A0A087YK87_POEFO Loading...

NADPH:adrenodoxin oxidoreductase, mitochondrial

AlphaFold DB , UniProt , Accession A0A087YK87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 497 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	30.3	Very low	243 Å²	243	179.9 Å²	179.9	100%	1.197	88%	0.879	S	S	*	*				0	154.7	0	-63.5	175.7	-167.4	0	0	109
2	R	29.5	Very low	30.1	Very low	257 Å²	257	179.9 Å²	179.9	97%	0.97	87%	0.871	S	S	*	*			trans	74.5	68.1	-167.4	-56.1	-175.5	178.1	-168	0.6	116.5
3	S	27.9	Very low	29.9	Very low	129 Å²	129	178.3 Å²	178.3	90%	0.902	87%	0.868	S	S	*	*			trans	-164.1	54.7	142.7	-159	0	0	0	0	112
4	C	28.1	Very low	29.8	Very low	124 Å²	124	184.1 Å²	184.1	84%	0.838	88%	0.876	S	S	*	*			trans	-142.8	33.8	-174.8	-156.7	0	0	0	0	113.1
5	R	30.1	Very low	29.9	Very low	242 Å²	242	180.7 Å²	180.7	91%	0.913	87%	0.873	S	S	*	*	S	Bend	trans	-127.7	12	-174.4	-91.9	-167.9	179.1	-164.1	1.1	115.7
6	R	30.1	Very low	29.7	Very low	235 Å²	235	177.2 Å²	177.2	89%	0.887	87%	0.872	S	S	*	*	S	Bend	trans	-115.1	9.5	-176.6	-108.9	-175.5	-179	-170.6	-0	116.5
7	L	29.6	Very low	29.5	Very low	172 Å²	172	171.4 Å²	171.4	90%	0.901	87%	0.868	S	S	*	*	S	Bend	trans	-114	11.3	177.8	-91.8	160.8	0	0	0	114
8	L	28.5	Very low	29.4	Very low	146 Å²	146	175.9 Å²	175.9	76%	0.764	87%	0.873	S	S	*	*	S	Bend	trans	-118.1	9	-178.1	-78.4	167	0	0	0	113.9
9	S	27.8	Very low	29.2	Very low	83 Å²	83	172.6 Å²	172.6	58%	0.58	87%	0.869	S	S	*	*	S	Bend	trans	-92.7	-18.2	-177.9	45.1	0	0	0	0	114.9
10	E	30.6	Very low	29.1	Very low	182 Å²	182	173.2 Å²	173.2	85%	0.85	87%	0.865	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-0.8	-174.9	-67	-174.7	165.3	0	0	114.5
11	L	30.6	Very low	28.9	Very low	166 Å²	166	176.5 Å²	176.5	87%	0.869	87%	0.868	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	13	176	-104.8	100.7	0	0	0	114.5
12	K	27.4	Very low	28.3	Very low	180 Å²	180	171.4 Å²	171.4	78%	0.783	85%	0.851	S	S	*	*			trans	-117.6	12.9	-174.1	-99.2	-170.5	175.6	-172.4	0	116.4
13	L	28.1	Very low	28.2	Very low	159 Å²	159	171.6 Å²	171.6	83%	0.832	85%	0.851	S	S	*	*			trans	-111.4	94.6	166.1	-78.1	157.7	0	0	0	107.9
14	W	28.8	Very low	28.1	Very low	259 Å²	259	169.2 Å²	169.2	98%	0.981	85%	0.847	S	S	*	*	S	Bend	trans	176.4	45.2	153.4	-103.5	48.3	0	0	0	110.8
15	T	30.6	Very low	28.2	Very low	134 Å²	134	171.5 Å²	171.5	82%	0.822	85%	0.85	S	S	*	*			trans	-141.5	67.8	173.5	56.4	0	0	0	0	111.6
16	S	26.7	Very low	28.2	Very low	124 Å²	124	167.1 Å²	167.1	87%	0.867	85%	0.845	S	S	*	*			trans	-155.8	97.8	167.3	57.7	0	0	0	0	110
17	G	26.2	Very low	28.1	Very low	78 Å²	78	165.6 Å²	165.6	80%	0.804	85%	0.848	S	S	*	*			trans	-179.5	44.1	-171.6	0	0	0	0	0	115.6
18	R	27.6	Very low	28	Very low	254 Å²	254	160.5 Å²	160.5	96%	0.958	84%	0.837	S	S	*	*			trans	-144.6	114.9	165.4	-80	-166.5	177.8	-160.3	-0	111.1
19	S	26.9	Very low	28	Very low	112 Å²	112	162.2 Å²	162.2	78%	0.783	85%	0.846	S	S	*	*			trans	-169.5	163.3	141.9	70.4	0	0	0	0	110.3
20	K	25.8	Very low	28.1	Very low	184 Å²	184	162.3 Å²	162.3	80%	0.8	86%	0.86	S	S	*	*			trans	69.4	118.7	-166.3	-50.2	-179.1	-179.5	-179.1	0	111.4
21	W	25.6	Very low	28	Very low	243 Å²	243	157.3 Å²	157.3	92%	0.92	86%	0.857	S	S	*	*			cis	-135.7	137.9	28.2	-69.4	75.4	0	0	0	113.5
22	T	27.8	Very low	28.3	Very low	137 Å²	137	155.7 Å²	155.7	84%	0.84	86%	0.86	S	S	*	*			trans	-149.8	117.3	160.7	41.7	0	0	0	0	110.1
23	R	28.3	Very low	28.3	Very low	260 Å²	260	150.4 Å²	150.4	98%	0.981	86%	0.857	S	S	*	*			trans	177	132.3	144.8	-102.4	175.3	-170.1	-162.4	3.1	110.4
24	G	25.6	Very low	28.5	Very low	79 Å²	79	152 Å²	152	81%	0.814	86%	0.857	S	S	*	*			trans	164.3	116.7	178.1	0	0	0	0	0	107.3
25	L	30.8	Very low	28.7	Very low	172 Å²	172	144 Å²	144	90%	0.901	85%	0.846	S	S	*	*			trans	-101.8	162.9	-166.3	-89.8	156.2	0	0	0	113.1
26	N	28.6	Very low	28.8	Very low	151 Å²	151	147 Å²	147	81%	0.807	85%	0.848	S	S	*	*			trans	-33.1	130.6	178.5	-71.2	-12.7	0	0	0	117.8
27	E	28.1	Very low	29.1	Very low	203 Å²	203	148.6 Å²	148.6	95%	0.949	85%	0.846	S	S	*	*				-170.6	153.4	124	-103.9	171.8	-142.3	0	0	108.4
28	G	27.2	Very low	29.7	Very low	64 Å²	64	149.6 Å²	149.6	66%	0.66	84%	0.84	S	S	*	*			cis	-175.6	160.7	-8.4	0	0	0	0	0	111.8
29	L	29.1	Very low	30.3	Very low	182 Å²	182	143.8 Å²	143.8	95%	0.953	83%	0.833	S	S	*	*			trans	50.2	118	163.1	-67.1	164.1	0	0	0	121.2
30	G	30.5	Very low	31.6	Very low	86 Å²	86	143.3 Å²	143.3	89%	0.887	83%	0.83	S	S	*	*				76.6	83.7	122.2	0	0	0	0	0	120
31	G	27.3	Very low	33.9	Very low	76 Å²	76	136 Å²	136	78%	0.784	80%	0.802	S	S	*	*			trans	-155.3	119.8	163	0	0	0	0	0	112.6	G33	G31-G33 PolarHBondContact O-N 3.3Å
32	S	37	Very low	36.9	Very low	132 Å²	132	126.3 Å²	126.3	92%	0.923	77%	0.771	S	S	*	*			trans	-76.4	64.6	175.5	50.3	0	0	0	0	111.6	K34	S32-K34 PolarHBondContact O-N 2.98Å; S32-K34 VanDerWaalsContact O-N 3.16Å
33	G	29	Very low	40.2	Very low	70 Å²	70	119.8 Å²	119.8	72%	0.722	73%	0.731	S	S	*	*			trans	-65.7	111.2	172	0	0	0	0	0	110.3	G31 A35	G31-G33 PolarHBondContact O-N 3.3Å; G33-A35 PolarHBondContact O-N 3.08Å; G33-A35 VanDerWaalsContact O-N 3.14Å
34	K	32.2	Very low	43.5	Very low	192 Å²	192	108.9 Å²	108.9	84%	0.835	69%	0.691	S	S	*	*			trans	-53.2	121.2	165.4	-73.5	177	177.1	176.3	0	107.8	S32 F36	S32-K34 PolarHBondContact O-N 2.98Å; S32-K34 VanDerWaalsContact O-N 3.16Å; K34-F36 PolarHBondContact O-N 3.15Å
35	A	32.1	Very low	47	Very low	91 Å²	91	105.1 Å²	105.1	75%	0.752	65%	0.652	S	S	*	*			trans	-62.7	101.5	171.5	0	0	0	0	0	108.3	G33 L37	G33-A35 PolarHBondContact O-N 3.08Å; G33-A35 VanDerWaalsContact O-N 3.14Å; A35-L37 PolarHBondContact O-N 3.17Å
36	F	31.9	Very low	50.2	Low	197 Å²	197	97 Å²	97	86%	0.864	61%	0.609	S	S	*	*			trans	-63.7	94.7	157.1	-90.2	-95.4	0	0	0	106.2	K34 S38	K34-F36 PolarHBondContact O-N 3.15Å; F36-S38 PolarHBondContact O-N 3.38Å
37	L	34.3	Very low	53.6	Low	158 Å²	158	89.8 Å²	89.8	83%	0.827	57%	0.571	S	S	*	*			trans	-60.7	88.4	154.4	-74.5	164.2	0	0	0	105.7	A35 T39	A35-L37 PolarHBondContact O-N 3.17Å; L37-T39 PolarHBondContact O-N 3.41Å
38	S	37.3	Very low	56.9	Low	98 Å²	98	80.4 Å²	80.4	69%	0.685	53%	0.527	S	S	*	.			trans	-59	110.7	160.6	49.7	0	0	0	0	105.5	F36 S40	F36-S38 PolarHBondContact O-N 3.38Å; S38-S40 PolarHBondContact O-N 2.81Å
39	T	41.9	Very low	60.3	Low	133 Å²	133	77.7 Å²	77.7	82%	0.816	50%	0.499	S	S	*	.			trans	-66.4	81.7	165.1	47.9	0	0	0	0	106.1	L37 S41	L37-T39 PolarHBondContact O-N 3.41Å; T39-S41 VanDerWaalsContact C-N 3.35Å; T39-S41 PolarHBondContact O-N 2.67Å
40	S	54.3	Low	63.7	Low	102 Å²	102	69 Å²	69	71%	0.713	45%	0.454	S	S	*	.			trans	-61.1	102	175.3	54.4	0	0	0	0	106.9	S38 C42	S38-S40 PolarHBondContact O-N 2.81Å; S40-C42 PolarHBondContact O-N 2.88Å; S40-C42 VanDerWaalsContact O-N 3.12Å
41	S	72.6	Confident	66.9	Low	29 Å²	29	65.5 Å²	65.5	20%	0.203	42%	0.418	C	S	.	.			trans	-53.7	116.5	175.9	32.6	0	0	0	0	108.5	T39 P43 V437 S438	T39-S41 VanDerWaalsContact C-N 3.35Å; T39-S41 PolarHBondContact O-N 2.67Å; S41-P43 WeakPolarHBondContact O-CD 3.14Å; S41-V437 WeakPolarHBondContact CB-O 3.44Å; S41-V437 PolarHBondContact OG-O 3.38Å; S41-S438 PolarHBondContact OG-O 3.3Å
42	C	89.6	Confident	70.3	Confident	40 Å²	40	62.6 Å²	62.6	27%	0.27	39%	0.385	S	S	.	.			trans	-58.3	118	170.9	169.6	0	0	0	0	108.7	S40 K44 D67 E69 H132	S40-C42 PolarHBondContact O-N 2.88Å; S40-C42 VanDerWaalsContact O-N 3.12Å; C42-K44 PolarHBondContact O-N 2.89Å; C42-D67 PolarHBondContact SG-O 3.06Å; C42-E69 WeakPolarHBondContact SG-CG 3.28Å; C42-H132 PolarHBondContact O-CE1 2.88Å
43	P	96	Very high	73.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	34%	0.344	C	S	.	.			trans	-67.6	102.2	178.4	-23.8	37.3	0	0	0	110.5	S41 D67 V68 E69 M430 V437	S41-P43 WeakPolarHBondContact O-CD 3.14Å; P43-D67 WeakPolarHBondContact CD-O 3.09Å; P43-V68 WeakPolarHBondContact O-CA 3.29Å; P43-V68 WeakPolarHBondContact O-CG2 3.37Å; P43-E69 PolarHBondContact O-N 3.07Å; P43-M430 HydrophobicContact CB-CE 3.74Å; P43-M430 HydrophobicContact CB-SD 4.06Å; P43-V437 HydrophobicContact CB-CB 4.37Å; P43-V437 HydrophobicContact CB-CG1 4.17Å; P43-V437 HydrophobicContact CG-CB 4.21Å; P43-V437 HydrophobicContact CG-CG1 4.44Å; P43-V437 HydrophobicContact CG-CG2 4.37Å
44	K	98.2	Very high	76.6	Confident	31 Å²	31	53.3 Å²	53.3	14%	0.135	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.3	172.3	-58.3	-173.6	179.3	163.6	0	111.7	C42 E69 Y131 H132 K441 P442	C42-K44 PolarHBondContact O-N 2.89Å; K44-E69 WeakPolarHBondContact CA-O 3.46Å; K44-E69 WeakPolarHBondContact CE-OE2 3.31Å; K44-E69 HydrophobicContact CG-CB 4.22Å; K44-Y131 HydrophobicContact CB-CD1 3.82Å; K44-Y131 HydrophobicContact CB-CE1 4.31Å; K44-H132 PolarHBondContact N-CE1 2.96Å; K44-H132 PolarHBondContact N-ND1 3.34Å; K44-H132 PolarHBondContact O-N 2.66Å; K44-H132 PolarHBondContact O-ND1 3.26Å; K44-K441 WeakPolarHBondContact CD-O 3.14Å; K44-K441 WeakPolarHBondContact CE-O 3.47Å; K44-K441 PolarHBondContact NZ-O 3.43Å; K44-P442 PolarHBondContact NZ-O 2.83Å
45	V	98.8	Very high	79.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.3	177.8	-178.2	0	0	0	0	110.4	I47 L61 V68 E69 V70 D71 A133 V135 L426 M430	V45-I47 HydrophobicContact CG1-CG1 4.4Å; V45-L61 HydrophobicContact CB-CD1 4.35Å; V45-L61 HydrophobicContact CG1-CD1 3.94Å; V45-L61 HydrophobicContact CG2-CD1 4.38Å; V45-V68 HydrophobicContact CG2-CG2 3.88Å; V45-E69 PolarHBondContact N-O 2.81Å; V45-V70 WeakPolarHBondContact O-CA 3.19Å; V45-D71 PolarHBondContact O-N 2.8Å; V45-A133 WeakPolarHBondContact CA-O 3.27Å; V45-A133 HydrophobicContact CG1-CB 4.26Å; V45-A133 HydrophobicContact CG2-CB 4.37Å; V45-V135 HydrophobicContact CG1-CG2 4.01Å; V45-L426 HydrophobicContact CG1-CD1 4Å; V45-L426 HydrophobicContact CG2-CD2 4.39Å; V45-M430 HydrophobicContact CG2-CE 3.78Å
46	C	98.8	Very high	82.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.4	169.7	175.8	0	0	0	0	110.4	D71 Y73 Y131 A133 V134 V135	C46-D71 CarbonylContact C-O 3.55Å; C46-D71 WeakPolarHBondContact CA-O 3.05Å; C46-Y73 WeakPolarHBondContact SG-CD2 3.11Å; C46-Y131 HydrophobicContact CB-CD1 3.88Å; C46-Y131 HydrophobicContact CB-CD2 3.57Å; C46-Y131 HydrophobicContact CB-CE1 4.11Å; C46-Y131 HydrophobicContact CB-CE2 3.81Å; C46-Y131 HydrophobicContact CB-CG 3.61Å; C46-A133 PolarHBondContact N-O 3.18Å; C46-V134 HydrophobicContact CB-CB 4.49Å; C46-V134 HydrophobicContact CB-CG1 4.37Å; C46-V134 HydrophobicContact CB-CG2 4.16Å; C46-V134 CarbonylContact O-C 3.15Å; C46-V134 WeakPolarHBondContact O-CA 3.47Å; C46-V135 PolarHBondContact O-N 3.47Å
47	I	98.9	Very high	86.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.3	172.6	-62.4	-175.8	0	0	0	108.6	V45 G54 T57 A58 V70 D71 I72 Y73 V135 S137	V45-I47 HydrophobicContact CG1-CG1 4.4Å; I47-G54 VanDerWaalsContact CG2-CA 3.44Å; I47-T57 HydrophobicContact CD1-CG2 3.92Å; I47-A58 HydrophobicContact CD1-CB 3.76Å; I47-V70 HydrophobicContact CD1-CG1 3.44Å; I47-V70 VanDerWaalsContact CD1-CG1 3.44Å; I47-V70 HydrophobicContact CG1-CG1 3.89Å; I47-D71 PolarHBondContact N-O 2.86Å; I47-I72 HydrophobicContact CB-CG1 4.28Å; I47-I72 CarbonylContact O-C 3.44Å; I47-I72 WeakPolarHBondContact O-CA 3.43Å; I47-Y73 PolarHBondContact O-N 3.06Å; I47-V135 WeakPolarHBondContact CA-O 3.28Å; I47-V135 HydrophobicContact CG1-CB 4.2Å; I47-V135 HydrophobicContact CG1-CG2 4.29Å; I47-S137 WeakPolarHBondContact CG2-OG 3.45Å
48	V	98.8	Very high	89.2	Confident	7 Å²	7	23.7 Å²	23.7	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	112.2	-178.5	-178	0	0	0	0	109.3	V118 L127 V134 V135 L136 S137 Y138 I372	V48-V118 HydrophobicContact CG1-CB 3.74Å; V48-V118 HydrophobicContact CG1-CG1 4.09Å; V48-V118 HydrophobicContact CG1-CG2 3.76Å; V48-V118 HydrophobicContact CG2-CG1 4.21Å; V48-V118 HydrophobicContact CG2-CG2 4.11Å; V48-L127 HydrophobicContact CG2-CD1 3.92Å; V48-V134 HydrophobicContact CG2-CG1 4.08Å; V48-V135 PolarHBondContact N-O 2.89Å; V48-L136 HydrophobicContact CB-CD2 4Å; V48-L136 HydrophobicContact CG1-CD2 4.48Å; V48-L136 HydrophobicContact CG2-CD2 3.89Å; V48-S137 CarbonylContact O-C 3.58Å; V48-S137 VanDerWaalsContact O-CA 3.23Å; V48-S137 WeakPolarHBondContact O-CA 3.34Å; V48-S137 PolarHBondContact O-N 3.39Å; V48-S137 PolarHBondContact O-OG 3.09Å; V48-Y138 HydrophobicContact CG1-CD1 4.3Å; V48-Y138 PolarHBondContact O-N 2.89Å; V48-Y138 VanDerWaalsContact O-N 3.1Å; V48-I372 HydrophobicContact CG1-CD1 4.41Å
49	G	98.7	Very high	92.1	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	14%	0.135	C	C	.	.			trans	101.7	129.6	-177	0	0	0	0	0	113.1	Y73 S137	G49-Y73 WeakPolarHBondContact CA-O 3.2Å; G49-Y73 PolarHBondContact N-O 3.35Å; G49-S137 PolarHBondContact O-OG 3.27Å; G49-S137 VanDerWaalsContact O-OG 3.04Å
50	S	98.8	Very high	94.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.105	C	C	.	.			trans	-100.2	21.8	-177.2	71	0	0	0	0	114.1	F55 E74 P79 F80	S50-F55 WeakPolarHBondContact O-CD2 3.36Å; S50-F55 WeakPolarHBondContact O-CE2 3.24Å; S50-E74 WeakPolarHBondContact CB-OE2 3.43Å; S50-E74 PolarHBondContact N-OE2 2.99Å; S50-E74 VanDerWaalsContact OG-CD 3.3Å; S50-E74 VanDerWaalsContact OG-CG 3.26Å; S50-E74 WeakPolarHBondContact OG-CG 3.39Å; S50-E74 PolarHBondContact OG-OE2 3.44Å; S50-P79 VanDerWaalsContact OG-CA 3.22Å; S50-P79 WeakPolarHBondContact OG-CA 3.37Å; S50-F80 CarbonylContact O-C 3.52Å; S50-F80 WeakPolarHBondContact O-CA 3.49Å; S50-F80 PolarHBondContact O-N 2.88Å; S50-F80 PolarHBondContact OG-N 3.17Å
51	G	98.6	Very high	96.9	Very high	13 Å²	13	12.3 Å²	12.3	13%	0.134	7%	0.071	C	C	.	.	S	Bend	trans	-68.6	-178.1	170.6	0	0	0	0	0	112.5	A53 G54 F55	G51-A53 PolarHBondContact O-N 3.18Å; G51-A53 VanDerWaalsContact O-N 3.11Å; G51-G54 PolarHBondContact O-N 2.95Å; G51-F55 PolarHBondContact O-N 2.84Å
52	P	98.6	Very high	98.1	Very high	15 Å²	15	11.4 Å²	11.4	10%	0.097	6%	0.064	C	C	.	.	H	α-helix	trans	-51.2	-36.8	175.1	-29.6	36.2	0	0	0	113.9	Y56 V83 F101 I412 T415	P52-Y56 HydrophobicContact CB-CD2 4.06Å; P52-Y56 HydrophobicContact CB-CE2 4.06Å; P52-Y56 VanDerWaalsContact O-CB 3.29Å; P52-Y56 WeakPolarHBondContact O-CB 3.2Å; P52-Y56 WeakPolarHBondContact O-CD2 3.42Å; P52-Y56 PolarHBondContact O-N 3.43Å; P52-V83 HydrophobicContact CG-CG2 3.44Å; P52-V83 VanDerWaalsContact CG-CG2 3.44Å; P52-F101 HydrophobicContact CB-CE2 4.27Å; P52-F101 HydrophobicContact CB-CZ 3.94Å; P52-F101 HydrophobicContact CG-CE2 4.23Å; P52-F101 HydrophobicContact CG-CZ 4.36Å; P52-I412 HydrophobicContact CB-CG2 4.3Å; P52-I412 HydrophobicContact CG-CG2 4.47Å; P52-T415 HydrophobicContact CB-CG2 4.04Å
53	A	98.7	Very high	98.5	Very high	6 Å²	6	17.8 Å²	17.8	5%	0.05	9%	0.088	C	C	.	.	H	α-helix	trans	-61.9	-49.2	-179	0	0	0	0	0	112.4	G51 T57 T415 S419	G51-A53 PolarHBondContact O-N 3.18Å; G51-A53 VanDerWaalsContact O-N 3.11Å; A53-T57 WeakPolarHBondContact O-CB 3.44Å; A53-T57 PolarHBondContact O-N 3.41Å; A53-T57 PolarHBondContact O-OG1 3.27Å; A53-T415 HydrophobicContact CB-CG2 3.8Å; A53-S419 WeakPolarHBondContact CA-OG 3.36Å; A53-S419 PolarHBondContact O-OG 3.13Å
54	G	98.8	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-48.8	177.7	0	0	0	0	0	112.4	I47 G51 Y56 T57 A58 S137	I47-G54 VanDerWaalsContact CG2-CA 3.44Å; G51-G54 PolarHBondContact O-N 2.95Å; G54-Y56 PolarHBondContact O-N 2.81Å; G54-T57 PolarHBondContact O-N 2.75Å; G54-A58 WeakPolarHBondContact O-CB 3.25Å; G54-A58 PolarHBondContact O-N 3.12Å; G54-S137 VanDerWaalsContact CA-OG 3.3Å; G54-S137 WeakPolarHBondContact CA-OG 3.4Å; G54-S137 PolarHBondContact N-OG 3.4Å
55	F	98.9	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.2	-37.8	179.7	-82.4	-65.4	0	0	0	114.1	S50 G51 A58 Q59 I72 P79 F80 F101 T104 A105	S50-F55 WeakPolarHBondContact O-CD2 3.36Å; S50-F55 WeakPolarHBondContact O-CE2 3.24Å; G51-F55 PolarHBondContact O-N 2.84Å; F55-A58 PolarHBondContact O-N 3.46Å; F55-Q59 VanDerWaalsContact O-CB 3.25Å; F55-Q59 WeakPolarHBondContact O-CB 3.44Å; F55-Q59 PolarHBondContact O-N 3.42Å; F55-I72 HydrophobicContact CD1-CD1 3.69Å; F55-I72 HydrophobicContact CE1-CD1 3.58Å; F55-I72 HydrophobicContact CG-CD1 4.45Å; F55-I72 HydrophobicContact CZ-CD1 4.3Å; F55-P79 HydrophobicContact CE2-CB 4.11Å; F55-P79 HydrophobicContact CZ-CB 4.23Å; F55-F80 HydrophobicContact CD2-CD1 4.09Å; F55-F80 AromaticContact CE2-CD1 3.52Å; F55-F80 HydrophobicContact CE2-CD1 3.52Å; F55-F80 AromaticContact CE2-CE1 3.78Å; F55-F80 HydrophobicContact CE2-CE1 3.78Å; F55-F80 HydrophobicContact CZ-CD1 4.17Å; F55-F80 AromaticContact CZ-CE1 3.95Å; F55-F80 HydrophobicContact CZ-CE1 3.95Å; F55-F101 HydrophobicContact CB-CB 4.11Å; F55-F101 HydrophobicContact CB-CD1 3.35Å; F55-F101 HydrophobicContact CB-CD2 4.22Å; F55-F101 HydrophobicContact CB-CE1 3.71Å; F55-F101 HydrophobicContact CB-CG 3.64Å; F55-F101 HydrophobicContact CB-CZ 4.3Å; F55-F101 HydrophobicContact CD1-CB 3.93Å; F55-F101 HydrophobicContact CD1-CG 4.4Å; F55-F101 HydrophobicContact CD2-CB 3.82Å; F55-F101 HydrophobicContact CD2-CD1 4.45Å; F55-F101 AromaticContact CD2-CD2 3.94Å; F55-F101 HydrophobicContact CD2-CD2 3.94Å; F55-F101 AromaticContact CD2-CG 3.84Å; F55-F101 HydrophobicContact CD2-CG 3.84Å; F55-F101 HydrophobicContact CE1-CB 4.3Å; F55-F101 HydrophobicContact CE2-CB 4.19Å; F55-F101 HydrophobicContact CG-CB 3.68Å; F55-F101 AromaticContact CG-CD1 3.94Å; F55-F101 HydrophobicContact CG-CD1 3.94Å; F55-F101 HydrophobicContact CG-CD2 4.26Å; F55-F101 AromaticContact CG-CG 3.71Å; F55-F101 HydrophobicContact CG-CG 3.71Å; F55-F101 HydrophobicContact CZ-CB 4.42Å; F55-T104 HydrophobicContact CD1-CG2 4.44Å; F55-A105 HydrophobicContact CE1-CB 3.96Å; F55-A105 HydrophobicContact CZ-CB 4.46Å
56	Y	98.8	Very high	98.1	Very high	16 Å²	16	28.3 Å²	28.3	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-70.9	-33.8	175.5	-75	-54.7	0	0	0	112.4	P52 G54 H60 F101 I412 M416 F420	P52-Y56 HydrophobicContact CB-CD2 4.06Å; P52-Y56 HydrophobicContact CB-CE2 4.06Å; P52-Y56 VanDerWaalsContact O-CB 3.29Å; P52-Y56 WeakPolarHBondContact O-CB 3.2Å; P52-Y56 WeakPolarHBondContact O-CD2 3.42Å; P52-Y56 PolarHBondContact O-N 3.43Å; G54-Y56 PolarHBondContact O-N 2.81Å; Y56-H60 WeakPolarHBondContact O-CB 3.48Å; Y56-H60 PolarHBondContact O-N 2.84Å; Y56-H60 VanDerWaalsContact O-N 3.13Å; Y56-F101 AromaticContact CD1-CE1 3.97Å; Y56-F101 HydrophobicContact CD1-CE1 3.97Å; Y56-F101 HydrophobicContact CD2-CE1 4.06Å; Y56-F101 HydrophobicContact CD2-CZ 4.08Å; Y56-F101 AromaticContact CE1-CE1 3.71Å; Y56-F101 HydrophobicContact CE1-CE1 3.71Å; Y56-F101 HydrophobicContact CE1-CZ 4.34Å; Y56-F101 AromaticContact CE2-CE1 3.8Å; Y56-F101 HydrophobicContact CE2-CE1 3.8Å; Y56-F101 AromaticContact CE2-CZ 3.63Å; Y56-F101 HydrophobicContact CE2-CZ 3.63Å; Y56-F101 HydrophobicContact CG-CE1 4.14Å; Y56-F101 AromaticContact CZ-CE1 3.62Å; Y56-F101 AromaticContact CZ-CZ 3.78Å; Y56-I412 HydrophobicContact CE2-CG2 3.86Å; Y56-M416 HydrophobicContact CD1-CB 4.25Å; Y56-M416 HydrophobicContact CD1-CG 3.65Å; Y56-M416 HydrophobicContact CD1-SD 4.31Å; Y56-M416 VanDerWaalsContact CD2-CA 3.48Å; Y56-M416 HydrophobicContact CD2-CB 3.59Å; Y56-M416 HydrophobicContact CD2-CG 3.94Å; Y56-M416 HydrophobicContact CE1-CB 4.21Å; Y56-M416 HydrophobicContact CE1-CG 3.67Å; Y56-M416 HydrophobicContact CE1-SD 3.76Å; Y56-M416 HydrophobicContact CE2-CB 3.54Å; Y56-M416 HydrophobicContact CE2-CG 3.96Å; Y56-M416 HydrophobicContact CG-CB 3.96Å; Y56-M416 HydrophobicContact CG-CG 3.8Å; Y56-F420 HydrophobicContact CD1-CE1 4.01Å; Y56-F420 HydrophobicContact CD1-CZ 4.13Å; Y56-F420 HydrophobicContact CG-CE1 4.32Å; Y56-F420 WeakPolarHBondContact O-CE1 3.19Å
57	T	98.9	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-50.3	169.2	-67.5	0	0	0	0	110.8	I47 A53 G54 Q59 H60 L61 V135 S401 S419 A423	I47-T57 HydrophobicContact CD1-CG2 3.92Å; A53-T57 WeakPolarHBondContact O-CB 3.44Å; A53-T57 PolarHBondContact O-N 3.41Å; A53-T57 PolarHBondContact O-OG1 3.27Å; G54-T57 PolarHBondContact O-N 2.75Å; T57-Q59 PolarHBondContact O-N 3.45Å; T57-H60 PolarHBondContact O-N 2.9Å; T57-H60 VanDerWaalsContact O-N 3.15Å; T57-L61 HydrophobicContact CG2-CD1 3.91Å; T57-L61 HydrophobicContact CG2-CG 4.34Å; T57-L61 WeakPolarHBondContact O-CG 3.41Å; T57-L61 PolarHBondContact O-N 3.44Å; T57-V135 HydrophobicContact CG2-CG1 4.25Å; T57-V135 HydrophobicContact CG2-CG2 4.17Å; T57-S401 PolarHBondContact OG1-OG 3.26Å; T57-S419 WeakPolarHBondContact OG1-CB 3.47Å; T57-S419 PolarHBondContact OG1-O 3.16Å; T57-A423 HydrophobicContact CG2-CB 4.28Å
58	A	98.8	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54.1	-50.7	177.5	0	0	0	0	0	112.3	I47 G54 F55 H60 L61 I62 V70 I72 T104	I47-A58 HydrophobicContact CD1-CB 3.76Å; G54-A58 WeakPolarHBondContact O-CB 3.25Å; G54-A58 PolarHBondContact O-N 3.12Å; F55-A58 PolarHBondContact O-N 3.46Å; A58-H60 VanDerWaalsContact C-N 3.3Å; A58-H60 PolarHBondContact O-N 3.42Å; A58-L61 PolarHBondContact O-N 2.83Å; A58-I62 WeakPolarHBondContact O-CB 3.42Å; A58-I62 WeakPolarHBondContact O-CG1 3.49Å; A58-I62 PolarHBondContact O-N 3.35Å; A58-V70 HydrophobicContact CB-CG1 3.87Å; A58-I72 HydrophobicContact CB-CD1 3.87Å; A58-I72 HydrophobicContact CB-CG1 4.45Å; A58-T104 HydrophobicContact CB-CG2 4Å
59	Q	98.5	Very high	97.8	Very high	51 Å²	51	34.8 Å²	34.8	24%	0.238	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-43.9	178	172.9	175.7	85	0	0	112.1	F55 T57 K63 T104	F55-Q59 VanDerWaalsContact O-CB 3.25Å; F55-Q59 WeakPolarHBondContact O-CB 3.44Å; F55-Q59 PolarHBondContact O-N 3.42Å; T57-Q59 PolarHBondContact O-N 3.45Å; Q59-K63 WeakPolarHBondContact O-CB 3.45Å; Q59-K63 PolarHBondContact O-N 2.95Å; Q59-T104 HydrophobicContact CB-CG2 4.09Å
60	H	98.6	Very high	97.8	Very high	43 Å²	43	34.5 Å²	34.5	20%	0.199	17%	0.174	C	C	.	.	H	α-helix	trans	-69.3	-42.1	-176.8	-160.3	101.6	0	0	0	111.6	Y56 T57 A58 K63 A64 F420 A423	Y56-H60 WeakPolarHBondContact O-CB 3.48Å; Y56-H60 PolarHBondContact O-N 2.84Å; Y56-H60 VanDerWaalsContact O-N 3.13Å; T57-H60 PolarHBondContact O-N 2.9Å; T57-H60 VanDerWaalsContact O-N 3.15Å; A58-H60 VanDerWaalsContact C-N 3.3Å; A58-H60 PolarHBondContact O-N 3.42Å; H60-K63 PolarHBondContact O-N 2.89Å; H60-A64 VanDerWaalsContact O-CB 3.28Å; H60-A64 WeakPolarHBondContact O-CB 3.37Å; H60-A64 PolarHBondContact O-N 3.25Å; H60-F420 HydrophobicContact CB-CD1 3.7Å; H60-F420 HydrophobicContact CB-CE1 4.1Å; H60-F420 AromaticContact CE1-CG 3.96Å; H60-F420 AromaticContact CG-CD1 3.78Å; H60-F420 AromaticContact ND1-CD1 3.24Å; H60-F420 WeakPolarHBondContact ND1-CD1 3.36Å; H60-F420 AromaticContact ND1-CD2 3.96Å; H60-F420 AromaticContact ND1-CE1 3.84Å; H60-F420 AromaticContact ND1-CG 3.3Å; H60-F420 VanDerWaalsContact ND1-CG 3.3Å; H60-F420 WeakPolarHBondContact ND1-CG 3.46Å; H60-A423 HydrophobicContact CB-CB 3.64Å
61	L	98.6	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-53.7	175.5	-65.3	173.4	0	0	0	111.3	V45 T57 A58 K63 A64 R65 V68 V70 A423 L426 L427	V45-L61 HydrophobicContact CB-CD1 4.35Å; V45-L61 HydrophobicContact CG1-CD1 3.94Å; V45-L61 HydrophobicContact CG2-CD1 4.38Å; T57-L61 HydrophobicContact CG2-CD1 3.91Å; T57-L61 HydrophobicContact CG2-CG 4.34Å; T57-L61 WeakPolarHBondContact O-CG 3.41Å; T57-L61 PolarHBondContact O-N 3.44Å; A58-L61 PolarHBondContact O-N 2.83Å; L61-K63 PolarHBondContact O-N 3.24Å; L61-A64 PolarHBondContact O-N 3.44Å; L61-A64 VanDerWaalsContact O-N 3.12Å; L61-R65 PolarHBondContact O-N 3.34Å; L61-V68 HydrophobicContact CB-CG1 4.36Å; L61-V68 WeakPolarHBondContact O-CG1 3.22Å; L61-V70 HydrophobicContact CB-CG2 4.3Å; L61-V70 HydrophobicContact CD1-CG2 4.31Å; L61-A423 HydrophobicContact CD2-CB 4.1Å; L61-A423 HydrophobicContact CG-CB 4.23Å; L61-L426 HydrophobicContact CD1-CD1 4.37Å; L61-L426 HydrophobicContact CD2-CD1 4.42Å; L61-L426 HydrophobicContact CD2-CD2 3.76Å; L61-L427 HydrophobicContact CD2-CD1 4.25Å; L61-L427 HydrophobicContact CD2-CD2 4.03Å; L61-L427 HydrophobicContact CD2-CG 3.86Å
62	I	98.1	Very high	97.9	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-34.6	-178.8	-69.4	167.5	0	0	0	112	A58 V70 T104 R109 C110	A58-I62 WeakPolarHBondContact O-CB 3.42Å; A58-I62 WeakPolarHBondContact O-CG1 3.49Å; A58-I62 PolarHBondContact O-N 3.35Å; I62-V70 HydrophobicContact CD1-CB 4.31Å; I62-V70 HydrophobicContact CD1-CG2 4.2Å; I62-V70 HydrophobicContact CG1-CG2 3.9Å; I62-T104 HydrophobicContact CD1-CG2 4.32Å; I62-R109 PolarHBondContact O-NH2 2.93Å; I62-C110 HydrophobicContact CD1-CB 3.74Å
63	K	97.5	Very high	97.9	Very high	174 Å²	174	33.5 Å²	33.5	76%	0.757	17%	0.165	S	C	*	.	H	α-helix	trans	-74.2	-37.3	176.5	-178.2	178	176.8	-177.2	0	112.8	Q59 H60 L61	Q59-K63 WeakPolarHBondContact O-CB 3.45Å; Q59-K63 PolarHBondContact O-N 2.95Å; H60-K63 PolarHBondContact O-N 2.89Å; L61-K63 PolarHBondContact O-N 3.24Å
64	A	97.2	Very high	97.9	Very high	59 Å²	59	34.4 Å²	34.4	49%	0.488	17%	0.168	S	C	.	.	H	α-helix	trans	-77.9	-39.3	-176.8	0	0	0	0	0	112.8	H60 L61 L427	H60-A64 VanDerWaalsContact O-CB 3.28Å; H60-A64 WeakPolarHBondContact O-CB 3.37Å; H60-A64 PolarHBondContact O-N 3.25Å; L61-A64 PolarHBondContact O-N 3.44Å; L61-A64 VanDerWaalsContact O-N 3.12Å; A64-L427 HydrophobicContact CB-CD1 3.47Å; A64-L427 VanDerWaalsContact CB-CD1 3.47Å; A64-L427 HydrophobicContact CB-CD2 4.3Å
