98.5	Very high	98.7	Very high	110 Å²	110	53.5 Å²	53.5	48%	0.478	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-44.6	175.1	-68.4	172.1	-177.7	175.8	0	111.4	V367 K368 V369 Q373 G374 V377	V367-K371 WeakPolarHBondContact O-CG 3.27Å; V367-K371 PolarHBondContact O-N 3.34Å; K368-K371 WeakPolarHBondContact O-CB 3.33Å; K368-K371 PolarHBondContact O-N 3.17Å; K368-K371 VanDerWaalsContact O-N 3.15Å; V369-K371 VanDerWaalsContact C-N 3.35Å; V369-K371 PolarHBondContact O-N 3.5Å; K371-Q373 PolarHBondContact O-N 2.99Å; K371-G374 PolarHBondContact O-N 2.87Å; K371-G374 VanDerWaalsContact O-N 3.08Å; K371-V377 HydrophobicContact CD-CG2 4.17Å; K371-V377 HydrophobicContact CG-CG2 3.91Å
372	E	98.6	Very high	98.7	Very high	132 Å²	132	50.8 Å²	50.8	62%	0.617	26%	0.262	S	S	*	.	H	α-helix	trans	-62.6	-31.3	178.3	-68.3	168.6	176.1	0	0	112.3	K368 V369 G374	K368-E372 WeakPolarHBondContact CE-OE1 3.36Å; K368-E372 WeakPolarHBondContact O-CG 3.34Å; K368-E372 PolarHBondContact O-N 2.78Å; K368-E372 VanDerWaalsContact O-N 3.12Å; V369-E372 PolarHBondContact O-N 3.44Å; E372-G374 VanDerWaalsContact C-N 3.3Å
373	Q	98.7	Very high	98.7	Very high	62 Å²	62	49.3 Å²	49.3	29%	0.29	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.3	176.6	-68.6	176	-13.6	0	0	114.1	V369 A370 K371 R406 M409 T410	V369-Q373 HydrophobicContact CG1-CG 4.32Å; V369-Q373 WeakPolarHBondContact O-CG 3.47Å; V369-Q373 PolarHBondContact O-N 2.97Å; A370-Q373 PolarHBondContact O-N 3.34Å; K371-Q373 PolarHBondContact O-N 2.99Å; Q373-R406 PolarHBondContact O-NH1 3.14Å; Q373-R406 PolarHBondContact O-NH2 3.35Å; Q373-M409 HydrophobicContact CB-CG 4.23Å; Q373-M409 WeakPolarHBondContact O-CE 3.37Å; Q373-T410 PolarHBondContact NE2-OG1 3.39Å
374	G	98.5	Very high	98.6	Very high	33 Å²	33	51.7 Å²	51.7	34%	0.34	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.3	5.6	174.8	0	0	0	0	0	115.5	A370 K371 E372 N404	A370-G374 PolarHBondContact O-N 3.45Å; K371-G374 PolarHBondContact O-N 2.87Å; K371-G374 VanDerWaalsContact O-N 3.08Å; E372-G374 VanDerWaalsContact C-N 3.3Å; G374-N404 PolarHBondContact O-ND2 3.35Å
375	A	98.7	Very high	98.6	Very high	8 Å²	8	54.3 Å²	54.3	7%	0.066	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-67.5	144.3	170.8	0	0	0	0	0	110.3	A370 M409	A370-A375 HydrophobicContact CB-CB 4.02Å; A370-A375 VanDerWaalsContact O-CB 3.24Å; A370-A375 WeakPolarHBondContact O-CB 3.34Å; A370-A375 PolarHBondContact O-N 3.11Å; A375-M409 HydrophobicContact CB-CE 4.31Å; A375-M409 HydrophobicContact CB-SD 3.9Å
376	K	98.7	Very high	98.4	Very high	129 Å²	129	53.3 Å²	53.3	56%	0.561	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.9	176.3	-178.9	-178	179.6	-175	0	109.8	L378 L402 T403 N404	K376-L378 HydrophobicContact CD-CD2 4.14Å; K376-L378 HydrophobicContact CG-CD2 4.37Å; K376-L402 WeakPolarHBondContact O-CA 3.44Å; K376-T403 HydrophobicContact CB-CG2 3.85Å; K376-T403 HydrophobicContact CD-CG2 4.18Å; K376-T403 HydrophobicContact CG-CG2 4.29Å; K376-T403 PolarHBondContact N-O 3.43Å; K376-T403 PolarHBondContact O-N 2.79Å; K376-N404 HydrophobicContact CB-CB 4.38Å
377	V	98.8	Very high	98.2	Very high	40 Å²	40	60.7 Å²	60.7	24%	0.242	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.6	170.2	179.3	0	0	0	0	109.4	V367 K371 C379 G380 L402	V367-V377 HydrophobicContact CG1-CG2 4.22Å; K371-V377 HydrophobicContact CD-CG2 4.17Å; K371-V377 HydrophobicContact CG-CG2 3.91Å; V377-C379 WeakPolarHBondContact CG1-O 3.38Å; V377-G380 VanDerWaalsContact CG1-O 3.3Å; V377-G380 WeakPolarHBondContact CG1-O 3.33Å; V377-L402 HydrophobicContact CB-CD2 4.45Å; V377-L402 HydrophobicContact CG2-CD2 3.64Å
378	L	98.8	Very high	98	Very high	47 Å²	47	63.5 Å²	63.5	25%	0.246	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-33.3	176.3	-63.7	-178.6	0	0	0	112.4	T329 V333 K376 V401 T403	T329-L378 HydrophobicContact CG2-CD1 3.22Å; V333-L378 HydrophobicContact CG2-CB 3.62Å; V333-L378 HydrophobicContact CG2-CD1 3.76Å; V333-L378 HydrophobicContact CG2-CG 4.35Å; K376-L378 HydrophobicContact CD-CD2 4.14Å; K376-L378 HydrophobicContact CG-CD2 4.37Å; L378-V401 HydrophobicContact CB-CB 4.43Å; L378-V401 HydrophobicContact CD1-CG1 4.16Å; L378-V401 PolarHBondContact N-O 2.96Å; L378-T403 HydrophobicContact CD1-CG2 3.74Å; L378-T403 HydrophobicContact CD2-CG2 3.6Å; L378-T403 HydrophobicContact CG-CG2 3.64Å
379	C	98.8	Very high	97.8	Very high	10 Å²	10	62.2 Å²	62.2	7%	0.068	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.5	171.2	63	0	0	0	0	111.4	V333 Q337 V377 C400 V401	V333-C379 HydrophobicContact CG1-CB 4.09Å; Q337-C379 HydrophobicContact CG-CB 3.86Å; V377-C379 WeakPolarHBondContact CG1-O 3.38Å; C379-C400 WeakPolarHBondContact O-CA 3.22Å; C379-V401 PolarHBondContact O-N 3.06Å
380	G	98.6	Very high	97.7	Very high	19 Å²	19	64.2 Å²	64.2	20%	0.196	34%	0.337	C	S	.	.			trans	57.9	-146.6	172.4	0	0	0	0	0	115.1	V377 D382 P399	V377-G380 VanDerWaalsContact CG1-O 3.3Å; V377-G380 WeakPolarHBondContact CG1-O 3.33Å; G380-D382 WeakPolarHBondContact CA-OD1 3.47Å; G380-P399 WeakPolarHBondContact CA-O 3.28Å
381	G	97.9	Very high	97.6	Very high	6 Å²	6	64.3 Å²	64.3	6%	0.062	34%	0.337	C	S	.	.			trans	77.9	22.7	-178.1	0	0	0	0	0	113.9	R398	G381-R398 PolarHBondContact N-O 3.27Å
382	D	98.4	Very high	97.5	Very high	61 Å²	61	65.3 Å²	65.3	33%	0.326	34%	0.341	S	S	.	.	S	Bend	trans	-135.1	161	-179.1	60.7	-77.1	0	0	0	110.7	G380 Y384 M397 R398	G380-D382 WeakPolarHBondContact CA-OD1 3.47Å; D382-Y384 PolarHBondContact O-N 2.75Å; D382-M397 CarbonylContact O-C 3.56Å; D382-M397 VanDerWaalsContact O-CA 3.27Å; D382-M397 WeakPolarHBondContact O-CA 3.4Å; D382-M397 WeakPolarHBondContact O-CB 3.4Å; D382-R398 PolarHBondContact O-N 2.84Å; D382-R398 IonicContact OD2-CZ 3.62Å; D382-R398 IonicContact OD2-NH1 3.54Å; D382-R398 PolarHBondContact OD2-NH1 3.36Å
383	I	98.3	Very high	97.5	Very high	103 Å²	103	63.2 Å²	63.2	53%	0.528	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-60.1	135.9	177.1	-66.4	173.5	0	0	0	109.3	L364 V385	L364-I383 HydrophobicContact CD1-CD1 4.09Å; L364-I383 HydrophobicContact CD1-CG1 3.53Å; I383-V385 HydrophobicContact CG2-CG2 4.38Å
384	Y	98.2	Very high	97.4	Very high	49 Å²	49	60.5 Å²	60.5	19%	0.192	32%	0.324	C	S	.	.			trans	-111	138.4	171.8	-177	-114.7	0	0	0	109.4	I341 D382 P386 Y396 R398	I341-Y384 HydrophobicContact CB-CD1 3.97Å; I341-Y384 HydrophobicContact CB-CE1 3.77Å; I341-Y384 HydrophobicContact CD1-CD1 4.26Å; I341-Y384 HydrophobicContact CD1-CG 4.45Å; I341-Y384 HydrophobicContact CG2-CD1 3.56Å; I341-Y384 HydrophobicContact CG2-CE1 3.78Å; D382-Y384 PolarHBondContact O-N 2.75Å; Y384-P386 HydrophobicContact CD1-CG 3.92Å; Y384-P386 HydrophobicContact CE1-CB 4.01Å; Y384-P386 HydrophobicContact CE1-CG 3.76Å; Y384-Y396 PolarHBondContact N-O 2.93Å; Y384-Y396 WeakPolarHBondContact O-CB 3.31Å; Y384-R398 HydrophobicContact CD2-CG 4.12Å; Y384-R398 HydrophobicContact CG-CG 4.33Å
385	V	97.6	Very high	97.4	Very high	90 Å²	90	59.6 Å²	59.6	55%	0.545	31%	0.31	S	S	.	.			trans	-118.6	107.2	171.6	-177.2	0	0	0	0	106.1	I383 K392	I383-V385 HydrophobicContact CG2-CG2 4.38Å; V385-K392 HydrophobicContact CG1-CB 4.43Å
386	P	96.1	Very high	97.4	Very high	9 Å²	9	59.3 Å²	59.3	6%	0.058	31%	0.307	C	S	.	.			trans	-58.6	153	176.7	-22.9	32.6	0	0	0	111.9	Y384 D388 L391 Y396	Y384-P386 HydrophobicContact CD1-CG 3.92Å; Y384-P386 HydrophobicContact CE1-CB 4.01Å; Y384-P386 HydrophobicContact CE1-CG 3.76Å; P386-D388 VanDerWaalsContact C-N 3.29Å; P386-D388 PolarHBondContact O-N 2.86Å; P386-L391 HydrophobicContact CB-CB 3.99Å; P386-L391 HydrophobicContact CB-CD1 3.76Å; P386-L391 HydrophobicContact CG-CB 3.97Å; P386-L391 HydrophobicContact CG-CD1 4.07Å; P386-Y396 HydrophobicContact CG-CD1 4.12Å; P386-Y396 HydrophobicContact CG-CD2 3.72Å; P386-Y396 HydrophobicContact CG-CE1 4.15Å; P386-Y396 HydrophobicContact CG-CE2 3.77Å; P386-Y396 HydrophobicContact CG-CG 3.91Å
387	E	94.5	Very high	97.4	Very high	189 Å²	189	53.3 Å²	53.3	88%	0.883	28%	0.281	S	S	*	.	S	Bend	trans	-66.2	-30.2	-178.4	-65	-179.5	177	0	0	113.1	P389	E387-P389 VanDerWaalsContact O-CD 3.25Å; E387-P389 WeakPolarHBondContact O-CD 3.43Å
388	D	94.5	Very high	97.4	Very high	60 Å²	60	56.5 Å²	56.5	32%	0.321	29%	0.289	S	S	.	.	S	Bend	trans	-64.4	116.1	176.9	-174.9	-20.1	0	0	0	110.2	P386 K390 L391	P386-D388 VanDerWaalsContact C-N 3.29Å; P386-D388 PolarHBondContact O-N 2.86Å; D388-K390 PolarHBondContact O-N 3.19Å; D388-K390 VanDerWaalsContact OD1-CG 3.26Å; D388-K390 WeakPolarHBondContact OD1-CG 3.04Å; D388-K390 PolarHBondContact OD1-N 2.83Å; D388-K390 VanDerWaalsContact OD2-CD 3.27Å; D388-K390 WeakPolarHBondContact OD2-CD 3.43Å; D388-K390 WeakPolarHBondContact OD2-CE 3.47Å; D388-K390 IonicContact OD2-NZ 2.81Å; D388-K390 PolarHBondContact OD2-NZ 2.92Å; D388-L391 HydrophobicContact CB-CD1 3.94Å; D388-L391 HydrophobicContact CB-CG 4Å; D388-L391 WeakPolarHBondContact O-CB 3.21Å; D388-L391 PolarHBondContact O-N 2.73Å
389	P	94.6	Very high	97.4	Very high	101 Å²	101	54.6 Å²	54.6	66%	0.656	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-57.4	-25	-176.1	-26.2	35.3	0	0	0	114.6	E387 L391 K392	E387-P389 VanDerWaalsContact O-CD 3.25Å; E387-P389 WeakPolarHBondContact O-CD 3.43Å; P389-L391 PolarHBondContact O-N 3.38Å; P389-K392 WeakPolarHBondContact O-CG 3.45Å; P389-K392 PolarHBondContact O-N 2.96Å
390	K	95.4	Very high	97.4	Very high	91 Å²	91	54.1 Å²	54.1	40%	0.396	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-70.2	-18.4	178.8	84.3	-163.3	-177	-172.1	0	112.7	D343 D388	D343-K390 WeakPolarHBondContact OD2-CE 3.26Å; D343-K390 IonicContact OD2-NZ 3.78Å; D343-K390 PolarHBondContact OD2-NZ 2.99Å; D388-K390 PolarHBondContact O-N 3.19Å; D388-K390 VanDerWaalsContact OD1-CG 3.26Å; D388-K390 WeakPolarHBondContact OD1-CG 3.04Å; D388-K390 PolarHBondContact OD1-N 2.83Å; D388-K390 VanDerWaalsContact OD2-CD 3.27Å; D388-K390 WeakPolarHBondContact OD2-CD 3.43Å; D388-K390 WeakPolarHBondContact OD2-CE 3.47Å; D388-K390 IonicContact OD2-NZ 2.81Å; D388-K390 PolarHBondContact OD2-NZ 2.92Å
391	L	97.5	Very high	97.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-98.3	-1.8	-176.8	-52.6	-177.8	0	0	0	113.4	T27 A59 T60 D343 P386 D388 P389 D393 G394 Y396	T27-L391 HydrophobicContact CG2-CD2 3.87Å; A59-L391 HydrophobicContact CB-CD2 4.24Å; A59-L391 WeakPolarHBondContact O-CA 3.34Å; A59-L391 WeakPolarHBondContact O-CD2 3.38Å; T60-L391 HydrophobicContact CG2-CD2 4.49Å; D343-L391 HydrophobicContact CB-CD1 3.98Å; D343-L391 HydrophobicContact CB-CD2 4.43Å; P386-L391 HydrophobicContact CB-CB 3.99Å; P386-L391 HydrophobicContact CB-CD1 3.76Å; P386-L391 HydrophobicContact CG-CB 3.97Å; P386-L391 HydrophobicContact CG-CD1 4.07Å; D388-L391 HydrophobicContact CB-CD1 3.94Å; D388-L391 HydrophobicContact CB-CG 4Å; D388-L391 WeakPolarHBondContact O-CB 3.21Å; D388-L391 PolarHBondContact O-N 2.73Å; P389-L391 PolarHBondContact O-N 3.38Å; L391-D393 PolarHBondContact O-N 3.08Å; L391-G394 PolarHBondContact O-N 2.7Å; L391-Y396 HydrophobicContact CB-CE2 4.05Å
392	K	96.8	Very high	97.5	Very high	130 Å²	130	53 Å²	53	57%	0.565	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.4	-172.2	73.1	-177	-176.1	175.1	0	114.2	V385 P389	V385-K392 HydrophobicContact CG1-CB 4.43Å; P389-K392 WeakPolarHBondContact O-CG 3.45Å; P389-K392 PolarHBondContact O-N 2.96Å
393	D	97.3	Very high	97.5	Very high	88 Å²	88	51.6 Å²	51.6	47%	0.471	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1	-176.8	-64.7	-48.1	0	0	0	112.5	T60 R357 L391	T60-D393 WeakPolarHBondContact O-CB 3.47Å; R357-D393 PolarHBondContact NH2-O 3.41Å; L391-D393 PolarHBondContact O-N 3.08Å
394	G	98	Very high	97.5	Very high	6 Å²	6	51.6 Å²	51.6	6%	0.062	26%	0.259	C	S	.	.	S	Bend	trans	-67.8	173.6	178.1	0	0	0	0	0	114.1	P58 A59 R357 L391 Y396	P58-G394 VanDerWaalsContact O-CA 3.27Å; P58-G394 WeakPolarHBondContact O-CA 3.39Å; A59-G394 WeakPolarHBondContact O-CA 3.21Å; R357-G394 PolarHBondContact NH1-O 2.95Å; L391-G394 PolarHBondContact O-N 2.7Å; G394-Y396 PolarHBondContact O-N 3.37Å
395	Y	98.6	Very high	97.5	Very high	13 Å²	13	50 Å²	50	5%	0.051	26%	0.255	C	S	.	.			trans	-102.2	52.4	-170.8	-45	-40.1	0	0	0	112.5	F56 P58 G61 L354 N356 R357	F56-Y395 HydrophobicContact CB-CE2 4.41Å; P58-Y395 HydrophobicContact CB-CD2 3.84Å; P58-Y395 HydrophobicContact CB-CE2 4.26Å; P58-Y395 PolarHBondContact O-N 2.81Å; G61-Y395 WeakPolarHBondContact CA-OH 3.26Å; L354-Y395 PolarHBondContact N-O 2.79Å; L354-Y395 WeakPolarHBondContact O-CB 3.34Å; L354-Y395 WeakPolarHBondContact O-CD2 3.45Å; N356-Y395 HydrophobicContact CB-CE2 4.36Å; R357-Y395 HydrophobicContact CB-CD1 4.08Å; R357-Y395 HydrophobicContact CB-CE1 3.96Å
396	Y	98.8	Very high	97.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	25%	0.247	C	C	.	.			trans	-92.7	148.1	-172.8	-59.3	-91.6	0	0	0	113.5	A59 I341 G342 P353 Y384 P386 L391 G394	A59-Y396 WeakPolarHBondContact CA-OH 3.44Å; A59-Y396 WeakPolarHBondContact CB-OH 3.13Å; A59-Y396 WeakPolarHBondContact O-CE2 3.12Å; A59-Y396 PolarHBondContact O-OH 3.34Å; I341-Y396 HydrophobicContact CG2-CD1 3.67Å; I341-Y396 HydrophobicContact CG2-CE1 4.3Å; G342-Y396 WeakPolarHBondContact O-CE1 3.49Å; G342-Y396 PolarHBondContact O-OH 3.06Å; P353-Y396 HydrophobicContact CB-CD1 3.96Å; P353-Y396 HydrophobicContact CB-CD2 4.25Å; P353-Y396 HydrophobicContact CB-CE1 3.83Å; P353-Y396 HydrophobicContact CB-CE2 4.1Å; P353-Y396 HydrophobicContact CB-CG 4.16Å; P353-Y396 HydrophobicContact CG-CE1 4.17Å; P353-Y396 VanDerWaalsContact N-CE1 3.3Å; Y384-Y396 PolarHBondContact N-O 2.93Å; Y384-Y396 WeakPolarHBondContact O-CB 3.31Å; P386-Y396 HydrophobicContact CG-CD1 4.12Å; P386-Y396 HydrophobicContact CG-CD2 3.72Å; P386-Y396 HydrophobicContact CG-CE1 4.15Å; P386-Y396 HydrophobicContact CG-CE2 3.77Å; P386-Y396 HydrophobicContact CG-CG 3.91Å; L391-Y396 HydrophobicContact CB-CE2 4.05Å; G394-Y396 PolarHBondContact O-N 3.37Å
397	M	98.6	Very high	97.7	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-141.6	160.3	165.4	67.5	-179.2	-72.3	0	0	110.5	L354 L360 V363 L364 D382 P419 V420	L354-M397 HydrophobicContact CD1-CG 3.55Å; L354-M397 HydrophobicContact CD1-SD 3.9Å; L354-M397 HydrophobicContact CD2-SD 4.18Å; L360-M397 HydrophobicContact CD1-CB 3.79Å; L360-M397 HydrophobicContact CD1-CG 4.18Å; L360-M397 HydrophobicContact CD1-SD 4.21Å; V363-M397 HydrophobicContact CB-SD 4.22Å; V363-M397 HydrophobicContact CG1-CE 3.86Å; V363-M397 HydrophobicContact CG1-SD 3.47Å; V363-M397 WeakPolarHBondContact CG1-SD 3.38Å; L364-M397 HydrophobicContact CD2-CB 4.49Å; L364-M397 HydrophobicContact CD2-CE 4.24Å; D382-M397 CarbonylContact O-C 3.56Å; D382-M397 VanDerWaalsContact O-CA 3.27Å; D382-M397 WeakPolarHBondContact O-CA 3.4Å; D382-M397 WeakPolarHBondContact O-CB 3.4Å; M397-P419 HydrophobicContact CE-CG 4.28Å; M397-P419 HydrophobicContact CG-CG 3.92Å; M397-P419 HydrophobicContact SD-CG 3.86Å; M397-V420 HydrophobicContact CE-CG2 4.43Å
398	R	98.8	Very high	97.9	Very high	107 Å²	107	47.9 Å²	47.9	40%	0.404	24%	0.238	S	C	.	.			trans	-76.9	134.7	171.4	-66	-174.1	171.2	103.3	-1.3	110.7	G381 D382 Y384 C400	G381-R398 PolarHBondContact N-O 3.27Å; D382-R398 PolarHBondContact O-N 2.84Å; D382-R398 IonicContact OD2-CZ 3.62Å; D382-R398 IonicContact OD2-NH1 3.54Å; D382-R398 PolarHBondContact OD2-NH1 3.36Å; Y384-R398 HydrophobicContact CD2-CG 4.12Å; Y384-R398 HydrophobicContact CG-CG 4.33Å; R398-C400 PolarHBondContact O-N 2.77Å
399	P	98.8	Very high	98.1	Very high	8 Å²	8	45 Å²	45	5%	0.052	22%	0.223	C	C	.	.			trans	-60	138.2	175.4	26.1	-33.5	0	0	0	110.5	F305 T336 I339 M351 G380 P419	F305-P399 HydrophobicContact CD1-CB 3.89Å; F305-P399 HydrophobicContact CE1-CB 3.85Å; F305-P399 HydrophobicContact CG-CB 4.49Å; F305-P399 HydrophobicContact CZ-CB 4.4Å; T336-P399 HydrophobicContact CG2-CB 3.73Å; T336-P399 HydrophobicContact CG2-CG 3.72Å; I339-P399 HydrophobicContact CB-CG 4.42Å; I339-P399 HydrophobicContact CD1-CB 4.42Å; I339-P399 HydrophobicContact CD1-CG 4.11Å; M351-P399 HydrophobicContact CE-CB 4.03Å; M351-P399 HydrophobicContact CE-CG 4.44Å; M351-P399 HydrophobicContact SD-CB 4.12Å; M351-P399 HydrophobicContact SD-CG 4.23Å; G380-P399 WeakPolarHBondContact CA-O 3.28Å; P399-P419 HydrophobicContact CB-CB 4.13Å
400	C	98.9	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.7	-166.5	-169	0	0	0	0	111.8	C379 R398 P419 V420 M421	C379-C400 WeakPolarHBondContact O-CA 3.22Å; R398-C400 PolarHBondContact O-N 2.77Å; C400-P419 PolarHBondContact N-O 2.88Å; C400-V420 HydrophobicContact CB-CB 4.41Å; C400-V420 HydrophobicContact CB-CG1 4.25Å; C400-V420 HydrophobicContact CB-CG2 4.09Å; C400-V420 WeakPolarHBondContact O-CA 3.46Å; C400-M421 PolarHBondContact O-N 3.48Å
401	V	98.9	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.3	169	-178.4	0	0	0	0	108.4	F305 V333 T336 L378 C379 M421 I423	F305-V401 HydrophobicContact CZ-CG2 4.18Å; V333-V401 HydrophobicContact CG2-CB 4.26Å; V333-V401 HydrophobicContact CG2-CG1 4.14Å; T336-V401 HydrophobicContact CG2-CG2 4.07Å; L378-V401 HydrophobicContact CB-CB 4.43Å; L378-V401 HydrophobicContact CD1-CG1 4.16Å; L378-V401 PolarHBondContact N-O 2.96Å; C379-V401 PolarHBondContact O-N 3.06Å; V401-M421 HydrophobicContact CG1-SD 4.44Å; V401-I423 HydrophobicContact CG1-CD1 3.53Å; V401-I423 HydrophobicContact CG1-CG1 4.11Å
402	L	98.9	Very high	98.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.5	175.1	-55.7	178.6	0	0	0	109.8	A370 K376 V377 C411 V420 M421 I423	A370-L402 HydrophobicContact CB-CD1 3.83Å; K376-L402 WeakPolarHBondContact O-CA 3.44Å; V377-L402 HydrophobicContact CB-CD2 4.45Å; V377-L402 HydrophobicContact CG2-CD2 3.64Å; L402-C411 HydrophobicContact CD1-CB 4.14Å; L402-V420 HydrophobicContact CD1-CG1 3.66Å; L402-V420 HydrophobicContact CG-CG1 3.98Å; L402-M421 WeakPolarHBondContact CB-O 3.38Å; L402-M421 PolarHBondContact N-O 3.25Å; L402-I423 PolarHBondContact O-N 3.39Å
403	T	98.6	Very high	98.6	Very high	31 Å²	31	37.4 Å²	37.4	19%	0.19	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	-177.8	167.5	-166.5	0	0	0	0	110	K376 L378 C405	K376-T403 HydrophobicContact CB-CG2 3.85Å; K376-T403 HydrophobicContact CD-CG2 4.18Å; K376-T403 HydrophobicContact CG-CG2 4.29Å; K376-T403 PolarHBondContact N-O 3.43Å; K376-T403 PolarHBondContact O-N 2.79Å; L378-T403 HydrophobicContact CD1-CG2 3.74Å; L378-T403 HydrophobicContact CD2-CG2 3.6Å; L378-T403 HydrophobicContact CG-CG2 3.64Å; T403-C405 PolarHBondContact O-N 2.9Å
404	N	97.8	Very high	98.7	Very high	104 Å²	104	37.9 Å²	37.9	56%	0.556	18%	0.184	S	C	*	.	S	Bend	trans	54.5	31.7	-171.1	-163.7	44.8	0	0	0	111.4	G374 K376 M409	G374-N404 PolarHBondContact O-ND2 3.35Å; K376-N404 HydrophobicContact CB-CB 4.38Å; N404-M409 VanDerWaalsContact O-CE 3.22Å; N404-M409 WeakPolarHBondContact O-CE 3.42Å
405	C	98.6	Very high	98.7	Very high	15 Å²	15	39.1 Å²	39.1	10%	0.101	19%	0.187	C	C	.	.			trans	-80.3	144	178.1	-71	0	0	0	0	109.9	T403 M409 V412 L424	T403-C405 PolarHBondContact O-N 2.9Å; C405-M409 HydrophobicContact CB-SD 4.4Å; C405-V412 HydrophobicContact CB-CG2 3.85Å; C405-L424 HydrophobicContact CB-CD2 4.4Å; C405-L424 HydrophobicContact CB-CG 4.06Å
406	R	98.6	Very high	98.7	Very high	102 Å²	102	38.8 Å²	38.8	39%	0.385	19%	0.186	S	C	.	.			trans	-124.9	153.6	174.9	-60.7	-175.7	-47.2	-85.6	-4.5	109.4	Q373 D408 M409 V412	Q373-R406 PolarHBondContact O-NH1 3.14Å; Q373-R406 PolarHBondContact O-NH2 3.35Å; R406-D408 WeakPolarHBondContact CB-OD1 3.3Å; R406-D408 IonicContact CZ-OD1 3.92Å; R406-D408 IonicContact CZ-OD2 3.68Å; R406-D408 IonicContact NE-OD1 2.72Å; R406-D408 PolarHBondContact NE-OD1 3.42Å; R406-D408 IonicContact NE-OD2 3.3Å; R406-D408 IonicContact NH2-OD1 3.54Å; R406-D408 IonicContact NH2-OD2 3.35Å; R406-D408 PolarHBondContact NH2-OD2 3.43Å; R406-D408 VanDerWaalsContact NH2-OD2 3.1Å; R406-D408 PolarHBondContact O-N 3.3Å; R406-D408 VanDerWaalsContact O-N 3.09Å; R406-M409 HydrophobicContact CB-CE 4.24Å; R406-M409 HydrophobicContact CB-CG 4.29Å; R406-M409 HydrophobicContact CG-CE 4.13Å; R406-M409 WeakPolarHBondContact O-CB 3.37Å; R406-M409 WeakPolarHBondContact O-CG 3.23Å; R406-M409 PolarHBondContact O-N 3.25Å; R406-V412 WeakPolarHBondContact O-CG2 3.36Å
407	D	98.8	Very high	98.7	Very high	50 Å²	50	40.2 Å²	40.2	27%	0.267	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.1	-175.5	-58.3	-16.1	0	0	0	112.5	M409 K413 L424 R435	D407-M409 VanDerWaalsContact C-N 3.34Å; D407-M409 PolarHBondContact O-N 2.68Å; D407-K413 WeakPolarHBondContact O-CE 3.15Å; D407-K413 WeakPolarHBondContact O-CG 3.47Å; D407-L424 WeakPolarHBondContact OD1-CD2 3.48Å; D407-R435 IonicContact OD1-CZ 2.94Å; D407-R435 IonicContact OD1-NE 3.88Å; D407-R435 IonicContact OD1-NH2 2.86Å; D407-R435 PolarHBondContact OD1-NH2 2.8Å; D407-R435 WeakPolarHBondContact OD2-CG 3.41Å; D407-R435 IonicContact OD2-CZ 2.78Å; D407-R435 IonicContact OD2-NE 2.72Å; D407-R435 PolarHBondContact OD2-NE 2.99Å; D407-R435 IonicContact OD2-NH2 2.67Å
408	D	98.6	Very high	98.7	Very high	91 Å²	91	40.2 Å²	40.2	49%	0.487	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.1	178	67.3	-58.1	0	0	0	114.7	R406 K413	R406-D408 WeakPolarHBondContact CB-OD1 3.3Å; R406-D408 IonicContact CZ-OD1 3.92Å; R406-D408 IonicContact CZ-OD2 3.68Å; R406-D408 IonicContact NE-OD1 2.72Å; R406-D408 PolarHBondContact NE-OD1 3.42Å; R406-D408 IonicContact NE-OD2 3.3Å; R406-D408 IonicContact NH2-OD1 3.54Å; R406-D408 IonicContact NH2-OD2 3.35Å; R406-D408 PolarHBondContact NH2-OD2 3.43Å; R406-D408 VanDerWaalsContact NH2-OD2 3.1Å; R406-D408 PolarHBondContact O-N 3.3Å; R406-D408 VanDerWaalsContact O-N 3.09Å; D408-K413 PolarHBondContact O-NZ 3.25Å
409	M	98.8	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-71.2	146.4	-173.2	-64.7	-175.3	178.8	0	0	113.3	Q373 A375 N404 C405 R406 D407 C411 V412 K413	Q373-M409 HydrophobicContact CB-CG 4.23Å; Q373-M409 WeakPolarHBondContact O-CE 3.37Å; A375-M409 HydrophobicContact CB-CE 4.31Å; A375-M409 HydrophobicContact CB-SD 3.9Å; N404-M409 VanDerWaalsContact O-CE 3.22Å; N404-M409 WeakPolarHBondContact O-CE 3.42Å; C405-M409 HydrophobicContact CB-SD 4.4Å; R406-M409 HydrophobicContact CB-CE 4.24Å; R406-M409 HydrophobicContact CB-CG 4.29Å; R406-M409 HydrophobicContact CG-CE 4.13Å; R406-M409 WeakPolarHBondContact O-CB 3.37Å; R406-M409 WeakPolarHBondContact O-CG 3.23Å; R406-M409 PolarHBondContact O-N 3.25Å; D407-M409 VanDerWaalsContact C-N 3.34Å; D407-M409 PolarHBondContact O-N 2.68Å; M409-C411 VanDerWaalsContact C-N 3.32Å; M409-C411 PolarHBondContact O-N 3.5Å; M409-V412 HydrophobicContact CB-CB 4.48Å; M409-V412 HydrophobicContact CB-CG2 4.17Å; M409-V412 PolarHBondContact O-N 3.44Å; M409-K413 PolarHBondContact O-N 3.13Å