65	R	94.2	Very high	97.8	Very high	49 Å²	49	39.1 Å²	39.1	19%	0.185	19%	0.186	C	C	.	.			trans	-122.6	137.1	-176.9	-78	-170.7	76.5	139.7	-8.7	111.9	L61 D67 V68 R109 L427 D431	L61-R65 PolarHBondContact O-N 3.34Å; R65-D67 WeakPolarHBondContact CB-OD1 3.23Å; R65-D67 IonicContact CZ-OD1 2.74Å; R65-D67 IonicContact CZ-OD2 2.72Å; R65-D67 IonicContact NE-OD1 2.82Å; R65-D67 PolarHBondContact NE-OD1 3.3Å; R65-D67 IonicContact NE-OD2 2.86Å; R65-D67 IonicContact NH2-OD1 3.44Å; R65-D67 IonicContact NH2-OD2 3.94Å; R65-D67 PolarHBondContact NH2-OD2 3.12Å; R65-V68 HydrophobicContact CB-CB 4.13Å; R65-V68 HydrophobicContact CB-CG1 3.85Å; R65-R109 PolarHBondContact O-NH1 3.38Å; R65-R109 PolarHBondContact O-NH2 2.78Å; R65-R109 VanDerWaalsContact O-NH2 3.16Å; R65-L427 HydrophobicContact CB-CD2 4.45Å; R65-L427 VanDerWaalsContact CD-CD2 3.46Å; R65-L427 HydrophobicContact CG-CD2 3.72Å; R65-D431 IonicContact CZ-OD1 3.86Å; R65-D431 IonicContact NH1-OD1 3.7Å; R65-D431 PolarHBondContact NH1-OD1 3.17Å
66	Q	94.1	Very high	97.8	Very high	144 Å²	144	40.2 Å²	40.2	67%	0.673	19%	0.191	S	C	*	.	S	Bend	trans	-86.2	-20	178.5	-64.7	-55.4	-43.3	0	0	113	R109	Q66-R109 VanDerWaalsContact O-CD 3.31Å; Q66-R109 WeakPolarHBondContact O-CD 3.43Å; Q66-R109 VanDerWaalsContact O-CZ 3.3Å; Q66-R109 PolarHBondContact O-NE 3.42Å
67	D	94.3	Very high	97.8	Very high	68 Å²	68	39.5 Å²	39.5	36%	0.364	19%	0.189	S	C	.	.	S	Bend	trans	-98	-3.8	-174.7	62.9	-37.3	0	0	0	113.9	C42 P43 R65	C42-D67 PolarHBondContact SG-O 3.06Å; P43-D67 WeakPolarHBondContact CD-O 3.09Å; R65-D67 WeakPolarHBondContact CB-OD1 3.23Å; R65-D67 IonicContact CZ-OD1 2.74Å; R65-D67 IonicContact CZ-OD2 2.72Å; R65-D67 IonicContact NE-OD1 2.82Å; R65-D67 PolarHBondContact NE-OD1 3.3Å; R65-D67 IonicContact NE-OD2 2.86Å; R65-D67 IonicContact NH2-OD1 3.44Å; R65-D67 IonicContact NH2-OD2 3.94Å; R65-D67 PolarHBondContact NH2-OD2 3.12Å
68	V	97.4	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.			trans	-85.2	137	-179.8	69.5	0	0	0	0	112.2	P43 V45 L61 R65 V70 R109	P43-V68 WeakPolarHBondContact O-CA 3.29Å; P43-V68 WeakPolarHBondContact O-CG2 3.37Å; V45-V68 HydrophobicContact CG2-CG2 3.88Å; L61-V68 HydrophobicContact CB-CG1 4.36Å; L61-V68 WeakPolarHBondContact O-CG1 3.22Å; R65-V68 HydrophobicContact CB-CB 4.13Å; R65-V68 HydrophobicContact CB-CG1 3.85Å; V68-V70 HydrophobicContact CG2-CG2 4.36Å; V68-R109 WeakPolarHBondContact O-CD 3.41Å; V68-R109 PolarHBondContact O-NH1 3.47Å
69	E	98.3	Very high	97.8	Very high	75 Å²	75	39.5 Å²	39.5	35%	0.35	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.7	169	-88	170	-168.4	0	0	109.9	C42 P43 K44 V45	C42-E69 WeakPolarHBondContact SG-CG 3.28Å; P43-E69 PolarHBondContact O-N 3.07Å; K44-E69 WeakPolarHBondContact CA-O 3.46Å; K44-E69 WeakPolarHBondContact CE-OE2 3.31Å; K44-E69 HydrophobicContact CG-CB 4.22Å; V45-E69 PolarHBondContact N-O 2.81Å
70	V	98.8	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.5	-176.3	-176.2	0	0	0	0	111.6	V45 I47 A58 L61 I62 V68 I72 R109 C110 S111	V45-V70 WeakPolarHBondContact O-CA 3.19Å; I47-V70 HydrophobicContact CD1-CG1 3.44Å; I47-V70 VanDerWaalsContact CD1-CG1 3.44Å; I47-V70 HydrophobicContact CG1-CG1 3.89Å; A58-V70 HydrophobicContact CB-CG1 3.87Å; L61-V70 HydrophobicContact CB-CG2 4.3Å; L61-V70 HydrophobicContact CD1-CG2 4.31Å; I62-V70 HydrophobicContact CD1-CB 4.31Å; I62-V70 HydrophobicContact CD1-CG2 4.2Å; I62-V70 HydrophobicContact CG1-CG2 3.9Å; V68-V70 HydrophobicContact CG2-CG2 4.36Å; V70-I72 HydrophobicContact CG1-CG1 4.32Å; V70-R109 PolarHBondContact N-O 2.7Å; V70-C110 CarbonylContact O-C 3.52Å; V70-C110 VanDerWaalsContact O-CA 3.24Å; V70-C110 WeakPolarHBondContact O-CA 3.49Å; V70-S111 PolarHBondContact O-N 2.82Å
71	D	98.9	Very high	97.8	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.8	175.2	-69.1	-28.7	0	0	0	110.6	V45 C46 I47 Y73 S111 Y113 Y131 S444	V45-D71 PolarHBondContact O-N 2.8Å; C46-D71 CarbonylContact C-O 3.55Å; C46-D71 WeakPolarHBondContact CA-O 3.05Å; I47-D71 PolarHBondContact N-O 2.86Å; D71-Y73 HydrophobicContact CB-CE2 3.84Å; D71-S111 WeakPolarHBondContact OD1-CB 3.42Å; D71-S111 PolarHBondContact OD1-OG 3.5Å; D71-Y113 HydrophobicContact CB-CD2 4.21Å; D71-Y113 HydrophobicContact CB-CE2 3.87Å; D71-Y131 HydrophobicContact CB-CE1 3.93Å; D71-Y131 VanDerWaalsContact CB-OH 3.3Å; D71-Y131 WeakPolarHBondContact CB-OH 3.42Å; D71-Y131 VanDerWaalsContact OD2-CE1 3.23Å; D71-Y131 WeakPolarHBondContact OD2-CE1 3.43Å; D71-Y131 VanDerWaalsContact OD2-CZ 3.31Å; D71-Y131 PolarHBondContact OD2-OH 2.77Å; D71-S444 WeakPolarHBondContact OD2-CB 3.39Å; D71-S444 PolarHBondContact OD2-N 2.68Å; D71-S444 PolarHBondContact OD2-OG 3.13Å
72	I	98.9	Very high	97.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.1	-179.9	-53.7	177.5	0	0	0	109.8	I47 F55 A58 V70 S111 F112 Y113	I47-I72 HydrophobicContact CB-CG1 4.28Å; I47-I72 CarbonylContact O-C 3.44Å; I47-I72 WeakPolarHBondContact O-CA 3.43Å; F55-I72 HydrophobicContact CD1-CD1 3.69Å; F55-I72 HydrophobicContact CE1-CD1 3.58Å; F55-I72 HydrophobicContact CG-CD1 4.45Å; F55-I72 HydrophobicContact CZ-CD1 4.3Å; A58-I72 HydrophobicContact CB-CD1 3.87Å; A58-I72 HydrophobicContact CB-CG1 4.45Å; V70-I72 HydrophobicContact CG1-CG1 4.32Å; I72-S111 PolarHBondContact N-O 2.72Å; I72-F112 HydrophobicContact CB-CD2 4.46Å; I72-F112 HydrophobicContact CG2-CD2 4.37Å; I72-F112 CarbonylContact O-C 3.46Å; I72-F112 WeakPolarHBondContact O-CA 3.37Å; I72-Y113 PolarHBondContact O-N 2.57Å
73	Y	98.9	Very high	97.8	Very high	2 Å²	2	39 Å²	39	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.2	175.6	-68.7	-94.7	0	0	0	111	C46 I47 G49 D71 Y113 V116 L127 Y131 V447	C46-Y73 WeakPolarHBondContact SG-CD2 3.11Å; I47-Y73 PolarHBondContact O-N 3.06Å; G49-Y73 WeakPolarHBondContact CA-O 3.2Å; G49-Y73 PolarHBondContact N-O 3.35Å; D71-Y73 HydrophobicContact CB-CE2 3.84Å; Y73-Y113 WeakPolarHBondContact CA-O 3.34Å; Y73-Y113 HydrophobicContact CD1-CD2 4.38Å; Y73-Y113 HydrophobicContact CD1-CG 4.28Å; Y73-Y113 AromaticContact CE1-CD2 3.94Å; Y73-Y113 HydrophobicContact CE1-CD2 3.94Å; Y73-Y113 AromaticContact CE1-CG 3.92Å; Y73-Y113 HydrophobicContact CE1-CG 3.92Å; Y73-Y113 HydrophobicContact CE2-CD2 4.15Å; Y73-Y113 AromaticContact CZ-CD2 3.81Å; Y73-V116 HydrophobicContact CD1-CB 4.07Å; Y73-V116 HydrophobicContact CD1-CG1 3.84Å; Y73-V116 HydrophobicContact CD1-CG2 4.37Å; Y73-V116 HydrophobicContact CE1-CG1 4.44Å; Y73-L127 HydrophobicContact CE2-CD2 4.43Å; Y73-Y131 HydrophobicContact CE2-CE2 4.24Å; Y73-Y131 WeakPolarHBondContact CE2-OH 3.28Å; Y73-Y131 PolarHBondContact OH-OH 2.76Å; Y73-V447 HydrophobicContact CE1-CG1 3.71Å; Y73-V447 WeakPolarHBondContact OH-CB 3.34Å; Y73-V447 WeakPolarHBondContact OH-CG1 3.27Å
74	E	98.8	Very high	97.8	Very high	25 Å²	25	31 Å²	31	12%	0.117	16%	0.158	C	C	.	.			trans	-141.6	137.2	179.6	173.9	55.6	-113.5	0	0	110.8	S50 L76 F112 Y113 G114 N115 V116	S50-E74 WeakPolarHBondContact CB-OE2 3.43Å; S50-E74 PolarHBondContact N-OE2 2.99Å; S50-E74 VanDerWaalsContact OG-CD 3.3Å; S50-E74 VanDerWaalsContact OG-CG 3.26Å; S50-E74 WeakPolarHBondContact OG-CG 3.39Å; S50-E74 PolarHBondContact OG-OE2 3.44Å; E74-L76 HydrophobicContact CG-CB 4.36Å; E74-L76 WeakPolarHBondContact CG-O 3.25Å; E74-L76 PolarHBondContact OE1-N 2.85Å; E74-L76 VanDerWaalsContact OE1-N 3.16Å; E74-F112 HydrophobicContact CB-CE2 3.57Å; E74-F112 HydrophobicContact CB-CZ 3.86Å; E74-F112 HydrophobicContact CG-CE2 4.26Å; E74-F112 HydrophobicContact CG-CZ 4.25Å; E74-Y113 PolarHBondContact N-O 2.72Å; E74-G114 CarbonylContact O-C 3.54Å; E74-G114 VanDerWaalsContact O-C 3.27Å; E74-G114 WeakPolarHBondContact O-CA 3.41Å; E74-N115 PolarHBondContact O-N 3.39Å; E74-V116 CarbonylContact C-O 3.5Å; E74-V116 PolarHBondContact O-N 2.88Å
75	R	98.2	Very high	97.9	Very high	99 Å²	99	28.6 Å²	28.6	37%	0.374	14%	0.137	S	C	.	.	S	Bend	trans	-70.1	-34.4	-178.7	-175.1	-178.4	72.1	-169	0.8	112.1	N115 V116 N117 E141	R75-N115 WeakPolarHBondContact O-CA 3.39Å; R75-V116 WeakPolarHBondContact CA-O 3.45Å; R75-V116 PolarHBondContact N-O 3.06Å; R75-N117 VanDerWaalsContact CD-CG 3.5Å; R75-N117 WeakPolarHBondContact CD-OD1 3.06Å; R75-N117 HydrophobicContact CG-CB 3.79Å; R75-N117 WeakPolarHBondContact CG-OD1 3.38Å; R75-E141 IonicContact CZ-OE1 2.7Å; R75-E141 IonicContact CZ-OE2 3.22Å; R75-E141 VanDerWaalsContact CZ-OE2 3.31Å; R75-E141 IonicContact NH1-OE1 3.66Å; R75-E141 IonicContact NH1-OE2 3.31Å; R75-E141 PolarHBondContact NH1-OE2 2.79Å; R75-E141 IonicContact NH2-OE1 2.91Å; R75-E141 PolarHBondContact NH2-OE1 3.06Å; R75-E141 IonicContact NH2-OE2 2.81Å; R75-E141 PolarHBondContact NH2-OE2 2.8Å; R75-E141 VanDerWaalsContact NH2-OE2 3.09Å
76	L	98.6	Very high	98.1	Very high	23 Å²	23	27 Å²	27	12%	0.12	14%	0.136	C	C	.	.	S	Bend	trans	-84.6	155.6	176.4	-64.4	176.7	0	0	0	111.8	E74 V78 F85 G114 N115 L169 V488	E74-L76 HydrophobicContact CG-CB 4.36Å; E74-L76 WeakPolarHBondContact CG-O 3.25Å; E74-L76 PolarHBondContact OE1-N 2.85Å; E74-L76 VanDerWaalsContact OE1-N 3.16Å; L76-V78 HydrophobicContact CB-CG2 4.4Å; L76-V78 PolarHBondContact O-N 2.88Å; L76-V78 VanDerWaalsContact O-N 3.1Å; L76-F85 HydrophobicContact CD1-CD2 4.2Å; L76-F85 HydrophobicContact CD1-CE2 3.43Å; L76-F85 VanDerWaalsContact CD1-CE2 3.43Å; L76-F85 HydrophobicContact CD1-CZ 3.86Å; L76-G114 CarbonylContact O-C 3.44Å; L76-G114 WeakPolarHBondContact O-CA 3.42Å; L76-N115 PolarHBondContact O-N 2.81Å; L76-L169 HydrophobicContact CD1-CD1 4.06Å; L76-V488 HydrophobicContact CD2-CG2 4.39Å
77	P	98.6	Very high	98.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.109	C	C	.	.	S	Bend	trans	-61.6	-11.1	169.1	-26	36.2	0	0	0	114.8	N115 V459 I467 V488 M491 L492	P77-N115 HydrophobicContact CG-CB 4.35Å; P77-V459 HydrophobicContact CB-CG2 4.15Å; P77-V459 WeakPolarHBondContact O-CG1 3.16Å; P77-I467 HydrophobicContact CB-CD1 4.25Å; P77-V488 HydrophobicContact CG-CG1 3.85Å; P77-M491 HydrophobicContact CB-CB 3.87Å; P77-M491 HydrophobicContact CB-SD 4.19Å; P77-M491 HydrophobicContact CG-CB 3.96Å; P77-M491 HydrophobicContact CG-SD 4.08Å; P77-L492 HydrophobicContact CB-CD2 4.49Å; P77-L492 HydrophobicContact CG-CD2 4.12Å; P77-L492 HydrophobicContact CG-CG 4.17Å
78	V	98.7	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-128.5	138	-168.5	-50.3	0	0	0	0	110.6	L76 F85 W464 I467 M491	L76-V78 HydrophobicContact CB-CG2 4.4Å; L76-V78 PolarHBondContact O-N 2.88Å; L76-V78 VanDerWaalsContact O-N 3.1Å; V78-F85 HydrophobicContact CG2-CE2 3.84Å; V78-F85 HydrophobicContact CG2-CZ 3.47Å; V78-F85 VanDerWaalsContact CG2-CZ 3.47Å; V78-W464 HydrophobicContact CB-CE3 3.6Å; V78-W464 HydrophobicContact CB-CH2 4.33Å; V78-W464 HydrophobicContact CB-CZ3 3.49Å; V78-W464 VanDerWaalsContact CB-CZ3 3.49Å; V78-W464 HydrophobicContact CG1-CE3 3.51Å; V78-W464 HydrophobicContact CG1-CZ3 3.4Å; V78-I467 HydrophobicContact CG1-CD1 4.01Å; V78-I467 HydrophobicContact CG1-CG2 4.21Å; V78-M491 HydrophobicContact CG1-CE 4.27Å; V78-M491 HydrophobicContact CG1-CG 4.21Å; V78-M491 HydrophobicContact CG1-SD 3.69Å
79	P	98.8	Very high	98.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.			trans	-84.8	-170.9	-174.2	33	-34.4	0	0	0	114.1	S50 F55 G81 F112 F461 W464	S50-P79 VanDerWaalsContact OG-CA 3.22Å; S50-P79 WeakPolarHBondContact OG-CA 3.37Å; F55-P79 HydrophobicContact CE2-CB 4.11Å; F55-P79 HydrophobicContact CZ-CB 4.23Å; P79-G81 VanDerWaalsContact C-N 3.3Å; P79-G81 PolarHBondContact O-N 3.25Å; P79-F112 HydrophobicContact CB-CE2 3.79Å; P79-F112 HydrophobicContact CB-CZ 3.86Å; P79-F112 HydrophobicContact CG-CZ 4.38Å; P79-F461 HydrophobicContact CG-CE2 4.17Å; P79-W464 HydrophobicContact CG-CD2 3.96Å; P79-W464 HydrophobicContact CG-CG 3.93Å; P79-W464 HydrophobicContact CG-CZ2 4.49Å
80	F	98.7	Very high	98.5	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.018	8%	0.084	C	C	.	.			trans	78.6	-7.2	169.1	-41.6	-50.6	0	0	0	116.4	S50 F55 L82 V83 R84 I98 F101 F461 W464	S50-F80 CarbonylContact O-C 3.52Å; S50-F80 WeakPolarHBondContact O-CA 3.49Å; S50-F80 PolarHBondContact O-N 2.88Å; S50-F80 PolarHBondContact OG-N 3.17Å; F55-F80 HydrophobicContact CD2-CD1 4.09Å; F55-F80 AromaticContact CE2-CD1 3.52Å; F55-F80 HydrophobicContact CE2-CD1 3.52Å; F55-F80 AromaticContact CE2-CE1 3.78Å; F55-F80 HydrophobicContact CE2-CE1 3.78Å; F55-F80 HydrophobicContact CZ-CD1 4.17Å; F55-F80 AromaticContact CZ-CE1 3.95Å; F55-F80 HydrophobicContact CZ-CE1 3.95Å; F80-L82 PolarHBondContact O-N 3.25Å; F80-V83 HydrophobicContact CB-CB 4.37Å; F80-V83 PolarHBondContact O-N 2.84Å; F80-R84 HydrophobicContact CB-CB 4.42Å; F80-I98 HydrophobicContact CB-CD1 4.36Å; F80-I98 HydrophobicContact CB-CG1 4.14Å; F80-I98 HydrophobicContact CD1-CG1 4.32Å; F80-I98 HydrophobicContact CD2-CB 4.48Å; F80-I98 HydrophobicContact CD2-CD1 3.87Å; F80-I98 HydrophobicContact CD2-CG1 3.82Å; F80-I98 HydrophobicContact CD2-CG2 3.93Å; F80-I98 HydrophobicContact CE1-CG2 4.3Å; F80-I98 HydrophobicContact CE2-CB 4.47Å; F80-I98 HydrophobicContact CE2-CD1 4.49Å; F80-I98 HydrophobicContact CE2-CG1 4.3Å; F80-I98 HydrophobicContact CE2-CG2 3.51Å; F80-I98 HydrophobicContact CG-CD1 4.25Å; F80-I98 HydrophobicContact CG-CG1 3.84Å; F80-I98 HydrophobicContact CG-CG2 4.49Å; F80-I98 HydrophobicContact CZ-CG2 3.73Å; F80-F101 HydrophobicContact CD1-CB 3.88Å; F80-F101 AromaticContact CD1-CD2 3.93Å; F80-F101 HydrophobicContact CD1-CD2 3.93Å; F80-F101 HydrophobicContact CD1-CG 4.42Å; F80-F101 HydrophobicContact CE1-CB 3.65Å; F80-F461 HydrophobicContact CZ-CE2 4.25Å; F80-F461 HydrophobicContact CZ-CZ 4.33Å; F80-W464 HydrophobicContact CD2-CZ2 4.47Å; F80-W464 AromaticContact CE2-CZ2 3.91Å; F80-W464 HydrophobicContact CE2-CZ2 3.91Å; F80-W464 AromaticContact CE2-NE1 3.89Å
81	G	98.3	Very high	98.4	Very high	18 Å²	18	16.4 Å²	16.4	19%	0.186	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-124.9	171.8	0	0	0	0	0	113.2	P79 V83 R84 F85	P79-G81 VanDerWaalsContact C-N 3.3Å; P79-G81 PolarHBondContact O-N 3.25Å; G81-V83 PolarHBondContact O-N 3.48Å; G81-V83 VanDerWaalsContact O-N 3.14Å; G81-R84 PolarHBondContact O-N 2.89Å; G81-F85 WeakPolarHBondContact O-CD2 3.47Å; G81-F85 PolarHBondContact O-N 2.81Å
82	L	98	Very high	98.4	Very high	71 Å²	71	19.5 Å²	19.5	37%	0.372	11%	0.106	S	C	.	.	H	α-helix	trans	-66.4	-10.5	-177.7	-66.9	179.5	0	0	0	115.3	F80 R84 G86 V87 W403	F80-L82 PolarHBondContact O-N 3.25Å; L82-R84 VanDerWaalsContact C-N 3.33Å; L82-G86 CarbonylContact O-C 3.49Å; L82-G86 WeakPolarHBondContact O-CA 3.2Å; L82-G86 PolarHBondContact O-N 2.99Å; L82-V87 PolarHBondContact O-N 3.45Å; L82-W403 HydrophobicContact CD1-CE3 3.86Å; L82-W403 HydrophobicContact CD1-CH2 3.82Å; L82-W403 HydrophobicContact CD1-CZ3 3.34Å
83	V	98.5	Very high	98.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-70.6	-37	169.5	-169.8	0	0	0	0	110.6	P52 F80 G81 K95 V97 I98 F101 I412	P52-V83 HydrophobicContact CG-CG2 3.44Å; P52-V83 VanDerWaalsContact CG-CG2 3.44Å; F80-V83 HydrophobicContact CB-CB 4.37Å; F80-V83 PolarHBondContact O-N 2.84Å; G81-V83 PolarHBondContact O-N 3.48Å; G81-V83 VanDerWaalsContact O-N 3.14Å; V83-K95 HydrophobicContact CG1-CB 4.17Å; V83-K95 HydrophobicContact CG1-CG 4.33Å; V83-K95 PolarHBondContact O-NZ 2.71Å; V83-K95 VanDerWaalsContact O-NZ 3.14Å; V83-V97 HydrophobicContact CG1-CG2 3.81Å; V83-V97 HydrophobicContact CG2-CG2 4.01Å; V83-I98 HydrophobicContact CB-CG1 4.44Å; V83-I98 HydrophobicContact CG1-CD1 3.93Å; V83-I98 HydrophobicContact CG1-CG1 3.85Å; V83-F101 HydrophobicContact CG2-CE2 4.15Å; V83-I412 HydrophobicContact CG2-CD1 4.02Å
84	R	98.6	Very high	98.1	Very high	8 Å²	8	25.7 Å²	25.7	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-80.2	-47.5	174.8	-179.6	177.6	166.5	86.9	4.6	111.8	F80 G81 L82 K95 E471	F80-R84 HydrophobicContact CB-CB 4.42Å; G81-R84 PolarHBondContact O-N 2.89Å; L82-R84 VanDerWaalsContact C-N 3.33Å; R84-K95 PolarHBondContact O-NZ 3.04Å; R84-E471 IonicContact CZ-OE1 3.72Å; R84-E471 IonicContact CZ-OE2 3.5Å; R84-E471 IonicContact NH1-OE1 3.86Å; R84-E471 IonicContact NH1-OE2 3.57Å; R84-E471 PolarHBondContact NH1-OE2 3.07Å; R84-E471 IonicContact NH2-OE1 3.61Å; R84-E471 PolarHBondContact NH2-OE1 3.12Å; R84-E471 IonicContact NH2-OE2 3.55Å; R84-E471 PolarHBondContact NH2-OE2 3.38Å
85	F	98.4	Very high	98.1	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.035	14%	0.137	C	C	.	.	H	α-helix	trans	-101.2	-12.8	-168	-60.8	-61.4	0	0	0	116	L76 V78 G81 N167 G168 L169	L76-F85 HydrophobicContact CD1-CD2 4.2Å; L76-F85 HydrophobicContact CD1-CE2 3.43Å; L76-F85 VanDerWaalsContact CD1-CE2 3.43Å; L76-F85 HydrophobicContact CD1-CZ 3.86Å; V78-F85 HydrophobicContact CG2-CE2 3.84Å; V78-F85 HydrophobicContact CG2-CZ 3.47Å; V78-F85 VanDerWaalsContact CG2-CZ 3.47Å; G81-F85 WeakPolarHBondContact O-CD2 3.47Å; G81-F85 PolarHBondContact O-N 2.81Å; F85-N167 VanDerWaalsContact C-ND2 3.34Å; F85-N167 VanDerWaalsContact O-CB 3.32Å; F85-N167 WeakPolarHBondContact O-CB 3.43Å; F85-N167 PolarHBondContact O-ND2 3.16Å; F85-G168 WeakPolarHBondContact CE1-O 3.34Å; F85-L169 HydrophobicContact CB-CB 4.4Å; F85-L169 HydrophobicContact CB-CD1 4.19Å; F85-L169 HydrophobicContact CD1-CB 3.92Å; F85-L169 HydrophobicContact CD1-CD1 4.01Å; F85-L169 HydrophobicContact CD2-CD1 3.97Å; F85-L169 HydrophobicContact CE1-CD1 4.33Å; F85-L169 HydrophobicContact CE2-CD1 4.3Å; F85-L169 HydrophobicContact CG-CB 4.31Å; F85-L169 HydrophobicContact CG-CD1 3.8Å; F85-L169 HydrophobicContact CZ-CD1 4.44Å
86	G	97.5	Very high	98.1	Very high	16 Å²	16	25.1 Å²	25.1	17%	0.165	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-56.1	-175.9	0	0	0	0	0	113.4	L82 A88 V163 N167	L82-G86 CarbonylContact O-C 3.49Å; L82-G86 WeakPolarHBondContact O-CA 3.2Å; L82-G86 PolarHBondContact O-N 2.99Å; G86-A88 PolarHBondContact O-N 2.89Å; G86-V163 VanDerWaalsContact O-CG1 3.29Å; G86-V163 WeakPolarHBondContact O-CG1 3.4Å; G86-N167 PolarHBondContact O-ND2 2.8Å
87	V	98.4	Very high	98	Very high	20 Å²	20	25.5 Å²	25.5	12%	0.121	15%	0.146	C	C	.	.	S	Bend	trans	-51.6	127.1	176.8	173.9	0	0	0	0	109.4	L82 H91 V94 K95 N167 I412	L82-V87 PolarHBondContact O-N 3.45Å; V87-H91 HydrophobicContact CG1-CB 3.94Å; V87-V94 HydrophobicContact CG1-CB 3.76Å; V87-V94 HydrophobicContact CG1-CG1 3.81Å; V87-V94 HydrophobicContact CG2-CG1 3.81Å; V87-K95 HydrophobicContact CB-CG 4.28Å; V87-K95 HydrophobicContact CG1-CG 3.77Å; V87-K95 PolarHBondContact O-NZ 3.42Å; V87-N167 PolarHBondContact O-ND2 2.82Å; V87-N167 PolarHBondContact O-OD1 2.7Å; V87-I412 HydrophobicContact CG2-CD1 4.14Å
88	A	98.4	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.			trans	-59.1	148.4	-176.1	0	0	0	0	0	111.8	G86 D90 H91 K95 D195	G86-A88 PolarHBondContact O-N 2.89Å; A88-D90 VanDerWaalsContact CB-OD1 3.22Å; A88-D90 WeakPolarHBondContact CB-OD1 3.48Å; A88-D90 PolarHBondContact O-N 3.2Å; A88-H91 PolarHBondContact O-N 2.85Å; A88-K95 WeakPolarHBondContact O-CE 3.49Å; A88-D195 HydrophobicContact CB-CB 4.2Å
89	P	98.3	Very high	98	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-23.1	-176	29.9	-38.4	0	0	0	112.8	H91 Y166 I199 T210 D211 I212	P89-H91 VanDerWaalsContact C-N 3.29Å; P89-Y166 VanDerWaalsContact CD-CE2 3.45Å; P89-Y166 HydrophobicContact CG-CD2 4.18Å; P89-Y166 HydrophobicContact CG-CE2 4.32Å; P89-I199 HydrophobicContact CG-CD1 3.78Å; P89-T210 WeakPolarHBondContact O-CB 3.23Å; P89-D211 WeakPolarHBondContact CA-OD1 3.01Å; P89-D211 WeakPolarHBondContact CB-OD1 3.38Å; P89-I212 HydrophobicContact CB-CB 3.92Å; P89-I212 HydrophobicContact CG-CB 3.79Å; P89-I212 HydrophobicContact CG-CD1 4.37Å; P89-I212 HydrophobicContact CG-CG1 4.11Å
90	D	97.8	Very high	98	Very high	31 Å²	31	34.2 Å²	34.2	17%	0.166	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	7.9	172	67	-15.3	0	0	0	114.2	A88 P92 R198 T210	A88-D90 VanDerWaalsContact CB-OD1 3.22Å; A88-D90 WeakPolarHBondContact CB-OD1 3.48Å; A88-D90 PolarHBondContact O-N 3.2Å; D90-P92 VanDerWaalsContact O-CD 3.31Å; D90-P92 WeakPolarHBondContact O-CD 3.36Å; D90-R198 IonicContact OD1-CZ 3.69Å; D90-R198 IonicContact OD1-NE 3.76Å; D90-R198 PolarHBondContact OD1-NE 2.94Å; D90-R198 IonicContact OD1-NH2 3.77Å; D90-R198 PolarHBondContact OD1-NH2 3.32Å; D90-R198 WeakPolarHBondContact OD2-CD 3.44Å; D90-R198 IonicContact OD2-CZ 3.22Å; D90-R198 IonicContact OD2-NE 2.83Å; D90-R198 PolarHBondContact OD2-NE 3.17Å; D90-R198 IonicContact OD2-NH2 2.72Å; D90-T210 HydrophobicContact CB-CG2 4.26Å
91	H	98	Very high	98	Very high	11 Å²	11	34 Å²	34	5%	0.051	19%	0.193	C	C	.	.			trans	-113	54.2	166.3	-68	165.9	0	0	0	112.5	V87 A88 P89 E93 V94 D195 R198 K244 E248	V87-H91 HydrophobicContact CG1-CB 3.94Å; A88-H91 PolarHBondContact O-N 2.85Å; P89-H91 VanDerWaalsContact C-N 3.29Å; H91-E93 VanDerWaalsContact CA-OE2 3.31Å; H91-E93 WeakPolarHBondContact CA-OE2 3.44Å; H91-E93 PolarHBondContact O-N 2.81Å; H91-V94 HydrophobicContact CB-CB 4.29Å; H91-V94 HydrophobicContact CB-CG2 4.06Å; H91-V94 PolarHBondContact O-N 3.17Å; H91-V94 VanDerWaalsContact O-N 3.14Å; H91-D195 IonicContact CE1-OD1 2.75Å; H91-D195 PolarHBondContact CE1-OD1 2.96Å; H91-D195 IonicContact ND1-OD1 2.73Å; H91-R198 PolarHBondContact CE1-NH2 2.69Å; H91-R198 PolarHBondContact NE2-NH2 3.3Å; H91-K244 PolarHBondContact CD2-NZ 3.22Å; H91-K244 PolarHBondContact NE2-NZ 3.16Å; H91-E248 IonicContact CD2-OE2 2.68Å; H91-E248 IonicContact CE1-OE2 3.47Å; H91-E248 IonicContact NE2-OE1 3.74Å; H91-E248 IonicContact NE2-OE2 3.19Å; H91-E248 PolarHBondContact NE2-OE2 2.89Å
92	P	97.1	Very high	98	Very high	69 Å²	69	34.7 Å²	34.7	45%	0.448	19%	0.194	S	C	.	.	H	α-helix	trans	-61.4	-27.9	-179	28.8	-36.2	0	0	0	112.3	D90 V94 K95 N96	D90-P92 VanDerWaalsContact O-CD 3.31Å; D90-P92 WeakPolarHBondContact O-CD 3.36Å; P92-V94 VanDerWaalsContact C-N 3.26Å; P92-V94 PolarHBondContact O-N 3.42Å; P92-K95 WeakPolarHBondContact O-CB 3.41Å; P92-K95 PolarHBondContact O-N 2.66Å; P92-N96 PolarHBondContact O-N 2.7Å
93	E	97.2	Very high	98	Very high	86 Å²	86	38.1 Å²	38.1	40%	0.402	21%	0.208	S	C	.	.	H	α-helix	trans	-67	-27.3	179.1	80.9	-66.4	169.4	0	0	113.2	H91 K95 N96 K244	H91-E93 VanDerWaalsContact CA-OE2 3.31Å; H91-E93 WeakPolarHBondContact CA-OE2 3.44Å; H91-E93 PolarHBondContact O-N 2.81Å; E93-K95 VanDerWaalsContact C-N 3.35Å; E93-N96 WeakPolarHBondContact CA-ND2 3.38Å; E93-N96 WeakPolarHBondContact O-CB 3.38Å; E93-N96 PolarHBondContact O-ND2 3.41Å; E93-K244 WeakPolarHBondContact OE1-CE 3.12Å; E93-K244 IonicContact OE1-NZ 2.89Å; E93-K244 PolarHBondContact OE1-NZ 2.88Å
94	V	96.1	Very high	98	Very high	47 Å²	47	38.6 Å²	38.6	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-75.1	-29.1	173.2	179.3	0	0	0	0	110.6	V87 H91 P92 N96 I412	V87-V94 HydrophobicContact CG1-CB 3.76Å; V87-V94 HydrophobicContact CG1-CG1 3.81Å; V87-V94 HydrophobicContact CG2-CG1 3.81Å; H91-V94 HydrophobicContact CB-CB 4.29Å; H91-V94 HydrophobicContact CB-CG2 4.06Å; H91-V94 PolarHBondContact O-N 3.17Å; H91-V94 VanDerWaalsContact O-N 3.14Å; P92-V94 VanDerWaalsContact C-N 3.26Å; P92-V94 PolarHBondContact O-N 3.42Å; V94-N96 VanDerWaalsContact C-N 3.25Å; V94-N96 PolarHBondContact O-N 3.33Å; V94-I412 HydrophobicContact CG1-CD1 3.67Å
95	K	98.1	Very high	98	Very high	19 Å²	19	38.5 Å²	38.5	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-71.5	-16.1	176.4	-56.6	179.7	-174.1	-87.9	0	113.2	V83 R84 V87 A88 P92 E93 V97 I98 D211	V83-K95 HydrophobicContact CG1-CB 4.17Å; V83-K95 HydrophobicContact CG1-CG 4.33Å; V83-K95 PolarHBondContact O-NZ 2.71Å; V83-K95 VanDerWaalsContact O-NZ 3.14Å; R84-K95 PolarHBondContact O-NZ 3.04Å; V87-K95 HydrophobicContact CB-CG 4.28Å; V87-K95 HydrophobicContact CG1-CG 3.77Å; V87-K95 PolarHBondContact O-NZ 3.42Å; A88-K95 WeakPolarHBondContact O-CE 3.49Å; P92-K95 WeakPolarHBondContact O-CB 3.41Å; P92-K95 PolarHBondContact O-N 2.66Å; E93-K95 VanDerWaalsContact C-N 3.35Å; K95-V97 PolarHBondContact O-N 3.06Å; K95-I98 HydrophobicContact CB-CD1 4.39Å; K95-I98 VanDerWaalsContact O-CB 3.28Å; K95-I98 WeakPolarHBondContact O-CB 3.46Å; K95-I98 VanDerWaalsContact O-CG1 3.3Å; K95-I98 WeakPolarHBondContact O-CG1 3.26Å; K95-I98 PolarHBondContact O-N 2.87Å; K95-D211 WeakPolarHBondContact CE-OD1 3.5Å; K95-D211 IonicContact NZ-OD1 2.63Å; K95-D211 IonicContact NZ-OD2 3.95Å; K95-D211 PolarHBondContact NZ-OD2 2.87Å
96	N	97.8	Very high	97.9	Very high	94 Å²	94	43.8 Å²	43.8	50%	0.503	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.9	179.6	-77	-31.8	0	0	0	115.3	P92 E93 V94 I98 N99	P92-N96 PolarHBondContact O-N 2.7Å; E93-N96 WeakPolarHBondContact CA-ND2 3.38Å; E93-N96 WeakPolarHBondContact O-CB 3.38Å; E93-N96 PolarHBondContact O-ND2 3.41Å; V94-N96 VanDerWaalsContact C-N 3.25Å; V94-N96 PolarHBondContact O-N 3.33Å; N96-I98 PolarHBondContact O-N 2.85Å; N96-N99 WeakPolarHBondContact O-CB 3.29Å; N96-N99 PolarHBondContact O-N 3.43Å; N96-N99 VanDerWaalsContact O-N 3.09Å; N96-N99 PolarHBondContact O-ND2 3.26Å
97	V	97.6	Very high	98	Very high	31 Å²	31	46.2 Å²	46.2	19%	0.188	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-21.9	173.4	-60.3	0	0	0	0	112.9	V83 K95 N99 T100 F101 I412	V83-V97 HydrophobicContact CG1-CG2 3.81Å; V83-V97 HydrophobicContact CG2-CG2 4.01Å; K95-V97 PolarHBondContact O-N 3.06Å; V97-N99 PolarHBondContact O-N 3.26Å; V97-T100 WeakPolarHBondContact O-CB 3.5Å; V97-T100 PolarHBondContact O-N 3.01Å; V97-T100 VanDerWaalsContact O-N 3.07Å; V97-F101 HydrophobicContact CB-CE2 4.22Å; V97-F101 HydrophobicContact CB-CZ 4.14Å; V97-F101 HydrophobicContact CG2-CD2 4.42Å; V97-F101 HydrophobicContact CG2-CE2 3.73Å; V97-F101 HydrophobicContact CG2-CZ 4.02Å; V97-F101 WeakPolarHBondContact O-CG 3.47Å; V97-F101 PolarHBondContact O-N 3.43Å; V97-F101 VanDerWaalsContact O-N 3.08Å; V97-I412 HydrophobicContact CG1-CG2 4.38Å; V97-I412 HydrophobicContact CG2-CD1 4.33Å; V97-I412 HydrophobicContact CG2-CG2 4.48Å