410	T	98.8	Very high	98.7	Very high	46 Å²	46	34.9 Å²	34.9	28%	0.282	17%	0.173	S	C	.	.	H	α-helix	trans	-59.3	-41.3	177.8	-59.1	0	0	0	0	111.8	F366 V369 Q373 V412 K413 E414	F366-T410 HydrophobicContact CD1-CG2 4.08Å; F366-T410 HydrophobicContact CE1-CG2 3.82Å; V369-T410 HydrophobicContact CG1-CG2 4.48Å; Q373-T410 PolarHBondContact NE2-OG1 3.39Å; T410-V412 PolarHBondContact O-N 2.96Å; T410-K413 PolarHBondContact O-N 3.08Å; T410-E414 HydrophobicContact CG2-CB 4.35Å; T410-E414 HydrophobicContact CG2-CG 3.87Å; T410-E414 WeakPolarHBondContact O-CB 2.98Å; T410-E414 PolarHBondContact O-N 2.85Å
411	C	98.6	Very high	98.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-19.3	178.6	61.5	0	0	0	0	113.9	K282 A370 L402 M409 I416	K282-C411 WeakPolarHBondContact CE-O 2.97Å; K282-C411 PolarHBondContact NZ-O 2.71Å; A370-C411 HydrophobicContact CB-CB 3.91Å; L402-C411 HydrophobicContact CD1-CB 4.14Å; M409-C411 VanDerWaalsContact C-N 3.32Å; M409-C411 PolarHBondContact O-N 3.5Å; C411-I416 HydrophobicContact CB-CD1 4.03Å
412	V	98.9	Very high	98.7	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-92.1	-31.6	177	-179	0	0	0	0	111.3	K282 R317 C405 R406 M409 T410 L424	K282-V412 WeakPolarHBondContact CE-O 3.26Å; K282-V412 WeakPolarHBondContact CG-O 3.27Å; R317-V412 WeakPolarHBondContact CD-O 3.4Å; R317-V412 HydrophobicContact CG-CG1 4.09Å; C405-V412 HydrophobicContact CB-CG2 3.85Å; R406-V412 WeakPolarHBondContact O-CG2 3.36Å; M409-V412 HydrophobicContact CB-CB 4.48Å; M409-V412 HydrophobicContact CB-CG2 4.17Å; M409-V412 PolarHBondContact O-N 3.44Å; T410-V412 PolarHBondContact O-N 2.96Å; V412-L424 HydrophobicContact CG1-CD2 4.01Å; V412-L424 HydrophobicContact CG2-CD2 4.32Å
413	K	98.8	Very high	98.7	Very high	111 Å²	111	34.9 Å²	34.9	48%	0.483	17%	0.173	S	C	.	.	H	α-helix	trans	-87	-39.8	-179.8	-70.3	178.2	172.6	168.7	0	114.3	D407 D408 M409 T410	D407-K413 WeakPolarHBondContact O-CE 3.15Å; D407-K413 WeakPolarHBondContact O-CG 3.47Å; D408-K413 PolarHBondContact O-NZ 3.25Å; M409-K413 PolarHBondContact O-N 3.13Å; T410-K413 PolarHBondContact O-N 3.08Å
414	E	98.7	Very high	98.7	Very high	99 Å²	99	33.5 Å²	33.5	46%	0.463	16%	0.164	S	C	.	.	S	Bend	trans	-96.1	148.8	-170.4	-61.8	-63.3	160.4	0	0	112.7	K282 F366 T410 I416	K282-E414 WeakPolarHBondContact CD-O 3.4Å; K282-E414 PolarHBondContact NZ-O 3.3Å; F366-E414 HydrophobicContact CE1-CB 3.84Å; F366-E414 HydrophobicContact CE1-CG 4.45Å; F366-E414 HydrophobicContact CZ-CB 4.29Å; T410-E414 HydrophobicContact CG2-CB 4.35Å; T410-E414 HydrophobicContact CG2-CG 3.87Å; T410-E414 WeakPolarHBondContact O-CB 2.98Å; T410-E414 PolarHBondContact O-N 2.85Å; E414-I416 PolarHBondContact O-N 3.04Å
415	E	98.7	Very high	98.8	Very high	31 Å²	31	31.2 Å²	31.2	15%	0.145	16%	0.156	C	C	.	.			trans	-73.9	112.3	170.3	-175.4	-179.8	-126	0	0	110.3	G280 G281 R362 F417	G280-E415 WeakPolarHBondContact CA-OE1 3.37Å; G280-E415 WeakPolarHBondContact CA-OE2 3.46Å; G281-E415 PolarHBondContact N-OE1 3Å; R362-E415 PolarHBondContact NH2-O 3.5Å; E415-F417 HydrophobicContact CG-CB 4.23Å; E415-F417 HydrophobicContact CG-CD2 4.22Å
416	I	98.8	Very high	98.8	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	15%	0.151	C	C	.	.			trans	-79.4	-41.7	177.6	-58.4	176.8	0	0	0	110.5	V363 F366 C411 E414 V420	V363-I416 HydrophobicContact CB-CG2 4.37Å; V363-I416 HydrophobicContact CG1-CG2 3.92Å; V363-I416 HydrophobicContact CG2-CG2 4.18Å; F366-I416 HydrophobicContact CB-CD1 4.14Å; F366-I416 HydrophobicContact CB-CG1 4.03Å; F366-I416 HydrophobicContact CB-CG2 4Å; F366-I416 HydrophobicContact CD1-CG1 4.04Å; F366-I416 HydrophobicContact CD2-CB 4.35Å; F366-I416 HydrophobicContact CD2-CG1 4.27Å; F366-I416 HydrophobicContact CD2-CG2 3.99Å; F366-I416 HydrophobicContact CG-CB 4.41Å; F366-I416 HydrophobicContact CG-CD1 4.49Å; F366-I416 HydrophobicContact CG-CG1 3.87Å; F366-I416 HydrophobicContact CG-CG2 4.14Å; C411-I416 HydrophobicContact CB-CD1 4.03Å; E414-I416 PolarHBondContact O-N 3.04Å; I416-V420 HydrophobicContact CD1-CB 3.99Å; I416-V420 HydrophobicContact CD1-CG1 3.88Å; I416-V420 HydrophobicContact CG2-CB 4.39Å; I416-V420 HydrophobicContact CG2-CG2 4.14Å
417	F	98.8	Very high	98.8	Very high	33 Å²	33	29.4 Å²	29.4	15%	0.145	15%	0.153	C	C	.	.			trans	59.9	41	-177.7	-147.3	-111.9	0	0	0	113.7	W180 N181 G309 Q310 C312 H359 E415	W180-F417 AromaticContact CH2-CD1 3.45Å; W180-F417 HydrophobicContact CH2-CD1 3.45Å; W180-F417 VanDerWaalsContact CH2-CD1 3.45Å; W180-F417 AromaticContact CH2-CE1 3.3Å; W180-F417 HydrophobicContact CH2-CE1 3.3Å; W180-F417 AromaticContact CZ2-CD1 3.54Å; W180-F417 HydrophobicContact CZ2-CD1 3.54Å; W180-F417 AromaticContact CZ2-CE1 3.39Å; W180-F417 HydrophobicContact CZ2-CE1 3.39Å; W180-F417 HydrophobicContact CZ3-CD1 4.48Å; W180-F417 AromaticContact CZ3-CE1 3.99Å; W180-F417 HydrophobicContact CZ3-CE1 3.99Å; N181-F417 HydrophobicContact CB-CE1 4.23Å; N181-F417 HydrophobicContact CB-CZ 4.15Å; G309-F417 CarbonylContact O-C 3.57Å; Q310-F417 HydrophobicContact CB-CD1 3.95Å; Q310-F417 HydrophobicContact CB-CE1 3.78Å; Q310-F417 HydrophobicContact CB-CZ 4.34Å; Q310-F417 HydrophobicContact CG-CD1 4.4Å; Q310-F417 WeakPolarHBondContact CG-O 3.41Å; Q310-F417 VanDerWaalsContact O-CZ 3.32Å; Q310-F417 WeakPolarHBondContact O-CZ 3.44Å; C312-F417 HydrophobicContact CB-CE2 4.35Å; H359-F417 PolarHBondContact CE1-O 2.99Å; H359-F417 VanDerWaalsContact CE1-O 3.27Å; H359-F417 PolarHBondContact NE2-O 2.92Å; E415-F417 HydrophobicContact CG-CB 4.23Å; E415-F417 HydrophobicContact CG-CD2 4.22Å
418	G	98.8	Very high	98.8	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.031	16%	0.162	C	C	.	.	S	Bend	trans	-148.6	-179.2	174.5	0	0	0	0	0	110.1	Q308 G309 V420	Q308-G418 CarbonylContact O-C 3.5Å; G309-G418 PolarHBondContact O-N 2.95Å; G418-V420 PolarHBondContact O-N 3.42Å
419	P	98.8	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-81.4	66.9	-169.2	34.1	-32.1	0	0	0	110.5	F305 Q308 M351 M397 P399 C400	F305-P419 HydrophobicContact CD1-CB 3.84Å; F305-P419 HydrophobicContact CE1-CB 4.29Å; Q308-P419 WeakPolarHBondContact O-CD 3.19Å; Q308-P419 VanDerWaalsContact O-N 3.15Å; M351-P419 HydrophobicContact CE-CB 3.97Å; M351-P419 HydrophobicContact SD-CB 4.26Å; M351-P419 HydrophobicContact SD-CG 4.45Å; M397-P419 HydrophobicContact CE-CG 4.28Å; M397-P419 HydrophobicContact CG-CG 3.92Å; M397-P419 HydrophobicContact SD-CG 3.86Å; P399-P419 HydrophobicContact CB-CB 4.13Å; C400-P419 PolarHBondContact N-O 2.88Å
420	V	98.9	Very high	98.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	107.7	-175.7	-173.3	0	0	0	0	109.9	V363 V367 M397 C400 L402 I416 G418	V363-V420 HydrophobicContact CG1-CG2 3.9Å; V367-V420 HydrophobicContact CG2-CG1 4.33Å; V367-V420 HydrophobicContact CG2-CG2 3.83Å; M397-V420 HydrophobicContact CE-CG2 4.43Å; C400-V420 HydrophobicContact CB-CB 4.41Å; C400-V420 HydrophobicContact CB-CG1 4.25Å; C400-V420 HydrophobicContact CB-CG2 4.09Å; C400-V420 WeakPolarHBondContact O-CA 3.46Å; L402-V420 HydrophobicContact CD1-CG1 3.66Å; L402-V420 HydrophobicContact CG-CG1 3.98Å; I416-V420 HydrophobicContact CD1-CB 3.99Å; I416-V420 HydrophobicContact CD1-CG1 3.88Å; I416-V420 HydrophobicContact CG2-CB 4.39Å; I416-V420 HydrophobicContact CG2-CG2 4.14Å; G418-V420 PolarHBondContact O-N 3.42Å
421	M	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.6	175.9	-179.2	-170.5	-69.5	0	0	110.3	A300 N304 F305 V318 V332 C400 V401 L402 I423	A300-M421 HydrophobicContact CB-CE 3.93Å; A300-M421 VanDerWaalsContact O-CE 3.24Å; A300-M421 WeakPolarHBondContact O-CE 3.2Å; N304-M421 HydrophobicContact CB-CB 4.26Å; N304-M421 HydrophobicContact CB-CE 3.82Å; N304-M421 WeakPolarHBondContact ND2-CE 3.2Å; N304-M421 WeakPolarHBondContact OD1-CA 3.47Å; F305-M421 HydrophobicContact CE2-CE 3.89Å; F305-M421 HydrophobicContact CZ-CB 4.12Å; F305-M421 HydrophobicContact CZ-CE 4.09Å; V318-M421 HydrophobicContact CB-CG 4.38Å; V318-M421 HydrophobicContact CG2-CE 4.34Å; V318-M421 HydrophobicContact CG2-CG 3.61Å; V318-M421 HydrophobicContact CG2-SD 3.91Å; V332-M421 HydrophobicContact CG2-CE 3.92Å; V332-M421 HydrophobicContact CG2-SD 4.05Å; C400-M421 PolarHBondContact O-N 3.48Å; V401-M421 HydrophobicContact CG1-SD 4.44Å; L402-M421 WeakPolarHBondContact CB-O 3.38Å; L402-M421 PolarHBondContact N-O 3.25Å; M421-I423 HydrophobicContact CG-CG1 4.38Å; M421-I423 HydrophobicContact SD-CD1 4.38Å; M421-I423 HydrophobicContact SD-CG1 4.1Å
422	S	98.9	Very high	98.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.7	169.7	-64.7	0	0	0	0	110.3	T316 V318 L424	T316-S422 PolarHBondContact O-N 3.39Å; V318-S422 PolarHBondContact N-O 2.98Å; S422-L424 WeakPolarHBondContact O-CD1 3.23Å
423	I	98.9	Very high	98.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.7	174.9	-60.1	177	0	0	0	109.5	V318 V320 L325 F328 T329 V332 V401 L402 M421	V318-I423 WeakPolarHBondContact O-CA 3.47Å; V320-I423 HydrophobicContact CG2-CG2 4.11Å; L325-I423 HydrophobicContact CD1-CG2 3.76Å; F328-I423 HydrophobicContact CE1-CD1 4.22Å; T329-I423 HydrophobicContact CG2-CD1 4.27Å; V332-I423 HydrophobicContact CG1-CD1 3.91Å; V401-I423 HydrophobicContact CG1-CD1 3.53Å; V401-I423 HydrophobicContact CG1-CG1 4.11Å; L402-I423 PolarHBondContact O-N 3.39Å; M421-I423 HydrophobicContact CG-CG1 4.38Å; M421-I423 HydrophobicContact SD-CD1 4.38Å; M421-I423 HydrophobicContact SD-CG1 4.1Å
424	L	98.9	Very high	98.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.4	175.7	-57.5	97.8	0	0	0	109.4	R317 V318 F319 V320 C405 D407 V412 S422	R317-L424 HydrophobicContact CB-CD1 4.07Å; R317-L424 HydrophobicContact CG-CD1 4.47Å; V318-L424 PolarHBondContact O-N 3.2Å; F319-L424 CarbonylContact C-O 3.56Å; F319-L424 VanDerWaalsContact CA-O 3.28Å; F319-L424 WeakPolarHBondContact CA-O 3.35Å; F319-L424 HydrophobicContact CD1-CB 3.82Å; F319-L424 HydrophobicContact CE1-CB 3.98Å; F319-L424 HydrophobicContact CE1-CD1 4.37Å; F319-L424 HydrophobicContact CE1-CD2 4.12Å; F319-L424 HydrophobicContact CE1-CG 4.38Å; F319-L424 HydrophobicContact CZ-CD1 4.44Å; V320-L424 PolarHBondContact N-O 3.42Å; C405-L424 HydrophobicContact CB-CD2 4.4Å; C405-L424 HydrophobicContact CB-CG 4.06Å; D407-L424 WeakPolarHBondContact OD1-CD2 3.48Å; V412-L424 HydrophobicContact CG1-CD2 4.01Å; V412-L424 HydrophobicContact CG2-CD2 4.32Å; S422-L424 WeakPolarHBondContact O-CD1 3.23Å
425	S	98.7	Very high	98.8	Very high	55 Å²	55	30.4 Å²	30.4	39%	0.385	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	154.1	171.5	58.7	0	0	0	0	111.3	V320 R435	V320-S425 WeakPolarHBondContact O-CA 3.37Å; S425-R435 PolarHBondContact O-NH1 3.25Å
426	F	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.5	166.2	72.8	-87.6	0	0	0	110.8	I286 I287 F288 F319 V320 Q321 K322 T428 V432	I286-F426 HydrophobicContact CG2-CE1 3.98Å; I286-F426 HydrophobicContact CG2-CZ 3.88Å; I287-F426 WeakPolarHBondContact O-CE1 3.37Å; F288-F426 HydrophobicContact CD1-CE2 4.02Å; F288-F426 AromaticContact CD1-CZ 3.88Å; F288-F426 HydrophobicContact CD1-CZ 3.88Å; F288-F426 AromaticContact CE1-CE2 3.76Å; F288-F426 HydrophobicContact CE1-CE2 3.76Å; F288-F426 AromaticContact CE1-CZ 3.91Å; F288-F426 HydrophobicContact CE1-CZ 3.91Å; F288-F426 HydrophobicContact CG-CZ 4.34Å; F288-F426 HydrophobicContact CZ-CE2 4.43Å; F288-F426 HydrophobicContact CZ-CZ 4.37Å; F319-F426 HydrophobicContact CB-CD1 3.85Å; F319-F426 HydrophobicContact CB-CE1 4.18Å; V320-F426 VanDerWaalsContact C-CD1 3.42Å; V320-F426 WeakPolarHBondContact O-CD1 3.4Å; V320-F426 PolarHBondContact O-N 3.25Å; Q321-F426 HydrophobicContact CB-CE1 3.9Å; Q321-F426 HydrophobicContact CB-CE2 3.98Å; Q321-F426 HydrophobicContact CB-CZ 3.59Å; Q321-F426 HydrophobicContact CG-CD2 4.16Å; Q321-F426 HydrophobicContact CG-CE1 4.44Å; Q321-F426 HydrophobicContact CG-CE2 3.65Å; Q321-F426 HydrophobicContact CG-CZ 3.81Å; K322-F426 PolarHBondContact N-O 2.94Å; K322-F426 VanDerWaalsContact N-O 3.09Å; F426-T428 WeakPolarHBondContact CD2-O 3.24Å; F426-V432 HydrophobicContact CB-CB 3.93Å; F426-V432 HydrophobicContact CB-CG2 4.19Å; F426-V432 HydrophobicContact CD1-CB 4.16Å; F426-V432 HydrophobicContact CD1-CG2 3.85Å; F426-V432 HydrophobicContact CD2-CB 3.65Å; F426-V432 HydrophobicContact CD2-CG1 3.8Å; F426-V432 HydrophobicContact CD2-CG2 4.25Å; F426-V432 HydrophobicContact CE1-CG2 4.22Å; F426-V432 HydrophobicContact CE2-CB 4.12Å; F426-V432 HydrophobicContact CE2-CG1 3.79Å; F426-V432 HydrophobicContact CG-CB 3.66Å; F426-V432 HydrophobicContact CG-CG1 4.26Å; F426-V432 HydrophobicContact CG-CG2 3.85Å; F426-V432 HydrophobicContact CZ-CG1 4.25Å
427	D	98.7	Very high	98.8	Very high	79 Å²	79	30.2 Å²	30.2	42%	0.422	17%	0.168	S	C	.	.	S	Bend	trans	-104.5	-39	-180	-66.6	-79	0	0	0	111.7	K322 E431	K322-D427 WeakPolarHBondContact CD-OD1 3.46Å; K322-D427 IonicContact NZ-OD1 3.28Å; K322-D427 PolarHBondContact NZ-OD1 2.78Å; D427-E431 PolarHBondContact N-OE2 2.88Å
428	T	98.8	Very high	98.8	Very high	75 Å²	75	34.6 Å²	34.6	46%	0.46	19%	0.193	S	C	.	.			trans	-129.2	155.4	-175.6	73.5	0	0	0	0	114.4	F426 A430 E431 V432	F426-T428 WeakPolarHBondContact CD2-O 3.24Å; T428-A430 PolarHBondContact O-N 2.95Å; T428-E431 PolarHBondContact N-OE2 2.9Å; T428-E431 PolarHBondContact O-N 3.46Å; T428-E431 WeakPolarHBondContact OG1-CB 3.24Å; T428-E431 PolarHBondContact OG1-N 2.95Å; T428-V432 PolarHBondContact O-N 2.78Å; T428-V432 VanDerWaalsContact O-N 3.08Å
429	E	98.8	Very high	98.8	Very high	36 Å²	36	36 Å²	36	17%	0.168	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-43.5	175.9	-175.2	175.6	137.5	0	0	112.4	F288 V432 L433 R454 R457 V458	F288-E429 HydrophobicContact CE1-CB 3.97Å; F288-E429 HydrophobicContact CE1-CG 4.11Å; F288-E429 HydrophobicContact CZ-CB 4.24Å; F288-E429 HydrophobicContact CZ-CG 3.89Å; E429-V432 VanDerWaalsContact O-CG1 3.26Å; E429-V432 WeakPolarHBondContact O-CG1 3.4Å; E429-V432 PolarHBondContact O-N 2.96Å; E429-L433 HydrophobicContact CG-CD1 3.99Å; E429-L433 WeakPolarHBondContact O-CB 3.5Å; E429-L433 WeakPolarHBondContact O-CD1 3.37Å; E429-L433 VanDerWaalsContact O-CG 3.32Å; E429-L433 WeakPolarHBondContact O-CG 3.29Å; E429-L433 PolarHBondContact O-N 2.95Å; E429-L433 VanDerWaalsContact O-N 3.09Å; E429-R454 WeakPolarHBondContact OE2-CG 3.35Å; E429-R454 IonicContact OE2-NE 2.91Å; E429-R454 PolarHBondContact OE2-NE 3.22Å; E429-R457 VanDerWaalsContact CD-NH2 3.31Å; E429-R457 IonicContact OE1-CZ 3.87Å; E429-R457 IonicContact OE1-NE 3.73Å; E429-R457 PolarHBondContact OE1-NE 3.27Å; E429-R457 IonicContact OE1-NH2 2.71Å; E429-R457 PolarHBondContact OE1-NH2 3.48Å; E429-R457 IonicContact OE2-CZ 2.91Å; E429-R457 IonicContact OE2-NH2 3.64Å; E429-R457 PolarHBondContact OE2-NH2 3.5Å; E429-V458 HydrophobicContact CG-CG2 4.01Å
430	A	98.8	Very high	98.8	Very high	74 Å²	74	39.7 Å²	39.7	61%	0.612	22%	0.224	S	C	*	.	H	α-helix	trans	-64	-44.8	179.6	0	0	0	0	0	112	T428 L433 E434	T428-A430 PolarHBondContact O-N 2.95Å; A430-L433 PolarHBondContact O-N 3.45Å; A430-E434 PolarHBondContact O-N 2.97Å; A430-E434 VanDerWaalsContact O-N 3.13Å
431	E	98.7	Very high	98.8	Very high	50 Å²	50	40.6 Å²	40.6	23%	0.234	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-47.8	177.2	179.5	-138.9	146.1	0	0	111.7	D427 T428 L433 E434 R435	D427-E431 PolarHBondContact N-OE2 2.88Å; T428-E431 PolarHBondContact N-OE2 2.9Å; T428-E431 PolarHBondContact O-N 3.46Å; T428-E431 WeakPolarHBondContact OG1-CB 3.24Å; T428-E431 PolarHBondContact OG1-N 2.95Å; E431-L433 VanDerWaalsContact C-N 3.32Å; E431-L433 PolarHBondContact O-N 3.15Å; E431-E434 PolarHBondContact O-N 2.85Å; E431-R435 VanDerWaalsContact O-CG 3.29Å; E431-R435 WeakPolarHBondContact O-CG 3.41Å; E431-R435 PolarHBondContact O-N 2.6Å; E431-R435 VanDerWaalsContact O-N 3.08Å; E431-R435 WeakPolarHBondContact OE1-CD 3.42Å; E431-R435 IonicContact OE1-CZ 2.71Å; E431-R435 IonicContact OE1-NE 2.86Å; E431-R435 IonicContact OE1-NH1 2.65Å; E431-R435 PolarHBondContact OE1-NH1 3.23Å
432	V	98.9	Very high	98.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-32.1	-178.2	70.6	0	0	0	0	112.2	I286 F288 F319 F426 T428 E429 A436	I286-V432 HydrophobicContact CD1-CG1 4.23Å; I286-V432 HydrophobicContact CD1-CG2 3.96Å; I286-V432 HydrophobicContact CG1-CG2 3.89Å; I286-V432 HydrophobicContact CG2-CG1 3.96Å; I286-V432 HydrophobicContact CG2-CG2 3.95Å; F288-V432 HydrophobicContact CZ-CG1 4.27Å; F319-V432 HydrophobicContact CB-CG2 3.56Å; F319-V432 HydrophobicContact CD1-CG2 3.83Å; F319-V432 HydrophobicContact CD2-CG2 4.35Å; F319-V432 HydrophobicContact CG-CG2 3.67Å; F426-V432 HydrophobicContact CB-CB 3.93Å; F426-V432 HydrophobicContact CB-CG2 4.19Å; F426-V432 HydrophobicContact CD1-CB 4.16Å; F426-V432 HydrophobicContact CD1-CG2 3.85Å; F426-V432 HydrophobicContact CD2-CB 3.65Å; F426-V432 HydrophobicContact CD2-CG1 3.8Å; F426-V432 HydrophobicContact CD2-CG2 4.25Å; F426-V432 HydrophobicContact CE1-CG2 4.22Å; F426-V432 HydrophobicContact CE2-CB 4.12Å; F426-V432 HydrophobicContact CE2-CG1 3.79Å; F426-V432 HydrophobicContact CG-CB 3.66Å; F426-V432 HydrophobicContact CG-CG1 4.26Å; F426-V432 HydrophobicContact CG-CG2 3.85Å; F426-V432 HydrophobicContact CZ-CG1 4.25Å; T428-V432 PolarHBondContact O-N 2.78Å; T428-V432 VanDerWaalsContact O-N 3.08Å; E429-V432 VanDerWaalsContact O-CG1 3.26Å; E429-V432 WeakPolarHBondContact O-CG1 3.4Å; E429-V432 PolarHBondContact O-N 2.96Å; V432-A436 WeakPolarHBondContact O-CB 3.26Å; V432-A436 PolarHBondContact O-N 3.3Å
433	L	98.9	Very high	98.8	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-41.6	175.2	-77.8	167	0	0	0	112	E429 A430 E431 N437 V458 E461 L462	E429-L433 HydrophobicContact CG-CD1 3.99Å; E429-L433 WeakPolarHBondContact O-CB 3.5Å; E429-L433 WeakPolarHBondContact O-CD1 3.37Å; E429-L433 VanDerWaalsContact O-CG 3.32Å; E429-L433 WeakPolarHBondContact O-CG 3.29Å; E429-L433 PolarHBondContact O-N 2.95Å; E429-L433 VanDerWaalsContact O-N 3.09Å; A430-L433 PolarHBondContact O-N 3.45Å; E431-L433 VanDerWaalsContact C-N 3.32Å; E431-L433 PolarHBondContact O-N 3.15Å; L433-N437 WeakPolarHBondContact O-CB 3.26Å; L433-N437 PolarHBondContact O-N 3.41Å; L433-N437 VanDerWaalsContact O-N 3.1Å; L433-N437 PolarHBondContact O-ND2 3.28Å; L433-V458 HydrophobicContact CD2-CG1 4.05Å; L433-E461 HydrophobicContact CD1-CB 4.19Å; L433-E461 WeakPolarHBondContact CD1-OE2 3.36Å; L433-E461 HydrophobicContact CD2-CB 3.95Å; L433-L462 HydrophobicContact CD2-CD2 4.29Å; L433-L462 HydrophobicContact CD2-CG 4.11Å
434	E	98.8	Very high	98.8	Very high	146 Å²	146	40.9 Å²	40.9	68%	0.682	23%	0.23	S	C	*	.	H	α-helix	trans	-59.5	-52.4	173.8	-176.5	177.3	179.6	0	0	110.7	A430 E431 A436 N437 D438	A430-E434 PolarHBondContact O-N 2.97Å; A430-E434 VanDerWaalsContact O-N 3.13Å; E431-E434 PolarHBondContact O-N 2.85Å; E434-A436 PolarHBondContact O-N 2.8Å; E434-N437 CarbonylContact O-C 3.58Å; E434-N437 PolarHBondContact O-N 2.85Å; E434-D438 PolarHBondContact O-N 3.31Å
435	R	98.8	Very high	98.8	Very high	38 Å²	38	40.8 Å²	40.8	14%	0.143	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-35	-178.5	-63.8	167.9	62.6	-153.9	-6	113.1	R317 F319 D407 S425 E431 N437	R317-R435 PolarHBondContact NH1-O 2.93Å; F319-R435 HydrophobicContact CE1-CB 4.12Å; F319-R435 HydrophobicContact CZ-CB 4.36Å; D407-R435 IonicContact OD1-CZ 2.94Å; D407-R435 IonicContact OD1-NE 3.88Å; D407-R435 IonicContact OD1-NH2 2.86Å; D407-R435 PolarHBondContact OD1-NH2 2.8Å; D407-R435 WeakPolarHBondContact OD2-CG 3.41Å; D407-R435 IonicContact OD2-CZ 2.78Å; D407-R435 IonicContact OD2-NE 2.72Å; D407-R435 PolarHBondContact OD2-NE 2.99Å; D407-R435 IonicContact OD2-NH2 2.67Å; S425-R435 PolarHBondContact O-NH1 3.25Å; E431-R435 VanDerWaalsContact O-CG 3.29Å; E431-R435 WeakPolarHBondContact O-CG 3.41Å; E431-R435 PolarHBondContact O-N 2.6Å; E431-R435 VanDerWaalsContact O-N 3.08Å; E431-R435 WeakPolarHBondContact OE1-CD 3.42Å; E431-R435 IonicContact OE1-CZ 2.71Å; E431-R435 IonicContact OE1-NE 2.86Å; E431-R435 IonicContact OE1-NH1 2.65Å; E431-R435 PolarHBondContact OE1-NH1 3.23Å; R435-N437 VanDerWaalsContact C-N 3.3Å; R435-N437 PolarHBondContact O-N 3.11Å
436	A	98.9	Very high	98.8	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-39.3	174.6	0	0	0	0	0	111.2	P284 I286 R317 V432 E434 L462	P284-A436 HydrophobicContact CB-CB 3.76Å; P284-A436 HydrophobicContact CG-CB 3.82Å; I286-A436 HydrophobicContact CD1-CB 4.06Å; R317-A436 PolarHBondContact NH2-O 3.38Å; V432-A436 WeakPolarHBondContact O-CB 3.26Å; V432-A436 PolarHBondContact O-N 3.3Å; E434-A436 PolarHBondContact O-N 2.8Å; A436-L462 HydrophobicContact CB-CD2 3.82Å
437	N	98.9	Very high	98.8	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.16	21%	0.211	C	C	.	.	H	α-helix	trans	-86.8	-17.7	-178.5	-73.9	-33.1	0	0	0	114.5	L433 E434 R435 T439 E461 Q463 K485	L433-N437 WeakPolarHBondContact O-CB 3.26Å; L433-N437 PolarHBondContact O-N 3.41Å; L433-N437 VanDerWaalsContact O-N 3.1Å; L433-N437 PolarHBondContact O-ND2 3.28Å; E434-N437 CarbonylContact O-C 3.58Å; E434-N437 PolarHBondContact O-N 2.85Å; R435-N437 VanDerWaalsContact C-N 3.3Å; R435-N437 PolarHBondContact O-N 3.11Å; N437-T439 PolarHBondContact O-N 3.33Å; N437-E461 PolarHBondContact ND2-O 2.92Å; N437-Q463 WeakPolarHBondContact OD1-CB 3.33Å; N437-Q463 PolarHBondContact OD1-N 3.01Å; N437-K485 PolarHBondContact O-NZ 3.41Å
438	D	98.8	Very high	98.8	Very high	126 Å²	126	34.5 Å²	34.5	67%	0.674	19%	0.192	S	C	*	.			trans	-71	70.9	174.6	-173.9	28.1	0	0	0	112	E434	E434-D438 PolarHBondContact O-N 3.31Å
439	T	98.7	Very high	98.8	Very high	32 Å²	32	31 Å²	31	20%	0.196	17%	0.17	C	C	.	.	S	Bend	trans	-160	153.3	177.6	179.6	0	0	0	0	109.7	N437 F441 K485	N437-T439 PolarHBondContact O-N 3.33Å; T439-F441 VanDerWaalsContact C-N 3.27Å; T439-F441 WeakPolarHBondContact CG2-O 3.41Å; T439-F441 PolarHBondContact OG1-N 2.89Å; T439-K485 PolarHBondContact O-NZ 2.96Å; T439-K485 VanDerWaalsContact O-NZ 3.12Å