98	I	98.3	Very high	97.9	Very high	35 Å²	35	51 Å²	51	18%	0.179	28%	0.276	C	S	.	.	H	α-helix	trans	-53.5	-37.2	171.7	-72.8	172.8	0	0	0	111.3	F80 V83 K95 N96 T100 F101 T102	F80-I98 HydrophobicContact CB-CD1 4.36Å; F80-I98 HydrophobicContact CB-CG1 4.14Å; F80-I98 HydrophobicContact CD1-CG1 4.32Å; F80-I98 HydrophobicContact CD2-CB 4.48Å; F80-I98 HydrophobicContact CD2-CD1 3.87Å; F80-I98 HydrophobicContact CD2-CG1 3.82Å; F80-I98 HydrophobicContact CD2-CG2 3.93Å; F80-I98 HydrophobicContact CE1-CG2 4.3Å; F80-I98 HydrophobicContact CE2-CB 4.47Å; F80-I98 HydrophobicContact CE2-CD1 4.49Å; F80-I98 HydrophobicContact CE2-CG1 4.3Å; F80-I98 HydrophobicContact CE2-CG2 3.51Å; F80-I98 HydrophobicContact CG-CD1 4.25Å; F80-I98 HydrophobicContact CG-CG1 3.84Å; F80-I98 HydrophobicContact CG-CG2 4.49Å; F80-I98 HydrophobicContact CZ-CG2 3.73Å; V83-I98 HydrophobicContact CB-CG1 4.44Å; V83-I98 HydrophobicContact CG1-CD1 3.93Å; V83-I98 HydrophobicContact CG1-CG1 3.85Å; K95-I98 HydrophobicContact CB-CD1 4.39Å; K95-I98 VanDerWaalsContact O-CB 3.28Å; K95-I98 WeakPolarHBondContact O-CB 3.46Å; K95-I98 VanDerWaalsContact O-CG1 3.3Å; K95-I98 WeakPolarHBondContact O-CG1 3.26Å; K95-I98 PolarHBondContact O-N 2.87Å; N96-I98 PolarHBondContact O-N 2.85Å; I98-T100 VanDerWaalsContact C-N 3.29Å; I98-T100 PolarHBondContact O-N 2.91Å; I98-F101 PolarHBondContact O-N 3.07Å; I98-F101 VanDerWaalsContact O-N 3.14Å; I98-T102 WeakPolarHBondContact O-CB 3.31Å; I98-T102 PolarHBondContact O-N 2.98Å; I98-T102 PolarHBondContact O-OG1 2.98Å
99	N	98.1	Very high	97.9	Very high	99 Å²	99	52.5 Å²	52.5	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-41.1	178.6	-63.2	-37.9	0	0	0	111.9	N96 V97 Q103	N96-N99 WeakPolarHBondContact O-CB 3.29Å; N96-N99 PolarHBondContact O-N 3.43Å; N96-N99 VanDerWaalsContact O-N 3.09Å; N96-N99 PolarHBondContact O-ND2 3.26Å; V97-N99 PolarHBondContact O-N 3.26Å; N99-Q103 WeakPolarHBondContact O-CG 3.3Å; N99-Q103 PolarHBondContact O-N 2.88Å; N99-Q103 VanDerWaalsContact O-N 3.1Å
100	T	97.8	Very high	97.9	Very high	49 Å²	49	53.1 Å²	53.1	30%	0.301	29%	0.286	S	S	.	.	H	α-helix	trans	-72.1	-35.8	177	-59.6	0	0	0	0	112.1	V97 I98 Q103 T104	V97-T100 WeakPolarHBondContact O-CB 3.5Å; V97-T100 PolarHBondContact O-N 3.01Å; V97-T100 VanDerWaalsContact O-N 3.07Å; I98-T100 VanDerWaalsContact C-N 3.29Å; I98-T100 PolarHBondContact O-N 2.91Å; T100-Q103 PolarHBondContact O-N 3.36Å; T100-T104 PolarHBondContact O-N 3.42Å; T100-T104 VanDerWaalsContact O-N 3.1Å; T100-T104 PolarHBondContact O-OG1 2.62Å
101	F	98.6	Very high	98	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.8	-40.4	174.8	-59.9	-19.6	0	0	0	111.8	P52 F55 Y56 F80 V83 V97 I98 Q103 T104 A105	P52-F101 HydrophobicContact CB-CE2 4.27Å; P52-F101 HydrophobicContact CB-CZ 3.94Å; P52-F101 HydrophobicContact CG-CE2 4.23Å; P52-F101 HydrophobicContact CG-CZ 4.36Å; F55-F101 HydrophobicContact CB-CB 4.11Å; F55-F101 HydrophobicContact CB-CD1 3.35Å; F55-F101 HydrophobicContact CB-CD2 4.22Å; F55-F101 HydrophobicContact CB-CE1 3.71Å; F55-F101 HydrophobicContact CB-CG 3.64Å; F55-F101 HydrophobicContact CB-CZ 4.3Å; F55-F101 HydrophobicContact CD1-CB 3.93Å; F55-F101 HydrophobicContact CD1-CG 4.4Å; F55-F101 HydrophobicContact CD2-CB 3.82Å; F55-F101 HydrophobicContact CD2-CD1 4.45Å; F55-F101 AromaticContact CD2-CD2 3.94Å; F55-F101 HydrophobicContact CD2-CD2 3.94Å; F55-F101 AromaticContact CD2-CG 3.84Å; F55-F101 HydrophobicContact CD2-CG 3.84Å; F55-F101 HydrophobicContact CE1-CB 4.3Å; F55-F101 HydrophobicContact CE2-CB 4.19Å; F55-F101 HydrophobicContact CG-CB 3.68Å; F55-F101 AromaticContact CG-CD1 3.94Å; F55-F101 HydrophobicContact CG-CD1 3.94Å; F55-F101 HydrophobicContact CG-CD2 4.26Å; F55-F101 AromaticContact CG-CG 3.71Å; F55-F101 HydrophobicContact CG-CG 3.71Å; F55-F101 HydrophobicContact CZ-CB 4.42Å; Y56-F101 AromaticContact CD1-CE1 3.97Å; Y56-F101 HydrophobicContact CD1-CE1 3.97Å; Y56-F101 HydrophobicContact CD2-CE1 4.06Å; Y56-F101 HydrophobicContact CD2-CZ 4.08Å; Y56-F101 AromaticContact CE1-CE1 3.71Å; Y56-F101 HydrophobicContact CE1-CE1 3.71Å; Y56-F101 HydrophobicContact CE1-CZ 4.34Å; Y56-F101 AromaticContact CE2-CE1 3.8Å; Y56-F101 HydrophobicContact CE2-CE1 3.8Å; Y56-F101 AromaticContact CE2-CZ 3.63Å; Y56-F101 HydrophobicContact CE2-CZ 3.63Å; Y56-F101 HydrophobicContact CG-CE1 4.14Å; Y56-F101 AromaticContact CZ-CE1 3.62Å; Y56-F101 AromaticContact CZ-CZ 3.78Å; F80-F101 HydrophobicContact CD1-CB 3.88Å; F80-F101 AromaticContact CD1-CD2 3.93Å; F80-F101 HydrophobicContact CD1-CD2 3.93Å; F80-F101 HydrophobicContact CD1-CG 4.42Å; F80-F101 HydrophobicContact CE1-CB 3.65Å; V83-F101 HydrophobicContact CG2-CE2 4.15Å; V97-F101 HydrophobicContact CB-CE2 4.22Å; V97-F101 HydrophobicContact CB-CZ 4.14Å; V97-F101 HydrophobicContact CG2-CD2 4.42Å; V97-F101 HydrophobicContact CG2-CE2 3.73Å; V97-F101 HydrophobicContact CG2-CZ 4.02Å; V97-F101 WeakPolarHBondContact O-CG 3.47Å; V97-F101 PolarHBondContact O-N 3.43Å; V97-F101 VanDerWaalsContact O-N 3.08Å; I98-F101 PolarHBondContact O-N 3.07Å; I98-F101 VanDerWaalsContact O-N 3.14Å; F101-Q103 PolarHBondContact O-N 3.2Å; F101-T104 WeakPolarHBondContact O-CA 3.1Å; F101-T104 WeakPolarHBondContact O-CB 3.23Å; F101-T104 PolarHBondContact O-N 3.13Å; F101-T104 VanDerWaalsContact O-N 3.09Å; F101-A105 WeakPolarHBondContact O-CB 3.21Å; F101-A105 PolarHBondContact O-N 3.45Å
102	T	98.6	Very high	98	Very high	33 Å²	33	53.4 Å²	53.4	20%	0.202	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-42.1	172.4	-63.4	0	0	0	0	111.8	I98 T104 A105 K106 F461	I98-T102 WeakPolarHBondContact O-CB 3.31Å; I98-T102 PolarHBondContact O-N 2.98Å; I98-T102 PolarHBondContact O-OG1 2.98Å; T102-T104 VanDerWaalsContact C-N 3.29Å; T102-T104 PolarHBondContact O-N 3.36Å; T102-A105 PolarHBondContact O-N 3.1Å; T102-K106 HydrophobicContact CG2-CD 4.27Å; T102-K106 WeakPolarHBondContact O-CB 3.49Å; T102-K106 WeakPolarHBondContact O-CG 3.35Å; T102-K106 PolarHBondContact O-N 2.91Å; T102-F461 HydrophobicContact CG2-CE1 4.04Å; T102-F461 HydrophobicContact CG2-CZ 4.01Å
103	Q	98.3	Very high	98.1	Very high	142 Å²	142	51.8 Å²	51.8	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-61.3	-37.4	172.4	-73.5	171.5	-2.8	0	0	112.5	N99 T100 F101 H107	N99-Q103 WeakPolarHBondContact O-CG 3.3Å; N99-Q103 PolarHBondContact O-N 2.88Å; N99-Q103 VanDerWaalsContact O-N 3.1Å; T100-Q103 PolarHBondContact O-N 3.36Å; F101-Q103 PolarHBondContact O-N 3.2Å; Q103-H107 PolarHBondContact O-N 2.91Å
104	T	98.4	Very high	98.2	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-44.8	176.9	-54.4	0	0	0	0	111.1	F55 A58 Q59 I62 T100 F101 T102 K106 H107 C110	F55-T104 HydrophobicContact CD1-CG2 4.44Å; A58-T104 HydrophobicContact CB-CG2 4Å; Q59-T104 HydrophobicContact CB-CG2 4.09Å; I62-T104 HydrophobicContact CD1-CG2 4.32Å; T100-T104 PolarHBondContact O-N 3.42Å; T100-T104 VanDerWaalsContact O-N 3.1Å; T100-T104 PolarHBondContact O-OG1 2.62Å; F101-T104 WeakPolarHBondContact O-CA 3.1Å; F101-T104 WeakPolarHBondContact O-CB 3.23Å; F101-T104 PolarHBondContact O-N 3.13Å; F101-T104 VanDerWaalsContact O-N 3.09Å; T102-T104 VanDerWaalsContact C-N 3.29Å; T102-T104 PolarHBondContact O-N 3.36Å; T104-K106 VanDerWaalsContact C-N 3.28Å; T104-K106 PolarHBondContact O-N 3.16Å; T104-H107 VanDerWaalsContact O-CB 3.23Å; T104-H107 WeakPolarHBondContact O-CB 3.48Å; T104-H107 PolarHBondContact O-N 3.42Å; T104-H107 VanDerWaalsContact O-N 3.12Å; T104-C110 WeakPolarHBondContact O-CB 3.38Å
105	A	98.3	Very high	98.3	Very high	6 Å²	6	46.9 Å²	46.9	5%	0.05	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-27.7	178	0	0	0	0	0	113.8	F55 F101 T102 H107 F461	F55-A105 HydrophobicContact CE1-CB 3.96Å; F55-A105 HydrophobicContact CZ-CB 4.46Å; F101-A105 WeakPolarHBondContact O-CB 3.21Å; F101-A105 PolarHBondContact O-N 3.45Å; T102-A105 PolarHBondContact O-N 3.1Å; A105-H107 VanDerWaalsContact C-N 3.34Å; A105-F461 HydrophobicContact CB-CD1 4.07Å; A105-F461 HydrophobicContact CB-CD2 3.45Å; A105-F461 VanDerWaalsContact CB-CD2 3.45Å; A105-F461 HydrophobicContact CB-CE1 4.01Å; A105-F461 HydrophobicContact CB-CE2 3.37Å; A105-F461 HydrophobicContact CB-CG 3.8Å; A105-F461 HydrophobicContact CB-CZ 3.67Å
106	K	98.1	Very high	98.3	Very high	120 Å²	120	46 Å²	46	52%	0.522	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.1	175.2	-70	-173.2	177.4	-163.9	0	114	T102 T104 F461 E465	T102-K106 HydrophobicContact CG2-CD 4.27Å; T102-K106 WeakPolarHBondContact O-CB 3.49Å; T102-K106 WeakPolarHBondContact O-CG 3.35Å; T102-K106 PolarHBondContact O-N 2.91Å; T104-K106 VanDerWaalsContact C-N 3.28Å; T104-K106 PolarHBondContact O-N 3.16Å; K106-F461 HydrophobicContact CG-CD1 4.22Å; K106-F461 HydrophobicContact CG-CE1 4.09Å; K106-E465 VanDerWaalsContact CE-CD 3.47Å; K106-E465 WeakPolarHBondContact CE-OE1 3.42Å; K106-E465 WeakPolarHBondContact CE-OE2 3.35Å; K106-E465 IonicContact NZ-OE1 2.78Å; K106-E465 PolarHBondContact NZ-OE1 2.81Å; K106-E465 IonicContact NZ-OE2 2.69Å; K106-E465 PolarHBondContact NZ-OE2 3.3Å
107	H	98.3	Very high	98.3	Very high	67 Å²	67	43.8 Å²	43.8	31%	0.31	24%	0.235	S	C	.	.	S	Bend	trans	-69.9	136.5	176	-165.3	-73.1	0	0	0	109.9	Q103 T104 A105 R109 C110	Q103-H107 PolarHBondContact O-N 2.91Å; T104-H107 VanDerWaalsContact O-CB 3.23Å; T104-H107 WeakPolarHBondContact O-CB 3.48Å; T104-H107 PolarHBondContact O-N 3.42Å; T104-H107 VanDerWaalsContact O-N 3.12Å; A105-H107 VanDerWaalsContact C-N 3.34Å; H107-R109 PolarHBondContact CE1-NE 3.09Å; H107-R109 PolarHBondContact ND1-N 2.73Å; H107-R109 PolarHBondContact O-N 2.87Å; H107-C110 HydrophobicContact CB-CB 4.2Å; H107-C110 PolarHBondContact O-N 2.83Å
108	S	97.4	Very high	98.3	Very high	121 Å²	121	42.7 Å²	42.7	85%	0.846	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	2.6	-178.4	59.2	0	0	0	0	116.3
109	R	97.9	Very high	98.2	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.117	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	15.7	177.9	-61.9	-172	-74.5	116.6	-8	111.2	I62 R65 Q66 V68 V70 H107	I62-R109 PolarHBondContact O-NH2 2.93Å; R65-R109 PolarHBondContact O-NH1 3.38Å; R65-R109 PolarHBondContact O-NH2 2.78Å; R65-R109 VanDerWaalsContact O-NH2 3.16Å; Q66-R109 VanDerWaalsContact O-CD 3.31Å; Q66-R109 WeakPolarHBondContact O-CD 3.43Å; Q66-R109 VanDerWaalsContact O-CZ 3.3Å; Q66-R109 PolarHBondContact O-NE 3.42Å; V68-R109 WeakPolarHBondContact O-CD 3.41Å; V68-R109 PolarHBondContact O-NH1 3.47Å; V70-R109 PolarHBondContact N-O 2.7Å; H107-R109 PolarHBondContact CE1-NE 3.09Å; H107-R109 PolarHBondContact ND1-N 2.73Å; H107-R109 PolarHBondContact O-N 2.87Å
110	C	98.6	Very high	98.1	Very high	13 Å²	13	45.4 Å²	45.4	9%	0.088	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.5	178.8	-166.1	0	0	0	0	109.5	I62 V70 T104 H107	I62-C110 HydrophobicContact CD1-CB 3.74Å; V70-C110 CarbonylContact O-C 3.52Å; V70-C110 VanDerWaalsContact O-CA 3.24Å; V70-C110 WeakPolarHBondContact O-CA 3.49Å; T104-C110 WeakPolarHBondContact O-CB 3.38Å; H107-C110 HydrophobicContact CB-CB 4.2Å; H107-C110 PolarHBondContact O-N 2.83Å
111	S	98.6	Very high	98.1	Very high	41 Å²	41	44.4 Å²	44.4	29%	0.287	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.8	172.9	-34.9	0	0	0	0	109.9	V70 D71 I72 Y113	V70-S111 PolarHBondContact O-N 2.82Å; D71-S111 WeakPolarHBondContact OD1-CB 3.42Å; D71-S111 PolarHBondContact OD1-OG 3.5Å; I72-S111 PolarHBondContact N-O 2.72Å; S111-Y113 VanDerWaalsContact CB-CE2 3.49Å
112	F	98.9	Very high	98.1	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.7	174	174.3	-102.8	0	0	0	110.4	I72 E74 P79 V459 T460 F461	I72-F112 HydrophobicContact CB-CD2 4.46Å; I72-F112 HydrophobicContact CG2-CD2 4.37Å; I72-F112 CarbonylContact O-C 3.46Å; I72-F112 WeakPolarHBondContact O-CA 3.37Å; E74-F112 HydrophobicContact CB-CE2 3.57Å; E74-F112 HydrophobicContact CB-CZ 3.86Å; E74-F112 HydrophobicContact CG-CE2 4.26Å; E74-F112 HydrophobicContact CG-CZ 4.25Å; P79-F112 HydrophobicContact CB-CE2 3.79Å; P79-F112 HydrophobicContact CB-CZ 3.86Å; P79-F112 HydrophobicContact CG-CZ 4.38Å; F112-V459 WeakPolarHBondContact CD1-O 3.49Å; F112-T460 WeakPolarHBondContact O-CA 3.22Å; F112-F461 HydrophobicContact CB-CB 3.99Å; F112-F461 HydrophobicContact CB-CD2 4.22Å; F112-F461 HydrophobicContact CD1-CB 4.45Å; F112-F461 HydrophobicContact CD1-CD2 4.34Å; F112-F461 HydrophobicContact CG-CD2 4.29Å
113	Y	98.8	Very high	98	Very high	35 Å²	35	45.1 Å²	45.1	14%	0.137	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	79	179.3	-59.8	-78.2	0	0	0	109.2	D71 I72 Y73 E74 S111 S444 P458	D71-Y113 HydrophobicContact CB-CD2 4.21Å; D71-Y113 HydrophobicContact CB-CE2 3.87Å; I72-Y113 PolarHBondContact O-N 2.57Å; Y73-Y113 WeakPolarHBondContact CA-O 3.34Å; Y73-Y113 HydrophobicContact CD1-CD2 4.38Å; Y73-Y113 HydrophobicContact CD1-CG 4.28Å; Y73-Y113 AromaticContact CE1-CD2 3.94Å; Y73-Y113 HydrophobicContact CE1-CD2 3.94Å; Y73-Y113 AromaticContact CE1-CG 3.92Å; Y73-Y113 HydrophobicContact CE1-CG 3.92Å; Y73-Y113 HydrophobicContact CE2-CD2 4.15Å; Y73-Y113 AromaticContact CZ-CD2 3.81Å; E74-Y113 PolarHBondContact N-O 2.72Å; S111-Y113 VanDerWaalsContact CB-CE2 3.49Å; Y113-S444 WeakPolarHBondContact OH-CB 3.4Å; Y113-S444 PolarHBondContact OH-OG 3.28Å; Y113-P458 HydrophobicContact CD1-CB 3.96Å; Y113-P458 HydrophobicContact CD1-CG 4.29Å
114	G	98.8	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-71.1	167.3	170.1	0	0	0	0	0	112	E74 L76 V116 P458 V459	E74-G114 CarbonylContact O-C 3.54Å; E74-G114 VanDerWaalsContact O-C 3.27Å; E74-G114 WeakPolarHBondContact O-CA 3.41Å; L76-G114 CarbonylContact O-C 3.44Å; L76-G114 WeakPolarHBondContact O-CA 3.42Å; G114-V116 VanDerWaalsContact C-N 3.28Å; G114-V116 PolarHBondContact O-N 3Å; G114-P458 CarbonylContact O-C 3.56Å; G114-P458 VanDerWaalsContact O-CA 3.28Å; G114-P458 WeakPolarHBondContact O-CA 3.39Å; G114-V459 PolarHBondContact N-O 2.82Å; G114-V459 PolarHBondContact O-N 3.5Å
115	N	98.7	Very high	97.9	Very high	30 Å²	30	42.3 Å²	42.3	16%	0.16	23%	0.229	C	C	.	.	S	Bend	trans	57.8	35.7	-175.4	-167.3	68.8	0	0	0	113.6	E74 R75 L76 P77 R457 V459 L492	E74-N115 PolarHBondContact O-N 3.39Å; R75-N115 WeakPolarHBondContact O-CA 3.39Å; L76-N115 PolarHBondContact O-N 2.81Å; P77-N115 HydrophobicContact CG-CB 4.35Å; N115-R457 PolarHBondContact ND2-O 2.97Å; N115-V459 HydrophobicContact CB-CB 4.49Å; N115-V459 HydrophobicContact CB-CG2 3.82Å; N115-L492 HydrophobicContact CB-CD2 4.12Å
116	V	98.7	Very high	97.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.238	C	C	.	.			trans	-127.4	110.4	175.2	-177.4	0	0	0	0	110.1	Y73 E74 R75 G114 V118 D121 V122 L451 P458	Y73-V116 HydrophobicContact CD1-CB 4.07Å; Y73-V116 HydrophobicContact CD1-CG1 3.84Å; Y73-V116 HydrophobicContact CD1-CG2 4.37Å; Y73-V116 HydrophobicContact CE1-CG1 4.44Å; E74-V116 CarbonylContact C-O 3.5Å; E74-V116 PolarHBondContact O-N 2.88Å; R75-V116 WeakPolarHBondContact CA-O 3.45Å; R75-V116 PolarHBondContact N-O 3.06Å; G114-V116 VanDerWaalsContact C-N 3.28Å; G114-V116 PolarHBondContact O-N 3Å; V116-V118 PolarHBondContact O-N 3.2Å; V116-D121 HydrophobicContact CG1-CB 4.5Å; V116-V122 HydrophobicContact CG1-CG1 3.96Å; V116-L451 HydrophobicContact CG1-CD1 3.87Å; V116-L451 HydrophobicContact CG1-CD2 3.87Å; V116-L451 HydrophobicContact CG2-CD1 3.76Å; V116-P458 HydrophobicContact CG2-CB 4.03Å; V116-P458 HydrophobicContact CG2-CG 3.95Å
117	N	97.8	Very high	97.9	Very high	47 Å²	47	38.7 Å²	38.7	25%	0.251	21%	0.213	S	C	.	.			trans	-90.3	92.4	-178.6	-166.1	18	0	0	0	111.7	R75 G119 K120 D121	R75-N117 VanDerWaalsContact CD-CG 3.5Å; R75-N117 WeakPolarHBondContact CD-OD1 3.06Å; R75-N117 HydrophobicContact CG-CB 3.79Å; R75-N117 WeakPolarHBondContact CG-OD1 3.38Å; N117-G119 PolarHBondContact O-N 3.04Å; N117-K120 HydrophobicContact CB-CB 4.22Å; N117-K120 PolarHBondContact O-N 3.33Å; N117-D121 HydrophobicContact CB-CB 4.46Å; N117-D121 WeakPolarHBondContact CB-OD2 3.48Å; N117-D121 PolarHBondContact N-OD2 2.92Å; N117-D121 PolarHBondContact O-N 2.95Å
118	V	98.1	Very high	97.8	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-61	133.7	174.8	-176.3	0	0	0	0	110.5	V48 V116 V122 V124 L127 I372	V48-V118 HydrophobicContact CG1-CB 3.74Å; V48-V118 HydrophobicContact CG1-CG1 4.09Å; V48-V118 HydrophobicContact CG1-CG2 3.76Å; V48-V118 HydrophobicContact CG2-CG1 4.21Å; V48-V118 HydrophobicContact CG2-CG2 4.11Å; V116-V118 PolarHBondContact O-N 3.2Å; V118-V122 CarbonylContact C-O 2.94Å; V118-V122 WeakPolarHBondContact CA-O 3.23Å; V118-V122 HydrophobicContact CB-CG1 4.47Å; V118-V122 HydrophobicContact CG2-CG1 3.94Å; V118-V124 HydrophobicContact CG1-CG2 3.88Å; V118-L127 HydrophobicContact CB-CD1 4.45Å; V118-L127 HydrophobicContact CG1-CD1 3.56Å; V118-L127 HydrophobicContact CG2-CD1 3.97Å; V118-I372 HydrophobicContact CG1-CD1 4.19Å
119	G	95.9	Very high	97.8	Very high	30 Å²	30	34.4 Å²	34.4	31%	0.309	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-6.6	-168.4	0	0	0	0	0	114.4	N117 V122 I372	N117-G119 PolarHBondContact O-N 3.04Å; G119-V122 PolarHBondContact N-O 3.39Å; G119-I372 VanDerWaalsContact CA-O 3.27Å; G119-I372 WeakPolarHBondContact CA-O 3.3Å
120	K	96.1	Very high	97.8	Very high	160 Å²	160	33 Å²	33	70%	0.696	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-52.1	176.1	-175.9	-170.4	175.5	-172.2	0	112.9	N117	N117-K120 HydrophobicContact CB-CB 4.22Å; N117-K120 PolarHBondContact O-N 3.33Å
121	D	97.7	Very high	97.8	Very high	29 Å²	29	32.5 Å²	32.5	16%	0.155	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-30.2	-174.8	-58.1	-15	0	0	0	110.9	V116 N117 L451 R454 V456	V116-D121 HydrophobicContact CG1-CB 4.5Å; N117-D121 HydrophobicContact CB-CB 4.46Å; N117-D121 WeakPolarHBondContact CB-OD2 3.48Å; N117-D121 PolarHBondContact N-OD2 2.92Å; N117-D121 PolarHBondContact O-N 2.95Å; D121-L451 HydrophobicContact CB-CD2 4.01Å; D121-R454 WeakPolarHBondContact O-CD 3.29Å; D121-R454 PolarHBondContact O-NH1 3.26Å; D121-V456 HydrophobicContact CB-CG1 4.28Å; D121-V456 HydrophobicContact CB-CG2 4.02Å
122	V	97.7	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-145.7	137.4	171	62.5	0	0	0	0	108.5	V116 V118 G119 E126 L127 V447 L451	V116-V122 HydrophobicContact CG1-CG1 3.96Å; V118-V122 CarbonylContact C-O 2.94Å; V118-V122 WeakPolarHBondContact CA-O 3.23Å; V118-V122 HydrophobicContact CB-CG1 4.47Å; V118-V122 HydrophobicContact CG2-CG1 3.94Å; G119-V122 PolarHBondContact N-O 3.39Å; V122-E126 WeakPolarHBondContact CA-OE2 3.46Å; V122-E126 HydrophobicContact CG2-CB 3.78Å; V122-E126 WeakPolarHBondContact CG2-OE2 3.16Å; V122-L127 HydrophobicContact CG1-CD1 4.48Å; V122-L127 HydrophobicContact CG1-CD2 4.3Å; V122-L127 HydrophobicContact CG1-CG 4.46Å; V122-L127 HydrophobicContact CG2-CD2 4.01Å; V122-L127 HydrophobicContact CG2-CG 4.14Å; V122-V447 HydrophobicContact CG2-CG1 4.13Å; V122-L451 HydrophobicContact CB-CD2 4.32Å
123	T	97.9	Very high	97.8	Very high	48 Å²	48	31 Å²	31	29%	0.294	17%	0.173	S	C	.	.			trans	-83.2	164.2	179	71.1	0	0	0	0	111.6	D125 E126 L127 D373	T123-D125 VanDerWaalsContact C-N 3.33Å; T123-E126 PolarHBondContact N-OE2 2.88Å; T123-E126 PolarHBondContact O-N 3.12Å; T123-E126 VanDerWaalsContact OG1-CG 3.25Å; T123-E126 WeakPolarHBondContact OG1-CG 3.42Å; T123-E126 PolarHBondContact OG1-N 3.18Å; T123-E126 VanDerWaalsContact OG1-N 3.12Å; T123-L127 WeakPolarHBondContact O-CG 3.46Å; T123-L127 PolarHBondContact O-N 3.12Å; T123-D373 WeakPolarHBondContact CA-OD2 3.49Å; T123-D373 WeakPolarHBondContact CB-OD2 3.4Å
124	V	97.4	Very high	97.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.7	-34.7	174.9	178.3	0	0	0	0	111.2	V118 E126 L127 Q128 L136 I372 D373 V376 L398	V118-V124 HydrophobicContact CG1-CG2 3.88Å; V124-E126 PolarHBondContact O-N 2.91Å; V124-L127 WeakPolarHBondContact O-CB 3.41Å; V124-L127 PolarHBondContact O-N 2.88Å; V124-L127 VanDerWaalsContact O-N 3.17Å; V124-Q128 PolarHBondContact O-N 2.76Å; V124-L136 HydrophobicContact CG2-CD2 4.42Å; V124-I372 HydrophobicContact CG2-CD1 4.17Å; V124-D373 HydrophobicContact CB-CB 4.33Å; V124-D373 HydrophobicContact CG2-CB 3.8Å; V124-D373 PolarHBondContact N-OD2 2.92Å; V124-V376 HydrophobicContact CB-CG2 3.75Å; V124-V376 HydrophobicContact CG1-CG2 3.68Å; V124-V376 HydrophobicContact CG2-CG2 3.83Å; V124-L398 HydrophobicContact CG1-CD1 3.88Å; V124-L398 HydrophobicContact CG1-CD2 4.4Å
125	D	97	Very high	97.8	Very high	94 Å²	94	29.3 Å²	29.3	50%	0.503	17%	0.166	S	C	.	.	H	α-helix	trans	-60.9	-41.5	173.5	-69.2	-17	0	0	0	112.1	T123 L127 Q128 G129 A375	T123-D125 VanDerWaalsContact C-N 3.33Å; D125-L127 VanDerWaalsContact C-N 3.31Å; D125-L127 PolarHBondContact O-N 2.85Å; D125-Q128 PolarHBondContact O-N 3.14Å; D125-G129 PolarHBondContact O-N 3.19Å; D125-A375 WeakPolarHBondContact OD1-CB 3.31Å
126	E	97.6	Very high	97.8	Very high	49 Å²	49	27.9 Å²	27.9	23%	0.229	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-38.5	175.1	-74.5	168.9	162.8	0	0	111.6	V122 T123 V124 G129 A130 L450 R454	V122-E126 WeakPolarHBondContact CA-OE2 3.46Å; V122-E126 HydrophobicContact CG2-CB 3.78Å; V122-E126 WeakPolarHBondContact CG2-OE2 3.16Å; T123-E126 PolarHBondContact N-OE2 2.88Å; T123-E126 PolarHBondContact O-N 3.12Å; T123-E126 VanDerWaalsContact OG1-CG 3.25Å; T123-E126 WeakPolarHBondContact OG1-CG 3.42Å; T123-E126 PolarHBondContact OG1-N 3.18Å; T123-E126 VanDerWaalsContact OG1-N 3.12Å; V124-E126 PolarHBondContact O-N 2.91Å; E126-G129 PolarHBondContact O-N 2.61Å; E126-A130 WeakPolarHBondContact O-CB 3.41Å; E126-A130 PolarHBondContact O-N 2.88Å; E126-L450 HydrophobicContact CB-CD1 4.27Å; E126-L450 HydrophobicContact CG-CD1 4.27Å; E126-R454 IonicContact OE1-CZ 3.5Å; E126-R454 IonicContact OE1-NH1 3.45Å; E126-R454 PolarHBondContact OE1-NH1 3.22Å; E126-R454 IonicContact OE1-NH2 2.67Å; E126-R454 PolarHBondContact OE1-NH2 3.08Å; E126-R454 IonicContact OE2-CZ 3.59Å; E126-R454 IonicContact OE2-NH1 2.75Å; E126-R454 PolarHBondContact OE2-NH1 3.5Å; E126-R454 IonicContact OE2-NH2 3.52Å
127	L	98.1	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.6	-40.2	174	-62.7	174.1	0	0	0	112	V48 Y73 V118 V122 T123 V124 D125 G129 A130 Y131 V134 V447	V48-L127 HydrophobicContact CG2-CD1 3.92Å; Y73-L127 HydrophobicContact CE2-CD2 4.43Å; V118-L127 HydrophobicContact CB-CD1 4.45Å; V118-L127 HydrophobicContact CG1-CD1 3.56Å; V118-L127 HydrophobicContact CG2-CD1 3.97Å; V122-L127 HydrophobicContact CG1-CD1 4.48Å; V122-L127 HydrophobicContact CG1-CD2 4.3Å; V122-L127 HydrophobicContact CG1-CG 4.46Å; V122-L127 HydrophobicContact CG2-CD2 4.01Å; V122-L127 HydrophobicContact CG2-CG 4.14Å; T123-L127 WeakPolarHBondContact O-CG 3.46Å; T123-L127 PolarHBondContact O-N 3.12Å; V124-L127 WeakPolarHBondContact O-CB 3.41Å; V124-L127 PolarHBondContact O-N 2.88Å; V124-L127 VanDerWaalsContact O-N 3.17Å; D125-L127 VanDerWaalsContact C-N 3.31Å; D125-L127 PolarHBondContact O-N 2.85Å; L127-G129 VanDerWaalsContact C-N 3.31Å; L127-G129 PolarHBondContact O-N 3.12Å; L127-A130 PolarHBondContact O-N 3.18Å; L127-Y131 HydrophobicContact CD2-CD2 4.42Å; L127-Y131 HydrophobicContact CD2-CE2 4.1Å; L127-Y131 WeakPolarHBondContact O-CB 3.41Å; L127-Y131 WeakPolarHBondContact O-CD2 3.43Å; L127-Y131 PolarHBondContact O-N 3.09Å; L127-V134 HydrophobicContact CB-CG1 4.4Å; L127-V134 HydrophobicContact CB-CG2 3.81Å; L127-V447 HydrophobicContact CD2-CG1 4.37Å; L127-V447 HydrophobicContact CD2-CG2 3.86Å
128	Q	97.1	Very high	97.8	Very high	51 Å²	51	28.3 Å²	28.3	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-67.9	-31.4	174.8	-71.3	-175.8	-103.2	0	0	112.1	V124 D125 Y131 V134 P396 K441	V124-Q128 PolarHBondContact O-N 2.76Å; D125-Q128 PolarHBondContact O-N 3.14Å; Q128-Y131 VanDerWaalsContact O-O 3.11Å; Q128-V134 HydrophobicContact CG-CB 4.41Å; Q128-V134 HydrophobicContact CG-CG2 3.79Å; Q128-P396 PolarHBondContact NE2-O 3.07Å; Q128-P396 VanDerWaalsContact NE2-O 3.17Å; Q128-K441 PolarHBondContact O-NZ 2.72Å
129	G	96.6	Very high	97.7	Very high	48 Å²	48	28.6 Å²	28.6	50%	0.495	16%	0.162	S	C	.	.	H	α-helix	trans	-61.9	-49.5	167.8	0	0	0	0	0	112	D125 E126 L127 K441	D125-G129 PolarHBondContact O-N 3.19Å; E126-G129 PolarHBondContact O-N 2.61Å; L127-G129 VanDerWaalsContact C-N 3.31Å; L127-G129 PolarHBondContact O-N 3.12Å; G129-K441 WeakPolarHBondContact O-CD 3.22Å; G129-K441 PolarHBondContact O-NZ 3.5Å
130	A	98.1	Very high	97.7	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-77.7	-27.5	-173.8	0	0	0	0	0	115.4	E126 L127 K441 P442 G443 E446 V447	E126-A130 WeakPolarHBondContact O-CB 3.41Å; E126-A130 PolarHBondContact O-N 2.88Å; L127-A130 PolarHBondContact O-N 3.18Å; A130-K441 WeakPolarHBondContact O-CB 3.44Å; A130-P442 HydrophobicContact CB-CG 4.49Å; A130-P442 WeakPolarHBondContact O-CD 3.43Å; A130-G443 VanDerWaalsContact O-CA 3.25Å; A130-G443 WeakPolarHBondContact O-CA 3.36Å; A130-G443 PolarHBondContact O-N 3.46Å; A130-E446 HydrophobicContact CB-CB 4.23Å; A130-V447 HydrophobicContact CB-CG2 3.83Å
131	Y	98.6	Very high	97.5	Very high	1 Å²	1	23 Å²	23	0%	0.004	13%	0.132	C	C	.	.			trans	-117.3	169.8	-175	-68	-92	0	0	0	112.9	K44 C46 D71 Y73 L127 Q128 K441 S444 V447	K44-Y131 HydrophobicContact CB-CD1 3.82Å; K44-Y131 HydrophobicContact CB-CE1 4.31Å; C46-Y131 HydrophobicContact CB-CD1 3.88Å; C46-Y131 HydrophobicContact CB-CD2 3.57Å; C46-Y131 HydrophobicContact CB-CE1 4.11Å; C46-Y131 HydrophobicContact CB-CE2 3.81Å; C46-Y131 HydrophobicContact CB-CG 3.61Å; D71-Y131 HydrophobicContact CB-CE1 3.93Å; D71-Y131 VanDerWaalsContact CB-OH 3.3Å; D71-Y131 WeakPolarHBondContact CB-OH 3.42Å; D71-Y131 VanDerWaalsContact OD2-CE1 3.23Å; D71-Y131 WeakPolarHBondContact OD2-CE1 3.43Å; D71-Y131 VanDerWaalsContact OD2-CZ 3.31Å; D71-Y131 PolarHBondContact OD2-OH 2.77Å; Y73-Y131 HydrophobicContact CE2-CE2 4.24Å; Y73-Y131 WeakPolarHBondContact CE2-OH 3.28Å; Y73-Y131 PolarHBondContact OH-OH 2.76Å; L127-Y131 HydrophobicContact CD2-CD2 4.42Å; L127-Y131 HydrophobicContact CD2-CE2 4.1Å; L127-Y131 WeakPolarHBondContact O-CB 3.41Å; L127-Y131 WeakPolarHBondContact O-CD2 3.43Å; L127-Y131 PolarHBondContact O-N 3.09Å; Q128-Y131 VanDerWaalsContact O-O 3.11Å; Y131-K441 WeakPolarHBondContact O-CD 3.45Å; Y131-K441 WeakPolarHBondContact O-CE 3.36Å; Y131-K441 PolarHBondContact O-NZ 2.88Å; Y131-S444 WeakPolarHBondContact OH-CA 3.32Å; Y131-S444 PolarHBondContact OH-N 3.27Å; Y131-V447 HydrophobicContact CE2-CG2 3.9Å
132	H	98.5	Very high	97.2	Very high	15 Å²	15	22 Å²	22	7%	0.069	13%	0.128	C	C	.	.	S	Bend	trans	-81.4	-43.3	170.3	-52.5	91.5	0	0	0	111	C42 K44 V437 P439 K441	C42-H132 PolarHBondContact O-CE1 2.88Å; K44-H132 PolarHBondContact N-CE1 2.96Å; K44-H132 PolarHBondContact N-ND1 3.34Å; K44-H132 PolarHBondContact O-N 2.66Å; K44-H132 PolarHBondContact O-ND1 3.26Å; H132-V437 HydrophobicContact CB-CG1 4.16Å; H132-P439 PolarHBondContact NE2-O 2.94Å; H132-K441 VanDerWaalsContact CD2-CG 3.49Å; H132-K441 WeakPolarHBondContact CD2-CG 3.42Å; H132-K441 WeakPolarHBondContact NE2-CG 3.42Å
133	A	98.6	Very high	96.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149	175.4	0	0	0	0	0	111.5	V45 C46 G397 Y399 L426 L435	V45-A133 WeakPolarHBondContact CA-O 3.27Å; V45-A133 HydrophobicContact CG1-CB 4.26Å; V45-A133 HydrophobicContact CG2-CB 4.37Å; C46-A133 PolarHBondContact N-O 3.18Å; A133-G397 VanDerWaalsContact CA-O 3.28Å; A133-G397 WeakPolarHBondContact CA-O 3.35Å; A133-Y399 HydrophobicContact CB-CD2 4.09Å; A133-Y399 HydrophobicContact CB-CE2 3.85Å; A133-L426 HydrophobicContact CB-CD1 3.82Å; A133-L426 HydrophobicContact CB-CG 4.2Å; A133-L435 HydrophobicContact CB-CD2 3.88Å
134	V	98.8	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.8	172.4	-178.3	0	0	0	0	108.5	C46 V48 L127 Q128 L136 G397 L398 Y399	C46-V134 HydrophobicContact CB-CB 4.49Å; C46-V134 HydrophobicContact CB-CG1 4.37Å; C46-V134 HydrophobicContact CB-CG2 4.16Å; C46-V134 CarbonylContact O-C 3.15Å; C46-V134 WeakPolarHBondContact O-CA 3.47Å; V48-V134 HydrophobicContact CG2-CG1 4.08Å; L127-V134 HydrophobicContact CB-CG1 4.4Å; L127-V134 HydrophobicContact CB-CG2 3.81Å; Q128-V134 HydrophobicContact CG-CB 4.41Å; Q128-V134 HydrophobicContact CG-CG2 3.79Å; V134-L136 HydrophobicContact CG1-CD2 4.18Å; V134-G397 PolarHBondContact N-O 3.43Å; V134-L398 HydrophobicContact CB-CD1 3.76Å; V134-L398 HydrophobicContact CG1-CD1 3.88Å; V134-Y399 PolarHBondContact O-N 2.96Å
135	V	98.9	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113.6	177.3	-166.9	0	0	0	0	110.4	V45 C46 I47 V48 T57 S137 Y399 T422 L426	V45-V135 HydrophobicContact CG1-CG2 4.01Å; C46-V135 PolarHBondContact O-N 3.47Å; I47-V135 WeakPolarHBondContact CA-O 3.28Å; I47-V135 HydrophobicContact CG1-CB 4.2Å; I47-V135 HydrophobicContact CG1-CG2 4.29Å; V48-V135 PolarHBondContact N-O 2.89Å; T57-V135 HydrophobicContact CG2-CG1 4.25Å; T57-V135 HydrophobicContact CG2-CG2 4.17Å; V135-S137 PolarHBondContact O-N 2.96Å; V135-Y399 WeakPolarHBondContact CA-O 2.99Å; V135-T422 HydrophobicContact CG1-CG2 4Å; V135-L426 HydrophobicContact CG2-CD1 3.77Å
136	L	98.8	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	112.6	176.3	-56.3	-178.4	0	0	0	110.6	V48 V124 V134 Y138 I372 V376 M385 L398 Y399 C400 S401 L404	V48-L136 HydrophobicContact CB-CD2 4Å; V48-L136 HydrophobicContact CG1-CD2 4.48Å; V48-L136 HydrophobicContact CG2-CD2 3.89Å; V124-L136 HydrophobicContact CG2-CD2 4.42Å; V134-L136 HydrophobicContact CG1-CD2 4.18Å; L136-Y138 HydrophobicContact CB-CD1 4.22Å; L136-Y138 HydrophobicContact CB-CE1 3.96Å; L136-Y138 HydrophobicContact CD1-CE1 4.3Å; L136-Y138 HydrophobicContact CD2-CE1 4.38Å; L136-Y138 HydrophobicContact CG-CE1 4.45Å; L136-I372 HydrophobicContact CD2-CD1 4.38Å; L136-V376 HydrophobicContact CD1-CG1 3.72Å; L136-V376 HydrophobicContact CD1-CG2 4.46Å; L136-M385 HydrophobicContact CD1-CE 3.91Å; L136-L398 HydrophobicContact CD1-CD1 4.02Å; L136-L398 HydrophobicContact CD1-CD2 4.14Å; L136-L398 HydrophobicContact CD1-CG 4.25Å; L136-L398 HydrophobicContact CD2-CD1 4.27Å; L136-L398 HydrophobicContact CG-CD1 3.88Å; L136-L398 HydrophobicContact CG-CG 4.48Å; L136-Y399 PolarHBondContact N-O 3.38Å; L136-C400 HydrophobicContact CB-CB 4.33Å; L136-C400 CarbonylContact O-C 3.59Å; L136-C400 WeakPolarHBondContact O-CA 3.36Å; L136-C400 WeakPolarHBondContact O-CB 3.36Å; L136-S401 PolarHBondContact O-N 3.3Å; L136-L404 HydrophobicContact CB-CD2 3.49Å; L136-L404 VanDerWaalsContact CB-CD2 3.49Å
137	S	98.6	Very high	96.1	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.028	18%	0.179	C	C	.	.			trans	-133.4	19.1	-174.8	65.9	0	0	0	0	113.7	I47 V48 G49 G54 V135 G139 S401	I47-S137 WeakPolarHBondContact CG2-OG 3.45Å; V48-S137 CarbonylContact O-C 3.58Å; V48-S137 VanDerWaalsContact O-CA 3.23Å; V48-S137 WeakPolarHBondContact O-CA 3.34Å; V48-S137 PolarHBondContact O-N 3.39Å; V48-S137 PolarHBondContact O-OG 3.09Å; G49-S137 PolarHBondContact O-OG 3.27Å; G49-S137 VanDerWaalsContact O-OG 3.04Å; G54-S137 VanDerWaalsContact CA-OG 3.3Å; G54-S137 WeakPolarHBondContact CA-OG 3.4Å; G54-S137 PolarHBondContact N-OG 3.4Å; V135-S137 PolarHBondContact O-N 2.96Å; S137-G139 PolarHBondContact O-N 3.12Å; S137-S401 WeakPolarHBondContact CB-OG 3.43Å
138	Y	97.8	Very high	96.1	Very high	54 Å²	54	33.4 Å²	33.4	21%	0.212	19%	0.185	C	C	.	.			trans	-68.4	0.5	-176.3	58.6	-104.5	0	0	0	115.3	V48 L136 L370 I372 L404	V48-Y138 HydrophobicContact CG1-CD1 4.3Å; V48-Y138 PolarHBondContact O-N 2.89Å; V48-Y138 VanDerWaalsContact O-N 3.1Å; L136-Y138 HydrophobicContact CB-CD1 4.22Å; L136-Y138 HydrophobicContact CB-CE1 3.96Å; L136-Y138 HydrophobicContact CD1-CE1 4.3Å; L136-Y138 HydrophobicContact CD2-CE1 4.38Å; L136-Y138 HydrophobicContact CG-CE1 4.45Å; Y138-L370 WeakPolarHBondContact CE2-O 3.17Å; Y138-L370 PolarHBondContact OH-O 2.88Å; Y138-I372 HydrophobicContact CD1-CD1 3.69Å; Y138-I372 HydrophobicContact CD1-CG1 4.34Å; Y138-I372 HydrophobicContact CD1-CG2 4.24Å; Y138-I372 HydrophobicContact CD2-CG2 4.08Å; Y138-I372 HydrophobicContact CE1-CB 4.43Å; Y138-I372 HydrophobicContact CE1-CD1 3.39Å; Y138-I372 HydrophobicContact CE1-CG1 3.64Å; Y138-I372 HydrophobicContact CE1-CG2 3.92Å; Y138-I372 HydrophobicContact CE2-CG2 3.76Å; Y138-I372 HydrophobicContact CG-CG2 4.31Å; Y138-L404 HydrophobicContact CD1-CD2 3.84Å; Y138-L404 HydrophobicContact CD2-CD2 4.32Å; Y138-L404 HydrophobicContact CE1-CD1 4.48Å; Y138-L404 HydrophobicContact CE1-CD2 3.34Å; Y138-L404 HydrophobicContact CE2-CD1 3.69Å; Y138-L404 HydrophobicContact CE2-CD2 3.87Å; Y138-L404 HydrophobicContact CE2-CG 4.29Å; Y138-L404 HydrophobicContact CG-CD2 4.31Å; Y138-L404 WeakPolarHBondContact OH-CD1 3.46Å
139	G	96.8	Very high	96.1	Very high	15 Å²	15	35 Å²	35	16%	0.155	20%	0.199	C	C	.	.			trans	69.7	-144.2	172.2	0	0	0	0	0	114	S137	S137-G139 PolarHBondContact O-N 3.12Å
140	A	95.4	Very high	96	Very high	10 Å²	10	34 Å²	34	8%	0.083	19%	0.19	C	C	.	.			trans	-132.8	100.7	-176.1	0	0	0	0	0	111.5	K368 W403 P408	A140-K368 CarbonylContact C-O 3.58Å; A140-W403 HydrophobicContact CB-CB 4.29Å; A140-W403 HydrophobicContact CB-CE3 4.09Å; A140-P408 HydrophobicContact CB-CB 3.94Å; A140-P408 HydrophobicContact CB-CG 4.29Å
141	E	91.8	Very high	96	Very high	62 Å²	62	35.5 Å²	35.5	29%	0.29	20%	0.196	S	C	.	.			trans	-92.7	-24.2	-176.3	-179.6	167.1	-148.7	0	0	114.3	R75 K160 K368	R75-E141 IonicContact CZ-OE1 2.7Å; R75-E141 IonicContact CZ-OE2 3.22Å; R75-E141 VanDerWaalsContact CZ-OE2 3.31Å; R75-E141 IonicContact NH1-OE1 3.66Å; R75-E141 IonicContact NH1-OE2 3.31Å; R75-E141 PolarHBondContact NH1-OE2 2.79Å; R75-E141 IonicContact NH2-OE1 2.91Å; R75-E141 PolarHBondContact NH2-OE1 3.06Å; R75-E141 IonicContact NH2-OE2 2.81Å; R75-E141 PolarHBondContact NH2-OE2 2.8Å; R75-E141 VanDerWaalsContact NH2-OE2 3.09Å; E141-K160 WeakPolarHBondContact O-CD 3.46Å; E141-K160 WeakPolarHBondContact O-CE 3.39Å; E141-K160 PolarHBondContact O-NZ 3.47Å; E141-K368 PolarHBondContact N-O 2.8Å
142	G	90.9	Very high	95.8	Very high	7 Å²	7	41.1 Å²	41.1	7%	0.072	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144.9	-176.2	0	0	0	0	0	112.8	Y367 K368	G142-Y367 CarbonylContact O-C 3.56Å; G142-Y367 WeakPolarHBondContact O-CA 3.42Å; G142-K368 WeakPolarHBondContact CA-O 3.2Å; G142-K368 PolarHBondContact N-O 3.19Å; G142-K368 PolarHBondContact O-N 3.07Å
143	N	91.3	Very high	95.7	Very high	48 Å²	48	42 Å²	42	26%	0.257	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	147.9	170.9	-66.9	-36.2	0	0	0	111	S158 K160 D161 K368	N143-S158 PolarHBondContact ND2-OG 3.24Å; N143-S158 PolarHBondContact OD1-OG 2.68Å; N143-K160 WeakPolarHBondContact OD1-CB 3.31Å; N143-K160 VanDerWaalsContact OD1-CD 3.3Å; N143-K160 WeakPolarHBondContact OD1-CD 3.42Å; N143-D161 PolarHBondContact ND2-OD2 2.75Å; N143-K368 WeakPolarHBondContact O-CE 3.3Å
144	R	91.8	Very high	95.6	Very high	115 Å²	115	45.8 Å²	45.8	43%	0.434	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-84.7	124	163.1	-70.7	178.5	176.5	-115	-7	108.8	I365 G366 Y367	R144-I365 HydrophobicContact CB-CD1 4.21Å; R144-I365 HydrophobicContact CB-CG1 3.92Å; R144-G366 WeakPolarHBondContact CB-O 3.34Å; R144-G366 VanDerWaalsContact CG-O 3.32Å; R144-G366 WeakPolarHBondContact CG-O 3.49Å; R144-G366 PolarHBondContact N-O 3.04Å; R144-Y367 PolarHBondContact NE-O 2.93Å
145	R	92.4	Very high	95.4	Very high	149 Å²	149	46 Å²	46	56%	0.562	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-69.2	152.8	170.6	-64.4	-75.9	-72.2	-151.2	-0.6	109.4	E151 D152	R145-E151 IonicContact CZ-OE1 3.09Å; R145-E151 VanDerWaalsContact NE-CD 3.28Å; R145-E151 IonicContact NE-OE1 2.73Å; R145-E151 PolarHBondContact NE-OE1 3.01Å; R145-E151 IonicContact NE-OE2 2.83Å; R145-E151 IonicContact NH2-OE1 2.73Å; R145-E151 PolarHBondContact NH2-OE1 3.5Å; R145-D152 IonicContact CZ-OD1 3.69Å; R145-D152 VanDerWaalsContact CZ-OD1 3.31Å; R145-D152 IonicContact CZ-OD2 3.62Å; R145-D152 IonicContact NH1-OD1 3.56Å; R145-D152 PolarHBondContact NH1-OD1 2.82Å; R145-D152 IonicContact NH1-OD2 2.96Å; R145-D152 VanDerWaalsContact NH2-CG 3.35Å; R145-D152 IonicContact NH2-OD1 3.18Å; R145-D152 PolarHBondContact NH2-OD1 2.84Å; R145-D152 IonicContact NH2-OD2 2.7Å; R145-D152 PolarHBondContact NH2-OD2 2.62Å
146	M	94.4	Very high	95.4	Very high	35 Å²	35	46.9 Å²	46.9	17%	0.172	26%	0.264	C	S	.	.			trans	-79.2	-33	173.2	-61.3	-176.6	-67.5	0	0	110.5	V148 E151 V156 L187 I319 I365	M146-V148 HydrophobicContact CB-CG1 4.43Å; M146-V148 HydrophobicContact CB-CG2 3.86Å; M146-V148 HydrophobicContact CE-CG2 4.12Å; M146-E151 WeakPolarHBondContact CA-OE2 3.41Å; M146-E151 WeakPolarHBondContact CB-OE2 3.36Å; M146-E151 HydrophobicContact CE-CB 3.49Å; M146-E151 VanDerWaalsContact CE-CB 3.49Å; M146-E151 PolarHBondContact N-OE2 2.95Å; M146-V156 HydrophobicContact CE-CG1 3.67Å; M146-L187 HydrophobicContact CG-CD1 4.5Å; M146-L187 HydrophobicContact SD-CD1 3.22Å; M146-L187 WeakPolarHBondContact SD-CD1 3.36Å; M146-I319 HydrophobicContact CE-CD1 4.03Å; M146-I319 HydrophobicContact CE-CG1 4.21Å; M146-I365 HydrophobicContact CG-CD1 4.16Å
147	G	95.4	Very high	95.3	Very high	65 Å²	65	48.9 Å²	48.9	67%	0.67	27%	0.271	S	S	*	.			trans	73.5	29.8	-177.8	0	0	0	0	0	112.9	E151	G147-E151 PolarHBondContact N-OE2 2.55Å
148	V	96.9	Very high	95.3	Very high	19 Å²	19	49.5 Å²	49.5	12%	0.115	28%	0.276	C	S	.	.			trans	-115.7	150.4	-178.6	-59.7	0	0	0	0	111.1	M146 E151 T317 I319	M146-V148 HydrophobicContact CB-CG1 4.43Å; M146-V148 HydrophobicContact CB-CG2 3.86Å; M146-V148 HydrophobicContact CE-CG2 4.12Å; V148-E151 HydrophobicContact CG2-CB 4.13Å; V148-E151 WeakPolarHBondContact O-CB 3.32Å; V148-E151 WeakPolarHBondContact O-CG 3.22Å; V148-E151 PolarHBondContact O-N 2.81Å; V148-T317 WeakPolarHBondContact CB-O 3.48Å; V148-I319 HydrophobicContact CG2-CD1 4.48Å; V148-I319 HydrophobicContact CG2-CG1 4.31Å
149	P	97.6	Very high	95.3	Very high	84 Å²	84	47 Å²	47	55%	0.545	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	140.5	171.7	-24.7	35.2	0	0	0	111.8	E151 T317 E318 I319	P149-E151 VanDerWaalsContact C-N 3.32Å; P149-E151 PolarHBondContact O-N 2.89Å; P149-T317 WeakPolarHBondContact CD-O 3.29Å; P149-E318 HydrophobicContact CB-CG 4.37Å; P149-I319 PolarHBondContact O-N 2.75Å
150	G	95.7	Very high	95.2	Very high	29 Å²	29	47.9 Å²	47.9	30%	0.299	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	5.6	-178.8	0	0	0	0	0	115.7	D152 L153 I319	G150-D152 PolarHBondContact O-N 3.07Å; G150-L153 WeakPolarHBondContact O-CB 3.32Å; G150-L153 WeakPolarHBondContact O-CG 3.45Å; G150-L153 PolarHBondContact O-N 2.84Å; G150-I319 WeakPolarHBondContact O-CB 3.34Å
151	E	96.4	Very high	95.3	Very high	32 Å²	32	49.3 Å²	49.3	15%	0.15	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.2	-178.9	71.8	172.7	171	0	0	115.6	R145 M146 G147 V148 P149 V156	R145-E151 IonicContact CZ-OE1 3.09Å; R145-E151 VanDerWaalsContact NE-CD 3.28Å; R145-E151 IonicContact NE-OE1 2.73Å; R145-E151 PolarHBondContact NE-OE1 3.01Å; R145-E151 IonicContact NE-OE2 2.83Å; R145-E151 IonicContact NH2-OE1 2.73Å; R145-E151 PolarHBondContact NH2-OE1 3.5Å; M146-E151 WeakPolarHBondContact CA-OE2 3.41Å; M146-E151 WeakPolarHBondContact CB-OE2 3.36Å; M146-E151 HydrophobicContact CE-CB 3.49Å; M146-E151 VanDerWaalsContact CE-CB 3.49Å; M146-E151 PolarHBondContact N-OE2 2.95Å; G147-E151 PolarHBondContact N-OE2 2.55Å; V148-E151 HydrophobicContact CG2-CB 4.13Å; V148-E151 WeakPolarHBondContact O-CB 3.32Å; V148-E151 WeakPolarHBondContact O-CG 3.22Å; V148-E151 PolarHBondContact O-N 2.81Å; P149-E151 VanDerWaalsContact C-N 3.32Å; P149-E151 PolarHBondContact O-N 2.89Å; E151-V156 WeakPolarHBondContact O-CG1 3.26Å
152	D	95.4	Very high	95.6	Very high	119 Å²	119	46.4 Å²	46.4	64%	0.636	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	10.4	175.4	-62.3	-66.5	0	0	0	113.2	R145 G150	R145-D152 IonicContact CZ-OD1 3.69Å; R145-D152 VanDerWaalsContact CZ-OD1 3.31Å; R145-D152 IonicContact CZ-OD2 3.62Å; R145-D152 IonicContact NH1-OD1 3.56Å; R145-D152 PolarHBondContact NH1-OD1 2.82Å; R145-D152 IonicContact NH1-OD2 2.96Å; R145-D152 VanDerWaalsContact NH2-CG 3.35Å; R145-D152 IonicContact NH2-OD1 3.18Å; R145-D152 PolarHBondContact NH2-OD1 2.84Å; R145-D152 IonicContact NH2-OD2 2.7Å; R145-D152 PolarHBondContact NH2-OD2 2.62Å; G150-D152 PolarHBondContact O-N 3.07Å
153	L	95.9	Very high	96	Very high	35 Å²	35	46.3 Å²	46.3	18%	0.183	26%	0.257	C	S	.	.	S	Bend	trans	-68	144.8	177.8	-77.1	170.5	0	0	0	112.3	G150 G155 V156 I319 A321	G150-L153 WeakPolarHBondContact O-CB 3.32Å; G150-L153 WeakPolarHBondContact O-CG 3.45Å; G150-L153 PolarHBondContact O-N 2.84Å; L153-G155 PolarHBondContact O-N 2.89Å; L153-V156 HydrophobicContact CB-CG2 4.18Å; L153-V156 WeakPolarHBondContact O-CB 3.42Å; L153-V156 WeakPolarHBondContact O-CG2 3.38Å; L153-V156 PolarHBondContact O-N 2.85Å; L153-I319 HydrophobicContact CD1-CB 4.24Å; L153-I319 HydrophobicContact CD1-CG2 3.91Å; L153-A321 HydrophobicContact CD1-CB 3.99Å; L153-A321 HydrophobicContact CD2-CB 4.49Å
154	P	96.3	Very high	96.3	Very high	79 Å²	79	44.1 Å²	44.1	51%	0.513	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	131.4	166.4	-25.2	33.7	0	0	0	111.4	S326 R327 T328	P154-S326 VanDerWaalsContact CD-O 3.32Å; P154-S326 WeakPolarHBondContact CD-O 3.3Å; P154-R327 HydrophobicContact CB-CB 4.1Å; P154-T328 WeakPolarHBondContact O-CB 3.1Å; P154-T328 PolarHBondContact O-N 3.04Å; P154-T328 PolarHBondContact O-OG1 2.93Å
155	G	96	Very high	96.6	Very high	4 Å²	4	39.2 Å²	39.2	4%	0.041	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-10.3	-170.2	0	0	0	0	0	114.3	L153 L360 V361	L153-G155 PolarHBondContact O-N 2.89Å; G155-L360 WeakPolarHBondContact O-CA 3.39Å; G155-V361 PolarHBondContact O-N 3.26Å
156	V	97.9	Very high	96.9	Very high	20 Å²	20	32.1 Å²	32.1	12%	0.121	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.1	168.8	-169.3	0	0	0	0	110.2	M146 E151 L153 I319 T328 V361	M146-V156 HydrophobicContact CE-CG1 3.67Å; E151-V156 WeakPolarHBondContact O-CG1 3.26Å; L153-V156 HydrophobicContact CB-CG2 4.18Å; L153-V156 WeakPolarHBondContact O-CB 3.42Å; L153-V156 WeakPolarHBondContact O-CG2 3.38Å; L153-V156 PolarHBondContact O-N 2.85Å; V156-I319 HydrophobicContact CG2-CB 4.44Å; V156-I319 HydrophobicContact CG2-CG1 4.09Å; V156-I319 HydrophobicContact CG2-CG2 3.76Å; V156-T328 WeakPolarHBondContact CG2-OG1 3.45Å; V156-V361 CarbonylContact C-O 3.58Å; V156-V361 WeakPolarHBondContact CA-O 3.34Å; V156-V361 HydrophobicContact CG1-CG1 4.47Å; V156-V361 HydrophobicContact CG2-CB 4.42Å
157	Y	97.6	Very high	97.1	Very high	41 Å²	41	30.5 Å²	30.5	16%	0.161	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156.8	178.1	-55.6	-73.3	0	0	0	111.4	L175 P177 L360 V361 I362 S363	Y157-L175 HydrophobicContact CD1-CD1 3.74Å; Y157-L175 HydrophobicContact CD1-CD2 4.45Å; Y157-L175 HydrophobicContact CD1-CG 4.45Å; Y157-L175 HydrophobicContact CE1-CD1 3.77Å; Y157-L175 HydrophobicContact CE1-CG 4.45Å; Y157-P177 HydrophobicContact CE2-CB 4.01Å; Y157-L360 HydrophobicContact CD2-CD1 3.46Å; Y157-L360 VanDerWaalsContact CD2-CD1 3.46Å; Y157-L360 HydrophobicContact CE2-CD1 3.51Å; Y157-V361 PolarHBondContact N-O 3.41Å; Y157-I362 CarbonylContact O-C 3.58Å; Y157-I362 WeakPolarHBondContact O-CA 3.42Å; Y157-S363 PolarHBondContact O-N 3.44Å
158	S	97.4	Very high	97.3	Very high	17 Å²	17	27.4 Å²	27.4	12%	0.119	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	148.7	162.3	88.5	0	0	0	0	109.7	N143 K160 D161 F162	N143-S158 PolarHBondContact ND2-OG 3.24Å; N143-S158 PolarHBondContact OD1-OG 2.68Å; S158-K160 PolarHBondContact O-N 3.27Å; S158-K160 WeakPolarHBondContact OG-CB 3.46Å; S158-K160 PolarHBondContact OG-N 2.84Å; S158-D161 WeakPolarHBondContact CB-OD2 3.32Å; S158-D161 PolarHBondContact O-N 3.07Å; S158-D161 PolarHBondContact OG-N 3.03Å; S158-D161 PolarHBondContact OG-OD2 3.48Å; S158-F162 PolarHBondContact O-N 2.79Å; S158-F162 VanDerWaalsContact O-N 3.15Å
159	A	97.3	Very high	97.3	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-33.2	172.6	0	0	0	0	0	111.4	D161 V163 V192 V196 I362 S363	A159-D161 VanDerWaalsContact C-N 3.35Å; A159-D161 PolarHBondContact O-N 3.1Å; A159-V163 WeakPolarHBondContact O-CB 3.3Å; A159-V163 WeakPolarHBondContact O-CG2 3.23Å; A159-V163 PolarHBondContact O-N 2.83Å; A159-V192 HydrophobicContact CB-CG1 3.8Å; A159-V196 HydrophobicContact CB-CG2 4.38Å; A159-I362 HydrophobicContact CB-CG2 3.79Å; A159-S363 WeakPolarHBondContact CB-O 3.24Å; A159-S363 PolarHBondContact N-O 2.75Å
160	K	95.6	Very high	97.4	Very high	34 Å²	34	24.2 Å²	24.2	15%	0.148	14%	0.139	C	C	.	.	H	α-helix	trans	-54.9	-51.1	174.1	178	-173.9	164.9	-131.9	0	111.5	E141 N143 S158 V163 G164 Y367	E141-K160 WeakPolarHBondContact O-CD 3.46Å; E141-K160 WeakPolarHBondContact O-CE 3.39Å; E141-K160 PolarHBondContact O-NZ 3.47Å; N143-K160 WeakPolarHBondContact OD1-CB 3.31Å; N143-K160 VanDerWaalsContact OD1-CD 3.3Å; N143-K160 WeakPolarHBondContact OD1-CD 3.42Å; S158-K160 PolarHBondContact O-N 3.27Å; S158-K160 WeakPolarHBondContact OG-CB 3.46Å; S158-K160 PolarHBondContact OG-N 2.84Å; K160-V163 PolarHBondContact O-N 2.94Å; K160-G164 PolarHBondContact O-N 2.85Å; K160-Y367 HydrophobicContact CB-CD1 4.2Å; K160-Y367 HydrophobicContact CB-CE1 3.54Å; K160-Y367 HydrophobicContact CD-CD1 4.21Å; K160-Y367 HydrophobicContact CD-CE1 4.14Å; K160-Y367 HydrophobicContact CG-CD1 4.32Å; K160-Y367 HydrophobicContact CG-CE1 3.75Å
161	D	96.8	Very high	97.4	Very high	40 Å²	40	27 Å²	27	21%	0.214	15%	0.154	C	C	.	.	H	α-helix	trans	-77.9	-33.5	-169	-51.3	-44.3	0	0	0	110.4	N143 S158 A159 G164 W165	N143-D161 PolarHBondContact ND2-OD2 2.75Å; S158-D161 WeakPolarHBondContact CB-OD2 3.32Å; S158-D161 PolarHBondContact O-N 3.07Å; S158-D161 PolarHBondContact OG-N 3.03Å; S158-D161 PolarHBondContact OG-OD2 3.48Å; A159-D161 VanDerWaalsContact C-N 3.35Å; A159-D161 PolarHBondContact O-N 3.1Å; D161-G164 PolarHBondContact O-N 3.04Å; D161-W165 WeakPolarHBondContact O-CB 3.48Å; D161-W165 PolarHBondContact O-N 3.02Å
162	F	98.5	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64	-42.9	169.7	-166.8	-87.3	0	0	0	112.3	S158 W165 Y166 P177 L179 V196 L200 I362	S158-F162 PolarHBondContact O-N 2.79Å; S158-F162 VanDerWaalsContact O-N 3.15Å; F162-W165 HydrophobicContact CD2-CE3 4.34Å; F162-W165 HydrophobicContact CE1-CE3 4.44Å; F162-W165 HydrophobicContact CE1-CZ3 4.2Å; F162-W165 HydrophobicContact CE2-CE3 4.18Å; F162-W165 AromaticContact CE2-CZ3 3.9Å; F162-W165 HydrophobicContact CE2-CZ3 3.9Å; F162-W165 HydrophobicContact CZ-CE3 4.22Å; F162-W165 AromaticContact CZ-CZ3 3.72Å; F162-W165 HydrophobicContact CZ-CZ3 3.72Å; F162-W165 WeakPolarHBondContact O-CB 3.39Å; F162-W165 PolarHBondContact O-N 2.83Å; F162-Y166 AromaticContact CD1-CD1 3.89Å; F162-Y166 HydrophobicContact CD1-CD1 3.89Å; F162-Y166 AromaticContact CD1-CE1 4Å; F162-Y166 HydrophobicContact CD1-CE1 4Å; F162-Y166 AromaticContact CE1-CD1 3.97Å; F162-Y166 HydrophobicContact CE1-CD1 3.97Å; F162-Y166 HydrophobicContact CE1-CE1 4.23Å; F162-Y166 WeakPolarHBondContact O-CD1 3.16Å; F162-Y166 PolarHBondContact O-N 2.78Å; F162-P177 HydrophobicContact CD2-CB 4.21Å; F162-P177 HydrophobicContact CD2-CG 4.32Å; F162-P177 HydrophobicContact CE2-CB 3.85Å; F162-P177 HydrophobicContact CE2-CG 3.86Å; F162-L179 HydrophobicContact CE2-CD2 4.29Å; F162-V196 HydrophobicContact CD1-CG1 3.97Å; F162-V196 HydrophobicContact CD1-CG2 4.19Å; F162-V196 HydrophobicContact CE1-CG1 4.09Å; F162-L200 HydrophobicContact CE1-CD2 4.43Å; F162-L200 HydrophobicContact CE1-CG 4.42Å; F162-L200 HydrophobicContact CZ-CD2 3.76Å; F162-L200 HydrophobicContact CZ-CG 4.21Å; F162-I362 HydrophobicContact CD1-CD1 4.26Å; F162-I362 HydrophobicContact CD2-CD1 3.91Å; F162-I362 HydrophobicContact CE1-CD1 4.45Å; F162-I362 HydrophobicContact CE2-CD1 4.11Å; F162-I362 HydrophobicContact CG-CD1 3.99Å; F162-I362 HydrophobicContact CZ-CD1 4.38Å
163	V	98.6	Very high	97.4	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.03	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-44.7	173.4	171.2	0	0	0	0	110.9	G86 A159 K160 W165 Y166 N167 V192 V196	G86-V163 VanDerWaalsContact O-CG1 3.29Å; G86-V163 WeakPolarHBondContact O-CG1 3.4Å; A159-V163 WeakPolarHBondContact O-CB 3.3Å; A159-V163 WeakPolarHBondContact O-CG2 3.23Å; A159-V163 PolarHBondContact O-N 2.83Å; K160-V163 PolarHBondContact O-N 2.94Å; V163-W165 VanDerWaalsContact C-N 3.32Å; V163-W165 PolarHBondContact O-N 2.84Å; V163-Y166 HydrophobicContact CB-CE1 4.22Å; V163-Y166 HydrophobicContact CG1-CE2 4.16Å; V163-Y166 HydrophobicContact CG2-CE1 3.98Å; V163-Y166 WeakPolarHBondContact CG2-OH 3.47Å; V163-Y166 PolarHBondContact O-N 2.76Å; V163-N167 VanDerWaalsContact O-CB 3.26Å; V163-N167 WeakPolarHBondContact O-CB 3.39Å; V163-N167 PolarHBondContact O-N 3.32Å; V163-V192 HydrophobicContact CG2-CG1 4.09Å; V163-V196 HydrophobicContact CG2-CG2 3.79Å
164	G	98.4	Very high	97.4	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-41.1	177.3	0	0	0	0	0	112.1	K160 D161 N167 G168 L169	K160-G164 PolarHBondContact O-N 2.85Å; D161-G164 PolarHBondContact O-N 3.04Å; G164-N167 CarbonylContact O-C 3.58Å; G164-N167 PolarHBondContact O-N 3.44Å; G164-G168 PolarHBondContact O-N 2.74Å; G164-L169 WeakPolarHBondContact O-CB 3.36Å; G164-L169 PolarHBondContact O-N 3.09Å
165	W	98.6	Very high	97.4	Very high	13 Å²	13	27.5 Å²	27.5	5%	0.049	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-55.7	175.2	165.5	73.9	0	0	0	112.4	D161 F162 V163 N167 G168 C172 L175 P177 L179 T213 A216 A219	D161-W165 WeakPolarHBondContact O-CB 3.48Å; D161-W165 PolarHBondContact O-N 3.02Å; F162-W165 HydrophobicContact CD2-CE3 4.34Å; F162-W165 HydrophobicContact CE1-CE3 4.44Å; F162-W165 HydrophobicContact CE1-CZ3 4.2Å; F162-W165 HydrophobicContact CE2-CE3 4.18Å; F162-W165 AromaticContact CE2-CZ3 3.9Å; F162-W165 HydrophobicContact CE2-CZ3 3.9Å; F162-W165 HydrophobicContact CZ-CE3 4.22Å; F162-W165 AromaticContact CZ-CZ3 3.72Å; F162-W165 HydrophobicContact CZ-CZ3 3.72Å; F162-W165 WeakPolarHBondContact O-CB 3.39Å; F162-W165 PolarHBondContact O-N 2.83Å; V163-W165 VanDerWaalsContact C-N 3.32Å; V163-W165 PolarHBondContact O-N 2.84Å; W165-N167 VanDerWaalsContact C-N 3.27Å; W165-N167 PolarHBondContact O-N 2.95Å; W165-G168 PolarHBondContact O-N 2.88Å; W165-C172 HydrophobicContact CB-CB 4.23Å; W165-L175 HydrophobicContact CB-CB 4.04Å; W165-L175 HydrophobicContact CB-CD2 3.76Å; W165-L175 HydrophobicContact CB-CG 4.49Å; W165-L175 HydrophobicContact CG-CB 4.08Å; W165-L175 HydrophobicContact CG-CD2 4.18Å; W165-L175 PolarHBondContact NE1-O 2.94Å; W165-P177 HydrophobicContact CD2-CG 4.14Å; W165-P177 HydrophobicContact CE3-CG 4.06Å; W165-P177 HydrophobicContact CH2-CG 3.59Å; W165-P177 HydrophobicContact CZ2-CG 3.64Å; W165-P177 HydrophobicContact CZ3-CG 3.8Å; W165-L179 HydrophobicContact CH2-CD1 4.38Å; W165-T213 PolarHBondContact O-OG1 3.43Å; W165-A216 HydrophobicContact CD2-CB 4.08Å; W165-A216 HydrophobicContact CE3-CB 4.14Å; W165-A216 HydrophobicContact CH2-CB 3.78Å; W165-A216 HydrophobicContact CZ2-CB 3.72Å; W165-A216 HydrophobicContact CZ3-CB 3.99Å; W165-A219 HydrophobicContact CH2-CB 3.89Å; W165-A219 HydrophobicContact CZ2-CB 3.68Å