440	T	98.4	Very high	98.8	Very high	77 Å²	77	36.8 Å²	36.8	47%	0.472	19%	0.19	S	C	.	.	S	Bend	trans	-80	-12.3	172.8	69.4	0	0	0	0	112.9	K485 K486	T440-K485 WeakPolarHBondContact O-CB 3.32Å; T440-K486 WeakPolarHBondContact O-CB 3.39Å; T440-K486 PolarHBondContact O-N 3.27Å
441	F	98.9	Very high	98.8	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.096	18%	0.179	C	C	.	.			trans	-85.9	162.4	175.5	-63.5	-72.1	0	0	0	111.7	V258 G280 K282 T439 K485	V258-F441 HydrophobicContact CG2-CD1 4.43Å; V258-F441 HydrophobicContact CG2-CE1 3.72Å; G280-F441 VanDerWaalsContact O-CD1 3.29Å; G280-F441 WeakPolarHBondContact O-CD1 3.44Å; K282-F441 HydrophobicContact CB-CB 4.47Å; K282-F441 HydrophobicContact CB-CD2 3.71Å; K282-F441 HydrophobicContact CB-CE2 4.31Å; K282-F441 HydrophobicContact CB-CG 4.34Å; T439-F441 VanDerWaalsContact C-N 3.27Å; T439-F441 WeakPolarHBondContact CG2-O 3.41Å; T439-F441 PolarHBondContact OG1-N 2.89Å; F441-K485 WeakPolarHBondContact O-CD 3.44Å
442	G	98.6	Very high	98.8	Very high	5 Å²	5	39.9 Å²	39.9	5%	0.052	20%	0.197	C	C	.	.			trans	-165.5	40.5	179.2	0	0	0	0	0	112.5	Q463 A464 G465 Y484 S487	G442-Q463 WeakPolarHBondContact CA-O 3.43Å; G442-A464 WeakPolarHBondContact O-CA 3.33Å; G442-G465 PolarHBondContact O-N 3.1Å; G442-G465 VanDerWaalsContact O-N 3.11Å; G442-Y484 WeakPolarHBondContact O-CB 3.38Å; G442-Y484 PolarHBondContact O-N 3.42Å; G442-S487 PolarHBondContact N-OG 2.85Å
443	L	98.7	Very high	98.8	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	-75.4	-66.5	-176.1	-174.2	56.9	0	0	0	111.8	C312 C313 G465 T466 F481 S487	C312-L443 VanDerWaalsContact C-CD2 3.42Å; C312-L443 HydrophobicContact CB-CD2 3.56Å; C312-L443 WeakPolarHBondContact O-CD2 3.28Å; C313-L443 HydrophobicContact CB-CD2 4.1Å; C313-L443 HydrophobicContact CB-CG 4.32Å; L443-G465 PolarHBondContact O-N 3.2Å; L443-G465 VanDerWaalsContact O-N 3.08Å; L443-T466 PolarHBondContact O-N 3.07Å; L443-F481 HydrophobicContact CD1-CE1 4.12Å; L443-F481 HydrophobicContact CD1-CE2 4.47Å; L443-F481 HydrophobicContact CD1-CZ 3.81Å; L443-F481 HydrophobicContact CD2-CZ 4.2Å; L443-F481 HydrophobicContact CG-CZ 4.14Å; L443-S487 PolarHBondContact N-OG 2.96Å
444	A	98.8	Very high	98.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	169	179.5	0	0	0	0	0	111.7	S283 P284 C313 A464 T466 F468	S283-A444 WeakPolarHBondContact CA-O 3.46Å; S283-A444 WeakPolarHBondContact CB-O 3.22Å; S283-A444 PolarHBondContact OG-N 3.2Å; S283-A444 PolarHBondContact OG-O 3.18Å; P284-A444 WeakPolarHBondContact CD-O 3.25Å; C313-A444 HydrophobicContact CB-CB 3.7Å; A444-A464 VanDerWaalsContact C-CB 3.49Å; A444-T466 CarbonylContact C-O 3.53Å; A444-T466 WeakPolarHBondContact CA-O 3.48Å; A444-F468 HydrophobicContact CB-CE2 4.13Å
445	A	98.9	Very high	98.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	164.3	169.3	0	0	0	0	0	110.4	P284 L462 A464 T466 C467 F468	P284-A445 HydrophobicContact CG-CB 3.86Å; P284-A445 CarbonylContact O-C 3.5Å; P284-A445 VanDerWaalsContact O-CA 3.28Å; P284-A445 WeakPolarHBondContact O-CA 3.31Å; A445-L462 HydrophobicContact CB-CB 4.28Å; A445-L462 HydrophobicContact CB-CD1 3.77Å; A445-L462 HydrophobicContact CB-CD2 4.12Å; A445-L462 HydrophobicContact CB-CG 4.29Å; A445-A464 HydrophobicContact CB-CB 3.89Å; A445-T466 PolarHBondContact N-O 3.15Å; A445-C467 CarbonylContact O-C 3.52Å; A445-C467 VanDerWaalsContact O-CA 3.31Å; A445-C467 WeakPolarHBondContact O-CA 3.44Å; A445-F468 WeakPolarHBondContact O-CD2 3.43Å; A445-F468 PolarHBondContact O-N 3.03Å
446	G	98.8	Very high	98.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	153.8	174.6	0	0	0	0	0	113.3	P284 I286 F468	P284-G446 PolarHBondContact O-N 3.24Å; I286-G446 PolarHBondContact N-O 2.76Å; G446-F468 CarbonylContact C-O 3.52Å; G446-F468 WeakPolarHBondContact CA-O 3.17Å
447	V	98.9	Very high	98.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134	176.6	61.9	0	0	0	0	111.2	I286 F288 T449 V458 V459 F468 I469 N470	I286-V447 CarbonylContact O-C 3.45Å; I286-V447 VanDerWaalsContact O-CA 3.28Å; I286-V447 WeakPolarHBondContact O-CA 3.38Å; F288-V447 HydrophobicContact CD2-CG2 3.79Å; F288-V447 HydrophobicContact CE2-CG2 3.64Å; V447-T449 HydrophobicContact CG2-CG2 4.02Å; V447-V458 HydrophobicContact CB-CG1 3.93Å; V447-V458 HydrophobicContact CG1-CG1 4.36Å; V447-V458 HydrophobicContact CG2-CB 4.32Å; V447-V458 HydrophobicContact CG2-CG1 3.84Å; V447-V459 HydrophobicContact CG1-CG1 3.68Å; V447-F468 PolarHBondContact N-O 3.23Å; V447-I469 HydrophobicContact CG1-CB 4.44Å; V447-I469 HydrophobicContact CG1-CG1 3.88Å; V447-N470 PolarHBondContact O-N 3.17Å
448	F	98.9	Very high	98.8	Very high	2 Å²	2	49 Å²	49	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.3	170	-80.6	-97.4	0	0	0	110.2	L285 I286 I287 F288 C291 N295 A296 N470	L285-F448 HydrophobicContact CD1-CD2 3.68Å; L285-F448 HydrophobicContact CD1-CE2 3.79Å; I286-F448 PolarHBondContact O-N 3.42Å; I287-F448 HydrophobicContact CG1-CB 4.41Å; I287-F448 HydrophobicContact CG2-CB 4.31Å; F288-F448 PolarHBondContact N-O 3.44Å; C291-F448 HydrophobicContact CB-CB 3.92Å; N295-F448 HydrophobicContact CB-CE1 4.12Å; N295-F448 VanDerWaalsContact O-CE1 3.31Å; N295-F448 WeakPolarHBondContact O-CE1 3.49Å; A296-F448 HydrophobicContact CB-CB 4.18Å; A296-F448 HydrophobicContact CB-CD1 3.94Å; A296-F448 HydrophobicContact CB-CG 4.03Å; F448-N470 WeakPolarHBondContact CA-OD1 3Å; F448-N470 HydrophobicContact CD1-CB 4.41Å; F448-N470 VanDerWaalsContact CE1-C 3.45Å; F448-N470 HydrophobicContact CE1-CB 4.47Å
449	T	98.9	Very high	98.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	21%	0.211	C	C	.	.			trans	-164.4	151.3	179.6	-177.9	0	0	0	0	109.4	D290 V447 D451 R454 A455 N470	D290-T449 WeakPolarHBondContact OD1-CB 3.48Å; D290-T449 PolarHBondContact OD1-OG1 3.15Å; D290-T449 PolarHBondContact OD2-OG1 3.11Å; V447-T449 HydrophobicContact CG2-CG2 4.02Å; T449-D451 PolarHBondContact OG1-N 3.14Å; T449-R454 HydrophobicContact CG2-CB 4.38Å; T449-R454 HydrophobicContact CG2-CG 4.24Å; T449-R454 WeakPolarHBondContact OG1-CD 3.32Å; T449-A455 HydrophobicContact CG2-CB 3.72Å; T449-N470 PolarHBondContact N-OD1 3.31Å; T449-N470 PolarHBondContact O-ND2 3.06Å; T449-N470 PolarHBondContact O-OD1 2.75Å; T449-N470 VanDerWaalsContact O-OD1 3.08Å
450	R	98.6	Very high	98.7	Very high	158 Å²	158	47 Å²	47	60%	0.596	24%	0.235	S	C	*	.	S	Bend	trans	-91.7	-20.8	175.3	-70.1	-69.2	-171.5	175	4	111.9	D290 D292 I452	D290-R450 WeakPolarHBondContact O-CB 3.19Å; D290-R450 WeakPolarHBondContact O-CG 3.15Å; D290-R450 PolarHBondContact OD2-N 3.25Å; D292-R450 VanDerWaalsContact CB-NH2 3.35Å; D292-R450 IonicContact OD2-CZ 2.88Å; D292-R450 IonicContact OD2-NH2 3.24Å; D292-R450 PolarHBondContact OD2-NH2 3.27Å; R450-I452 PolarHBondContact O-N 3.06Å
451	D	98.8	Very high	98.7	Very high	68 Å²	68	48 Å²	48	36%	0.364	24%	0.235	S	C	.	.			trans	-73.2	116.2	176.3	-173.3	-79.8	0	0	0	112	D290 T449 Q453 R454 A455	D290-D451 PolarHBondContact OD2-N 2.88Å; T449-D451 PolarHBondContact OG1-N 3.14Å; D451-Q453 VanDerWaalsContact C-N 3.32Å; D451-Q453 PolarHBondContact O-N 3.11Å; D451-Q453 WeakPolarHBondContact OD1-CA 3.26Å; D451-Q453 WeakPolarHBondContact OD1-CB 3.25Å; D451-Q453 PolarHBondContact OD1-N 3Å; D451-R454 HydrophobicContact CB-CB 3.97Å; D451-R454 PolarHBondContact O-N 3.27Å; D451-R454 WeakPolarHBondContact OD1-CB 3.42Å; D451-R454 PolarHBondContact OD1-N 3.23Å; D451-A455 WeakPolarHBondContact O-CB 3.21Å; D451-A455 PolarHBondContact O-N 3.43Å
452	I	98.6	Very high	98.7	Very high	121 Å²	121	47.5 Å²	47.5	62%	0.621	23%	0.233	S	C	*	.	H	α-helix	trans	-63.7	-35.2	-178.7	-172.3	168.5	0	0	0	112.7	R450 H456	R450-I452 PolarHBondContact O-N 3.06Å; I452-H456 PolarHBondContact O-CD2 3.3Å; I452-H456 VanDerWaalsContact O-CD2 3.24Å; I452-H456 PolarHBondContact O-N 3.01Å
453	Q	98.8	Very high	98.8	Very high	142 Å²	142	51.8 Å²	51.8	66%	0.664	25%	0.251	S	S	*	.	H	α-helix	trans	-72.3	-43.6	-177.8	-58.6	-175.2	17.2	0	0	110.5	D451 R457	D451-Q453 VanDerWaalsContact C-N 3.32Å; D451-Q453 PolarHBondContact O-N 3.11Å; D451-Q453 WeakPolarHBondContact OD1-CA 3.26Å; D451-Q453 WeakPolarHBondContact OD1-CB 3.25Å; D451-Q453 PolarHBondContact OD1-N 3Å; Q453-R457 WeakPolarHBondContact O-CB 3.44Å; Q453-R457 PolarHBondContact O-N 3.07Å
454	R	98.8	Very high	98.8	Very high	59 Å²	59	52.2 Å²	52.2	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-48.2	172.7	-179.1	-179.3	-64.9	153.1	1.9	110.7	F288 D290 E429 T449 D451 H456 R457 V458	F288-R454 HydrophobicContact CD2-CG 4.48Å; F288-R454 HydrophobicContact CE2-CG 4.23Å; F288-R454 HydrophobicContact CZ-CG 4.34Å; D290-R454 IonicContact OD1-NH1 3.2Å; D290-R454 PolarHBondContact OD1-NH1 2.94Å; D290-R454 IonicContact OD2-NH1 3.99Å; E429-R454 WeakPolarHBondContact OE2-CG 3.35Å; E429-R454 IonicContact OE2-NE 2.91Å; E429-R454 PolarHBondContact OE2-NE 3.22Å; T449-R454 HydrophobicContact CG2-CB 4.38Å; T449-R454 HydrophobicContact CG2-CG 4.24Å; T449-R454 WeakPolarHBondContact OG1-CD 3.32Å; D451-R454 HydrophobicContact CB-CB 3.97Å; D451-R454 PolarHBondContact O-N 3.27Å; D451-R454 WeakPolarHBondContact OD1-CB 3.42Å; D451-R454 PolarHBondContact OD1-N 3.23Å; R454-H456 VanDerWaalsContact C-N 3.31Å; R454-H456 PolarHBondContact O-N 3.46Å; R454-R457 PolarHBondContact O-N 3.4Å; R454-V458 HydrophobicContact CG-CG2 3.86Å; R454-V458 VanDerWaalsContact O-CB 3.3Å; R454-V458 WeakPolarHBondContact O-CB 3.25Å; R454-V458 VanDerWaalsContact O-CG2 3.26Å; R454-V458 WeakPolarHBondContact O-CG2 3.39Å; R454-V458 PolarHBondContact O-N 3.48Å
455	A	98.8	Very high	98.7	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-52.7	-51.1	-179.8	0	0	0	0	0	111.3	T449 D451 V459 I469	T449-A455 HydrophobicContact CG2-CB 3.72Å; D451-A455 WeakPolarHBondContact O-CB 3.21Å; D451-A455 PolarHBondContact O-N 3.43Å; A455-V459 WeakPolarHBondContact O-CG1 3.46Å; A455-V459 WeakPolarHBondContact O-CG2 3.48Å; A455-V459 PolarHBondContact O-N 3.43Å; A455-I469 HydrophobicContact CB-CD1 4.15Å; A455-I469 HydrophobicContact CB-CG2 3.87Å
456	H	98.8	Very high	98.7	Very high	112 Å²	112	54.4 Å²	54.4	52%	0.519	27%	0.273	S	S	.	.	H	α-helix	trans	-73.3	-35.9	-179.3	-74.8	-67.7	0	0	0	113.9	I452 R454 V459 A460	I452-H456 PolarHBondContact O-CD2 3.3Å; I452-H456 VanDerWaalsContact O-CD2 3.24Å; I452-H456 PolarHBondContact O-N 3.01Å; R454-H456 VanDerWaalsContact C-N 3.31Å; R454-H456 PolarHBondContact O-N 3.46Å; H456-V459 WeakPolarHBondContact O-CG2 3.29Å; H456-A460 WeakPolarHBondContact O-CB 3.17Å; H456-A460 PolarHBondContact O-N 3.35Å; H456-A460 VanDerWaalsContact O-N 3.1Å
457	R	98.8	Very high	98.7	Very high	97 Å²	97	56.6 Å²	56.6	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-47.5	176	-177.9	173.3	59.8	-105.8	-3.8	111.5	E429 Q453 R454 V459 A460 E461	E429-R457 VanDerWaalsContact CD-NH2 3.31Å; E429-R457 IonicContact OE1-CZ 3.87Å; E429-R457 IonicContact OE1-NE 3.73Å; E429-R457 PolarHBondContact OE1-NE 3.27Å; E429-R457 IonicContact OE1-NH2 2.71Å; E429-R457 PolarHBondContact OE1-NH2 3.48Å; E429-R457 IonicContact OE2-CZ 2.91Å; E429-R457 IonicContact OE2-NH2 3.64Å; E429-R457 PolarHBondContact OE2-NH2 3.5Å; Q453-R457 WeakPolarHBondContact O-CB 3.44Å; Q453-R457 PolarHBondContact O-N 3.07Å; R454-R457 PolarHBondContact O-N 3.4Å; R457-V459 PolarHBondContact O-N 3.18Å; R457-A460 PolarHBondContact O-N 3.24Å; R457-E461 WeakPolarHBondContact CG-OE1 3.29Å; R457-E461 PolarHBondContact O-N 2.93Å; R457-E461 VanDerWaalsContact O-N 3.15Å