166	Y	98.8	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71	-22.1	-179.1	71.3	-124.1	0	0	0	113.5	P89 F162 V163 I199 I212 T213	P89-Y166 VanDerWaalsContact CD-CE2 3.45Å; P89-Y166 HydrophobicContact CG-CD2 4.18Å; P89-Y166 HydrophobicContact CG-CE2 4.32Å; F162-Y166 AromaticContact CD1-CD1 3.89Å; F162-Y166 HydrophobicContact CD1-CD1 3.89Å; F162-Y166 AromaticContact CD1-CE1 4Å; F162-Y166 HydrophobicContact CD1-CE1 4Å; F162-Y166 AromaticContact CE1-CD1 3.97Å; F162-Y166 HydrophobicContact CE1-CD1 3.97Å; F162-Y166 HydrophobicContact CE1-CE1 4.23Å; F162-Y166 WeakPolarHBondContact O-CD1 3.16Å; F162-Y166 PolarHBondContact O-N 2.78Å; V163-Y166 HydrophobicContact CB-CE1 4.22Å; V163-Y166 HydrophobicContact CG1-CE2 4.16Å; V163-Y166 HydrophobicContact CG2-CE1 3.98Å; V163-Y166 WeakPolarHBondContact CG2-OH 3.47Å; V163-Y166 PolarHBondContact O-N 2.76Å; Y166-I199 HydrophobicContact CD1-CB 4.5Å; Y166-I199 HydrophobicContact CD1-CG1 4.45Å; Y166-I199 HydrophobicContact CD1-CG2 3.95Å; Y166-I199 HydrophobicContact CE1-CB 4.21Å; Y166-I199 HydrophobicContact CE1-CG1 3.95Å; Y166-I199 HydrophobicContact CE1-CG2 4.16Å; Y166-I199 HydrophobicContact CE2-CG1 4.3Å; Y166-I199 HydrophobicContact CG-CG2 4.38Å; Y166-I212 WeakPolarHBondContact O-CG1 3.26Å; Y166-T213 PolarHBondContact O-N 2.87Å
167	N	98.8	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-93	-3.4	175.7	-84	-37.3	0	0	0	114.6	F85 G86 V87 V163 G164 W165 K484	F85-N167 VanDerWaalsContact C-ND2 3.34Å; F85-N167 VanDerWaalsContact O-CB 3.32Å; F85-N167 WeakPolarHBondContact O-CB 3.43Å; F85-N167 PolarHBondContact O-ND2 3.16Å; G86-N167 PolarHBondContact O-ND2 2.8Å; V87-N167 PolarHBondContact O-ND2 2.82Å; V87-N167 PolarHBondContact O-OD1 2.7Å; V163-N167 VanDerWaalsContact O-CB 3.26Å; V163-N167 WeakPolarHBondContact O-CB 3.39Å; V163-N167 PolarHBondContact O-N 3.32Å; G164-N167 CarbonylContact O-C 3.58Å; G164-N167 PolarHBondContact O-N 3.44Å; W165-N167 VanDerWaalsContact C-N 3.27Å; W165-N167 PolarHBondContact O-N 2.95Å; N167-K484 WeakPolarHBondContact O-CD 3.28Å; N167-K484 WeakPolarHBondContact O-CE 3.22Å; N167-K484 PolarHBondContact O-NZ 2.78Å
168	G	98.4	Very high	97.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	30.5	175.7	0	0	0	0	0	115.8	F85 G164 W165 P170 T213	F85-G168 WeakPolarHBondContact CE1-O 3.34Å; G164-G168 PolarHBondContact O-N 2.74Å; W165-G168 PolarHBondContact O-N 2.88Å; G168-P170 WeakPolarHBondContact O-CD 3.44Å; G168-T213 VanDerWaalsContact N-CG2 3.28Å
169	L	98.3	Very high	97.2	Very high	19 Å²	19	35.2 Å²	35.2	10%	0.099	18%	0.175	C	C	.	.			trans	-65.5	121.1	168.6	-176.4	64.8	0	0	0	109.2	L76 F85 G164 S171 C172 R173	L76-L169 HydrophobicContact CD1-CD1 4.06Å; F85-L169 HydrophobicContact CB-CB 4.4Å; F85-L169 HydrophobicContact CB-CD1 4.19Å; F85-L169 HydrophobicContact CD1-CB 3.92Å; F85-L169 HydrophobicContact CD1-CD1 4.01Å; F85-L169 HydrophobicContact CD2-CD1 3.97Å; F85-L169 HydrophobicContact CE1-CD1 4.33Å; F85-L169 HydrophobicContact CE2-CD1 4.3Å; F85-L169 HydrophobicContact CG-CB 4.31Å; F85-L169 HydrophobicContact CG-CD1 3.8Å; F85-L169 HydrophobicContact CZ-CD1 4.44Å; G164-L169 WeakPolarHBondContact O-CB 3.36Å; G164-L169 PolarHBondContact O-N 3.09Å; L169-S171 VanDerWaalsContact C-N 3.28Å; L169-S171 PolarHBondContact O-N 3.4Å; L169-S171 VanDerWaalsContact O-N 3.12Å; L169-C172 HydrophobicContact CB-CB 4.45Å; L169-C172 PolarHBondContact O-N 2.81Å; L169-R173 PolarHBondContact O-N 2.94Å
170	P	98.2	Very high	97.2	Very high	16 Å²	16	37.9 Å²	37.9	10%	0.104	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.2	-31.5	-169.6	-30.4	37.5	0	0	0	115.6	G168 C172 R173 L486 V488 M491	G168-P170 WeakPolarHBondContact O-CD 3.44Å; P170-C172 PolarHBondContact O-N 2.97Å; P170-R173 WeakPolarHBondContact O-CG 3.11Å; P170-R173 PolarHBondContact O-N 2.61Å; P170-L486 WeakPolarHBondContact CA-O 3.45Å; P170-V488 HydrophobicContact CB-CG2 4.06Å; P170-V488 HydrophobicContact CG-CG2 4.22Å; P170-M491 HydrophobicContact CG-CE 3.74Å; P170-M491 HydrophobicContact CG-SD 4.42Å
171	S	96.4	Very high	97.2	Very high	87 Å²	87	37.2 Å²	37.2	61%	0.608	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-71.6	-13.4	176.1	50.1	0	0	0	0	114.2	L169	L169-S171 VanDerWaalsContact C-N 3.28Å; L169-S171 PolarHBondContact O-N 3.4Å; L169-S171 VanDerWaalsContact O-N 3.12Å
172	C	97.1	Very high	97.3	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.054	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-108.7	3.1	178.4	-57.8	0	0	0	0	112.8	W165 L169 P170 E174 L175	W165-C172 HydrophobicContact CB-CB 4.23Å; L169-C172 HydrophobicContact CB-CB 4.45Å; L169-C172 PolarHBondContact O-N 2.81Å; P170-C172 PolarHBondContact O-N 2.97Å; C172-E174 VanDerWaalsContact C-N 3.25Å; C172-E174 PolarHBondContact O-N 3.28Å; C172-L175 WeakPolarHBondContact O-CB 3.48Å; C172-L175 PolarHBondContact O-N 2.81Å; C172-L175 VanDerWaalsContact O-N 3.09Å
173	R	95	Very high	97.3	Very high	120 Å²	120	42 Å²	42	45%	0.453	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.4	-176.5	81.1	-178.4	-159.2	-173.5	3.2	113.4	L169 P170 L175 L486	L169-R173 PolarHBondContact O-N 2.94Å; P170-R173 WeakPolarHBondContact O-CG 3.11Å; P170-R173 PolarHBondContact O-N 2.61Å; R173-L175 VanDerWaalsContact C-N 3.29Å; R173-L486 HydrophobicContact CB-CB 4.29Å; R173-L486 WeakPolarHBondContact CD-O 3.4Å
174	E	95.6	Very high	97.3	Very high	112 Å²	112	41.8 Å²	41.8	52%	0.523	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.1	-179.7	-57.9	-59.6	158.4	0	0	112.7	C172 K176	C172-E174 VanDerWaalsContact C-N 3.25Å; C172-E174 PolarHBondContact O-N 3.28Å; E174-K176 PolarHBondContact O-N 2.87Å
175	L	95.8	Very high	97.3	Very high	37 Å²	37	41.8 Å²	41.8	19%	0.194	21%	0.214	C	C	.	.			trans	-66	124.5	176	-164.5	73.3	0	0	0	109	Y157 W165 C172 R173 P177	Y157-L175 HydrophobicContact CD1-CD1 3.74Å; Y157-L175 HydrophobicContact CD1-CD2 4.45Å; Y157-L175 HydrophobicContact CD1-CG 4.45Å; Y157-L175 HydrophobicContact CE1-CD1 3.77Å; Y157-L175 HydrophobicContact CE1-CG 4.45Å; W165-L175 HydrophobicContact CB-CB 4.04Å; W165-L175 HydrophobicContact CB-CD2 3.76Å; W165-L175 HydrophobicContact CB-CG 4.49Å; W165-L175 HydrophobicContact CG-CB 4.08Å; W165-L175 HydrophobicContact CG-CD2 4.18Å; W165-L175 PolarHBondContact NE1-O 2.94Å; C172-L175 WeakPolarHBondContact O-CB 3.48Å; C172-L175 PolarHBondContact O-N 2.81Å; C172-L175 VanDerWaalsContact O-N 3.09Å; R173-L175 VanDerWaalsContact C-N 3.29Å; L175-P177 WeakPolarHBondContact O-CD 3.14Å
176	K	95.1	Very high	97.3	Very high	165 Å²	165	41.1 Å²	41.1	72%	0.717	21%	0.212	S	C	*	.			trans	-123.4	77	178.8	-67	172.3	-170.8	176.5	0	107.9	E174 D178	E174-K176 PolarHBondContact O-N 2.87Å; K176-D178 PolarHBondContact O-N 3.41Å
177	P	96.4	Very high	97.3	Very high	10 Å²	10	41.3 Å²	41.3	7%	0.065	21%	0.212	C	C	.	.			trans	-65.6	128	-178.9	27.6	-32.4	0	0	0	110	Y157 F162 W165 L175 L179	Y157-P177 HydrophobicContact CE2-CB 4.01Å; F162-P177 HydrophobicContact CD2-CB 4.21Å; F162-P177 HydrophobicContact CD2-CG 4.32Å; F162-P177 HydrophobicContact CE2-CB 3.85Å; F162-P177 HydrophobicContact CE2-CG 3.86Å; W165-P177 HydrophobicContact CD2-CG 4.14Å; W165-P177 HydrophobicContact CE3-CG 4.06Å; W165-P177 HydrophobicContact CH2-CG 3.59Å; W165-P177 HydrophobicContact CZ2-CG 3.64Å; W165-P177 HydrophobicContact CZ3-CG 3.8Å; L175-P177 WeakPolarHBondContact O-CD 3.14Å; P177-L179 HydrophobicContact CB-CD2 4.1Å; P177-L179 HydrophobicContact CG-CD2 4.42Å; P177-L179 PolarHBondContact O-N 2.88Å; P177-L179 VanDerWaalsContact O-N 3.13Å
178	D	95.3	Very high	97.2	Very high	60 Å²	60	42.1 Å²	42.1	32%	0.321	22%	0.221	S	C	.	.			trans	-70.8	105.5	171.8	-179	2.4	0	0	0	108.9	K176 S180 R327	K176-D178 PolarHBondContact O-N 3.41Å; D178-S180 WeakPolarHBondContact OD1-CB 3.49Å; D178-S180 PolarHBondContact OD1-N 2.89Å; D178-S180 PolarHBondContact OD1-OG 2.98Å; D178-S180 PolarHBondContact OD2-OG 3.45Å; D178-R327 IonicContact OD2-NH1 2.66Å; D178-R327 PolarHBondContact OD2-NH1 2.89Å; D178-R327 VanDerWaalsContact OD2-NH1 3.13Å
179	L	98.1	Very high	97.2	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.047	22%	0.224	C	C	.	.			trans	-98.7	14	177.5	-55.7	-172.9	0	0	0	112.6	F162 W165 P177 C181 L200 A219 L220 R224 L360	F162-L179 HydrophobicContact CE2-CD2 4.29Å; W165-L179 HydrophobicContact CH2-CD1 4.38Å; P177-L179 HydrophobicContact CB-CD2 4.1Å; P177-L179 HydrophobicContact CG-CD2 4.42Å; P177-L179 PolarHBondContact O-N 2.88Å; P177-L179 VanDerWaalsContact O-N 3.13Å; L179-C181 VanDerWaalsContact C-N 3.25Å; L179-C181 PolarHBondContact O-N 3.38Å; L179-L200 HydrophobicContact CD1-CD2 4.49Å; L179-L200 HydrophobicContact CD2-CD2 3.96Å; L179-A219 HydrophobicContact CD1-CB 4.48Å; L179-L220 HydrophobicContact CD1-CD2 3.92Å; L179-L220 HydrophobicContact CD1-CG 4.39Å; L179-R224 PolarHBondContact O-N 3.37Å; L179-L360 HydrophobicContact CD2-CD2 3.68Å
180	S	97.1	Very high	97.1	Very high	58 Å²	58	42.6 Å²	42.6	41%	0.406	23%	0.227	S	C	.	.			trans	-75.8	-8.6	-179.6	71.6	0	0	0	0	114.5	D178 R224	D178-S180 WeakPolarHBondContact OD1-CB 3.49Å; D178-S180 PolarHBondContact OD1-N 2.89Å; D178-S180 PolarHBondContact OD1-OG 2.98Å; D178-S180 PolarHBondContact OD2-OG 3.45Å; S180-R224 WeakPolarHBondContact O-CB 3.15Å; S180-R224 WeakPolarHBondContact O-CD 3.45Å
181	C	96.6	Very high	97	Very high	20 Å²	20	43.4 Å²	43.4	14%	0.135	23%	0.23	C	C	.	.	S	Bend	trans	-83	152.4	177.2	69.4	0	0	0	0	113.1	L179 R224 V225	L179-C181 VanDerWaalsContact C-N 3.25Å; L179-C181 PolarHBondContact O-N 3.38Å; C181-R224 CarbonylContact O-C 3.59Å; C181-V225 WeakPolarHBondContact O-CA 3.11Å; C181-V225 WeakPolarHBondContact O-CG2 3.49Å; C181-V225 PolarHBondContact O-N 3.21Å
182	E	97.8	Very high	97.1	Very high	111 Å²	111	41 Å²	41	52%	0.519	21%	0.211	S	C	.	.	S	Bend	trans	-80.9	-31.9	-179.4	-62.7	-177	168.6	0	0	113.9	Q226 K227	E182-Q226 PolarHBondContact O-N 3.35Å; E182-K227 PolarHBondContact O-N 3.25Å
183	T	98.6	Very high	97.2	Very high	30 Å²	30	40.6 Å²	40.6	18%	0.184	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.4	-176.9	-61.5	0	0	0	0	111.6	K227 L229 C358 G359	T183-K227 WeakPolarHBondContact CA-O 3.15Å; T183-K227 HydrophobicContact CG2-CB 4.34Å; T183-K227 HydrophobicContact CG2-CG 4.42Å; T183-L229 HydrophobicContact CG2-CD1 4.33Å; T183-C358 HydrophobicContact CG2-CB 4.07Å; T183-C358 WeakPolarHBondContact O-CA 3.48Å; T183-C358 VanDerWaalsContact O-CB 3.3Å; T183-C358 WeakPolarHBondContact O-CB 3.46Å; T183-G359 PolarHBondContact O-N 3.39Å
184	A	98.8	Very high	97.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.4	169.9	0	0	0	0	0	111	L200 V225 K227 V228 L229 L360	A184-L200 HydrophobicContact CB-CD1 4.18Å; A184-V225 HydrophobicContact CB-CG1 4.05Å; A184-K227 PolarHBondContact N-O 3.19Å; A184-V228 HydrophobicContact CB-CG2 4.34Å; A184-V228 WeakPolarHBondContact O-CA 3.3Å; A184-L229 PolarHBondContact O-N 3.29Å; A184-L360 CarbonylContact C-O 3.41Å; A184-L360 WeakPolarHBondContact CA-O 3.31Å; A184-L360 HydrophobicContact CB-CB 3.93Å; A184-L360 HydrophobicContact CB-CD2 3.81Å; A184-L360 HydrophobicContact CB-CG 4.06Å
185	V	98.9	Very high	97.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.1	176.2	171.8	0	0	0	0	109.3	L187 L229 V231 I331 V356 C358 L360 V361 I362	V185-L187 HydrophobicContact CG1-CD2 3.99Å; V185-L187 HydrophobicContact CG1-CG 4.4Å; V185-L229 CarbonylContact C-O 3.58Å; V185-L229 WeakPolarHBondContact CA-O 3.49Å; V185-L229 HydrophobicContact CG2-CB 4.3Å; V185-V231 HydrophobicContact CG1-CG2 3.67Å; V185-I331 HydrophobicContact CB-CG2 4.35Å; V185-I331 HydrophobicContact CG1-CG2 4.18Å; V185-I331 HydrophobicContact CG2-CG2 4Å; V185-V356 HydrophobicContact CG2-CG1 3.98Å; V185-C358 HydrophobicContact CG2-CB 3.81Å; V185-L360 PolarHBondContact N-O 2.9Å; V185-V361 HydrophobicContact CB-CG2 4.41Å; V185-V361 CarbonylContact O-C 3.56Å; V185-V361 WeakPolarHBondContact O-CA 3.43Å; V185-I362 PolarHBondContact O-N 2.78Å
186	I	98.9	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.3	175.5	-53.5	175	0	0	0	108.4	A193 V196 A197 V228 L229 I230 V231 I362	I186-A193 WeakPolarHBondContact CD1-O 3.5Å; I186-A193 HydrophobicContact CG2-CB 3.64Å; I186-V196 HydrophobicContact CD1-CB 4.02Å; I186-V196 HydrophobicContact CD1-CG1 3.68Å; I186-V196 HydrophobicContact CG1-CG1 4.33Å; I186-A197 HydrophobicContact CD1-CB 3.82Å; I186-V228 HydrophobicContact CD1-CG1 3.51Å; I186-V228 HydrophobicContact CG1-CG1 3.96Å; I186-L229 PolarHBondContact N-O 3.27Å; I186-I230 CarbonylContact O-C 3.56Å; I186-I230 WeakPolarHBondContact O-CA 3.4Å; I186-V231 PolarHBondContact O-N 3.33Å; I186-I362 CarbonylContact C-O 3.5Å; I186-I362 WeakPolarHBondContact CA-O 3.46Å; I186-I362 HydrophobicContact CG1-CB 4.38Å
187	L	98.6	Very high	97.8	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.8	-176.9	-59.8	170.4	0	0	0	110.2	M146 V185 V231 P316 I331 L333 V361 I362 S364 I365	M146-L187 HydrophobicContact CG-CD1 4.5Å; M146-L187 HydrophobicContact SD-CD1 3.22Å; M146-L187 WeakPolarHBondContact SD-CD1 3.36Å; V185-L187 HydrophobicContact CG1-CD2 3.99Å; V185-L187 HydrophobicContact CG1-CG 4.4Å; L187-V231 HydrophobicContact CD2-CB 3.96Å; L187-V231 HydrophobicContact CD2-CG1 4.2Å; L187-V231 HydrophobicContact CD2-CG2 4.49Å; L187-P316 HydrophobicContact CD1-CB 4.06Å; L187-P316 HydrophobicContact CD1-CG 4.18Å; L187-P316 HydrophobicContact CD2-CB 4.26Å; L187-P316 HydrophobicContact CD2-CG 4.44Å; L187-I331 HydrophobicContact CD1-CD1 3.96Å; L187-I331 HydrophobicContact CD2-CD1 3.92Å; L187-I331 HydrophobicContact CG-CD1 4.39Å; L187-L333 HydrophobicContact CD2-CD2 4.46Å; L187-V361 HydrophobicContact CD1-CG1 3.85Å; L187-V361 HydrophobicContact CG-CG1 4.35Å; L187-I362 PolarHBondContact N-O 3.37Å; L187-S364 CarbonylContact O-C 3.55Å; L187-S364 WeakPolarHBondContact O-CA 3.38Å; L187-S364 WeakPolarHBondContact O-CB 3.32Å; L187-S364 PolarHBondContact O-N 3.01Å; L187-I365 HydrophobicContact CB-CG2 4.14Å; L187-I365 WeakPolarHBondContact O-CG2 3.42Å; L187-I365 PolarHBondContact O-N 2.94Å
188	G	97.4	Very high	97.9	Very high	18 Å²	18	20.4 Å²	20.4	19%	0.186	12%	0.121	C	C	.	.	S	Bend	trans	106.6	146.6	-172.8	0	0	0	0	0	112.2	A193 I230 V231	G188-A193 WeakPolarHBondContact O-CB 3.35Å; G188-I230 WeakPolarHBondContact O-CG2 3.18Å; G188-V231 PolarHBondContact N-O 2.83Å
189	Q	97.3	Very high	98.1	Very high	15 Å²	15	17.6 Å²	17.6	7%	0.07	11%	0.106	C	C	.	.			trans	-121.7	47.9	-171.1	-64.9	174.7	-29.7	0	0	111.3	I230 G232 V239 A240 C241 F310 R311 F312	Q189-I230 HydrophobicContact CG-CG2 4.08Å; Q189-I230 PolarHBondContact NE2-O 3.36Å; Q189-G232 VanDerWaalsContact CD-CA 3.46Å; Q189-V239 HydrophobicContact CB-CB 4.42Å; Q189-V239 HydrophobicContact CB-CG1 4.22Å; Q189-A240 CarbonylContact O-C 3.58Å; Q189-A240 WeakPolarHBondContact O-CA 3.46Å; Q189-A240 PolarHBondContact O-N 3.43Å; Q189-C241 PolarHBondContact O-N 3.18Å; Q189-F310 HydrophobicContact CB-CD1 4.45Å; Q189-F310 HydrophobicContact CB-CE1 4.1Å; Q189-F310 HydrophobicContact CG-CD1 3.82Å; Q189-F310 HydrophobicContact CG-CE1 3.95Å; Q189-R311 PolarHBondContact NE2-O 3.07Å; Q189-F312 VanDerWaalsContact NE2-CD1 3.32Å; Q189-F312 VanDerWaalsContact NE2-CE1 3.26Å; Q189-F312 VanDerWaalsContact OE1-CE1 3.29Å
190	G	96.4	Very high	98.1	Very high	15 Å²	15	17.3 Å²	17.3	16%	0.155	10%	0.104	C	C	.	.	S	Bend	trans	-101.8	-180	176	0	0	0	0	0	113	V192 A193 L194	G190-V192 VanDerWaalsContact C-N 3.33Å; G190-V192 PolarHBondContact O-N 3.15Å; G190-A193 WeakPolarHBondContact O-CB 3.49Å; G190-A193 PolarHBondContact O-N 3.3Å; G190-A193 VanDerWaalsContact O-N 3.16Å; G190-L194 PolarHBondContact O-N 2.89Å
191	N	96.9	Very high	98.2	Very high	33 Å²	33	14.6 Å²	14.6	18%	0.176	9%	0.085	C	C	.	.	H	α-helix	trans	-57.7	-44.1	176.9	-72.9	-1.8	0	0	0	112.3	A193 L194 D195 C241 T242 E245	N191-A193 PolarHBondContact O-N 2.66Å; N191-L194 CarbonylContact O-C 3.53Å; N191-L194 WeakPolarHBondContact O-CA 3.47Å; N191-L194 WeakPolarHBondContact O-CB 3.17Å; N191-L194 PolarHBondContact O-N 2.95Å; N191-D195 PolarHBondContact O-N 2.95Å; N191-C241 WeakPolarHBondContact OD1-CA 3.2Å; N191-T242 PolarHBondContact ND2-OG1 2.77Å; N191-T242 PolarHBondContact OD1-N 3.11Å; N191-T242 PolarHBondContact OD1-OG1 2.99Å; N191-E245 HydrophobicContact CB-CG 4.25Å; N191-E245 PolarHBondContact ND2-OE1 3.04Å
192	V	97.7	Very high	98.3	Very high	35 Å²	35	13.8 Å²	13.8	21%	0.212	8%	0.08	C	C	.	.	H	α-helix	trans	-56.7	-35.8	177.9	-178.5	0	0	0	0	112.3	A159 V163 G190 D195 V196 Y367	A159-V192 HydrophobicContact CB-CG1 3.8Å; V163-V192 HydrophobicContact CG2-CG1 4.09Å; G190-V192 VanDerWaalsContact C-N 3.33Å; G190-V192 PolarHBondContact O-N 3.15Å; V192-D195 PolarHBondContact O-N 3.44Å; V192-V196 WeakPolarHBondContact O-CG2 3.3Å; V192-V196 PolarHBondContact O-N 3.42Å; V192-Y367 HydrophobicContact CG2-CE2 4.44Å
193	A	98.4	Very high	98.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.6	-36.7	176	0	0	0	0	0	112.3	I186 G188 G190 N191 A197 I230 S364	I186-A193 WeakPolarHBondContact CD1-O 3.5Å; I186-A193 HydrophobicContact CG2-CB 3.64Å; G188-A193 WeakPolarHBondContact O-CB 3.35Å; G190-A193 WeakPolarHBondContact O-CB 3.49Å; G190-A193 PolarHBondContact O-N 3.3Å; G190-A193 VanDerWaalsContact O-N 3.16Å; N191-A193 PolarHBondContact O-N 2.66Å; A193-A197 VanDerWaalsContact O-CB 3.31Å; A193-A197 WeakPolarHBondContact O-CB 3.15Å; A193-A197 PolarHBondContact O-N 3.19Å; A193-I230 HydrophobicContact CB-CG2 4.04Å; A193-S364 PolarHBondContact N-OG 2.93Å
194	L	98.6	Very high	98.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-71.3	-35.7	172.8	-66.2	178.8	0	0	0	112.1	G190 N191 A197 R198 I230 C241 E245 L246 M249 F310	G190-L194 PolarHBondContact O-N 2.89Å; N191-L194 CarbonylContact O-C 3.53Å; N191-L194 WeakPolarHBondContact O-CA 3.47Å; N191-L194 WeakPolarHBondContact O-CB 3.17Å; N191-L194 PolarHBondContact O-N 2.95Å; L194-A197 PolarHBondContact O-N 3.1Å; L194-R198 WeakPolarHBondContact O-CB 3.3Å; L194-R198 PolarHBondContact O-N 2.87Å; L194-I230 HydrophobicContact CD2-CD1 3.74Å; L194-C241 HydrophobicContact CD1-CB 3.5Å; L194-C241 VanDerWaalsContact CD1-CB 3.5Å; L194-C241 HydrophobicContact CG-CB 4.3Å; L194-E245 HydrophobicContact CD1-CB 3.82Å; L194-L246 HydrophobicContact CD1-CB 4.39Å; L194-M249 HydrophobicContact CD2-CB 4.24Å; L194-M249 HydrophobicContact CD2-CG 4.11Å; L194-F310 HydrophobicContact CD2-CZ 4.06Å
195	D	98.6	Very high	98.1	Very high	16 Å²	16	17.3 Å²	17.3	9%	0.086	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-49.3	175.3	-63.7	-33.2	0	0	0	110.7	A88 H91 N191 V192 A197 R198 I199	A88-D195 HydrophobicContact CB-CB 4.2Å; H91-D195 IonicContact CE1-OD1 2.75Å; H91-D195 PolarHBondContact CE1-OD1 2.96Å; H91-D195 IonicContact ND1-OD1 2.73Å; N191-D195 PolarHBondContact O-N 2.95Å; V192-D195 PolarHBondContact O-N 3.44Å; D195-A197 PolarHBondContact O-N 3.24Å; D195-R198 PolarHBondContact O-N 2.97Å; D195-R198 IonicContact OD1-CZ 2.73Å; D195-R198 VanDerWaalsContact OD1-CZ 3.23Å; D195-R198 IonicContact OD1-NH1 3.17Å; D195-R198 PolarHBondContact OD1-NH1 2.89Å; D195-R198 IonicContact OD1-NH2 2.78Å; D195-R198 PolarHBondContact OD1-NH2 3.46Å; D195-I199 WeakPolarHBondContact O-CG1 3.34Å; D195-I199 PolarHBondContact O-N 2.71Å
196	V	98.8	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-45.2	174.9	172.6	0	0	0	0	111.6	A159 F162 V163 I186 V192 R198 I199 L200 I362	A159-V196 HydrophobicContact CB-CG2 4.38Å; F162-V196 HydrophobicContact CD1-CG1 3.97Å; F162-V196 HydrophobicContact CD1-CG2 4.19Å; F162-V196 HydrophobicContact CE1-CG1 4.09Å; V163-V196 HydrophobicContact CG2-CG2 3.79Å; I186-V196 HydrophobicContact CD1-CB 4.02Å; I186-V196 HydrophobicContact CD1-CG1 3.68Å; I186-V196 HydrophobicContact CG1-CG1 4.33Å; V192-V196 WeakPolarHBondContact O-CG2 3.3Å; V192-V196 PolarHBondContact O-N 3.42Å; V196-R198 VanDerWaalsContact C-N 3.32Å; V196-R198 PolarHBondContact O-N 2.57Å; V196-I199 PolarHBondContact O-N 2.75Å; V196-L200 HydrophobicContact CG1-CD1 4.06Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 2.62Å; V196-I362 HydrophobicContact CG1-CD1 3.48Å; V196-I362 VanDerWaalsContact CG1-CD1 3.48Å; V196-I362 HydrophobicContact CG1-CG2 4.24Å
197	A	98.8	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-41.7	176.6	0	0	0	0	0	112.3	I186 A193 L194 D195 L201 V228 I230 M249	I186-A197 HydrophobicContact CD1-CB 3.82Å; A193-A197 VanDerWaalsContact O-CB 3.31Å; A193-A197 WeakPolarHBondContact O-CB 3.15Å; A193-A197 PolarHBondContact O-N 3.19Å; L194-A197 PolarHBondContact O-N 3.1Å; D195-A197 PolarHBondContact O-N 3.24Å; A197-L201 WeakPolarHBondContact O-CB 3.48Å; A197-L201 WeakPolarHBondContact O-CG 3.49Å; A197-L201 PolarHBondContact O-N 3.2Å; A197-L201 VanDerWaalsContact O-N 3.09Å; A197-V228 HydrophobicContact CB-CG1 3.76Å; A197-I230 HydrophobicContact CB-CD1 3.81Å; A197-I230 HydrophobicContact CB-CG1 4.48Å; A197-M249 HydrophobicContact CB-CE 3.73Å; A197-M249 HydrophobicContact CB-SD 4.1Å
198	R	98.7	Very high	97.9	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-43	-179.8	-170.3	171.6	70.2	-104.4	-8.8	110.9	D90 H91 L194 D195 V196 L201 S202 M249 L252	D90-R198 IonicContact OD1-CZ 3.69Å; D90-R198 IonicContact OD1-NE 3.76Å; D90-R198 PolarHBondContact OD1-NE 2.94Å; D90-R198 IonicContact OD1-NH2 3.77Å; D90-R198 PolarHBondContact OD1-NH2 3.32Å; D90-R198 WeakPolarHBondContact OD2-CD 3.44Å; D90-R198 IonicContact OD2-CZ 3.22Å; D90-R198 IonicContact OD2-NE 2.83Å; D90-R198 PolarHBondContact OD2-NE 3.17Å; D90-R198 IonicContact OD2-NH2 2.72Å; H91-R198 PolarHBondContact CE1-NH2 2.69Å; H91-R198 PolarHBondContact NE2-NH2 3.3Å; L194-R198 WeakPolarHBondContact O-CB 3.3Å; L194-R198 PolarHBondContact O-N 2.87Å; D195-R198 PolarHBondContact O-N 2.97Å; D195-R198 IonicContact OD1-CZ 2.73Å; D195-R198 VanDerWaalsContact OD1-CZ 3.23Å; D195-R198 IonicContact OD1-NH1 3.17Å; D195-R198 PolarHBondContact OD1-NH1 2.89Å; D195-R198 IonicContact OD1-NH2 2.78Å; D195-R198 PolarHBondContact OD1-NH2 3.46Å; V196-R198 VanDerWaalsContact C-N 3.32Å; V196-R198 PolarHBondContact O-N 2.57Å; R198-L201 PolarHBondContact O-N 3.13Å; R198-S202 WeakPolarHBondContact O-CB 3.4Å; R198-S202 PolarHBondContact O-N 2.89Å; R198-S202 PolarHBondContact O-OG 2.92Å; R198-M249 HydrophobicContact CB-SD 4.04Å; R198-L252 HydrophobicContact CB-CD2 4.45Å; R198-L252 HydrophobicContact CG-CD1 3.93Å; R198-L252 HydrophobicContact CG-CD2 4.03Å
199	I	98.8	Very high	97.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-43.7	176.1	-66.3	-60.5	0	0	0	111.8	P89 Y166 D195 V196 L201 L207 I212 L220	P89-I199 HydrophobicContact CG-CD1 3.78Å; Y166-I199 HydrophobicContact CD1-CB 4.5Å; Y166-I199 HydrophobicContact CD1-CG1 4.45Å; Y166-I199 HydrophobicContact CD1-CG2 3.95Å; Y166-I199 HydrophobicContact CE1-CB 4.21Å; Y166-I199 HydrophobicContact CE1-CG1 3.95Å; Y166-I199 HydrophobicContact CE1-CG2 4.16Å; Y166-I199 HydrophobicContact CE2-CG1 4.3Å; Y166-I199 HydrophobicContact CG-CG2 4.38Å; D195-I199 WeakPolarHBondContact O-CG1 3.34Å; D195-I199 PolarHBondContact O-N 2.71Å; V196-I199 PolarHBondContact O-N 2.75Å; I199-L201 VanDerWaalsContact C-N 3.31Å; I199-L201 PolarHBondContact O-N 2.7Å; I199-L207 HydrophobicContact CD1-CD2 3.74Å; I199-I212 HydrophobicContact CG2-CD1 4.37Å; I199-L220 HydrophobicContact CG2-CD1 3.7Å; I199-L220 HydrophobicContact CG2-CD2 4.44Å
200	L	98.8	Very high	98	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-35.4	176.1	-75.3	170.5	0	0	0	113.3	F162 L179 A184 V196 L220 V225 V228 K306 L360 I362	F162-L200 HydrophobicContact CE1-CD2 4.43Å; F162-L200 HydrophobicContact CE1-CG 4.42Å; F162-L200 HydrophobicContact CZ-CD2 3.76Å; F162-L200 HydrophobicContact CZ-CG 4.21Å; L179-L200 HydrophobicContact CD1-CD2 4.49Å; L179-L200 HydrophobicContact CD2-CD2 3.96Å; A184-L200 HydrophobicContact CB-CD1 4.18Å; V196-L200 HydrophobicContact CG1-CD1 4.06Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 2.62Å; L200-L220 HydrophobicContact CD2-CD2 4.39Å; L200-V225 HydrophobicContact CD2-CG2 4.46Å; L200-V228 HydrophobicContact CB-CG2 4.24Å; L200-V228 HydrophobicContact CD1-CG2 4.13Å; L200-K306 PolarHBondContact O-NZ 3.18Å; L200-K306 VanDerWaalsContact O-NZ 3.09Å; L200-L360 HydrophobicContact CD1-CD2 4.3Å; L200-L360 HydrophobicContact CD2-CD2 4.22Å; L200-I362 HydrophobicContact CD1-CD1 4.24Å
201	L	98.7	Very high	98.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-100.4	-15.9	-172.9	-60.9	-175.5	0	0	0	115.2	A197 R198 I199 V225 V228 M249 L252 T255 K306 W308	A197-L201 WeakPolarHBondContact O-CB 3.48Å; A197-L201 WeakPolarHBondContact O-CG 3.49Å; A197-L201 PolarHBondContact O-N 3.2Å; A197-L201 VanDerWaalsContact O-N 3.09Å; R198-L201 PolarHBondContact O-N 3.13Å; I199-L201 VanDerWaalsContact C-N 3.31Å; I199-L201 PolarHBondContact O-N 2.7Å; L201-V225 HydrophobicContact CD2-CG1 4.3Å; L201-V228 HydrophobicContact CD1-CB 4Å; L201-V228 HydrophobicContact CD1-CG2 3.88Å; L201-V228 HydrophobicContact CD2-CG2 3.85Å; L201-V228 HydrophobicContact CG-CB 4.44Å; L201-V228 HydrophobicContact CG-CG2 3.75Å; L201-M249 HydrophobicContact CD1-CE 3.92Å; L201-L252 HydrophobicContact CB-CD2 4.07Å; L201-T255 HydrophobicContact CB-CG2 3.93Å; L201-K306 HydrophobicContact CB-CD 4.14Å; L201-K306 HydrophobicContact CD2-CB 4.17Å; L201-K306 HydrophobicContact CD2-CD 3.86Å; L201-K306 HydrophobicContact CD2-CG 4.21Å; L201-K306 WeakPolarHBondContact O-CD 3.2Å; L201-K306 PolarHBondContact O-NZ 3.21Å; L201-W308 HydrophobicContact CD1-CB 3.73Å
202	S	98.4	Very high	98.2	Very high	4 Å²	4	29 Å²	29	3%	0.028	15%	0.147	C	C	.	.	S	Bend	trans	-59.4	144.3	-178.1	-73.9	0	0	0	0	113.3	R198	R198-S202 WeakPolarHBondContact O-CB 3.4Å; R198-S202 PolarHBondContact O-N 2.89Å; R198-S202 PolarHBondContact O-OG 2.92Å
203	P	97.4	Very high	98.2	Very high	46 Å²	46	27.4 Å²	27.4	30%	0.299	14%	0.137	S	C	.	.			trans	-61.6	136.4	164.4	-22.5	33.4	0	0	0	111.8	D205 I206 L207 P253	P203-D205 PolarHBondContact O-N 2.9Å; P203-D205 VanDerWaalsContact O-N 3.17Å; P203-I206 HydrophobicContact CB-CG1 4.49Å; P203-I206 HydrophobicContact CG-CD1 4.36Å; P203-I206 WeakPolarHBondContact O-CB 3.31Å; P203-I206 PolarHBondContact O-N 3.33Å; P203-L207 PolarHBondContact O-N 3.13Å; P203-P253 HydrophobicContact CG-CB 4.29Å
204	L	97.3	Very high	98.2	Very high	67 Å²	67	30.7 Å²	30.7	35%	0.351	15%	0.153	S	C	.	.	H	α-helix	trans	-58.8	-29.9	-179.5	-59.8	167.6	0	0	0	112.8	I206 L207 K208 L217 L220 A221	L204-I206 PolarHBondContact O-N 3.25Å; L204-L207 PolarHBondContact O-N 3.43Å; L204-K208 WeakPolarHBondContact O-CB 3.26Å; L204-K208 WeakPolarHBondContact O-CG 3.42Å; L204-K208 PolarHBondContact O-N 3.27Å; L204-L217 HydrophobicContact CD2-CD1 4.18Å; L204-L220 HydrophobicContact CD2-CB 4.13Å; L204-A221 HydrophobicContact CD1-CB 3.8Å; L204-A221 HydrophobicContact CD2-CB 4.31Å
205	D	96.4	Very high	98.1	Very high	101 Å²	101	33.6 Å²	33.6	54%	0.54	17%	0.171	S	C	.	.	H	α-helix	trans	-62.6	-21.7	176.7	-75.4	-36.7	0	0	0	114.5	P203 K208	P203-D205 PolarHBondContact O-N 2.9Å; P203-D205 VanDerWaalsContact O-N 3.17Å; D205-K208 VanDerWaalsContact OD1-CE 3.25Å; D205-K208 WeakPolarHBondContact OD1-CE 3.28Å; D205-K208 IonicContact OD1-NZ 3.84Å; D205-K208 PolarHBondContact OD1-NZ 3.06Å
206	I	96.6	Very high	98.1	Very high	70 Å²	70	32.8 Å²	32.8	36%	0.359	17%	0.167	S	C	.	.	H	α-helix	trans	-83	-55.2	171.2	-56.4	-177.1	0	0	0	108.6	P203 L204 K208 K209 P253	P203-I206 HydrophobicContact CB-CG1 4.49Å; P203-I206 HydrophobicContact CG-CD1 4.36Å; P203-I206 WeakPolarHBondContact O-CB 3.31Å; P203-I206 PolarHBondContact O-N 3.33Å; L204-I206 PolarHBondContact O-N 3.25Å; I206-K208 VanDerWaalsContact C-N 3.34Å; I206-K208 PolarHBondContact O-N 2.96Å; I206-K209 PolarHBondContact O-N 3.44Å; I206-P253 HydrophobicContact CD1-CG 4.3Å
207	L	98.2	Very high	98.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-34.8	-173.7	-60.7	-174.4	0	0	0	113.5	I199 P203 L204 K209 T210 I212 L217 L220	I199-L207 HydrophobicContact CD1-CD2 3.74Å; P203-L207 PolarHBondContact O-N 3.13Å; L204-L207 PolarHBondContact O-N 3.43Å; L207-K209 PolarHBondContact O-N 2.8Å; L207-T210 WeakPolarHBondContact O-CB 3.22Å; L207-T210 PolarHBondContact O-N 3.43Å; L207-T210 PolarHBondContact O-OG1 2.83Å; L207-I212 HydrophobicContact CD1-CD1 4.27Å; L207-I212 WeakPolarHBondContact O-CG2 3.32Å; L207-L217 HydrophobicContact CB-CD1 3.88Å; L207-L220 HydrophobicContact CD1-CD1 3.86Å
208	K	97.7	Very high	98.1	Very high	93 Å²	93	38.4 Å²	38.4	40%	0.404	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.1	179.7	77.5	-172.5	-171	-172	0	114.8	L204 D205 I206 L217 K480	L204-K208 WeakPolarHBondContact O-CB 3.26Å; L204-K208 WeakPolarHBondContact O-CG 3.42Å; L204-K208 PolarHBondContact O-N 3.27Å; D205-K208 VanDerWaalsContact OD1-CE 3.25Å; D205-K208 WeakPolarHBondContact OD1-CE 3.28Å; D205-K208 IonicContact OD1-NZ 3.84Å; D205-K208 PolarHBondContact OD1-NZ 3.06Å; I206-K208 VanDerWaalsContact C-N 3.34Å; I206-K208 PolarHBondContact O-N 2.96Å; K208-L217 HydrophobicContact CB-CD1 4.49Å; K208-L217 HydrophobicContact CB-CD2 3.91Å; K208-K480 VanDerWaalsContact O-CG 3.22Å; K208-K480 WeakPolarHBondContact O-CG 3.5Å
209	K	97.6	Very high	98	Very high	141 Å²	141	39.4 Å²	39.4	61%	0.613	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	9.1	177.1	-56.2	-179.7	-174.9	177.4	0	113	I206 L207 P481	I206-K209 PolarHBondContact O-N 3.44Å; L207-K209 PolarHBondContact O-N 2.8Å; K209-P481 WeakPolarHBondContact O-CD 3.28Å
210	T	98.6	Very high	98	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.08	21%	0.206	C	C	.	.	S	Bend	trans	-107.9	176.6	-176.6	70.5	0	0	0	0	112	P89 D90 L207 I212 K480	P89-T210 WeakPolarHBondContact O-CB 3.23Å; D90-T210 HydrophobicContact CB-CG2 4.26Å; L207-T210 WeakPolarHBondContact O-CB 3.22Å; L207-T210 PolarHBondContact O-N 3.43Å; L207-T210 PolarHBondContact O-OG1 2.83Å; T210-I212 PolarHBondContact O-N 3.34Å; T210-I212 WeakPolarHBondContact OG1-CB 3.34Å; T210-I212 WeakPolarHBondContact OG1-CG2 3.43Å; T210-I212 PolarHBondContact OG1-N 3.45Å; T210-K480 WeakPolarHBondContact O-CE 3.49Å
211	D	98.5	Very high	98	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.064	23%	0.229	C	C	.	.	S	Bend	trans	-85.7	22.5	172.9	77.2	-39.1	0	0	0	113.6	P89 K95 R482 K484	P89-D211 WeakPolarHBondContact CA-OD1 3.01Å; P89-D211 WeakPolarHBondContact CB-OD1 3.38Å; K95-D211 WeakPolarHBondContact CE-OD1 3.5Å; K95-D211 IonicContact NZ-OD1 2.63Å; K95-D211 IonicContact NZ-OD2 3.95Å; K95-D211 PolarHBondContact NZ-OD2 2.87Å; D211-R482 HydrophobicContact CB-CG 3.69Å; D211-K484 VanDerWaalsContact CG-NZ 3.31Å; D211-K484 WeakPolarHBondContact O-CE 3.21Å; D211-K484 PolarHBondContact O-NZ 2.86Å; D211-K484 IonicContact OD1-NZ 3.65Å; D211-K484 WeakPolarHBondContact OD2-CE 3.28Å; D211-K484 IonicContact OD2-NZ 2.75Å; D211-K484 PolarHBondContact OD2-NZ 2.89Å
212	I	98.8	Very high	98	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.			trans	-60.2	144.9	169.4	-163.3	170.1	0	0	0	110	P89 Y166 I199 L207 T210 A216 L217 L220 K480	P89-I212 HydrophobicContact CB-CB 3.92Å; P89-I212 HydrophobicContact CG-CB 3.79Å; P89-I212 HydrophobicContact CG-CD1 4.37Å; P89-I212 HydrophobicContact CG-CG1 4.11Å; Y166-I212 WeakPolarHBondContact O-CG1 3.26Å; I199-I212 HydrophobicContact CG2-CD1 4.37Å; L207-I212 HydrophobicContact CD1-CD1 4.27Å; L207-I212 WeakPolarHBondContact O-CG2 3.32Å; T210-I212 PolarHBondContact O-N 3.34Å; T210-I212 WeakPolarHBondContact OG1-CB 3.34Å; T210-I212 WeakPolarHBondContact OG1-CG2 3.43Å; T210-I212 PolarHBondContact OG1-N 3.45Å; I212-A216 HydrophobicContact CG1-CB 4.28Å; I212-L217 HydrophobicContact CG2-CB 4.28Å; I212-L217 HydrophobicContact CG2-CD1 4.41Å; I212-L220 HydrophobicContact CD1-CD1 3.68Å; I212-K480 VanDerWaalsContact O-CE 3.28Å; I212-K480 WeakPolarHBondContact O-CE 3.27Å; I212-K480 PolarHBondContact O-NZ 3.33Å
213	T	98.5	Very high	98	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	27%	0.272	C	S	.	.			trans	-68	144.1	178.5	59.8	0	0	0	0	111.8	W165 Y166 G168 A216 L217 L486	W165-T213 PolarHBondContact O-OG1 3.43Å; Y166-T213 PolarHBondContact O-N 2.87Å; G168-T213 VanDerWaalsContact N-CG2 3.28Å; T213-A216 PolarHBondContact O-N 2.78Å; T213-A216 VanDerWaalsContact OG1-CB 3.22Å; T213-A216 WeakPolarHBondContact OG1-CB 3.02Å; T213-L217 PolarHBondContact O-N 3.05Å; T213-L486 HydrophobicContact CG2-CD2 3.51Å
214	Q	97.7	Very high	98	Very high	69 Å²	69	56.5 Å²	56.5	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-56.3	-45.3	177.8	-178.3	59.7	25.5	0	0	113.4	A216 L217 E218 E483	Q214-A216 VanDerWaalsContact C-N 3.3Å; Q214-A216 PolarHBondContact O-N 2.9Å; Q214-L217 WeakPolarHBondContact O-CB 3.47Å; Q214-L217 PolarHBondContact O-N 3.42Å; Q214-L217 VanDerWaalsContact O-N 3.15Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.36Å; Q214-E218 PolarHBondContact NE2-OE1 3.14Å; Q214-E218 WeakPolarHBondContact O-CG 3.04Å; Q214-E218 PolarHBondContact O-N 3.15Å; Q214-E483 PolarHBondContact N-OE1 3.24Å
215	P	97.9	Very high	98.1	Very high	60 Å²	60	53.3 Å²	53.3	39%	0.39	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-30.9	176.6	-25	36.3	0	0	0	114.5	A219 L486	P215-A219 PolarHBondContact O-N 3.4Å; P215-A219 VanDerWaalsContact O-N 3.1Å; P215-L486 HydrophobicContact CG-CD1 3.97Å
216	A	98.4	Very high	98.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-74.7	-35.4	175.3	0	0	0	0	0	112	W165 I212 T213 Q214 E218 L220	W165-A216 HydrophobicContact CD2-CB 4.08Å; W165-A216 HydrophobicContact CE3-CB 4.14Å; W165-A216 HydrophobicContact CH2-CB 3.78Å; W165-A216 HydrophobicContact CZ2-CB 3.72Å; W165-A216 HydrophobicContact CZ3-CB 3.99Å; I212-A216 HydrophobicContact CG1-CB 4.28Å; T213-A216 PolarHBondContact O-N 2.78Å; T213-A216 VanDerWaalsContact OG1-CB 3.22Å; T213-A216 WeakPolarHBondContact OG1-CB 3.02Å; Q214-A216 VanDerWaalsContact C-N 3.3Å; Q214-A216 PolarHBondContact O-N 2.9Å; A216-E218 VanDerWaalsContact C-N 3.34Å; A216-L220 VanDerWaalsContact O-CB 3.31Å; A216-L220 WeakPolarHBondContact O-CB 3.44Å; A216-L220 WeakPolarHBondContact O-CD1 3.47Å; A216-L220 WeakPolarHBondContact O-CG 3.41Å; A216-L220 PolarHBondContact O-N 3.28Å
217	L	98.3	Very high	98.3	Very high	19 Å²	19	52.7 Å²	52.7	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-38.6	173.5	-173.8	64.3	0	0	0	111.8	L204 L207 K208 I212 T213 Q214 L220 A221	L204-L217 HydrophobicContact CD2-CD1 4.18Å; L207-L217 HydrophobicContact CB-CD1 3.88Å; K208-L217 HydrophobicContact CB-CD1 4.49Å; K208-L217 HydrophobicContact CB-CD2 3.91Å; I212-L217 HydrophobicContact CG2-CB 4.28Å; I212-L217 HydrophobicContact CG2-CD1 4.41Å; T213-L217 PolarHBondContact O-N 3.05Å; Q214-L217 WeakPolarHBondContact O-CB 3.47Å; Q214-L217 PolarHBondContact O-N 3.42Å; Q214-L217 VanDerWaalsContact O-N 3.15Å; L217-L220 PolarHBondContact O-N 2.9Å; L217-A221 PolarHBondContact O-N 3.02Å
218	E	97.9	Very high	98.3	Very high	99 Å²	99	52.7 Å²	52.7	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-51.2	174.5	-73.2	162	-178.7	0	0	111.5	Q214 A216 L220 A221 E222	Q214-E218 WeakPolarHBondContact CG-OE1 3.36Å; Q214-E218 PolarHBondContact NE2-OE1 3.14Å; Q214-E218 WeakPolarHBondContact O-CG 3.04Å; Q214-E218 PolarHBondContact O-N 3.15Å; A216-E218 VanDerWaalsContact C-N 3.34Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 3.05Å; E218-A221 WeakPolarHBondContact O-CB 3.33Å; E218-A221 PolarHBondContact O-N 3.32Å; E218-E222 PolarHBondContact O-N 3.49Å
219	A	98.4	Very high	98.4	Very high	26 Å²	26	48.8 Å²	48.8	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-35.9	175.7	0	0	0	0	0	113	W165 L179 P215 A221 E222 S223	W165-A219 HydrophobicContact CH2-CB 3.89Å; W165-A219 HydrophobicContact CZ2-CB 3.68Å; L179-A219 HydrophobicContact CD1-CB 4.48Å; P215-A219 PolarHBondContact O-N 3.4Å; P215-A219 VanDerWaalsContact O-N 3.1Å; A219-A221 VanDerWaalsContact C-N 3.3Å; A219-A221 PolarHBondContact O-N 3.09Å; A219-E222 PolarHBondContact O-N 2.83Å; A219-S223 PolarHBondContact O-N 3.43Å; A219-S223 VanDerWaalsContact O-N 3.16Å
220	L	98.5	Very high	98.4	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-70.1	-25.1	174.2	-74	166.4	0	0	0	112.8	L179 I199 L200 L204 L207 I212 A216 L217 E218 S223	L179-L220 HydrophobicContact CD1-CD2 3.92Å; L179-L220 HydrophobicContact CD1-CG 4.39Å; I199-L220 HydrophobicContact CG2-CD1 3.7Å; I199-L220 HydrophobicContact CG2-CD2 4.44Å; L200-L220 HydrophobicContact CD2-CD2 4.39Å; L204-L220 HydrophobicContact CD2-CB 4.13Å; L207-L220 HydrophobicContact CD1-CD1 3.86Å; I212-L220 HydrophobicContact CD1-CD1 3.68Å; A216-L220 VanDerWaalsContact O-CB 3.31Å; A216-L220 WeakPolarHBondContact O-CB 3.44Å; A216-L220 WeakPolarHBondContact O-CD1 3.47Å; A216-L220 WeakPolarHBondContact O-CG 3.41Å; A216-L220 PolarHBondContact O-N 3.28Å; L217-L220 PolarHBondContact O-N 2.9Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 3.05Å; L220-S223 VanDerWaalsContact O-CB 3.29Å; L220-S223 WeakPolarHBondContact O-CB 3.45Å; L220-S223 PolarHBondContact O-N 3.36Å
221	A	98.2	Very high	98.4	Very high	61 Å²	61	41.7 Å²	41.7	50%	0.504	21%	0.212	S	C	.	.	H	α-helix	trans	-73.1	-30.7	175.1	0	0	0	0	0	112.7	L204 L217 E218 A219	L204-A221 HydrophobicContact CD1-CB 3.8Å; L204-A221 HydrophobicContact CD2-CB 4.31Å; L217-A221 PolarHBondContact O-N 3.02Å; E218-A221 WeakPolarHBondContact O-CB 3.33Å; E218-A221 PolarHBondContact O-N 3.32Å; A219-A221 VanDerWaalsContact C-N 3.3Å; A219-A221 PolarHBondContact O-N 3.09Å
222	E	98.1	Very high	98.4	Very high	164 Å²	164	41.3 Å²	41.3	77%	0.766	21%	0.211	S	C	*	.	S	Bend	trans	-88.3	-5.4	174.1	-61.1	-175.8	173.2	0	0	113.3	E218 A219 R224	E218-E222 PolarHBondContact O-N 3.49Å; A219-E222 PolarHBondContact O-N 2.83Å; E222-R224 PolarHBondContact O-N 3.12Å
223	S	98.5	Very high	98.3	Very high	23 Å²	23	49 Å²	49	16%	0.161	24%	0.24	C	C	.	.			trans	-61.5	129.9	-176.9	179.5	0	0	0	0	112.9	A219 L220 V225	A219-S223 PolarHBondContact O-N 3.43Å; A219-S223 VanDerWaalsContact O-N 3.16Å; L220-S223 VanDerWaalsContact O-CB 3.29Å; L220-S223 WeakPolarHBondContact O-CB 3.45Å; L220-S223 PolarHBondContact O-N 3.36Å; S223-V225 PolarHBondContact OG-N 3.01Å
224	R	98.4	Very high	98.2	Very high	153 Å²	153	52.2 Å²	52.2	58%	0.577	25%	0.252	S	S	*	.			trans	-98.5	4.9	173.1	-59.7	-178.9	64.7	144.9	-0.2	112.4	L179 S180 C181 E222 Q226	L179-R224 PolarHBondContact O-N 3.37Å; S180-R224 WeakPolarHBondContact O-CB 3.15Å; S180-R224 WeakPolarHBondContact O-CD 3.45Å; C181-R224 CarbonylContact O-C 3.59Å; E222-R224 PolarHBondContact O-N 3.12Å; R224-Q226 PolarHBondContact O-N 3.42Å; R224-Q226 VanDerWaalsContact O-N 3.12Å
225	V	98.7	Very high	98	Very high	1 Å²	1	49 Å²	49	1%	0.006	24%	0.237	C	C	.	.			trans	-65.2	112	179.6	-179.6	0	0	0	0	110.3	C181 A184 L200 L201 S223 V228 K306	C181-V225 WeakPolarHBondContact O-CA 3.11Å; C181-V225 WeakPolarHBondContact O-CG2 3.49Å; C181-V225 PolarHBondContact O-N 3.21Å; A184-V225 HydrophobicContact CB-CG1 4.05Å; L200-V225 HydrophobicContact CD2-CG2 4.46Å; L201-V225 HydrophobicContact CD2-CG1 4.3Å; S223-V225 PolarHBondContact OG-N 3.01Å; V225-V228 HydrophobicContact CG1-CG2 4.13Å; V225-K306 WeakPolarHBondContact O-CE 3.34Å
226	Q	98.3	Very high	97.9	Very high	102 Å²	102	46.1 Å²	46.1	48%	0.477	22%	0.218	S	C	.	.			trans	-106.8	-27.8	177	-68.7	177.8	16.2	0	0	112.3	E182 R224 K306 V307	E182-Q226 PolarHBondContact O-N 3.35Å; R224-Q226 PolarHBondContact O-N 3.42Å; R224-Q226 VanDerWaalsContact O-N 3.12Å; Q226-K306 CarbonylContact O-C 3.56Å; Q226-K306 WeakPolarHBondContact O-CA 3.33Å; Q226-V307 PolarHBondContact O-N 2.84Å
227	K	98.7	Very high	97.5	Very high	56 Å²	56	48.3 Å²	48.3	24%	0.243	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130	-176.2	-169.3	166.9	-169.9	159.3	0	112.1	E182 T183 A184 L229 E258 V307	E182-K227 PolarHBondContact O-N 3.25Å; T183-K227 WeakPolarHBondContact CA-O 3.15Å; T183-K227 HydrophobicContact CG2-CB 4.34Å; T183-K227 HydrophobicContact CG2-CG 4.42Å; A184-K227 PolarHBondContact N-O 3.19Å; K227-L229 HydrophobicContact CG-CG 4.48Å; K227-E258 WeakPolarHBondContact CE-OE1 3.13Å; K227-E258 IonicContact NZ-OE1 3.6Å; K227-E258 PolarHBondContact NZ-OE1 2.88Å; K227-V307 CarbonylContact C-O 3.48Å; K227-V307 VanDerWaalsContact CA-O 3.31Å; K227-V307 WeakPolarHBondContact CA-O 3.22Å; K227-V307 HydrophobicContact CG-CB 4.42Å
228	V	98.9	Very high	97.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.9	170.2	175.4	0	0	0	0	110.8	A184 I186 A197 L200 L201 V225 I230 V307 W308 G309	A184-V228 HydrophobicContact CB-CG2 4.34Å; A184-V228 WeakPolarHBondContact O-CA 3.3Å; I186-V228 HydrophobicContact CD1-CG1 3.51Å; I186-V228 HydrophobicContact CG1-CG1 3.96Å; A197-V228 HydrophobicContact CB-CG1 3.76Å; L200-V228 HydrophobicContact CB-CG2 4.24Å; L200-V228 HydrophobicContact CD1-CG2 4.13Å; L201-V228 HydrophobicContact CD1-CB 4Å; L201-V228 HydrophobicContact CD1-CG2 3.88Å; L201-V228 HydrophobicContact CD2-CG2 3.85Å; L201-V228 HydrophobicContact CG-CB 4.44Å; L201-V228 HydrophobicContact CG-CG2 3.75Å; V225-V228 HydrophobicContact CG1-CG2 4.13Å; V228-I230 HydrophobicContact CG1-CG1 4.01Å; V228-V307 PolarHBondContact N-O 3.26Å; V228-W308 CarbonylContact O-C 3.57Å; V228-W308 VanDerWaalsContact O-CA 3.26Å; V228-W308 WeakPolarHBondContact O-CA 3.41Å; V228-G309 PolarHBondContact O-N 2.88Å
229	L	98.7	Very high	97.1	Very high	12 Å²	12	44 Å²	44	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.6	175.2	-67.7	175.3	0	0	0	110.5	T183 A184 V185 I186 K227 R311 V356	T183-L229 HydrophobicContact CG2-CD1 4.33Å; A184-L229 PolarHBondContact O-N 3.29Å; V185-L229 CarbonylContact C-O 3.58Å; V185-L229 WeakPolarHBondContact CA-O 3.49Å; V185-L229 HydrophobicContact CG2-CB 4.3Å; I186-L229 PolarHBondContact N-O 3.27Å; K227-L229 HydrophobicContact CG-CG 4.48Å; L229-R311 HydrophobicContact CD2-CG 4.2Å; L229-V356 HydrophobicContact CD1-CG1 3.73Å
230	I	98.8	Very high	97	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	95.8	-176.3	-45.7	-178.7	0	0	0	109.2	I186 G188 Q189 A193 L194 A197 V228 W308 G309 F310 R311	I186-I230 CarbonylContact O-C 3.56Å; I186-I230 WeakPolarHBondContact O-CA 3.4Å; G188-I230 WeakPolarHBondContact O-CG2 3.18Å; Q189-I230 HydrophobicContact CG-CG2 4.08Å; Q189-I230 PolarHBondContact NE2-O 3.36Å; A193-I230 HydrophobicContact CB-CG2 4.04Å; L194-I230 HydrophobicContact CD2-CD1 3.74Å; A197-I230 HydrophobicContact CB-CD1 3.81Å; A197-I230 HydrophobicContact CB-CG1 4.48Å; V228-I230 HydrophobicContact CG1-CG1 4.01Å; I230-W308 HydrophobicContact CD1-CE3 4.38Å; I230-G309 PolarHBondContact N-O 3.18Å; I230-F310 HydrophobicContact CB-CD1 3.74Å; I230-F310 HydrophobicContact CB-CE1 3.98Å; I230-F310 HydrophobicContact CD1-CE1 4.32Å; I230-F310 HydrophobicContact CG2-CD1 3.92Å; I230-F310 HydrophobicContact CG2-CE1 3.79Å; I230-F310 WeakPolarHBondContact O-CA 3.49Å; I230-R311 PolarHBondContact O-N 3.08Å
231	V	98.7	Very high	96.8	Very high	4 Å²	4	46 Å²	46	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.9	-165.7	-176.5	0	0	0	0	110.6	V185 I186 L187 G188 R311 R314 L333	V185-V231 HydrophobicContact CG1-CG2 3.67Å; I186-V231 PolarHBondContact O-N 3.33Å; L187-V231 HydrophobicContact CD2-CB 3.96Å; L187-V231 HydrophobicContact CD2-CG1 4.2Å; L187-V231 HydrophobicContact CD2-CG2 4.49Å; G188-V231 PolarHBondContact N-O 2.83Å; V231-R311 CarbonylContact C-O 3.53Å; V231-R311 WeakPolarHBondContact CA-O 3.4Å; V231-R311 HydrophobicContact CG2-CB 4.28Å; V231-R314 HydrophobicContact CG1-CB 3.5Å; V231-R314 HydrophobicContact CG1-CG 4.46Å; V231-L333 HydrophobicContact CG1-CD1 3.95Å; V231-L333 HydrophobicContact CG1-CD2 4.1Å; V231-L333 HydrophobicContact CG2-CD1 4.19Å
232	G	97.7	Very high	96.7	Very high	5 Å²	5	46 Å²	46	5%	0.052	22%	0.221	C	C	.	.			trans	-130.3	136.9	178.2	0	0	0	0	0	112.6	Q189 R234 R311 F312 Y313 R314	Q189-G232 VanDerWaalsContact CD-CA 3.46Å; G232-R234 VanDerWaalsContact C-N 3.25Å; G232-R234 PolarHBondContact O-N 3.03Å; G232-R311 PolarHBondContact N-O 3.24Å; G232-F312 CarbonylContact O-C 3.57Å; G232-Y313 PolarHBondContact O-N 2.93Å; G232-R314 CarbonylContact C-O 3.58Å; G232-R314 VanDerWaalsContact C-O 3.31Å; G232-R314 PolarHBondContact O-N 3.31Å
233	R	96.8	Very high	96.6	Very high	161 Å²	161	40.7 Å²	40.7	61%	0.608	20%	0.197	S	C	*	.	S	Bend	trans	-68	-19.2	177.4	60.8	172.9	-173.9	179	2	114.9	R314 N336 A347	R233-R314 WeakPolarHBondContact CA-O 2.98Å; R233-R314 PolarHBondContact N-O 2.88Å; R233-N336 WeakPolarHBondContact CA-ND2 3.23Å; R233-N336 PolarHBondContact O-ND2 3.11Å; R233-A347 HydrophobicContact CB-CB 4.16Å; R233-A347 HydrophobicContact CG-CB 4.47Å; R233-A347 WeakPolarHBondContact O-CB 3.29Å
234	R	96.1	Very high	96.5	Very high	71 Å²	71	43 Å²	43	27%	0.268	20%	0.204	S	C	.	.	S	Bend	trans	-115.2	-176.6	179.6	-63.6	-174	-60.2	178.3	7.5	110.4	G232 Q238 F312 Y313 L338 A345 A347	G232-R234 VanDerWaalsContact C-N 3.25Å; G232-R234 PolarHBondContact O-N 3.03Å; R234-Q238 HydrophobicContact CB-CB 3.57Å; R234-Q238 HydrophobicContact CB-CG 4.04Å; R234-Q238 HydrophobicContact CG-CB 4.41Å; R234-Q238 PolarHBondContact NH2-O 3.18Å; R234-F312 WeakPolarHBondContact O-CD1 3.47Å; R234-Y313 PolarHBondContact O-N 3.1Å; R234-L338 HydrophobicContact CB-CD2 3.94Å; R234-L338 HydrophobicContact CG-CD2 3.81Å; R234-A345 WeakPolarHBondContact CD-O 3.37Å; R234-A347 HydrophobicContact CG-CB 4.23Å
235	G	94.5	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.			trans	-85.8	-179.6	-176.3	0	0	0	0	0	115.5	M237 Q238 F312 Y313	G235-M237 PolarHBondContact O-N 3.3Å; G235-Q238 PolarHBondContact O-N 3.44Å; G235-Q238 PolarHBondContact O-OE1 3.37Å; G235-F312 VanDerWaalsContact C-CD1 3.41Å; G235-Y313 WeakPolarHBondContact CA-OH 3.38Å
236	P	94.4	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.5	178.4	-25.3	33.2	0	0	0	113.8	Q238 D263 F264 V267 L285 F312 Y313	P236-Q238 PolarHBondContact O-N 2.84Å; P236-D263 WeakPolarHBondContact CD-O 3.35Å; P236-D263 VanDerWaalsContact CG-O 3.26Å; P236-D263 WeakPolarHBondContact CG-O 3.32Å; P236-F264 HydrophobicContact CB-CD1 4.09Å; P236-F264 HydrophobicContact CB-CE1 3.77Å; P236-F264 HydrophobicContact CG-CD1 3.81Å; P236-F264 HydrophobicContact CG-CE1 3.68Å; P236-F264 HydrophobicContact CG-CG 4.4Å; P236-F264 HydrophobicContact CG-CZ 4.18Å; P236-V267 HydrophobicContact CG-CG2 4.36Å; P236-L285 HydrophobicContact CB-CD1 4.39Å; P236-F312 HydrophobicContact CB-CE1 4.25Å; P236-F312 HydrophobicContact CB-CE2 4.3Å; P236-F312 HydrophobicContact CB-CZ 4.04Å; P236-F312 HydrophobicContact CG-CD1 4.25Å; P236-F312 HydrophobicContact CG-CD2 3.82Å; P236-F312 HydrophobicContact CG-CE1 4.21Å; P236-F312 HydrophobicContact CG-CE2 3.78Å; P236-F312 HydrophobicContact CG-CG 4.05Å; P236-F312 HydrophobicContact CG-CZ 3.98Å; P236-Y313 WeakPolarHBondContact CD-OH 3.5Å
237	M	91.8	Very high	96.4	Very high	46 Å²	46	37.6 Å²	37.6	23%	0.227	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-70.8	-6.9	177.4	-65.1	-173	76.9	0	0	114	G235 V267 A270 L271 V274 R278 T282	G235-M237 PolarHBondContact O-N 3.3Å; M237-V267 HydrophobicContact CG-CG1 3.95Å; M237-A270 HydrophobicContact CE-CB 3.8Å; M237-A270 HydrophobicContact SD-CB 3.54Å; M237-A270 VanDerWaalsContact SD-CB 3.54Å; M237-L271 HydrophobicContact CE-CD2 4.43Å; M237-V274 HydrophobicContact CE-CG2 3.83Å; M237-R278 VanDerWaalsContact O-CZ 3.26Å; M237-R278 PolarHBondContact O-NE 2.69Å; M237-R278 PolarHBondContact O-NH2 2.87Å; M237-T282 HydrophobicContact CG-CG2 4.48Å
238	Q	93.3	Very high	96.3	Very high	26 Å²	26	37.5 Å²	37.5	12%	0.121	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-118.2	10.2	-176.2	-66.8	84.6	22.6	0	0	114.8	R234 G235 P236 R278	R234-Q238 HydrophobicContact CB-CB 3.57Å; R234-Q238 HydrophobicContact CB-CG 4.04Å; R234-Q238 HydrophobicContact CG-CB 4.41Å; R234-Q238 PolarHBondContact NH2-O 3.18Å; G235-Q238 PolarHBondContact O-N 3.44Å; G235-Q238 PolarHBondContact O-OE1 3.37Å; P236-Q238 PolarHBondContact O-N 2.84Å; Q238-R278 VanDerWaalsContact C-NH2 3.3Å; Q238-R278 VanDerWaalsContact CA-NH2 3.26Å
239	V	94.6	Very high	96.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	18%	0.18	C	C	.	.			trans	-54.5	148.6	170.8	-63.3	0	0	0	0	111.7	Q189 R278 L281 L285 F312	Q189-V239 HydrophobicContact CB-CB 4.42Å; Q189-V239 HydrophobicContact CB-CG1 4.22Å; V239-R278 PolarHBondContact O-NH1 3.27Å; V239-R278 PolarHBondContact O-NH2 3.19Å; V239-L281 HydrophobicContact CG2-CD2 3.65Å; V239-L281 HydrophobicContact CG2-CG 4.38Å; V239-L285 HydrophobicContact CG1-CD1 4.22Å; V239-L285 HydrophobicContact CG2-CD1 4.14Å; V239-F312 HydrophobicContact CG1-CE1 3.66Å; V239-F312 HydrophobicContact CG1-CZ 4.17Å
240	A	94.4	Very high	96.2	Very high	76 Å²	76	37.6 Å²	37.6	63%	0.628	18%	0.181	S	C	*	.			trans	-103	-5.8	178.2	0	0	0	0	0	113.1	Q189	Q189-A240 CarbonylContact O-C 3.58Å; Q189-A240 WeakPolarHBondContact O-CA 3.46Å; Q189-A240 PolarHBondContact O-N 3.43Å
241	C	95.7	Very high	96.1	Very high	2 Å²	2	42 Å²	42	1%	0.014	21%	0.205	C	C	.	.			trans	-72.8	156	176.8	61.7	0	0	0	0	112.8	Q189 N191 L194 L281	Q189-C241 PolarHBondContact O-N 3.18Å; N191-C241 WeakPolarHBondContact OD1-CA 3.2Å; L194-C241 HydrophobicContact CD1-CB 3.5Å; L194-C241 VanDerWaalsContact CD1-CB 3.5Å; L194-C241 HydrophobicContact CG-CB 4.3Å; C241-L281 VanDerWaalsContact O-CD2 3.22Å; C241-L281 WeakPolarHBondContact O-CD2 3.22Å
242	T	95.3	Very high	96	Very high	63 Å²	63	42.3 Å²	42.3	39%	0.387	21%	0.206	S	C	.	.			trans	-98.3	164.3	173.1	36.7	0	0	0	0	112.2	N191 K244 E245 L246	N191-T242 PolarHBondContact ND2-OG1 2.77Å; N191-T242 PolarHBondContact OD1-N 3.11Å; N191-T242 PolarHBondContact OD1-OG1 2.99Å; T242-K244 VanDerWaalsContact C-N 3.29Å; T242-K244 PolarHBondContact O-N 3.49Å; T242-E245 VanDerWaalsContact C-OE2 3.26Å; T242-E245 WeakPolarHBondContact CB-OE2 3.22Å; T242-E245 PolarHBondContact O-N 3.48Å; T242-E245 PolarHBondContact OG1-OE1 3.23Å; T242-E245 PolarHBondContact OG1-OE2 2.87Å; T242-L246 PolarHBondContact O-N 3.44Å
243	I	96.6	Very high	95.9	Very high	51 Å²	51	45.1 Å²	45.1	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-71.3	-20.2	-168.5	-165.6	175.7	0	0	0	113.8	R247 R280 L281 L284	I243-R247 WeakPolarHBondContact O-CB 3.3Å; I243-R247 PolarHBondContact O-N 3.05Å; I243-R247 VanDerWaalsContact O-N 3.15Å; I243-R280 HydrophobicContact CD1-CB 3.76Å; I243-R280 VanDerWaalsContact CD1-O 3.3Å; I243-R280 WeakPolarHBondContact CD1-O 3.34Å; I243-L281 HydrophobicContact CB-CB 4.48Å; I243-L281 HydrophobicContact CB-CD1 4.06Å; I243-L281 HydrophobicContact CG1-CD1 4.44Å; I243-L284 HydrophobicContact CG1-CD2 3.96Å