458	V	98.9	Very high	98.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-47.6	179.2	168	0	0	0	0	111.1	I286 F288 E429 L433 V447 R454 A460 E461 L462	I286-V458 HydrophobicContact CD1-CG1 4.27Å; F288-V458 HydrophobicContact CE2-CG2 3.95Å; F288-V458 HydrophobicContact CZ-CG2 3.96Å; E429-V458 HydrophobicContact CG-CG2 4.01Å; L433-V458 HydrophobicContact CD2-CG1 4.05Å; V447-V458 HydrophobicContact CB-CG1 3.93Å; V447-V458 HydrophobicContact CG1-CG1 4.36Å; V447-V458 HydrophobicContact CG2-CB 4.32Å; V447-V458 HydrophobicContact CG2-CG1 3.84Å; R454-V458 HydrophobicContact CG-CG2 3.86Å; R454-V458 VanDerWaalsContact O-CB 3.3Å; R454-V458 WeakPolarHBondContact O-CB 3.25Å; R454-V458 VanDerWaalsContact O-CG2 3.26Å; R454-V458 WeakPolarHBondContact O-CG2 3.39Å; R454-V458 PolarHBondContact O-N 3.48Å; V458-A460 VanDerWaalsContact C-N 3.29Å; V458-A460 PolarHBondContact O-N 3.24Å; V458-E461 PolarHBondContact O-N 3.35Å; V458-L462 HydrophobicContact CG1-CD1 3.8Å; V458-L462 HydrophobicContact CG1-CG 4.33Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.38Å; V458-L462 PolarHBondContact O-N 3.28Å
459	V	98.3	Very high	98.7	Very high	31 Å²	31	60 Å²	60	19%	0.188	31%	0.305	C	S	.	.	H	α-helix	trans	-68.7	-26.9	178.7	-59.6	0	0	0	0	113.6	V447 A455 H456 R457 E461 C467 I469	V447-V459 HydrophobicContact CG1-CG1 3.68Å; A455-V459 WeakPolarHBondContact O-CG1 3.46Å; A455-V459 WeakPolarHBondContact O-CG2 3.48Å; A455-V459 PolarHBondContact O-N 3.43Å; H456-V459 WeakPolarHBondContact O-CG2 3.29Å; R457-V459 PolarHBondContact O-N 3.18Å; V459-E461 VanDerWaalsContact C-N 3.29Å; V459-C467 HydrophobicContact CB-CB 3.93Å; V459-C467 HydrophobicContact CG1-CB 3.86Å; V459-I469 HydrophobicContact CG1-CD1 4.02Å; V459-I469 HydrophobicContact CG1-CG1 3.63Å; V459-I469 HydrophobicContact CG2-CD1 4.08Å
460	A	98.7	Very high	98.6	Very high	86 Å²	86	62.9 Å²	62.9	71%	0.711	32%	0.32	S	S	*	.	H	α-helix	trans	-70.5	-28	174.6	0	0	0	0	0	112.3	H456 R457 V458	H456-A460 WeakPolarHBondContact O-CB 3.17Å; H456-A460 PolarHBondContact O-N 3.35Å; H456-A460 VanDerWaalsContact O-N 3.1Å; R457-A460 PolarHBondContact O-N 3.24Å; V458-A460 VanDerWaalsContact C-N 3.29Å; V458-A460 PolarHBondContact O-N 3.24Å
461	E	98.7	Very high	98.6	Very high	98 Å²	98	59.1 Å²	59.1	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-91.9	-19.5	179.7	-68.2	-173	-142.9	0	0	113.6	L433 N437 R457 V458 V459 Q463	L433-E461 HydrophobicContact CD1-CB 4.19Å; L433-E461 WeakPolarHBondContact CD1-OE2 3.36Å; L433-E461 HydrophobicContact CD2-CB 3.95Å; N437-E461 PolarHBondContact ND2-O 2.92Å; R457-E461 WeakPolarHBondContact CG-OE1 3.29Å; R457-E461 PolarHBondContact O-N 2.93Å; R457-E461 VanDerWaalsContact O-N 3.15Å; V458-E461 PolarHBondContact O-N 3.35Å; V459-E461 VanDerWaalsContact C-N 3.29Å; E461-Q463 PolarHBondContact O-N 2.87Å
462	L	98.8	Very high	98.6	Very high	11 Å²	11	56 Å²	56	6%	0.058	30%	0.296	C	S	.	.			trans	-69.9	126.3	176.2	-78	165.7	0	0	0	111.8	P284 I286 L433 A436 A445 V458 A464	P284-L462 HydrophobicContact CG-CD2 4.1Å; I286-L462 HydrophobicContact CD1-CD2 4.13Å; L433-L462 HydrophobicContact CD2-CD2 4.29Å; L433-L462 HydrophobicContact CD2-CG 4.11Å; A436-L462 HydrophobicContact CB-CD2 3.82Å; A445-L462 HydrophobicContact CB-CB 4.28Å; A445-L462 HydrophobicContact CB-CD1 3.77Å; A445-L462 HydrophobicContact CB-CD2 4.12Å; A445-L462 HydrophobicContact CB-CG 4.29Å; V458-L462 HydrophobicContact CG1-CD1 3.8Å; V458-L462 HydrophobicContact CG1-CG 4.33Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.38Å; V458-L462 PolarHBondContact O-N 3.28Å; L462-A464 VanDerWaalsContact C-N 3.32Å; L462-A464 PolarHBondContact O-N 3.45Å; L462-A464 VanDerWaalsContact O-N 3.11Å
463	Q	98.8	Very high	98.4	Very high	94 Å²	94	51.6 Å²	51.6	44%	0.439	27%	0.273	S	S	.	.			trans	-90.1	64.6	-179.1	-62.1	178.1	-10.5	0	0	111.5	N437 G442 E461	N437-Q463 WeakPolarHBondContact OD1-CB 3.33Å; N437-Q463 PolarHBondContact OD1-N 3.01Å; G442-Q463 WeakPolarHBondContact CA-O 3.43Å; E461-Q463 PolarHBondContact O-N 2.87Å
464	A	98.8	Very high	98.1	Very high	11 Å²	11	47.7 Å²	47.7	9%	0.091	26%	0.259	C	S	.	.			trans	-134.5	154.4	178.3	0	0	0	0	0	111.8	G442 A444 A445 L462	G442-A464 WeakPolarHBondContact O-CA 3.33Å; A444-A464 VanDerWaalsContact C-CB 3.49Å; A445-A464 HydrophobicContact CB-CB 3.89Å; L462-A464 VanDerWaalsContact C-N 3.32Å; L462-A464 PolarHBondContact O-N 3.45Å; L462-A464 VanDerWaalsContact O-N 3.11Å
465	G	98.2	Very high	97.9	Very high	24 Å²	24	47 Å²	47	25%	0.247	26%	0.263	C	S	.	.	S	Bend	trans	-77.3	-25.7	-179	0	0	0	0	0	115.1	G442 L443 G482	G442-G465 PolarHBondContact O-N 3.1Å; G442-G465 VanDerWaalsContact O-N 3.11Å; L443-G465 PolarHBondContact O-N 3.2Å; L443-G465 VanDerWaalsContact O-N 3.08Å; G465-G482 VanDerWaalsContact CA-O 3.29Å; G465-G482 WeakPolarHBondContact CA-O 3.33Å
466	T	98.3	Very high	97.7	Very high	23 Å²	23	49.3 Å²	49.3	14%	0.141	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.1	173.7	-58	0	0	0	0	110.2	L443 A444 A445 F468	L443-T466 PolarHBondContact O-N 3.07Å; A444-T466 CarbonylContact C-O 3.53Å; A444-T466 WeakPolarHBondContact CA-O 3.48Å; A445-T466 PolarHBondContact N-O 3.15Å; T466-F468 HydrophobicContact CG2-CD1 4.39Å; T466-F468 HydrophobicContact CG2-CE1 3.67Å; T466-F468 HydrophobicContact CG2-CE2 4.13Å; T466-F468 HydrophobicContact CG2-CZ 3.52Å
467	C	98.5	Very high	97.7	Very high	46 Å²	46	44.5 Å²	44.5	31%	0.311	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.1	176.5	-70.3	0	0	0	0	111.1	A445 V459	A445-C467 CarbonylContact O-C 3.52Å; A445-C467 VanDerWaalsContact O-CA 3.31Å; A445-C467 WeakPolarHBondContact O-CA 3.44Å; V459-C467 HydrophobicContact CB-CB 3.93Å; V459-C467 HydrophobicContact CG1-CB 3.86Å
468	F	98.7	Very high	97.7	Very high	12 Å²	12	45.5 Å²	45.5	5%	0.053	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.8	177.9	-52	-71.9	0	0	0	111.2	A444 A445 G446 V447 T466 N471 Y472 V474	A444-F468 HydrophobicContact CB-CE2 4.13Å; A445-F468 WeakPolarHBondContact O-CD2 3.43Å; A445-F468 PolarHBondContact O-N 3.03Å; G446-F468 CarbonylContact C-O 3.52Å; G446-F468 WeakPolarHBondContact CA-O 3.17Å; V447-F468 PolarHBondContact N-O 3.23Å; T466-F468 HydrophobicContact CG2-CD1 4.39Å; T466-F468 HydrophobicContact CG2-CE1 3.67Å; T466-F468 HydrophobicContact CG2-CE2 4.13Å; T466-F468 HydrophobicContact CG2-CZ 3.52Å; F468-N471 WeakPolarHBondContact CB-O 3.3Å; F468-Y472 HydrophobicContact CB-CD2 4.45Å; F468-Y472 HydrophobicContact CD2-CD1 4.12Å; F468-Y472 AromaticContact CD2-CD2 3.81Å; F468-Y472 HydrophobicContact CD2-CD2 3.81Å; F468-Y472 HydrophobicContact CD2-CE1 4.16Å; F468-Y472 AromaticContact CD2-CE2 3.91Å; F468-Y472 HydrophobicContact CD2-CE2 3.91Å; F468-Y472 AromaticContact CD2-CG 3.93Å; F468-Y472 HydrophobicContact CD2-CG 3.93Å; F468-Y472 HydrophobicContact CE2-CD1 4.14Å; F468-Y472 HydrophobicContact CE2-CE1 4.02Å; F468-Y472 HydrophobicContact CE2-CG 4.41Å; F468-Y472 HydrophobicContact CG-CD2 4.49Å; F468-V474 HydrophobicContact CD1-CG2 3.69Å; F468-V474 HydrophobicContact CE1-CG2 3.65Å; F468-V474 WeakPolarHBondContact CE1-O 3.49Å
469	I	98.8	Very high	97.6	Very high	60 Å²	60	50.6 Å²	50.6	31%	0.308	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	170.4	-63.1	172.2	0	0	0	108.1	V447 A455 V459 N471	V447-I469 HydrophobicContact CG1-CB 4.44Å; V447-I469 HydrophobicContact CG1-CG1 3.88Å; A455-I469 HydrophobicContact CB-CD1 4.15Å; A455-I469 HydrophobicContact CB-CG2 3.87Å; V459-I469 HydrophobicContact CG1-CD1 4.02Å; V459-I469 HydrophobicContact CG1-CG1 3.63Å; V459-I469 HydrophobicContact CG2-CD1 4.08Å; I469-N471 PolarHBondContact O-N 3.31Å; I469-N471 VanDerWaalsContact O-N 3.1Å
470	N	98.5	Very high	97.6	Very high	62 Å²	62	51.9 Å²	51.9	33%	0.332	30%	0.3	S	S	.	.	S	Bend	trans	54.9	27.3	176.5	-64.9	-45.1	0	0	0	114.7	V447 F448 T449	V447-N470 PolarHBondContact O-N 3.17Å; F448-N470 WeakPolarHBondContact CA-OD1 3Å; F448-N470 HydrophobicContact CD1-CB 4.41Å; F448-N470 VanDerWaalsContact CE1-C 3.45Å; F448-N470 HydrophobicContact CE1-CB 4.47Å; T449-N470 PolarHBondContact N-OD1 3.31Å; T449-N470 PolarHBondContact O-ND2 3.06Å; T449-N470 PolarHBondContact O-OD1 2.75Å; T449-N470 VanDerWaalsContact O-OD1 3.08Å
471	N	97.9	Very high	97.6	Very high	80 Å²	80	48.7 Å²	48.7	43%	0.428	27%	0.271	S	S	.	.			trans	-156.3	177	175.2	-155	-16.7	0	0	0	109.1	F468 I469	F468-N471 WeakPolarHBondContact CB-O 3.3Å; I469-N471 PolarHBondContact O-N 3.31Å; I469-N471 VanDerWaalsContact O-N 3.1Å
472	Y	98.4	Very high	97.6	Very high	3 Å²	3	44 Å²	44	1%	0.012	25%	0.249	C	C	.	.			trans	-158.7	153	170.9	-144.9	-81.6	0	0	0	111.5	S283 L285 A303 C313 G315 F468 V474	S283-Y472 WeakPolarHBondContact CB-OH 3.38Å; L285-Y472 HydrophobicContact CB-CE2 4.17Å; L285-Y472 HydrophobicContact CD1-CD2 3.77Å; L285-Y472 HydrophobicContact CD1-CE2 3.99Å; L285-Y472 HydrophobicContact CD2-CD2 4.46Å; A303-Y472 HydrophobicContact CB-CD1 3.3Å; A303-Y472 HydrophobicContact CB-CD2 4.05Å; A303-Y472 HydrophobicContact CB-CE1 3.71Å; A303-Y472 HydrophobicContact CB-CE2 4.36Å; A303-Y472 HydrophobicContact CB-CG 3.51Å; C313-Y472 WeakPolarHBondContact O-CE1 3.31Å; C313-Y472 PolarHBondContact O-OH 3.44Å; G315-Y472 VanDerWaalsContact CA-OH 3.23Å; G315-Y472 WeakPolarHBondContact CA-OH 3.47Å; G315-Y472 PolarHBondContact N-OH 2.84Å; F468-Y472 HydrophobicContact CB-CD2 4.45Å; F468-Y472 HydrophobicContact CD2-CD1 4.12Å; F468-Y472 AromaticContact CD2-CD2 3.81Å; F468-Y472 HydrophobicContact CD2-CD2 3.81Å; F468-Y472 HydrophobicContact CD2-CE1 4.16Å; F468-Y472 AromaticContact CD2-CE2 3.91Å; F468-Y472 HydrophobicContact CD2-CE2 3.91Å; F468-Y472 AromaticContact CD2-CG 3.93Å; F468-Y472 HydrophobicContact CD2-CG 3.93Å; F468-Y472 HydrophobicContact CE2-CD1 4.14Å; F468-Y472 HydrophobicContact CE2-CE1 4.02Å; F468-Y472 HydrophobicContact CE2-CG 4.41Å; F468-Y472 HydrophobicContact CG-CD2 4.49Å; Y472-V474 VanDerWaalsContact C-N 3.28Å; Y472-V474 PolarHBondContact O-N 3.16Å
473	N	93.9	Very high	97.6	Very high	27 Å²	27	43.6 Å²	43.6	14%	0.144	25%	0.247	C	C	.	.	S	Bend	trans	61	28	175.4	-80.8	-10.4	0	0	0	115.1	M302 L306 C313 N314	M302-N473 PolarHBondContact O-ND2 2.92Å; L306-N473 HydrophobicContact CD1-CB 4Å; C313-N473 PolarHBondContact SG-OD1 3.47Å; N314-N473 PolarHBondContact OD1-ND2 3.18Å
474	V	92.8	Very high	97.5	Very high	61 Å²	61	44.8 Å²	44.8	37%	0.37	25%	0.248	S	C	.	.			trans	-87.2	133.7	166.2	-66.1	0	0	0	0	109.9	F468 Y472	F468-V474 HydrophobicContact CD1-CG2 3.69Å; F468-V474 HydrophobicContact CE1-CG2 3.65Å; F468-V474 WeakPolarHBondContact CE1-O 3.49Å; Y472-V474 VanDerWaalsContact C-N 3.28Å; Y472-V474 PolarHBondContact O-N 3.16Å
475	S	93.8	Very high	97.5	Very high	43 Å²	43	48.5 Å²	48.5	30%	0.301	26%	0.263	S	S	.	.			trans	-131.2	68	178.2	-58.4	0	0	0	0	111.9