244	K	95.9	Very high	95.9	Very high	73 Å²	73	39.3 Å²	39.3	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-68.3	-54.2	176.6	178.1	-158.8	-176.1	-105.4	0	109.2	H91 E93 T242 L246 R247 E248	H91-K244 PolarHBondContact CD2-NZ 3.22Å; H91-K244 PolarHBondContact NE2-NZ 3.16Å; E93-K244 WeakPolarHBondContact OE1-CE 3.12Å; E93-K244 IonicContact OE1-NZ 2.89Å; E93-K244 PolarHBondContact OE1-NZ 2.88Å; T242-K244 VanDerWaalsContact C-N 3.29Å; T242-K244 PolarHBondContact O-N 3.49Å; K244-L246 PolarHBondContact O-N 3.15Å; K244-R247 WeakPolarHBondContact O-CA 3.15Å; K244-R247 WeakPolarHBondContact O-CB 3.16Å; K244-R247 PolarHBondContact O-N 3.39Å; K244-R247 VanDerWaalsContact O-N 3.08Å; K244-E248 WeakPolarHBondContact CE-OE1 3.49Å; K244-E248 WeakPolarHBondContact CG-OE1 3.35Å; K244-E248 IonicContact NZ-OE1 2.66Å; K244-E248 PolarHBondContact NZ-OE1 2.79Å; K244-E248 IonicContact NZ-OE2 2.78Å; K244-E248 WeakPolarHBondContact O-CG 3.37Å; K244-E248 PolarHBondContact O-N 3.49Å
245	E	97.1	Very high	96	Very high	22 Å²	22	36 Å²	36	10%	0.103	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-40.5	-174.8	-59.7	74.9	-169.9	0	0	110.5	N191 L194 T242 R247 E248 M249	N191-E245 HydrophobicContact CB-CG 4.25Å; N191-E245 PolarHBondContact ND2-OE1 3.04Å; L194-E245 HydrophobicContact CD1-CB 3.82Å; T242-E245 VanDerWaalsContact C-OE2 3.26Å; T242-E245 WeakPolarHBondContact CB-OE2 3.22Å; T242-E245 PolarHBondContact O-N 3.48Å; T242-E245 PolarHBondContact OG1-OE1 3.23Å; T242-E245 PolarHBondContact OG1-OE2 2.87Å; E245-R247 VanDerWaalsContact C-N 3.35Å; E245-R247 PolarHBondContact O-N 3.31Å; E245-E248 PolarHBondContact O-N 2.98Å; E245-M249 PolarHBondContact O-N 3.34Å
246	L	98.1	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-42.9	171.2	178.4	62.8	0	0	0	111.5	L194 T242 K244 M249 V250 L281 L284 L285 W308 F310	L194-L246 HydrophobicContact CD1-CB 4.39Å; T242-L246 PolarHBondContact O-N 3.44Å; K244-L246 PolarHBondContact O-N 3.15Å; L246-M249 PolarHBondContact O-N 3.16Å; L246-V250 HydrophobicContact CD1-CG2 4.33Å; L246-V250 HydrophobicContact CG-CG2 4.46Å; L246-V250 VanDerWaalsContact O-CG2 3.3Å; L246-V250 WeakPolarHBondContact O-CG2 3.45Å; L246-V250 PolarHBondContact O-N 2.85Å; L246-L281 HydrophobicContact CB-CD1 4.16Å; L246-L281 HydrophobicContact CD2-CD1 3.65Å; L246-L284 HydrophobicContact CB-CD2 4.43Å; L246-L284 HydrophobicContact CD2-CB 4.29Å; L246-L284 HydrophobicContact CD2-CD2 3.9Å; L246-L284 HydrophobicContact CD2-CG 3.99Å; L246-L284 HydrophobicContact CG-CD2 3.98Å; L246-L284 HydrophobicContact CG-CG 4.37Å; L246-L285 HydrophobicContact CD1-CD2 3.84Å; L246-L285 HydrophobicContact CD2-CD2 3.49Å; L246-L285 VanDerWaalsContact CD2-CD2 3.49Å; L246-L285 HydrophobicContact CD2-CG 3.63Å; L246-L285 HydrophobicContact CG-CD2 4.34Å; L246-W308 HydrophobicContact CD1-CH2 3.9Å; L246-W308 HydrophobicContact CD1-CZ3 4.46Å; L246-F310 HydrophobicContact CD1-CE2 3.84Å; L246-F310 HydrophobicContact CD1-CZ 4.29Å
247	R	97.9	Very high	96.3	Very high	119 Å²	119	40.4 Å²	40.4	45%	0.449	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-39.3	179.2	-178.6	178.7	-57.9	-79.6	-11.5	111.7	I243 K244 E245 V250 N251 L284	I243-R247 WeakPolarHBondContact O-CB 3.3Å; I243-R247 PolarHBondContact O-N 3.05Å; I243-R247 VanDerWaalsContact O-N 3.15Å; K244-R247 WeakPolarHBondContact O-CA 3.15Å; K244-R247 WeakPolarHBondContact O-CB 3.16Å; K244-R247 PolarHBondContact O-N 3.39Å; K244-R247 VanDerWaalsContact O-N 3.08Å; E245-R247 VanDerWaalsContact C-N 3.35Å; E245-R247 PolarHBondContact O-N 3.31Å; R247-V250 PolarHBondContact O-N 3.12Å; R247-N251 PolarHBondContact O-N 2.97Å; R247-N251 VanDerWaalsContact O-N 3.1Å; R247-N251 PolarHBondContact O-ND2 2.7Å; R247-L284 HydrophobicContact CB-CD2 4.02Å
248	E	97.6	Very high	96.4	Very high	55 Å²	55	40.9 Å²	40.9	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-45.3	173.3	-71.6	162.4	177.3	0	0	110.7	H91 K244 E245 V250 N251 L252	H91-E248 IonicContact CD2-OE2 2.68Å; H91-E248 IonicContact CE1-OE2 3.47Å; H91-E248 IonicContact NE2-OE1 3.74Å; H91-E248 IonicContact NE2-OE2 3.19Å; H91-E248 PolarHBondContact NE2-OE2 2.89Å; K244-E248 WeakPolarHBondContact CE-OE1 3.49Å; K244-E248 WeakPolarHBondContact CG-OE1 3.35Å; K244-E248 IonicContact NZ-OE1 2.66Å; K244-E248 PolarHBondContact NZ-OE1 2.79Å; K244-E248 IonicContact NZ-OE2 2.78Å; K244-E248 WeakPolarHBondContact O-CG 3.37Å; K244-E248 PolarHBondContact O-N 3.49Å; E245-E248 PolarHBondContact O-N 2.98Å; E248-V250 PolarHBondContact O-N 3.27Å; E248-N251 CarbonylContact O-C 3.52Å; E248-N251 PolarHBondContact O-N 3.34Å; E248-L252 PolarHBondContact O-N 3.46Å
249	M	98.1	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-40.5	176.3	-160.7	70.7	-162.3	0	0	113.1	L194 A197 R198 L201 E245 L246 N251 L252 W308	L194-M249 HydrophobicContact CD2-CB 4.24Å; L194-M249 HydrophobicContact CD2-CG 4.11Å; A197-M249 HydrophobicContact CB-CE 3.73Å; A197-M249 HydrophobicContact CB-SD 4.1Å; R198-M249 HydrophobicContact CB-SD 4.04Å; L201-M249 HydrophobicContact CD1-CE 3.92Å; E245-M249 PolarHBondContact O-N 3.34Å; L246-M249 PolarHBondContact O-N 3.16Å; M249-N251 VanDerWaalsContact C-N 3.31Å; M249-N251 PolarHBondContact O-N 2.92Å; M249-L252 HydrophobicContact CE-CD2 4Å; M249-L252 WeakPolarHBondContact O-CB 3.35Å; M249-L252 PolarHBondContact O-N 2.88Å; M249-L252 HydrophobicContact SD-CD2 4.07Å; M249-W308 HydrophobicContact CB-CH2 4.24Å; M249-W308 HydrophobicContact CB-CZ2 4.08Å; M249-W308 HydrophobicContact CE-CB 3.63Å; M249-W308 HydrophobicContact CE-CD2 3.87Å; M249-W308 HydrophobicContact CE-CE3 4.46Å; M249-W308 HydrophobicContact CE-CG 3.45Å; M249-W308 VanDerWaalsContact CE-CG 3.45Å; M249-W308 HydrophobicContact CG-CD2 3.63Å; M249-W308 HydrophobicContact CG-CE3 3.84Å; M249-W308 HydrophobicContact CG-CG 4.2Å; M249-W308 HydrophobicContact CG-CH2 3.93Å; M249-W308 HydrophobicContact CG-CZ2 3.71Å; M249-W308 HydrophobicContact CG-CZ3 3.98Å; M249-W308 PolarHBondContact O-NE1 3.04Å; M249-W308 VanDerWaalsContact O-NE1 3.14Å
250	V	96.8	Very high	96.4	Very high	13 Å²	13	43.3 Å²	43.3	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-35.7	175.7	169.8	0	0	0	0	112.4	L246 R247 E248 T288 R300 W308	L246-V250 HydrophobicContact CD1-CG2 4.33Å; L246-V250 HydrophobicContact CG-CG2 4.46Å; L246-V250 VanDerWaalsContact O-CG2 3.3Å; L246-V250 WeakPolarHBondContact O-CG2 3.45Å; L246-V250 PolarHBondContact O-N 2.85Å; R247-V250 PolarHBondContact O-N 3.12Å; E248-V250 PolarHBondContact O-N 3.27Å; V250-T288 HydrophobicContact CG2-CG2 3.86Å; V250-R300 PolarHBondContact O-NH2 3.43Å; V250-W308 HydrophobicContact CB-CZ2 4.48Å; V250-W308 HydrophobicContact CG2-CH2 4.09Å; V250-W308 HydrophobicContact CG2-CZ2 3.82Å
251	N	95.9	Very high	96.4	Very high	92 Å²	92	44 Å²	44	49%	0.492	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	7.8	-177.5	-65.2	-79.9	0	0	0	113.5	R247 E248 M249 P253	R247-N251 PolarHBondContact O-N 2.97Å; R247-N251 VanDerWaalsContact O-N 3.1Å; R247-N251 PolarHBondContact O-ND2 2.7Å; E248-N251 CarbonylContact O-C 3.52Å; E248-N251 PolarHBondContact O-N 3.34Å; M249-N251 VanDerWaalsContact C-N 3.31Å; M249-N251 PolarHBondContact O-N 2.92Å; N251-P253 WeakPolarHBondContact O-CD 3.44Å
252	L	97.6	Very high	96.2	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.058	25%	0.252	C	S	.	.			trans	-64.3	117.8	-175.3	-176.2	63	0	0	0	111	R198 L201 E248 M249 T255 R300	R198-L252 HydrophobicContact CB-CD2 4.45Å; R198-L252 HydrophobicContact CG-CD1 3.93Å; R198-L252 HydrophobicContact CG-CD2 4.03Å; L201-L252 HydrophobicContact CB-CD2 4.07Å; E248-L252 PolarHBondContact O-N 3.46Å; M249-L252 HydrophobicContact CE-CD2 4Å; M249-L252 WeakPolarHBondContact O-CB 3.35Å; M249-L252 PolarHBondContact O-N 2.88Å; M249-L252 HydrophobicContact SD-CD2 4.07Å; L252-T255 HydrophobicContact CB-CG2 4.26Å; L252-T255 WeakPolarHBondContact CB-OG1 3.44Å; L252-T255 HydrophobicContact CD2-CG2 3.76Å; L252-T255 HydrophobicContact CG-CG2 3.82Å; L252-T255 PolarHBondContact O-N 3.22Å; L252-T255 PolarHBondContact O-OG1 3.03Å; L252-R300 PolarHBondContact O-NH1 2.86Å
253	P	96.6	Very high	96.2	Very high	65 Å²	65	44 Å²	44	42%	0.422	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	144.2	-174.6	-26.7	36.4	0	0	0	113.2	P203 I206 N251 T255	P203-P253 HydrophobicContact CG-CB 4.29Å; I206-P253 HydrophobicContact CD1-CG 4.3Å; N251-P253 WeakPolarHBondContact O-CD 3.44Å; P253-T255 PolarHBondContact O-N 2.73Å
254	G	96.6	Very high	96	Very high	39 Å²	39	42 Å²	42	40%	0.402	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-0.2	-176.7	0	0	0	0	0	115.4	A304 A305 K306	G254-A304 CarbonylContact O-C 3.38Å; G254-A304 WeakPolarHBondContact O-CA 3.36Å; G254-A304 WeakPolarHBondContact O-CB 3.32Å; G254-A305 PolarHBondContact O-N 3.07Å; G254-K306 PolarHBondContact O-N 3.16Å; G254-K306 VanDerWaalsContact O-N 3.13Å
255	T	98.3	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.2	-178.1	80.7	0	0	0	0	114.2	L201 L252 P253 R300 A304 K306	L201-T255 HydrophobicContact CB-CG2 3.93Å; L252-T255 HydrophobicContact CB-CG2 4.26Å; L252-T255 WeakPolarHBondContact CB-OG1 3.44Å; L252-T255 HydrophobicContact CD2-CG2 3.76Å; L252-T255 HydrophobicContact CG-CG2 3.82Å; L252-T255 PolarHBondContact O-N 3.22Å; L252-T255 PolarHBondContact O-OG1 3.03Å; P253-T255 PolarHBondContact O-N 2.73Å; T255-R300 PolarHBondContact O-NH1 3.16Å; T255-R300 PolarHBondContact O-NH2 2.94Å; T255-A304 VanDerWaalsContact C-CB 3.46Å; T255-K306 CarbonylContact C-O 3.33Å; T255-K306 VanDerWaalsContact CA-O 3.23Å; T255-K306 WeakPolarHBondContact CA-O 3.34Å; T255-K306 HydrophobicContact CG2-CB 3.97Å
256	R	97.5	Very high	95.4	Very high	81 Å²	81	47 Å²	47	31%	0.306	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146	169.3	62.4	173.7	-178	78.7	-1.3	112.3	E258 R301 A304 K306 V307 W308	R256-E258 IonicContact CZ-OE2 3.26Å; R256-E258 IonicContact NH1-OE2 2.76Å; R256-E258 PolarHBondContact NH1-OE2 2.9Å; R256-E258 IonicContact NH2-OE2 3.47Å; R256-E258 PolarHBondContact NH2-OE2 3.44Å; R256-R301 HydrophobicContact CB-CB 4.06Å; R256-R301 HydrophobicContact CB-CG 3.95Å; R256-R301 WeakPolarHBondContact CD-O 3.42Å; R256-A304 HydrophobicContact CB-CB 3.85Å; R256-A304 HydrophobicContact CG-CB 4.01Å; R256-K306 PolarHBondContact N-O 2.83Å; R256-V307 HydrophobicContact CG-CG2 4.09Å; R256-V307 VanDerWaalsContact CZ-CG2 3.49Å; R256-V307 WeakPolarHBondContact O-CA 3.16Å; R256-W308 PolarHBondContact O-N 2.84Å
257	P	96.8	Very high	95	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.084	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	147.6	169.1	31.7	-34.5	0	0	0	111.6	M259 T288 W308	P257-M259 HydrophobicContact CB-CE 4.17Å; P257-T288 HydrophobicContact CB-CG2 3.63Å; P257-T288 HydrophobicContact CG-CG2 3.68Å; P257-W308 CarbonylContact C-O 3.39Å; P257-W308 VanDerWaalsContact CA-O 3.25Å; P257-W308 WeakPolarHBondContact CA-O 3.41Å; P257-W308 HydrophobicContact CB-CZ2 3.95Å
258	E	95	Very high	94.6	Very high	55 Å²	55	45 Å²	45	26%	0.257	27%	0.268	S	S	.	.			trans	-141.3	97.4	175	-173.2	178.3	107.6	0	0	110.4	K227 R256 V307 W308 G309 R311	K227-E258 WeakPolarHBondContact CE-OE1 3.13Å; K227-E258 IonicContact NZ-OE1 3.6Å; K227-E258 PolarHBondContact NZ-OE1 2.88Å; R256-E258 IonicContact CZ-OE2 3.26Å; R256-E258 IonicContact NH1-OE2 2.76Å; R256-E258 PolarHBondContact NH1-OE2 2.9Å; R256-E258 IonicContact NH2-OE2 3.47Å; R256-E258 PolarHBondContact NH2-OE2 3.44Å; E258-V307 HydrophobicContact CB-CG1 3.52Å; E258-V307 HydrophobicContact CG-CG1 4.38Å; E258-W308 PolarHBondContact N-O 2.85Å; E258-G309 VanDerWaalsContact O-CA 3.29Å; E258-G309 WeakPolarHBondContact O-CA 3.42Å; E258-R311 PolarHBondContact O-NH1 2.8Å
259	M	93.5	Very high	94.1	Very high	27 Å²	27	48 Å²	48	13%	0.133	28%	0.282	C	S	.	.			trans	-108.7	151.4	-173.4	-57.2	-63.6	171.7	0	0	110.7	P257 F264 A289 W308 F310	P257-M259 HydrophobicContact CB-CE 4.17Å; M259-F264 HydrophobicContact CB-CE2 4Å; M259-A289 HydrophobicContact CB-CB 3.73Å; M259-A289 HydrophobicContact CG-CB 3.88Å; M259-W308 HydrophobicContact CE-CE3 4.01Å; M259-W308 HydrophobicContact CE-CH2 3.66Å; M259-W308 HydrophobicContact CE-CZ2 4.42Å; M259-W308 HydrophobicContact CE-CZ3 3.43Å; M259-W308 VanDerWaalsContact CE-CZ3 3.43Å; M259-F310 HydrophobicContact CE-CD2 3.65Å; M259-F310 HydrophobicContact CE-CE2 4.35Å; M259-F310 HydrophobicContact CE-CG 4.44Å; M259-F310 HydrophobicContact SD-CB 3.84Å; M259-F310 HydrophobicContact SD-CD2 3.97Å; M259-F310 HydrophobicContact SD-CG 4.36Å; M259-F310 PolarHBondContact SD-N 2.95Å
260	V	93.4	Very high	93.5	Very high	53 Å²	53	50.2 Å²	50.2	32%	0.321	30%	0.3	S	S	.	.			trans	-80.5	120.6	167	-175.7	0	0	0	0	107.4	A262 D263 F264	V260-A262 VanDerWaalsContact C-N 3.34Å; V260-A262 HydrophobicContact CG1-CB 4.19Å; V260-A262 PolarHBondContact O-N 3.31Å; V260-D263 WeakPolarHBondContact O-CB 3.47Å; V260-D263 PolarHBondContact O-N 2.96Å; V260-F264 VanDerWaalsContact O-CD2 3.3Å; V260-F264 WeakPolarHBondContact O-CD2 3.37Å; V260-F264 WeakPolarHBondContact O-CE2 3.32Å
261	T	93.3	Very high	93.1	Very high	89 Å²	89	50 Å²	50	55%	0.546	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-65.4	-37.2	-176.6	48.8	0	0	0	0	112.5	D263 F264 L290	T261-D263 PolarHBondContact O-N 3.2Å; T261-F264 WeakPolarHBondContact O-CB 3.35Å; T261-F264 PolarHBondContact O-N 2.68Å; T261-F264 VanDerWaalsContact O-N 3.08Å; T261-L290 HydrophobicContact CG2-CD2 4.01Å
262	A	93.3	Very high	92.4	Very high	50 Å²	50	53 Å²	53	41%	0.413	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-59.5	-27.3	177.4	0	0	0	0	0	113.7	V260 F264 E265	V260-A262 VanDerWaalsContact C-N 3.34Å; V260-A262 HydrophobicContact CG1-CB 4.19Å; V260-A262 PolarHBondContact O-N 3.31Å; A262-F264 PolarHBondContact O-N 3.22Å; A262-E265 PolarHBondContact O-N 2.96Å
263	D	93.6	Very high	91.6	Very high	17 Å²	17	60.1 Å²	60.1	9%	0.091	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-63	-14.8	176.9	-74.6	-16.9	0	0	0	112.9	P236 V260 T261 F312 Y313	P236-D263 WeakPolarHBondContact CD-O 3.35Å; P236-D263 VanDerWaalsContact CG-O 3.26Å; P236-D263 WeakPolarHBondContact CG-O 3.32Å; V260-D263 WeakPolarHBondContact O-CB 3.47Å; V260-D263 PolarHBondContact O-N 2.96Å; T261-D263 PolarHBondContact O-N 3.2Å; D263-F312 HydrophobicContact CB-CB 4.16Å; D263-F312 HydrophobicContact CB-CD2 3.7Å; D263-F312 HydrophobicContact CB-CG 4.35Å; D263-F312 WeakPolarHBondContact OD2-CD2 3.33Å; D263-F312 PolarHBondContact OD2-N 3.14Å; D263-Y313 HydrophobicContact CB-CE2 4.21Å
264	F	94	Very high	91.2	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.035	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-107	0.8	-175.6	-62.8	-87.9	0	0	0	114.7	P236 M259 V260 T261 A262 G266 V267 L285 L286 A289 L290 F312	P236-F264 HydrophobicContact CB-CD1 4.09Å; P236-F264 HydrophobicContact CB-CE1 3.77Å; P236-F264 HydrophobicContact CG-CD1 3.81Å; P236-F264 HydrophobicContact CG-CE1 3.68Å; P236-F264 HydrophobicContact CG-CG 4.4Å; P236-F264 HydrophobicContact CG-CZ 4.18Å; M259-F264 HydrophobicContact CB-CE2 4Å; V260-F264 VanDerWaalsContact O-CD2 3.3Å; V260-F264 WeakPolarHBondContact O-CD2 3.37Å; V260-F264 WeakPolarHBondContact O-CE2 3.32Å; T261-F264 WeakPolarHBondContact O-CB 3.35Å; T261-F264 PolarHBondContact O-N 2.68Å; T261-F264 VanDerWaalsContact O-N 3.08Å; A262-F264 PolarHBondContact O-N 3.22Å; F264-G266 PolarHBondContact O-N 2.79Å; F264-V267 WeakPolarHBondContact O-CB 3.5Å; F264-V267 WeakPolarHBondContact O-CG2 3.32Å; F264-V267 PolarHBondContact O-N 3.24Å; F264-L285 HydrophobicContact CE1-CB 3.97Å; F264-L286 HydrophobicContact CB-CD2 3.98Å; F264-L286 HydrophobicContact CD1-CD2 3.87Å; F264-L286 HydrophobicContact CD1-CG 4.46Å; F264-L286 HydrophobicContact CG-CD2 4.33Å; F264-A289 HydrophobicContact CD1-CB 4.45Å; F264-A289 HydrophobicContact CD2-CB 3.78Å; F264-A289 HydrophobicContact CE1-CB 4.19Å; F264-A289 HydrophobicContact CE2-CB 3.48Å; F264-A289 VanDerWaalsContact CE2-CB 3.48Å; F264-A289 HydrophobicContact CG-CB 4.26Å; F264-A289 HydrophobicContact CZ-CB 3.69Å; F264-L290 HydrophobicContact CB-CD1 4.1Å; F264-L290 HydrophobicContact CB-CD2 4.36Å; F264-L290 HydrophobicContact CB-CG 4.44Å; F264-F312 HydrophobicContact CE1-CE2 4.37Å; F264-F312 HydrophobicContact CE2-CE2 4.2Å; F264-F312 HydrophobicContact CZ-CD2 4.46Å; F264-F312 AromaticContact CZ-CE2 3.69Å; F264-F312 HydrophobicContact CZ-CE2 3.69Å; F264-F312 HydrophobicContact CZ-CZ 4.46Å
265	E	91.3	Very high	90.9	Very high	152 Å²	152	61 Å²	61	71%	0.71	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	134.8	176.2	-69.8	175.3	-161.4	0	0	111.1	A262 V267	A262-E265 PolarHBondContact O-N 2.96Å; E265-V267 PolarHBondContact O-N 3.48Å; E265-V267 VanDerWaalsContact O-N 3.09Å
266	G	88.4	Confident	90.6	Very high	47 Å²	47	70.1 Å²	70.1	49%	0.485	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-4.8	-177.4	0	0	0	0	0	116.1	F264 E269 A270	F264-G266 PolarHBondContact O-N 2.79Å; G266-E269 VanDerWaalsContact CA-OE2 3.22Å; G266-E269 WeakPolarHBondContact CA-OE2 3.11Å; G266-A270 PolarHBondContact O-N 2.98Å
267	V	90.4	Very high	90.3	Very high	6 Å²	6	71.2 Å²	71.2	4%	0.036	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-33.3	-175.9	174.6	0	0	0	0	111.9	P236 M237 F264 E265 A270 L271 T282 L286	P236-V267 HydrophobicContact CG-CG2 4.36Å; M237-V267 HydrophobicContact CG-CG1 3.95Å; F264-V267 WeakPolarHBondContact O-CB 3.5Å; F264-V267 WeakPolarHBondContact O-CG2 3.32Å; F264-V267 PolarHBondContact O-N 3.24Å; E265-V267 PolarHBondContact O-N 3.48Å; E265-V267 VanDerWaalsContact O-N 3.09Å; V267-A270 PolarHBondContact O-N 2.84Å; V267-L271 WeakPolarHBondContact O-CG 3.35Å; V267-T282 HydrophobicContact CG1-CG2 3.48Å; V267-T282 VanDerWaalsContact CG1-CG2 3.48Å; V267-L286 HydrophobicContact CB-CD2 4.23Å; V267-L286 HydrophobicContact CG1-CD1 4.3Å; V267-L286 HydrophobicContact CG1-CD2 4.2Å; V267-L286 HydrophobicContact CG1-CG 4.37Å
268	S	88.4	Confident	90	Very high	71 Å²	71	73.7 Å²	73.7	50%	0.497	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-43.6	179.7	-171.1	0	0	0	0	111.6	A270 L271	S268-A270 VanDerWaalsContact C-N 3.3Å; S268-A270 PolarHBondContact O-N 2.97Å; S268-L271 WeakPolarHBondContact O-CB 3.44Å; S268-L271 PolarHBondContact O-N 3.22Å
269	E	88.1	Confident	90	Very high	118 Å²	118	74.1 Å²	74.1	55%	0.551	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-62.6	-39.1	-180	-66.3	63	-141.9	0	0	110.9	G266 L271	G266-E269 VanDerWaalsContact CA-OE2 3.22Å; G266-E269 WeakPolarHBondContact CA-OE2 3.11Å; E269-L271 VanDerWaalsContact C-N 3.25Å; E269-L271 PolarHBondContact O-N 3.28Å
270	A	85.8	Confident	90.1	Very high	47 Å²	47	79.3 Å²	79.3	39%	0.388	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-73.8	-5.2	179.5	0	0	0	0	0	114.6	M237 G266 V267 S268 V274	M237-A270 HydrophobicContact CE-CB 3.8Å; M237-A270 HydrophobicContact SD-CB 3.54Å; M237-A270 VanDerWaalsContact SD-CB 3.54Å; G266-A270 PolarHBondContact O-N 2.98Å; V267-A270 PolarHBondContact O-N 2.84Å; S268-A270 VanDerWaalsContact C-N 3.3Å; S268-A270 PolarHBondContact O-N 2.97Å; A270-V274 VanDerWaalsContact O-CG2 3.27Å; A270-V274 WeakPolarHBondContact O-CG2 3.5Å
271	L	86.6	Confident	90.2	Very high	9 Å²	9	77 Å²	77	5%	0.047	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-88.3	3	179.7	-71.5	176.3	0	0	0	115.4	M237 V267 S268 E269 V274 K279 T282 E283 L286	M237-L271 HydrophobicContact CE-CD2 4.43Å; V267-L271 WeakPolarHBondContact O-CG 3.35Å; S268-L271 WeakPolarHBondContact O-CB 3.44Å; S268-L271 PolarHBondContact O-N 3.22Å; E269-L271 VanDerWaalsContact C-N 3.25Å; E269-L271 PolarHBondContact O-N 3.28Å; L271-V274 HydrophobicContact CD2-CB 4.22Å; L271-V274 HydrophobicContact CD2-CG1 4.23Å; L271-V274 HydrophobicContact CD2-CG2 4.19Å; L271-K279 WeakPolarHBondContact O-CD 3.36Å; L271-K279 WeakPolarHBondContact O-CE 3.4Å; L271-K279 PolarHBondContact O-NZ 3.03Å; L271-T282 HydrophobicContact CD1-CG2 3.99Å; L271-T282 HydrophobicContact CD2-CG2 3.93Å; L271-T282 HydrophobicContact CG-CG2 4.35Å; L271-E283 HydrophobicContact CD1-CG 4.29Å; L271-L286 HydrophobicContact CD1-CD1 3.62Å
272	K	82.1	Confident	90.3	Very high	156 Å²	156	72.8 Å²	72.8	68%	0.678	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-51	-177.3	-70.3	175.7	-175.9	174.7	0	111.9
273	D	81	Confident	90.4	Very high	159 Å²	159	74.5 Å²	74.5	85%	0.85	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	16.1	-172.2	-52.2	-59.3	0	0	0	114
274	V	87.4	Confident	90.5	Very high	28 Å²	28	74.6 Å²	74.6	17%	0.17	38%	0.382	C	S	.	.	S	Bend	trans	-87.2	133.6	-174.5	172.3	0	0	0	0	111.7	M237 A270 L271 R276 R278 K279	M237-V274 HydrophobicContact CE-CG2 3.83Å; A270-V274 VanDerWaalsContact O-CG2 3.27Å; A270-V274 WeakPolarHBondContact O-CG2 3.5Å; L271-V274 HydrophobicContact CD2-CB 4.22Å; L271-V274 HydrophobicContact CD2-CG1 4.23Å; L271-V274 HydrophobicContact CD2-CG2 4.19Å; V274-R276 PolarHBondContact O-N 3.34Å; V274-R278 HydrophobicContact CG1-CB 3.65Å; V274-R278 HydrophobicContact CG1-CG 3.56Å; V274-K279 HydrophobicContact CB-CB 4.46Å; V274-K279 HydrophobicContact CG1-CB 4.18Å
275	P	90.6	Very high	90.6	Very high	95 Å²	95	74.2 Å²	74.2	62%	0.617	38%	0.381	S	S	*	.			trans	-52.8	138.3	178.5	-29.5	35.6	0	0	0	113.7	P277 R278 K279	P275-P277 VanDerWaalsContact C-CD 3.41Å; P275-P277 VanDerWaalsContact O-N 3.08Å; P275-R278 WeakPolarHBondContact O-CA 3.38Å; P275-R278 PolarHBondContact O-N 3.39Å; P275-K279 PolarHBondContact O-N 3.25Å
276	R	92.9	Very high	90.8	Very high	192 Å²	192	68 Å²	68	73%	0.725	35%	0.352	S	S	*	.	H	α-helix	trans	-46.3	-42.6	-172.5	-171.2	-178.9	-174.9	-166.7	3.8	115.5	V274 R280	V274-R276 PolarHBondContact O-N 3.34Å; R276-R280 WeakPolarHBondContact O-CG 3.42Å; R276-R280 PolarHBondContact O-N 3.37Å; R276-R280 VanDerWaalsContact O-N 3.11Å
277	P	90.4	Very high	91.1	Very high	104 Å²	104	71.7 Å²	71.7	68%	0.675	36%	0.355	S	S	*	.	H	α-helix	trans	-63.4	-41.6	177.4	-21.9	34.6	0	0	0	112.8	P275 L281	P275-P277 VanDerWaalsContact C-CD 3.41Å; P275-P277 VanDerWaalsContact O-N 3.08Å; P277-L281 PolarHBondContact O-N 3.18Å
278	R	91	Very high	91.3	Very high	64 Å²	64	71.8 Å²	71.8	24%	0.242	36%	0.356	C	S	.	.	H	α-helix	trans	-71.8	-42	178.7	-176.7	49.2	147.4	-147.8	-8.2	111.3	M237 Q238 V239 V274 P275 R280 L281 T282	M237-R278 VanDerWaalsContact O-CZ 3.26Å; M237-R278 PolarHBondContact O-NE 2.69Å; M237-R278 PolarHBondContact O-NH2 2.87Å; Q238-R278 VanDerWaalsContact C-NH2 3.3Å; Q238-R278 VanDerWaalsContact CA-NH2 3.26Å; V239-R278 PolarHBondContact O-NH1 3.27Å; V239-R278 PolarHBondContact O-NH2 3.19Å; V274-R278 HydrophobicContact CG1-CB 3.65Å; V274-R278 HydrophobicContact CG1-CG 3.56Å; P275-R278 WeakPolarHBondContact O-CA 3.38Å; P275-R278 PolarHBondContact O-N 3.39Å; R278-R280 PolarHBondContact O-N 2.83Å; R278-L281 WeakPolarHBondContact O-CB 3.18Å; R278-L281 PolarHBondContact O-N 3Å; R278-T282 PolarHBondContact O-N 3.35Å; R278-T282 PolarHBondContact O-OG1 2.73Å
279	K	93.8	Very high	91.6	Very high	64 Å²	64	69.4 Å²	69.4	28%	0.278	34%	0.34	S	S	.	.	H	α-helix	trans	-56.1	-51.7	176.5	-179.6	164.7	-174.1	151.9	0	112.3	L271 V274 P275 L281 T282 E283	L271-K279 WeakPolarHBondContact O-CD 3.36Å; L271-K279 WeakPolarHBondContact O-CE 3.4Å; L271-K279 PolarHBondContact O-NZ 3.03Å; V274-K279 HydrophobicContact CB-CB 4.46Å; V274-K279 HydrophobicContact CG1-CB 4.18Å; P275-K279 PolarHBondContact O-N 3.25Å; K279-L281 VanDerWaalsContact C-N 3.26Å; K279-L281 PolarHBondContact O-N 2.95Å; K279-T282 PolarHBondContact O-N 3.28Å; K279-E283 WeakPolarHBondContact CE-OE1 3.38Å; K279-E283 HydrophobicContact CG-CG 4.29Å; K279-E283 VanDerWaalsContact CG-OE1 3.26Å; K279-E283 WeakPolarHBondContact CG-OE1 3.21Å; K279-E283 WeakPolarHBondContact O-CB 3.41Å; K279-E283 VanDerWaalsContact O-CG 3.28Å; K279-E283 WeakPolarHBondContact O-CG 3.48Å; K279-E283 PolarHBondContact O-N 3.09Å
280	R	95.8	Very high	91.8	Very high	136 Å²	136	68 Å²	68	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-63.5	-28.5	179.4	-66.1	-178.3	81.9	-167.8	7	114.1	I243 R276 R278 E283 L284	I243-R280 HydrophobicContact CD1-CB 3.76Å; I243-R280 VanDerWaalsContact CD1-O 3.3Å; I243-R280 WeakPolarHBondContact CD1-O 3.34Å; R276-R280 WeakPolarHBondContact O-CG 3.42Å; R276-R280 PolarHBondContact O-N 3.37Å; R276-R280 VanDerWaalsContact O-N 3.11Å; R278-R280 PolarHBondContact O-N 2.83Å; R280-E283 WeakPolarHBondContact CA-OE2 3.43Å; R280-L284 PolarHBondContact O-N 3.38Å
281	L	96.1	Very high	91.9	Very high	6 Å²	6	69.6 Å²	69.6	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-70.3	-49	174.5	175.7	72.1	0	0	0	110.6	V239 C241 I243 L246 P277 R278 K279 L284 L285	V239-L281 HydrophobicContact CG2-CD2 3.65Å; V239-L281 HydrophobicContact CG2-CG 4.38Å; C241-L281 VanDerWaalsContact O-CD2 3.22Å; C241-L281 WeakPolarHBondContact O-CD2 3.22Å; I243-L281 HydrophobicContact CB-CB 4.48Å; I243-L281 HydrophobicContact CB-CD1 4.06Å; I243-L281 HydrophobicContact CG1-CD1 4.44Å; L246-L281 HydrophobicContact CB-CD1 4.16Å; L246-L281 HydrophobicContact CD2-CD1 3.65Å; P277-L281 PolarHBondContact O-N 3.18Å; R278-L281 WeakPolarHBondContact O-CB 3.18Å; R278-L281 PolarHBondContact O-N 3Å; K279-L281 VanDerWaalsContact C-N 3.26Å; K279-L281 PolarHBondContact O-N 2.95Å; L281-L284 WeakPolarHBondContact O-CB 3.47Å; L281-L284 PolarHBondContact O-N 2.99Å; L281-L285 PolarHBondContact O-N 3.01Å; L281-L285 VanDerWaalsContact O-N 3.07Å