476	P	96.1	Very high	97.5	Very high	54 Å²	54	52.8 Å²	52.8	35%	0.351	27%	0.274	S	S	.	.			trans	-61.1	138.1	176.2	-17.5	31.6	0	0	0	110.7	E478 L479	P476-E478 VanDerWaalsContact CB-OE2 3.3Å; P476-E478 WeakPolarHBondContact CB-OE2 3.44Å; P476-E478 PolarHBondContact O-N 3.19Å; P476-L479 HydrophobicContact CG-CD1 4.18Å; P476-L479 PolarHBondContact O-N 3.5Å
477	V	97.9	Very high	97.6	Very high	12 Å²	12	51.7 Å²	51.7	7%	0.073	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.7	-175.2	70.8	0	0	0	0	113.3	C140 Y143 L479 N493 G494	C140-V477 HydrophobicContact CB-CG2 4Å; Y143-V477 HydrophobicContact CD1-CG2 3.99Å; Y143-V477 HydrophobicContact CD2-CG1 3.92Å; Y143-V477 HydrophobicContact CG-CG1 3.84Å; Y143-V477 HydrophobicContact CG-CG2 4.02Å; V477-L479 VanDerWaalsContact C-N 3.29Å; V477-L479 PolarHBondContact O-N 3.48Å; V477-N493 HydrophobicContact CG2-CB 4.4Å; V477-G494 WeakPolarHBondContact O-CA 3.19Å; V477-G494 PolarHBondContact O-N 3.3Å
478	E	98.3	Very high	97.6	Very high	117 Å²	117	49.8 Å²	49.8	55%	0.547	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.2	177	-57.9	85.5	168.5	0	0	112.5	Y143 P476 G494	Y143-E478 HydrophobicContact CD2-CG 4.43Å; Y143-E478 HydrophobicContact CE2-CB 4.35Å; Y143-E478 HydrophobicContact CE2-CG 3.99Å; P476-E478 VanDerWaalsContact CB-OE2 3.3Å; P476-E478 WeakPolarHBondContact CB-OE2 3.44Å; P476-E478 PolarHBondContact O-N 3.19Å; E478-G494 WeakPolarHBondContact O-CA 3.41Å
479	L	98.1	Very high	97.6	Very high	107 Å²	107	53.2 Å²	53.2	56%	0.56	27%	0.271	S	S	*	.	S	Bend	trans	-99.3	138.6	-176.7	-62.9	178.8	0	0	0	110.8	P476 V477 N493	P476-L479 HydrophobicContact CG-CD1 4.18Å; P476-L479 PolarHBondContact O-N 3.5Å; V477-L479 VanDerWaalsContact C-N 3.29Å; V477-L479 PolarHBondContact O-N 3.48Å; L479-N493 VanDerWaalsContact O-CB 3.25Å; L479-N493 WeakPolarHBondContact O-CB 3.5Å
480	P	98.3	Very high	97.5	Very high	58 Å²	58	50.6 Å²	50.6	38%	0.377	26%	0.259	S	S	.	.			trans	-69.1	139.5	172.9	29.4	-33.4	0	0	0	110.9	R491 E492 V496	P480-R491 HydrophobicContact CB-CB 4.04Å; P480-R491 HydrophobicContact CB-CG 4.05Å; P480-E492 WeakPolarHBondContact CA-O 3.5Å; P480-V496 HydrophobicContact CB-CG1 3.65Å; P480-V496 HydrophobicContact CG-CG1 4.32Å
481	F	98.6	Very high	97.5	Very high	19 Å²	19	49.8 Å²	49.8	8%	0.083	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-117	138.7	172.6	177	-92.3	0	0	0	109.2	W189 C313 L443 R491 E492	W189-F481 HydrophobicContact CZ3-CD1 4.31Å; C313-F481 HydrophobicContact CB-CE2 4.09Å; C313-F481 HydrophobicContact CB-CZ 4.24Å; L443-F481 HydrophobicContact CD1-CE1 4.12Å; L443-F481 HydrophobicContact CD1-CE2 4.47Å; L443-F481 HydrophobicContact CD1-CZ 3.81Å; L443-F481 HydrophobicContact CD2-CZ 4.2Å; L443-F481 HydrophobicContact CG-CZ 4.14Å; F481-R491 CarbonylContact O-C 3.49Å; F481-R491 VanDerWaalsContact O-CA 3.25Å; F481-R491 WeakPolarHBondContact O-CA 3.29Å; F481-R491 WeakPolarHBondContact O-CB 3.34Å; F481-R491 VanDerWaalsContact O-CD 3.31Å; F481-R491 WeakPolarHBondContact O-CD 3.42Å; F481-E492 PolarHBondContact N-O 3.46Å; F481-E492 PolarHBondContact O-N 2.94Å
482	G	98.1	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.			trans	155	165.7	167.1	0	0	0	0	0	114.1	E278 G465	E278-G482 VanDerWaalsContact OE1-CA 3.25Å; E278-G482 WeakPolarHBondContact OE1-CA 3.46Å; E278-G482 WeakPolarHBondContact OE2-CA 3.43Å; G465-G482 VanDerWaalsContact CA-O 3.29Å; G465-G482 WeakPolarHBondContact CA-O 3.33Å
483	G	98.1	Very high	97.6	Very high	2 Å²	2	46.1 Å²	46.1	2%	0.021	23%	0.231	C	C	.	.			trans	-78.6	161.8	-164.5	0	0	0	0	0	117.6	G488 R491	G483-G488 CarbonylContact C-O 3.56Å; G483-G488 VanDerWaalsContact O-O 3.14Å; G483-R491 PolarHBondContact O-NH1 3.32Å; G483-R491 PolarHBondContact O-NH2 3.01Å
484	Y	98.4	Very high	97.8	Very high	120 Å²	120	44.8 Å²	44.8	47%	0.471	23%	0.225	S	C	.	.	S	Bend	trans	-101.1	168	155.6	-83.2	37.2	0	0	0	109.3	G442 K486 S487 R491	G442-Y484 WeakPolarHBondContact O-CB 3.38Å; G442-Y484 PolarHBondContact O-N 3.42Å; Y484-K486 PolarHBondContact O-N 2.89Å; Y484-S487 WeakPolarHBondContact O-CB 3.45Å; Y484-S487 PolarHBondContact O-N 3.41Å; Y484-R491 VanDerWaalsContact CE1-NH2 3.31Å
485	K	98.6	Very high	98	Very high	89 Å²	89	49.9 Å²	49.9	39%	0.387	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	52.5	-132.6	172.9	-57.1	172.8	176.4	175.4	0	111.6	N437 T439 T440 F441 S487	N437-K485 PolarHBondContact O-NZ 3.41Å; T439-K485 PolarHBondContact O-NZ 2.96Å; T439-K485 VanDerWaalsContact O-NZ 3.12Å; T440-K485 WeakPolarHBondContact O-CB 3.32Å; F441-K485 WeakPolarHBondContact O-CD 3.44Å; K485-S487 VanDerWaalsContact C-N 3.25Å; K485-S487 PolarHBondContact O-N 3.3Å
486	K	98.6	Very high	98.2	Very high	113 Å²	113	50 Å²	50	49%	0.491	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-78.4	-4.2	178.2	-64.6	-167.9	178.4	179.8	0	114	V258 L279 T440 Y484 G488	V258-K486 HydrophobicContact CG1-CB 4.28Å; V258-K486 HydrophobicContact CG1-CD 4.47Å; V258-K486 WeakPolarHBondContact CG2-O 3.44Å; L279-K486 WeakPolarHBondContact CD1-O 3.45Å; T440-K486 WeakPolarHBondContact O-CB 3.39Å; T440-K486 PolarHBondContact O-N 3.27Å; Y484-K486 PolarHBondContact O-N 2.89Å; K486-G488 PolarHBondContact O-N 2.81Å
487	S	98.8	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-76.7	-4.4	174.7	-69.3	0	0	0	0	113.3	L279 G280 G442 L443 Y484 K485	L279-S487 WeakPolarHBondContact CA-O 3.5Å; L279-S487 WeakPolarHBondContact CB-O 3.28Å; L279-S487 PolarHBondContact N-O 2.97Å; G280-S487 WeakPolarHBondContact O-CB 3.34Å; G280-S487 PolarHBondContact O-OG 3.26Å; G442-S487 PolarHBondContact N-OG 2.85Å; L443-S487 PolarHBondContact N-OG 2.96Å; Y484-S487 WeakPolarHBondContact O-CB 3.45Å; Y484-S487 PolarHBondContact O-N 3.41Å; K485-S487 VanDerWaalsContact C-N 3.25Å; K485-S487 PolarHBondContact O-N 3.3Å
488	G	98.6	Very high	98.4	Very high	6 Å²	6	47.4 Å²	47.4	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129	-174.5	169.9	0	0	0	0	0	114.4	L277 G483 K486	L277-G488 CarbonylContact O-C 3.5Å; L277-G488 WeakPolarHBondContact O-CA 3.49Å; G483-G488 CarbonylContact C-O 3.56Å; G483-G488 VanDerWaalsContact O-O 3.14Å; K486-G488 PolarHBondContact O-N 2.81Å
489	F	98.6	Very high	98.4	Very high	84 Å²	84	47.3 Å²	47.3	37%	0.368	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	159.6	175.4	61.9	-97.7	0	0	0	110.6	M265 V275 L277	M265-F489 HydrophobicContact CE-CE1 4.17Å; M265-F489 HydrophobicContact CE-CZ 4.08Å; M265-F489 HydrophobicContact SD-CE1 3.83Å; M265-F489 HydrophobicContact SD-CZ 3.99Å; V275-F489 HydrophobicContact CB-CE2 4.38Å; V275-F489 HydrophobicContact CB-CZ 4.33Å; V275-F489 WeakPolarHBondContact O-CE2 3.31Å; L277-F489 HydrophobicContact CD1-CD1 4.27Å; L277-F489 HydrophobicContact CD1-CE1 3.55Å; L277-F489 HydrophobicContact CD1-CZ 3.95Å; L277-F489 HydrophobicContact CG-CE1 4.1Å; L277-F489 HydrophobicContact CG-CZ 4.17Å; L277-F489 PolarHBondContact N-O 3.12Å; L277-F489 PolarHBondContact O-N 2.95Å; L277-F489 VanDerWaalsContact O-N 3.1Å
490	G	98.3	Very high	98.4	Very high	6 Å²	6	45.6 Å²	45.6	6%	0.062	21%	0.205	C	C	.	.	S	Bend	trans	81.6	177.8	-158.3	0	0	0	0	0	110.7
491	R	98.5	Very high	98.4	Very high	44 Å²	44	43 Å²	43	17%	0.166	19%	0.188	C	C	.	.			trans	-138.4	154.7	175.8	-60.1	-68.2	178.2	-103.3	7.6	110.1	P480 F481 G483 Y484 V496 T497 Y500	P480-R491 HydrophobicContact CB-CB 4.04Å; P480-R491 HydrophobicContact CB-CG 4.05Å; F481-R491 CarbonylContact O-C 3.49Å; F481-R491 VanDerWaalsContact O-CA 3.25Å; F481-R491 WeakPolarHBondContact O-CA 3.29Å; F481-R491 WeakPolarHBondContact O-CB 3.34Å; F481-R491 VanDerWaalsContact O-CD 3.31Å; F481-R491 WeakPolarHBondContact O-CD 3.42Å; G483-R491 PolarHBondContact O-NH1 3.32Å; G483-R491 PolarHBondContact O-NH2 3.01Å; Y484-R491 VanDerWaalsContact CE1-NH2 3.31Å; R491-V496 HydrophobicContact CB-CG1 4.09Å; R491-V496 HydrophobicContact CG-CG1 4.3Å; R491-T497 PolarHBondContact O-OG1 2.85Å; R491-T497 VanDerWaalsContact O-OG1 3.06Å; R491-Y500 HydrophobicContact CB-CE2 3.86Å; R491-Y500 HydrophobicContact CG-CE2 4.23Å
492	E	98.4	Very high	98.4	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.023	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-110.7	162.3	162	-63.3	-171.7	149.4	0	0	109.3	W189 K190 E278 P480 F481 T497	W189-E492 HydrophobicContact CE3-CB 4.32Å; K190-E492 VanDerWaalsContact CG-OE1 3.3Å; K190-E492 WeakPolarHBondContact CG-OE1 3.29Å; K190-E492 IonicContact NZ-OE1 3.33Å; K190-E492 PolarHBondContact NZ-OE1 3.01Å; E278-E492 HydrophobicContact CG-CG 4.06Å; P480-E492 WeakPolarHBondContact CA-O 3.5Å; F481-E492 PolarHBondContact N-O 3.46Å; F481-E492 PolarHBondContact O-N 2.94Å; E492-T497 VanDerWaalsContact C-OG1 3.3Å; E492-T497 WeakPolarHBondContact CA-OG1 3.45Å
493	N	98.4	Very high	98.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	21%	0.208	C	C	.	.	S	Bend	trans	56.2	172.6	-171.2	-62	-24.9	0	0	0	114.5	Y144 W189 V477 L479 T497	Y144-N493 WeakPolarHBondContact OH-CA 3.5Å; Y144-N493 PolarHBondContact OH-N 3.45Å; Y144-N493 PolarHBondContact OH-O 3.2Å; W189-N493 VanDerWaalsContact CH2-ND2 3.28Å; W189-N493 WeakPolarHBondContact CH2-ND2 3.32Å; W189-N493 WeakPolarHBondContact CZ2-ND2 3.12Å; W189-N493 WeakPolarHBondContact CZ3-ND2 3.48Å; V477-N493 HydrophobicContact CG2-CB 4.4Å; L479-N493 VanDerWaalsContact O-CB 3.25Å; L479-N493 WeakPolarHBondContact O-CB 3.5Å; N493-T497 WeakPolarHBondContact O-CB 3.41Å; N493-T497 PolarHBondContact O-OG1 2.88Å
494	G	98.2	Very high	98.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	168.5	-177.7	0	0	0	0	0	114.6	Y144 V477 E478 V496 T497	Y144-G494 PolarHBondContact OH-O 3.46Å; Y144-G494 VanDerWaalsContact OH-O 3.13Å; V477-G494 WeakPolarHBondContact O-CA 3.19Å; V477-G494 PolarHBondContact O-N 3.3Å; E478-G494 WeakPolarHBondContact O-CA 3.41Å; G494-V496 VanDerWaalsContact C-N 3.32Å; G494-V496 PolarHBondContact O-N 3.09Å; G494-T497 PolarHBondContact O-N 2.93Å
495	R	98.2	Very high	98.5	Very high	167 Å²	167	50 Å²	50	63%	0.63	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.5	-176.7	-176.9	174.2	175.9	159.8	-0.6	113.5	Y143 L147 T497 I498	Y143-R495 PolarHBondContact OH-N 3.04Å; L147-R495 HydrophobicContact CD1-CB 4.41Å; R495-T497 PolarHBondContact O-N 2.8Å; R495-T497 VanDerWaalsContact O-N 3.13Å; R495-I498 HydrophobicContact CG-CD1 4.43Å; R495-I498 WeakPolarHBondContact O-CB 3.4Å; R495-I498 PolarHBondContact O-N 3.49Å
496	V	98.1	Very high	98.5	Very high	46 Å²	46	50.5 Å²	50.5	28%	0.279	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.4	-177.3	70.2	0	0	0	0	112.4	P480 R491 G494 I498 E499 Y500	P480-V496 HydrophobicContact CB-CG1 3.65Å; P480-V496 HydrophobicContact CG-CG1 4.32Å; R491-V496 HydrophobicContact CB-CG1 4.09Å; R491-V496 HydrophobicContact CG-CG1 4.3Å; G494-V496 VanDerWaalsContact C-N 3.32Å; G494-V496 PolarHBondContact O-N 3.09Å; V496-I498 PolarHBondContact O-N 2.93Å; V496-I498 VanDerWaalsContact O-N 3.1Å; V496-E499 VanDerWaalsContact O-CB 3.27Å; V496-E499 WeakPolarHBondContact O-CB 3.47Å; V496-E499 WeakPolarHBondContact O-CG 3.15Å; V496-E499 PolarHBondContact O-N 3.35Å; V496-Y500 HydrophobicContact CG2-CE2 4.44Å
497	T	98.6	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-22.5	-178	-66.9	0	0	0	0	113.5	Y144 P193 R491 E492 N493 G494 R495 E499 Y500 Y501	Y144-T497 WeakPolarHBondContact OH-CB 3.42Å; Y144-T497 WeakPolarHBondContact OH-CG2 3.42Å; P193-T497 HydrophobicContact CB-CG2 3.79Å; P193-T497 HydrophobicContact CG-CG2 3.94Å; R491-T497 PolarHBondContact O-OG1 2.85Å; R491-T497 VanDerWaalsContact O-OG1 3.06Å; E492-T497 VanDerWaalsContact C-OG1 3.3Å; E492-T497 WeakPolarHBondContact CA-OG1 3.45Å; N493-T497 WeakPolarHBondContact O-CB 3.41Å; N493-T497 PolarHBondContact O-OG1 2.88Å; G494-T497 PolarHBondContact O-N 2.93Å; R495-T497 PolarHBondContact O-N 2.8Å; R495-T497 VanDerWaalsContact O-N 3.13Å; T497-E499 PolarHBondContact O-N 2.69Å; T497-Y500 PolarHBondContact O-N 2.97Å; T497-Y501 HydrophobicContact CG2-CD2 4.09Å; T497-Y501 HydrophobicContact CG2-CE2 4.22Å
498	I	98.3	Very high	98.5	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.062	26%	0.255	C	S	.	.	H	α-helix	trans	-56.5	-34.4	171.6	-69.6	170.6	0	0	0	111.3	Y144 L147 M151 R495 V496 Y500 Y501 S502	Y144-I498 HydrophobicContact CE1-CG1 4.38Å; L147-I498 HydrophobicContact CB-CD1 3.99Å; L147-I498 HydrophobicContact CD1-CD1 3.83Å; L147-I498 HydrophobicContact CG-CD1 4.49Å; M151-I498 HydrophobicContact CG-CD1 4.03Å; M151-I498 HydrophobicContact CG-CG2 4.11Å; M151-I498 HydrophobicContact SD-CD1 4.21Å; M151-I498 HydrophobicContact SD-CG1 4.32Å; M151-I498 HydrophobicContact SD-CG2 3.67Å; R495-I498 HydrophobicContact CG-CD1 4.43Å; R495-I498 WeakPolarHBondContact O-CB 3.4Å; R495-I498 PolarHBondContact O-N 3.49Å; V496-I498 PolarHBondContact O-N 2.93Å; V496-I498 VanDerWaalsContact O-N 3.1Å; I498-Y500 VanDerWaalsContact C-N 3.26Å; I498-Y500 PolarHBondContact O-N 3.28Å; I498-Y501 CarbonylContact O-C 3.5Å; I498-Y501 PolarHBondContact O-N 2.67Å; I498-S502 WeakPolarHBondContact O-CB 3.35Å; I498-S502 PolarHBondContact O-N 2.84Å; I498-S502 PolarHBondContact O-OG 3.28Å
499	E	98.4	Very high	98.5	Very high	114 Å²	114	53.1 Å²	53.1	53%	0.533	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-31	178.7	-61.2	176.3	-166.4	0	0	112.2	V496 T497 Y501 S502	V496-E499 VanDerWaalsContact O-CB 3.27Å; V496-E499 WeakPolarHBondContact O-CB 3.47Å; V496-E499 WeakPolarHBondContact O-CG 3.15Å; V496-E499 PolarHBondContact O-N 3.35Å; T497-E499 PolarHBondContact O-N 2.69Å; E499-Y501 VanDerWaalsContact C-N 3.31Å; E499-Y501 PolarHBondContact O-N 2.59Å; E499-S502 VanDerWaalsContact O-O 3.07Å
500	Y	98.6	Very high	98.5	Very high	72 Å²	72	54.1 Å²	54.1	28%	0.282	27%	0.27	S	S	.	.	H	α-helix	trans	-81.5	-10.9	178.3	-55.2	-61.6	0	0	0	113.4	K251 R491 V496 T497 I498	K251-Y500 WeakPolarHBondContact CD-O 3.41Å; K251-Y500 WeakPolarHBondContact CE-O 3.36Å; K251-Y500 PolarHBondContact NZ-O 3.2Å; R491-Y500 HydrophobicContact CB-CE2 3.86Å; R491-Y500 HydrophobicContact CG-CE2 4.23Å; V496-Y500 HydrophobicContact CG2-CE2 4.44Å; T497-Y500 PolarHBondContact O-N 2.97Å; I498-Y500 VanDerWaalsContact C-N 3.26Å; I498-Y500 PolarHBondContact O-N 3.28Å
501	Y	98.9	Very high	98.5	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.016	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	10.6	179.4	-78.2	-74.7	0	0	0	113.5	C174 K190 P193 A194 C197 N199 M201 K251 S253 T497 I498 E499	C174-Y501 HydrophobicContact CB-CE1 4.18Å; K190-Y501 PolarHBondContact O-OH 3.32Å; P193-Y501 HydrophobicContact CB-CD2 3.83Å; P193-Y501 HydrophobicContact CB-CE2 4.12Å; P193-Y501 HydrophobicContact CG-CD2 4.01Å; P193-Y501 HydrophobicContact CG-CE2 3.76Å; A194-Y501 HydrophobicContact CB-CD1 3.61Å; A194-Y501 HydrophobicContact CB-CE1 3.54Å; A194-Y501 HydrophobicContact CB-CG 4.29Å; C197-Y501 WeakPolarHBondContact CB-O 3.4Å; N199-Y501 PolarHBondContact ND2-O 3.11Å; M201-Y501 HydrophobicContact CE-CE1 4.11Å; K251-Y501 HydrophobicContact CD-CD1 3.74Å; K251-Y501 HydrophobicContact CD-CE1 3.71Å; K251-Y501 HydrophobicContact CD-CG 4.44Å; S253-Y501 WeakPolarHBondContact CB-OH 3.23Å; T497-Y501 HydrophobicContact CG2-CD2 4.09Å; T497-Y501 HydrophobicContact CG2-CE2 4.22Å; I498-Y501 CarbonylContact O-C 3.5Å; I498-Y501 PolarHBondContact O-N 2.67Å; E499-Y501 VanDerWaalsContact C-N 3.31Å; E499-Y501 PolarHBondContact O-N 2.59Å
502	S	98.8	Very high	98.3	Very high	10 Å²	10	60.1 Å²	60.1	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	169.9	174.9	62.7	0	0	0	0	110.9	R168 E169 I498 E499	R168-S502 WeakPolarHBondContact CD-OG 3.18Å; R168-S502 WeakPolarHBondContact CG-OG 3.39Å; R168-S502 PolarHBondContact NH1-OG 3.43Å; E169-S502 CarbonylContact O-C 3.45Å; E169-S502 VanDerWaalsContact O-CA 3.25Å; E169-S502 WeakPolarHBondContact O-CA 3.18Å; E169-S502 WeakPolarHBondContact O-CB 3.38Å; I498-S502 WeakPolarHBondContact O-CB 3.35Å; I498-S502 PolarHBondContact O-N 2.84Å; I498-S502 PolarHBondContact O-OG 3.28Å; E499-S502 VanDerWaalsContact O-O 3.07Å
503	Q	98.7	Very high	98.2	Very high	96 Å²	96	67 Å²	67	45%	0.449	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.1	176.7	58.1	-170.9	-14.5	0	0	110	R168 E169 P170 L171	R168-Q503 WeakPolarHBondContact CA-O 3.48Å; E169-Q503 HydrophobicContact CB-CG 4.23Å; E169-Q503 PolarHBondContact N-O 2.87Å; E169-Q503 PolarHBondContact O-N 2.88Å; P170-Q503 PolarHBondContact O-NE2 2.68Å; L171-Q503 HydrophobicContact CD2-CB 3.92Å; L171-Q503 HydrophobicContact CD2-CG 4.07Å
504	L	98.6	Very high	98.2	Very high	89 Å²	89	73 Å²	73	47%	0.466	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.2	175	-66.2	178.4	0	0	0	110	R167 R168	R167-L504 WeakPolarHBondContact O-CA 3.25Å; R168-L504 HydrophobicContact CB-CD2 4.11Å
505	K	98.7	Very high	97.9	Very high	91 Å²	91	82.2 Å²	82.2	40%	0.396	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117	164.6	173.5	178.3	-72.2	152.1	0	108.7	T166 R167 E169 V507	T166-K505 CarbonylContact C-O 3.55Å; T166-K505 VanDerWaalsContact CA-O 3.26Å; T166-K505 WeakPolarHBondContact CA-O 3.47Å; R167-K505 HydrophobicContact CB-CB 4.43Å; R167-K505 PolarHBondContact N-O 2.81Å; R167-K505 PolarHBondContact O-N 2.78Å; E169-K505 IonicContact OE1-NZ 3.69Å; E169-K505 PolarHBondContact OE1-NZ 2.95Å; E169-K505 WeakPolarHBondContact OE2-CE 3.4Å; E169-K505 IonicContact OE2-NZ 2.76Å; E169-K505 PolarHBondContact OE2-NZ 3.19Å; K505-V507 HydrophobicContact CD-CG2 4.5Å; K505-V507 HydrophobicContact CG-CG2 4.23Å
506	T	98.8	Very high	97.8	Very high	100 Å²	100	77.9 Å²	77.9	61%	0.613	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.9	171.1	-56.8	0	0	0	0	109.8
507	V	98.8	Very high	97.6	Very high	36 Å²	36	80.6 Å²	80.6	22%	0.218	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.3	174.7	-175.6	0	0	0	0	107.8	G164 Y165 K505 V509	G164-V507 CarbonylContact C-O 3.41Å; G164-V507 VanDerWaalsContact CA-O 3.23Å; G164-V507 WeakPolarHBondContact CA-O 3.47Å; Y165-V507 HydrophobicContact CD1-CB 3.97Å; Y165-V507 HydrophobicContact CD1-CG1 4.26Å; Y165-V507 HydrophobicContact CD2-CB 4.3Å; Y165-V507 HydrophobicContact CD2-CG2 4.45Å; Y165-V507 HydrophobicContact CE1-CB 3.57Å; Y165-V507 HydrophobicContact CE1-CG1 3.47Å; Y165-V507 VanDerWaalsContact CE1-CG1 3.47Å; Y165-V507 HydrophobicContact CE1-CG2 4.34Å; Y165-V507 HydrophobicContact CE2-CB 3.93Å; Y165-V507 HydrophobicContact CE2-CG1 4.44Å; Y165-V507 HydrophobicContact CE2-CG2 3.86Å; Y165-V507 HydrophobicContact CG-CB 4.33Å; Y165-V507 PolarHBondContact N-O 3.35Å; Y165-V507 PolarHBondContact O-N 2.89Å; K505-V507 HydrophobicContact CD-CG2 4.5Å; K505-V507 HydrophobicContact CG-CG2 4.23Å; V507-V509 HydrophobicContact CG1-CG2 4.28Å
508	C	98.3	Very high	97.2	Very high	97 Å²	97	92.2 Å²	92.2	66%	0.655	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.7	171.7	-59.6	0	0	0	0	108.5
509	V	98.4	Very high	97.1	Very high	42 Å²	42	96.3 Å²	96.3	26%	0.255	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	107.5	177.8	-174.3	0	0	0	0	107.4	S162 F163 Y165 V507 M511	S162-V509 WeakPolarHBondContact CB-O 3.4Å; F163-V509 HydrophobicContact CD1-CB 4.07Å; F163-V509 HydrophobicContact CD1-CG1 4.45Å; F163-V509 HydrophobicContact CD2-CB 4.37Å; F163-V509 HydrophobicContact CD2-CG2 4.36Å; F163-V509 HydrophobicContact CE1-CB 3.62Å; F163-V509 HydrophobicContact CE1-CG1 3.66Å; F163-V509 HydrophobicContact CE1-CG2 4.2Å; F163-V509 HydrophobicContact CE2-CB 3.95Å; F163-V509 HydrophobicContact CE2-CG2 3.69Å; F163-V509 HydrophobicContact CG-CB 4.42Å; F163-V509 HydrophobicContact CZ-CB 3.56Å; F163-V509 HydrophobicContact CZ-CG1 3.76Å; F163-V509 HydrophobicContact CZ-CG2 3.59Å; F163-V509 PolarHBondContact N-O 3.01Å; F163-V509 PolarHBondContact O-N 3.26Å; Y165-V509 HydrophobicContact CD1-CG2 4.18Å; Y165-V509 HydrophobicContact CE1-CG2 3.71Å; V507-V509 HydrophobicContact CG1-CG2 4.28Å; V509-M511 HydrophobicContact CG1-SD 3.83Å
510	E	97.9	Very high	97.1	Very high	105 Å²	105	95.3 Å²	95.3	49%	0.491	53%	0.526	S	S	.	.			trans	-73.5	128.4	169.7	-178	46.1	-119.3	0	0	109	S162 G512	S162-E510 PolarHBondContact OG-OE1 2.67Å; S162-E510 PolarHBondContact OG-OE2 3.08Å; E510-G512 WeakPolarHBondContact OE1-CA 3.43Å; E510-G512 PolarHBondContact OE1-N 2.8Å
511	M	97.9	Very high	97	Very high	122 Å²	122	96.6 Å²	96.6	60%	0.601	54%	0.539	S	S	*	.			trans	-106.8	-10.1	-176	-68.1	-61.8	-63.1	0	0	113.2	S162 F163 V509	S162-M511 PolarHBondContact OG-N 3.41Å; F163-M511 HydrophobicContact CD1-CG 4Å; F163-M511 HydrophobicContact CD1-SD 4.25Å; F163-M511 HydrophobicContact CE1-CG 4.07Å; F163-M511 HydrophobicContact CE1-SD 3.7Å; V509-M511 HydrophobicContact CG1-SD 3.83Å
512	G	95.9	Very high	96.9	Very high	53 Å²	53	102.1 Å²	102.1	55%	0.546	57%	0.57	S	S	.	*	S	Bend	trans	-114.6	-145.6	171.2	0	0	0	0	0	112.5	E510	E510-G512 WeakPolarHBondContact OE1-CA 3.43Å; E510-G512 PolarHBondContact OE1-N 2.8Å
513	D	96.3	Very high	96.8	Very high	151 Å²	151	107.8 Å²	107.8	81%	0.807	60%	0.601	S	S	*	*			trans	-91.4	152.5	177.3	-67.4	-46.1	0	0	0	111.3	E515	D513-E515 PolarHBondContact O-N 3.34Å
514	V	97.4	Very high	96.6	Very high	127 Å²	127	108.6 Å²	108.6	77%	0.77	61%	0.611	S	S	*	*			trans	-71.6	113.6	174	179.3	0	0	0	0	109.2	S516	V514-S516 PolarHBondContact O-N 2.97Å
515	E	93	Very high	96.5	Very high	193 Å²	193	110 Å²	110	90%	0.902	62%	0.622	S	S	*	*			trans	-66.5	117.3	168.2	-66.6	-172.6	176.1	0	0	109.6	D513	D513-E515 PolarHBondContact O-N 3.34Å
516	S	94.5	Very high	96.3	Very high	76 Å²	76	111.5 Å²	111.5	53%	0.531	64%	0.639	S	S	.	*			trans	-116.9	137.8	178.4	179	0	0	0	0	110.3	V514 F518	V514-S516 PolarHBondContact O-N 2.97Å; S516-F518 VanDerWaalsContact C-N 3.26Å; S516-F518 VanDerWaalsContact CB-OXT 3.29Å; S516-F518 WeakPolarHBondContact CB-OXT 3.36Å; S516-F518 PolarHBondContact OG-N 3.35Å; S516-F518 VanDerWaalsContact OG-N 3.1Å; S516-F518 PolarHBondContact OG-OXT 3.46Å
517	A	94.4	Very high	96.1	Very high	102 Å²	102	112.4 Å²	112.4	84%	0.843	64%	0.641	S	S	*	*			trans	-83.7	-1.9	170.8	0	0	0	0	0	113.2
518	F	90.6	Very high	95.9	Very high	245 Å²	245	119.4 Å²	119.4	100%	1.075	68%	0.68	S	S	*	*			trans	-119	0	175.8	-44.9	-74.4	0	0	0	109.7	S516	S516-F518 VanDerWaalsContact C-N 3.26Å; S516-F518 VanDerWaalsContact CB-OXT 3.29Å; S516-F518 WeakPolarHBondContact CB-OXT 3.36Å; S516-F518 PolarHBondContact OG-N 3.35Å; S516-F518 VanDerWaalsContact OG-N 3.1Å; S516-F518 PolarHBondContact OG-OXT 3.46Å

Retrieved 518 of 518 residues in 323.4 ms (Link to these results)

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