282	T	94.9	Very high	91.9	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-68.8	-36	179.4	-45.8	0	0	0	0	112.1	M237 V267 L271 R278 K279 L284 L285 L286	M237-T282 HydrophobicContact CG-CG2 4.48Å; V267-T282 HydrophobicContact CG1-CG2 3.48Å; V267-T282 VanDerWaalsContact CG1-CG2 3.48Å; L271-T282 HydrophobicContact CD1-CG2 3.99Å; L271-T282 HydrophobicContact CD2-CG2 3.93Å; L271-T282 HydrophobicContact CG-CG2 4.35Å; R278-T282 PolarHBondContact O-N 3.35Å; R278-T282 PolarHBondContact O-OG1 2.73Å; K279-T282 PolarHBondContact O-N 3.28Å; T282-L284 VanDerWaalsContact C-N 3.27Å; T282-L284 PolarHBondContact O-N 2.83Å; T282-L285 WeakPolarHBondContact O-CB 3.23Å; T282-L285 PolarHBondContact O-N 2.86Å; T282-L285 VanDerWaalsContact O-N 3.12Å; T282-L286 HydrophobicContact CG2-CD1 4.48Å; T282-L286 WeakPolarHBondContact O-CG 3.47Å; T282-L286 PolarHBondContact O-N 2.98Å
283	E	95.7	Very high	92.1	Very high	85 Å²	85	68 Å²	68	40%	0.397	35%	0.352	S	S	.	.	H	α-helix	trans	-57	-39.7	170.1	-74.2	167.4	171.9	0	0	111.6	L271 K279 R280 K287	L271-E283 HydrophobicContact CD1-CG 4.29Å; K279-E283 WeakPolarHBondContact CE-OE1 3.38Å; K279-E283 HydrophobicContact CG-CG 4.29Å; K279-E283 VanDerWaalsContact CG-OE1 3.26Å; K279-E283 WeakPolarHBondContact CG-OE1 3.21Å; K279-E283 WeakPolarHBondContact O-CB 3.41Å; K279-E283 VanDerWaalsContact O-CG 3.28Å; K279-E283 WeakPolarHBondContact O-CG 3.48Å; K279-E283 PolarHBondContact O-N 3.09Å; R280-E283 WeakPolarHBondContact CA-OE2 3.43Å; E283-K287 VanDerWaalsContact O-CB 3.28Å; E283-K287 WeakPolarHBondContact O-CB 3.35Å; E283-K287 PolarHBondContact O-N 2.9Å
284	L	96.6	Very high	92.5	Very high	19 Å²	19	62.9 Å²	62.9	10%	0.099	34%	0.337	C	S	.	.	H	α-helix	trans	-68.7	-37.5	174.8	179.9	60.2	0	0	0	112.1	I243 L246 R247 R280 L281 T282 T288	I243-L284 HydrophobicContact CG1-CD2 3.96Å; L246-L284 HydrophobicContact CB-CD2 4.43Å; L246-L284 HydrophobicContact CD2-CB 4.29Å; L246-L284 HydrophobicContact CD2-CD2 3.9Å; L246-L284 HydrophobicContact CD2-CG 3.99Å; L246-L284 HydrophobicContact CG-CD2 3.98Å; L246-L284 HydrophobicContact CG-CG 4.37Å; R247-L284 HydrophobicContact CB-CD2 4.02Å; R280-L284 PolarHBondContact O-N 3.38Å; L281-L284 WeakPolarHBondContact O-CB 3.47Å; L281-L284 PolarHBondContact O-N 2.99Å; T282-L284 VanDerWaalsContact C-N 3.27Å; T282-L284 PolarHBondContact O-N 2.83Å; L284-T288 VanDerWaalsContact O-CB 3.3Å; L284-T288 WeakPolarHBondContact O-CB 3.27Å; L284-T288 PolarHBondContact O-N 2.91Å; L284-T288 PolarHBondContact O-OG1 2.94Å
285	L	96.3	Very high	92.7	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-64.3	-50.5	174.1	-71.3	171.9	0	0	0	111.6	P236 V239 L246 F264 L281 T282 K287 T288 A289 F310	P236-L285 HydrophobicContact CB-CD1 4.39Å; V239-L285 HydrophobicContact CG1-CD1 4.22Å; V239-L285 HydrophobicContact CG2-CD1 4.14Å; L246-L285 HydrophobicContact CD1-CD2 3.84Å; L246-L285 HydrophobicContact CD2-CD2 3.49Å; L246-L285 VanDerWaalsContact CD2-CD2 3.49Å; L246-L285 HydrophobicContact CD2-CG 3.63Å; L246-L285 HydrophobicContact CG-CD2 4.34Å; F264-L285 HydrophobicContact CE1-CB 3.97Å; L281-L285 PolarHBondContact O-N 3.01Å; L281-L285 VanDerWaalsContact O-N 3.07Å; T282-L285 WeakPolarHBondContact O-CB 3.23Å; T282-L285 PolarHBondContact O-N 2.86Å; T282-L285 VanDerWaalsContact O-N 3.12Å; L285-K287 PolarHBondContact O-N 2.66Å; L285-T288 WeakPolarHBondContact O-CB 3.36Å; L285-T288 PolarHBondContact O-N 3.28Å; L285-A289 WeakPolarHBondContact O-CB 3.37Å; L285-A289 PolarHBondContact O-N 3.23Å; L285-F310 HydrophobicContact CD2-CD2 3.87Å; L285-F310 HydrophobicContact CD2-CE2 3.53Å
286	L	95.4	Very high	92.7	Very high	20 Å²	20	72.9 Å²	72.9	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-54.1	-52.3	176.6	-76.1	167.8	0	0	0	110.9	F264 V267 L271 T282 T288 A289 L290	F264-L286 HydrophobicContact CB-CD2 3.98Å; F264-L286 HydrophobicContact CD1-CD2 3.87Å; F264-L286 HydrophobicContact CD1-CG 4.46Å; F264-L286 HydrophobicContact CG-CD2 4.33Å; V267-L286 HydrophobicContact CB-CD2 4.23Å; V267-L286 HydrophobicContact CG1-CD1 4.3Å; V267-L286 HydrophobicContact CG1-CD2 4.2Å; V267-L286 HydrophobicContact CG1-CG 4.37Å; L271-L286 HydrophobicContact CD1-CD1 3.62Å; T282-L286 HydrophobicContact CG2-CD1 4.48Å; T282-L286 WeakPolarHBondContact O-CG 3.47Å; T282-L286 PolarHBondContact O-N 2.98Å; L286-T288 VanDerWaalsContact C-N 3.26Å; L286-T288 PolarHBondContact O-N 3.29Å; L286-A289 PolarHBondContact O-N 2.86Å; L286-A289 VanDerWaalsContact O-N 3.15Å; L286-L290 HydrophobicContact CD2-CD1 3.75Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 3.23Å
287	K	94.6	Very high	92.6	Very high	126 Å²	126	65.9 Å²	65.9	55%	0.548	35%	0.35	S	S	.	.	H	α-helix	trans	-58.2	-36.1	175.5	170.8	150.4	-164	152.2	0	113.3	E283 L285 D291	E283-K287 VanDerWaalsContact O-CB 3.28Å; E283-K287 WeakPolarHBondContact O-CB 3.35Å; E283-K287 PolarHBondContact O-N 2.9Å; L285-K287 PolarHBondContact O-N 2.66Å; K287-D291 VanDerWaalsContact CD-OD2 3.28Å; K287-D291 WeakPolarHBondContact CD-OD2 3.22Å; K287-D291 WeakPolarHBondContact CE-OD2 3.46Å; K287-D291 HydrophobicContact CG-CB 4.2Å; K287-D291 VanDerWaalsContact CG-OD2 3.22Å; K287-D291 WeakPolarHBondContact CG-OD2 3.05Å; K287-D291 IonicContact NZ-OD2 3.66Å; K287-D291 WeakPolarHBondContact O-CB 3.28Å; K287-D291 PolarHBondContact O-N 3.44Å
288	T	94.2	Very high	92.6	Very high	8 Å²	8	65.3 Å²	65.3	5%	0.049	34%	0.341	C	S	.	.	H	α-helix	trans	-72	-33.6	-180	-59.7	0	0	0	0	111.8	V250 P257 L284 L285 L286	V250-T288 HydrophobicContact CG2-CG2 3.86Å; P257-T288 HydrophobicContact CB-CG2 3.63Å; P257-T288 HydrophobicContact CG-CG2 3.68Å; L284-T288 VanDerWaalsContact O-CB 3.3Å; L284-T288 WeakPolarHBondContact O-CB 3.27Å; L284-T288 PolarHBondContact O-N 2.91Å; L284-T288 PolarHBondContact O-OG1 2.94Å; L285-T288 WeakPolarHBondContact O-CB 3.36Å; L285-T288 PolarHBondContact O-N 3.28Å; L286-T288 VanDerWaalsContact C-N 3.26Å; L286-T288 PolarHBondContact O-N 3.29Å
289	A	94	Very high	92.7	Very high	20 Å²	20	66.3 Å²	66.3	17%	0.165	35%	0.349	C	S	.	.	H	α-helix	trans	-91.6	-34.3	-174.5	0	0	0	0	0	114.6	M259 F264 L285 L286	M259-A289 HydrophobicContact CB-CB 3.73Å; M259-A289 HydrophobicContact CG-CB 3.88Å; F264-A289 HydrophobicContact CD1-CB 4.45Å; F264-A289 HydrophobicContact CD2-CB 3.78Å; F264-A289 HydrophobicContact CE1-CB 4.19Å; F264-A289 HydrophobicContact CE2-CB 3.48Å; F264-A289 VanDerWaalsContact CE2-CB 3.48Å; F264-A289 HydrophobicContact CG-CB 4.26Å; F264-A289 HydrophobicContact CZ-CB 3.69Å; L285-A289 WeakPolarHBondContact O-CB 3.37Å; L285-A289 PolarHBondContact O-N 3.23Å; L286-A289 PolarHBondContact O-N 2.86Å; L286-A289 VanDerWaalsContact O-N 3.15Å
290	L	92.4	Very high	92.7	Very high	89 Å²	89	66.3 Å²	66.3	47%	0.466	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-34.9	-167.6	-55	-179.5	0	0	0	114.2	T261 F264 L286	T261-L290 HydrophobicContact CG2-CD2 4.01Å; F264-L290 HydrophobicContact CB-CD1 4.1Å; F264-L290 HydrophobicContact CB-CD2 4.36Å; F264-L290 HydrophobicContact CB-CG 4.44Å; L286-L290 HydrophobicContact CD2-CD1 3.75Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 3.23Å
291	D	88.5	Confident	92.6	Very high	80 Å²	80	62 Å²	62	43%	0.428	33%	0.33	S	S	.	.	S	Bend	trans	-70	136	-178.1	-66.9	11.3	0	0	0	110.7	K287 P293	K287-D291 VanDerWaalsContact CD-OD2 3.28Å; K287-D291 WeakPolarHBondContact CD-OD2 3.22Å; K287-D291 WeakPolarHBondContact CE-OD2 3.46Å; K287-D291 HydrophobicContact CG-CB 4.2Å; K287-D291 VanDerWaalsContact CG-OD2 3.22Å; K287-D291 WeakPolarHBondContact CG-OD2 3.05Å; K287-D291 IonicContact NZ-OD2 3.66Å; K287-D291 WeakPolarHBondContact O-CB 3.28Å; K287-D291 PolarHBondContact O-N 3.44Å; D291-P293 WeakPolarHBondContact O-CD 3.15Å
292	A	85.4	Confident	92.4	Very high	95 Å²	95	70.8 Å²	70.8	79%	0.785	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-62.4	122	164.1	0	0	0	0	0	109.6
293	P	86.8	Confident	92.3	Very high	37 Å²	37	76 Å²	76	24%	0.24	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-70	140.2	176.2	28.5	-33.1	0	0	0	110.4	D291 E297 L298	D291-P293 WeakPolarHBondContact O-CD 3.15Å; P293-E297 HydrophobicContact CB-CB 3.89Å; P293-E297 HydrophobicContact CB-CG 3.53Å; P293-L298 HydrophobicContact CG-CB 4.14Å; P293-L298 HydrophobicContact CG-CD1 4.02Å
294	G	89.3	Confident	92.3	Very high	52 Å²	52	72.6 Å²	72.6	54%	0.536	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-65.4	156.1	171	0	0	0	0	0	112	K296 E297 L298	G294-K296 VanDerWaalsContact C-N 3.29Å; G294-K296 PolarHBondContact O-N 2.86Å; G294-E297 WeakPolarHBondContact O-CA 3.18Å; G294-E297 PolarHBondContact O-N 3.42Å; G294-L298 PolarHBondContact O-N 2.99Å
295	D	92	Very high	92.3	Very high	140 Å²	140	75.5 Å²	75.5	75%	0.749	40%	0.404	S	S	*	.	H	α-helix	trans	-42.7	-45.7	-163.9	-46.8	-25.1	0	0	0	115.5	E297 L298 E299	D295-E297 PolarHBondContact O-N 3.27Å; D295-L298 PolarHBondContact O-N 3.5Å; D295-E299 WeakPolarHBondContact O-CB 3.31Å; D295-E299 PolarHBondContact O-N 3Å
296	K	90.8	Very high	92.4	Very high	193 Å²	193	77.7 Å²	77.7	84%	0.839	41%	0.414	S	S	*	.	H	α-helix	trans	-62.9	-39	179.3	-69.2	-174.9	176.5	-177.7	0	113.4	G294 R300	G294-K296 VanDerWaalsContact C-N 3.29Å; G294-K296 PolarHBondContact O-N 2.86Å; K296-R300 WeakPolarHBondContact O-CB 3.4Å; K296-R300 PolarHBondContact O-N 2.73Å; K296-R300 VanDerWaalsContact O-N 3.08Å
297	E	90.6	Very high	92.5	Very high	44 Å²	44	77.5 Å²	77.5	21%	0.206	41%	0.413	C	S	.	.	H	α-helix	trans	-78.8	-33.5	176.9	173.6	62.3	-171.4	0	0	111	P293 G294 D295 R300 R301	P293-E297 HydrophobicContact CB-CB 3.89Å; P293-E297 HydrophobicContact CB-CG 3.53Å; G294-E297 WeakPolarHBondContact O-CA 3.18Å; G294-E297 PolarHBondContact O-N 3.42Å; D295-E297 PolarHBondContact O-N 3.27Å; E297-R300 PolarHBondContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.14Å; E297-R300 IonicContact OE1-NE 3.3Å; E297-R300 IonicContact OE1-NH2 2.69Å; E297-R300 PolarHBondContact OE1-NH2 3.03Å; E297-R300 IonicContact OE2-CZ 3.9Å; E297-R300 IonicContact OE2-NE 3.45Å; E297-R300 PolarHBondContact OE2-NE 3.45Å; E297-R300 IonicContact OE2-NH2 2.87Å; E297-R300 PolarHBondContact OE2-NH2 2.98Å; E297-R301 WeakPolarHBondContact O-CB 3.33Å; E297-R301 VanDerWaalsContact O-CG 3.28Å; E297-R301 WeakPolarHBondContact O-CG 3.5Å; E297-R301 PolarHBondContact O-N 3.36Å; E297-R301 IonicContact OE1-CZ 2.71Å; E297-R301 IonicContact OE1-NE 2.7Å; E297-R301 PolarHBondContact OE1-NE 2.78Å; E297-R301 IonicContact OE1-NH2 3.82Å; E297-R301 PolarHBondContact OE1-NH2 3.37Å
298	L	90.9	Very high	92.7	Very high	92 Å²	92	71.5 Å²	71.5	48%	0.482	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-47.8	172.3	-176.8	65.2	0	0	0	111	P293 G294 D295 R301 R302	P293-L298 HydrophobicContact CG-CB 4.14Å; P293-L298 HydrophobicContact CG-CD1 4.02Å; G294-L298 PolarHBondContact O-N 2.99Å; D295-L298 PolarHBondContact O-N 3.5Å; L298-R301 PolarHBondContact O-N 3.36Å; L298-R302 PolarHBondContact O-N 3.36Å
299	E	93.2	Very high	92.9	Very high	85 Å²	85	71.1 Å²	71.1	40%	0.397	39%	0.385	S	S	.	.	H	α-helix	trans	-67.7	-38.8	178.3	-170.7	56.3	-151.6	0	0	111.9	D295 R301 R302 N303	D295-E299 WeakPolarHBondContact O-CB 3.31Å; D295-E299 PolarHBondContact O-N 3Å; E299-R301 VanDerWaalsContact C-N 3.32Å; E299-R301 PolarHBondContact O-N 3.32Å; E299-R302 PolarHBondContact O-N 3.46Å; E299-R302 IonicContact OE2-NH1 2.62Å; E299-N303 PolarHBondContact O-N 3.46Å; E299-N303 VanDerWaalsContact O-N 3.07Å; E299-N303 PolarHBondContact O-ND2 3.49Å; E299-N303 PolarHBondContact OE1-ND2 3.14Å
300	R	93.9	Very high	93.1	Very high	64 Å²	64	70.1 Å²	70.1	24%	0.242	38%	0.377	C	S	.	.	H	α-helix	trans	-59.6	-41.9	171.4	-167.6	-165.1	69.9	81.2	1.8	111.9	V250 L252 T255 K296 E297 A304	V250-R300 PolarHBondContact O-NH2 3.43Å; L252-R300 PolarHBondContact O-NH1 2.86Å; T255-R300 PolarHBondContact O-NH1 3.16Å; T255-R300 PolarHBondContact O-NH2 2.94Å; K296-R300 WeakPolarHBondContact O-CB 3.4Å; K296-R300 PolarHBondContact O-N 2.73Å; K296-R300 VanDerWaalsContact O-N 3.08Å; E297-R300 PolarHBondContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.14Å; E297-R300 IonicContact OE1-NE 3.3Å; E297-R300 IonicContact OE1-NH2 2.69Å; E297-R300 PolarHBondContact OE1-NH2 3.03Å; E297-R300 IonicContact OE2-CZ 3.9Å; E297-R300 IonicContact OE2-NE 3.45Å; E297-R300 PolarHBondContact OE2-NE 3.45Å; E297-R300 IonicContact OE2-NH2 2.87Å; E297-R300 PolarHBondContact OE2-NH2 2.98Å; R300-A304 PolarHBondContact O-N 3.03Å
301	R	91.9	Very high	93.3	Very high	45 Å²	45	67.7 Å²	67.7	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-70.5	-37.5	177.4	-73.8	179.7	-171.5	-163.9	4.7	112.4	R256 E297 L298 E299 N303 A304	R256-R301 HydrophobicContact CB-CB 4.06Å; R256-R301 HydrophobicContact CB-CG 3.95Å; R256-R301 WeakPolarHBondContact CD-O 3.42Å; E297-R301 WeakPolarHBondContact O-CB 3.33Å; E297-R301 VanDerWaalsContact O-CG 3.28Å; E297-R301 WeakPolarHBondContact O-CG 3.5Å; E297-R301 PolarHBondContact O-N 3.36Å; E297-R301 IonicContact OE1-CZ 2.71Å; E297-R301 IonicContact OE1-NE 2.7Å; E297-R301 PolarHBondContact OE1-NE 2.78Å; E297-R301 IonicContact OE1-NH2 3.82Å; E297-R301 PolarHBondContact OE1-NH2 3.37Å; L298-R301 PolarHBondContact O-N 3.36Å; E299-R301 VanDerWaalsContact C-N 3.32Å; E299-R301 PolarHBondContact O-N 3.32Å; R301-N303 VanDerWaalsContact C-N 3.3Å; R301-N303 PolarHBondContact O-N 2.82Å; R301-A304 WeakPolarHBondContact O-CB 3.44Å; R301-A304 PolarHBondContact O-N 3.47Å
302	R	91.9	Very high	93.8	Very high	192 Å²	192	63.9 Å²	63.9	73%	0.725	34%	0.341	S	S	*	.	H	α-helix	trans	-60.3	-41	174.7	174.4	180	-90.7	169.2	-10.4	111.4	L298 E299 A304	L298-R302 PolarHBondContact O-N 3.36Å; E299-R302 PolarHBondContact O-N 3.46Å; E299-R302 IonicContact OE2-NH1 2.62Å; R302-A304 VanDerWaalsContact C-N 3.29Å; R302-A304 PolarHBondContact O-N 2.72Å
303	N	94.4	Very high	94.3	Very high	110 Å²	110	61.7 Å²	61.7	59%	0.588	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	7.7	179.6	-63.1	-45.2	0	0	0	114	E299 R301 A305	E299-N303 PolarHBondContact O-N 3.46Å; E299-N303 VanDerWaalsContact O-N 3.07Å; E299-N303 PolarHBondContact O-ND2 3.49Å; E299-N303 PolarHBondContact OE1-ND2 3.14Å; R301-N303 VanDerWaalsContact C-N 3.3Å; R301-N303 PolarHBondContact O-N 2.82Å; N303-A305 PolarHBondContact O-N 3.23Å
304	A	95.9	Very high	94.9	Very high	12 Å²	12	62 Å²	62	10%	0.099	31%	0.309	C	S	.	.			trans	-82.9	112.8	178.7	0	0	0	0	0	111.5	G254 T255 R256 R300 R301 R302 K306	G254-A304 CarbonylContact O-C 3.38Å; G254-A304 WeakPolarHBondContact O-CA 3.36Å; G254-A304 WeakPolarHBondContact O-CB 3.32Å; T255-A304 VanDerWaalsContact C-CB 3.46Å; R256-A304 HydrophobicContact CB-CB 3.85Å; R256-A304 HydrophobicContact CG-CB 4.01Å; R300-A304 PolarHBondContact O-N 3.03Å; R301-A304 WeakPolarHBondContact O-CB 3.44Å; R301-A304 PolarHBondContact O-N 3.47Å; R302-A304 VanDerWaalsContact C-N 3.29Å; R302-A304 PolarHBondContact O-N 2.72Å; A304-K306 VanDerWaalsContact C-N 3.3Å; A304-K306 PolarHBondContact O-N 3.2Å
305	A	95.9	Very high	95.3	Very high	81 Å²	81	60.5 Å²	60.5	67%	0.669	29%	0.291	S	S	*	.			trans	-74.2	-18.8	176.2	0	0	0	0	0	113.7	G254 N303	G254-A305 PolarHBondContact O-N 3.07Å; N303-A305 PolarHBondContact O-N 3.23Å
306	K	98.4	Very high	95.6	Very high	47 Å²	47	55.6 Å²	55.6	20%	0.204	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.4	-177	-75.2	-177.3	167.9	-168	0	111.6	L200 L201 V225 Q226 G254 T255 R256 A304	L200-K306 PolarHBondContact O-NZ 3.18Å; L200-K306 VanDerWaalsContact O-NZ 3.09Å; L201-K306 HydrophobicContact CB-CD 4.14Å; L201-K306 HydrophobicContact CD2-CB 4.17Å; L201-K306 HydrophobicContact CD2-CD 3.86Å; L201-K306 HydrophobicContact CD2-CG 4.21Å; L201-K306 WeakPolarHBondContact O-CD 3.2Å; L201-K306 PolarHBondContact O-NZ 3.21Å; V225-K306 WeakPolarHBondContact O-CE 3.34Å; Q226-K306 CarbonylContact O-C 3.56Å; Q226-K306 WeakPolarHBondContact O-CA 3.33Å; G254-K306 PolarHBondContact O-N 3.16Å; G254-K306 VanDerWaalsContact O-N 3.13Å; T255-K306 CarbonylContact C-O 3.33Å; T255-K306 VanDerWaalsContact CA-O 3.23Å; T255-K306 WeakPolarHBondContact CA-O 3.34Å; T255-K306 HydrophobicContact CG2-CB 3.97Å; R256-K306 PolarHBondContact N-O 2.83Å; A304-K306 VanDerWaalsContact C-N 3.3Å; A304-K306 PolarHBondContact O-N 3.2Å
307	V	98.3	Very high	95.9	Very high	15 Å²	15	48.8 Å²	48.8	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.7	-173.7	-173.9	0	0	0	0	110.4	Q226 K227 V228 R256 E258	Q226-V307 PolarHBondContact O-N 2.84Å; K227-V307 CarbonylContact C-O 3.48Å; K227-V307 VanDerWaalsContact CA-O 3.31Å; K227-V307 WeakPolarHBondContact CA-O 3.22Å; K227-V307 HydrophobicContact CG-CB 4.42Å; V228-V307 PolarHBondContact N-O 3.26Å; R256-V307 HydrophobicContact CG-CG2 4.09Å; R256-V307 VanDerWaalsContact CZ-CG2 3.49Å; R256-V307 WeakPolarHBondContact O-CA 3.16Å; E258-V307 HydrophobicContact CB-CG1 3.52Å; E258-V307 HydrophobicContact CG-CG1 4.38Å
308	W	98.6	Very high	96.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.2	168.2	69.9	-86.6	0	0	0	110.9	L201 V228 I230 L246 M249 V250 R256 P257 E258 M259 F310	L201-W308 HydrophobicContact CD1-CB 3.73Å; V228-W308 CarbonylContact O-C 3.57Å; V228-W308 VanDerWaalsContact O-CA 3.26Å; V228-W308 WeakPolarHBondContact O-CA 3.41Å; I230-W308 HydrophobicContact CD1-CE3 4.38Å; L246-W308 HydrophobicContact CD1-CH2 3.9Å; L246-W308 HydrophobicContact CD1-CZ3 4.46Å; M249-W308 HydrophobicContact CB-CH2 4.24Å; M249-W308 HydrophobicContact CB-CZ2 4.08Å; M249-W308 HydrophobicContact CE-CB 3.63Å; M249-W308 HydrophobicContact CE-CD2 3.87Å; M249-W308 HydrophobicContact CE-CE3 4.46Å; M249-W308 HydrophobicContact CE-CG 3.45Å; M249-W308 VanDerWaalsContact CE-CG 3.45Å; M249-W308 HydrophobicContact CG-CD2 3.63Å; M249-W308 HydrophobicContact CG-CE3 3.84Å; M249-W308 HydrophobicContact CG-CG 4.2Å; M249-W308 HydrophobicContact CG-CH2 3.93Å; M249-W308 HydrophobicContact CG-CZ2 3.71Å; M249-W308 HydrophobicContact CG-CZ3 3.98Å; M249-W308 PolarHBondContact O-NE1 3.04Å; M249-W308 VanDerWaalsContact O-NE1 3.14Å; V250-W308 HydrophobicContact CB-CZ2 4.48Å; V250-W308 HydrophobicContact CG2-CH2 4.09Å; V250-W308 HydrophobicContact CG2-CZ2 3.82Å; R256-W308 PolarHBondContact O-N 2.84Å; P257-W308 CarbonylContact C-O 3.39Å; P257-W308 VanDerWaalsContact CA-O 3.25Å; P257-W308 WeakPolarHBondContact CA-O 3.41Å; P257-W308 HydrophobicContact CB-CZ2 3.95Å; E258-W308 PolarHBondContact N-O 2.85Å; M259-W308 HydrophobicContact CE-CE3 4.01Å; M259-W308 HydrophobicContact CE-CH2 3.66Å; M259-W308 HydrophobicContact CE-CZ2 4.42Å; M259-W308 HydrophobicContact CE-CZ3 3.43Å; M259-W308 VanDerWaalsContact CE-CZ3 3.43Å; W308-F310 HydrophobicContact CH2-CE2 4.41Å; W308-F310 HydrophobicContact CZ3-CD2 4.1Å; W308-F310 AromaticContact CZ3-CE2 3.8Å; W308-F310 HydrophobicContact CZ3-CE2 3.8Å; W308-F310 HydrophobicContact CZ3-CZ 4.38Å
309	G	97.9	Very high	96.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	147.2	178.9	0	0	0	0	0	112.5	V228 I230 E258	V228-G309 PolarHBondContact O-N 2.88Å; I230-G309 PolarHBondContact N-O 3.18Å; E258-G309 VanDerWaalsContact O-CA 3.29Å; E258-G309 WeakPolarHBondContact O-CA 3.42Å
310	F	98.2	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	149.4	162	-68.6	-68.1	0	0	0	110	Q189 L194 I230 L246 M259 L285 W308 F312	Q189-F310 HydrophobicContact CB-CD1 4.45Å; Q189-F310 HydrophobicContact CB-CE1 4.1Å; Q189-F310 HydrophobicContact CG-CD1 3.82Å; Q189-F310 HydrophobicContact CG-CE1 3.95Å; L194-F310 HydrophobicContact CD2-CZ 4.06Å; I230-F310 HydrophobicContact CB-CD1 3.74Å; I230-F310 HydrophobicContact CB-CE1 3.98Å; I230-F310 HydrophobicContact CD1-CE1 4.32Å; I230-F310 HydrophobicContact CG2-CD1 3.92Å; I230-F310 HydrophobicContact CG2-CE1 3.79Å; I230-F310 WeakPolarHBondContact O-CA 3.49Å; L246-F310 HydrophobicContact CD1-CE2 3.84Å; L246-F310 HydrophobicContact CD1-CZ 4.29Å; M259-F310 HydrophobicContact CE-CD2 3.65Å; M259-F310 HydrophobicContact CE-CE2 4.35Å; M259-F310 HydrophobicContact CE-CG 4.44Å; M259-F310 HydrophobicContact SD-CB 3.84Å; M259-F310 HydrophobicContact SD-CD2 3.97Å; M259-F310 HydrophobicContact SD-CG 4.36Å; M259-F310 PolarHBondContact SD-N 2.95Å; L285-F310 HydrophobicContact CD2-CD2 3.87Å; L285-F310 HydrophobicContact CD2-CE2 3.53Å; W308-F310 HydrophobicContact CH2-CE2 4.41Å; W308-F310 HydrophobicContact CZ3-CD2 4.1Å; W308-F310 AromaticContact CZ3-CE2 3.8Å; W308-F310 HydrophobicContact CZ3-CE2 3.8Å; W308-F310 HydrophobicContact CZ3-CZ 4.38Å; F310-F312 HydrophobicContact CB-CD2 4.11Å; F310-F312 HydrophobicContact CB-CE1 4.17Å; F310-F312 HydrophobicContact CB-CE2 3.39Å; F310-F312 HydrophobicContact CB-CZ 3.43Å; F310-F312 VanDerWaalsContact CB-CZ 3.43Å; F310-F312 HydrophobicContact CD1-CZ 4.35Å; F310-F312 HydrophobicContact CD2-CE2 4.47Å; F310-F312 AromaticContact CD2-CZ 3.99Å; F310-F312 HydrophobicContact CD2-CZ 3.99Å; F310-F312 HydrophobicContact CG-CE1 4.36Å; F310-F312 HydrophobicContact CG-CE2 4.13Å; F310-F312 AromaticContact CG-CZ 3.68Å; F310-F312 HydrophobicContact CG-CZ 3.68Å
311	R	97.4	Very high	96.8	Very high	37 Å²	37	43 Å²	43	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.3	162.9	-72.3	-67.9	-177.1	-91.7	7.6	107	Q189 L229 I230 V231 G232 E258	Q189-R311 PolarHBondContact NE2-O 3.07Å; L229-R311 HydrophobicContact CD2-CG 4.2Å; I230-R311 PolarHBondContact O-N 3.08Å; V231-R311 CarbonylContact C-O 3.53Å; V231-R311 WeakPolarHBondContact CA-O 3.4Å; V231-R311 HydrophobicContact CG2-CB 4.28Å; G232-R311 PolarHBondContact N-O 3.24Å; E258-R311 PolarHBondContact O-NH1 2.8Å
312	F	97.6	Very high	96.7	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	23%	0.226	C	C	.	.			trans	-92.7	168	-178.3	-63.1	-76.4	0	0	0	111.1	Q189 G232 R234 G235 P236 V239 D263 F264 F310 R314	Q189-F312 VanDerWaalsContact NE2-CD1 3.32Å; Q189-F312 VanDerWaalsContact NE2-CE1 3.26Å; Q189-F312 VanDerWaalsContact OE1-CE1 3.29Å; G232-F312 CarbonylContact O-C 3.57Å; R234-F312 WeakPolarHBondContact O-CD1 3.47Å; G235-F312 VanDerWaalsContact C-CD1 3.41Å; P236-F312 HydrophobicContact CB-CE1 4.25Å; P236-F312 HydrophobicContact CB-CE2 4.3Å; P236-F312 HydrophobicContact CB-CZ 4.04Å; P236-F312 HydrophobicContact CG-CD1 4.25Å; P236-F312 HydrophobicContact CG-CD2 3.82Å; P236-F312 HydrophobicContact CG-CE1 4.21Å; P236-F312 HydrophobicContact CG-CE2 3.78Å; P236-F312 HydrophobicContact CG-CG 4.05Å; P236-F312 HydrophobicContact CG-CZ 3.98Å; V239-F312 HydrophobicContact CG1-CE1 3.66Å; V239-F312 HydrophobicContact CG1-CZ 4.17Å; D263-F312 HydrophobicContact CB-CB 4.16Å; D263-F312 HydrophobicContact CB-CD2 3.7Å; D263-F312 HydrophobicContact CB-CG 4.35Å; D263-F312 WeakPolarHBondContact OD2-CD2 3.33Å; D263-F312 PolarHBondContact OD2-N 3.14Å; F264-F312 HydrophobicContact CE1-CE2 4.37Å; F264-F312 HydrophobicContact CE2-CE2 4.2Å; F264-F312 HydrophobicContact CZ-CD2 4.46Å; F264-F312 AromaticContact CZ-CE2 3.69Å; F264-F312 HydrophobicContact CZ-CE2 3.69Å; F264-F312 HydrophobicContact CZ-CZ 4.46Å; F310-F312 HydrophobicContact CB-CD2 4.11Å; F310-F312 HydrophobicContact CB-CE1 4.17Å; F310-F312 HydrophobicContact CB-CE2 3.39Å; F310-F312 HydrophobicContact CB-CZ 3.43Å; F310-F312 VanDerWaalsContact CB-CZ 3.43Å; F310-F312 HydrophobicContact CD1-CZ 4.35Å; F310-F312 HydrophobicContact CD2-CE2 4.47Å; F310-F312 AromaticContact CD2-CZ 3.99Å; F310-F312 HydrophobicContact CD2-CZ 3.99Å; F310-F312 HydrophobicContact CG-CE1 4.36Å; F310-F312 HydrophobicContact CG-CE2 4.13Å; F310-F312 AromaticContact CG-CZ 3.68Å; F310-F312 HydrophobicContact CG-CZ 3.68Å; F312-R314 VanDerWaalsContact C-N 3.29Å; F312-R314 PolarHBondContact O-N 3.1Å; F312-R314 PolarHBondContact O-NH1 2.85Å
313	Y	97.4	Very high	96	Very high	48 Å²	48	39.3 Å²	39.3	19%	0.188	23%	0.23	C	C	.	.	S	Bend	trans	53.4	42.6	175.2	-42.6	-72.7	0	0	0	113.9	G232 R234 G235 P236 D263 N336 L338	G232-Y313 PolarHBondContact O-N 2.93Å; R234-Y313 PolarHBondContact O-N 3.1Å; G235-Y313 WeakPolarHBondContact CA-OH 3.38Å; P236-Y313 WeakPolarHBondContact CD-OH 3.5Å; D263-Y313 HydrophobicContact CB-CE2 4.21Å; Y313-N336 WeakPolarHBondContact CB-O 3.32Å; Y313-N336 PolarHBondContact O-N 3.47Å; Y313-L338 HydrophobicContact CD1-CG 4.23Å; Y313-L338 HydrophobicContact CE1-CD1 3.85Å; Y313-L338 HydrophobicContact CE1-CG 3.87Å
314	R	98.3	Very high	95	Very high	43 Å²	43	38 Å²	38	16%	0.162	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.3	177.8	-70.5	-56.6	178.5	-81.1	-3.1	112.8	V231 G232 R233 F312 L333 A334 N336 E354	V231-R314 HydrophobicContact CG1-CB 3.5Å; V231-R314 HydrophobicContact CG1-CG 4.46Å; G232-R314 CarbonylContact C-O 3.58Å; G232-R314 VanDerWaalsContact C-O 3.31Å; G232-R314 PolarHBondContact O-N 3.31Å; R233-R314 WeakPolarHBondContact CA-O 2.98Å; R233-R314 PolarHBondContact N-O 2.88Å; F312-R314 VanDerWaalsContact C-N 3.29Å; F312-R314 PolarHBondContact O-N 3.1Å; F312-R314 PolarHBondContact O-NH1 2.85Å; R314-L333 HydrophobicContact CB-CB 4.14Å; R314-L333 HydrophobicContact CB-CD1 4.13Å; R314-L333 HydrophobicContact CG-CB 4.26Å; R314-L333 HydrophobicContact CG-CD1 4.16Å; R314-A334 WeakPolarHBondContact CA-O 3.42Å; R314-N336 VanDerWaalsContact C-ND2 3.33Å; R314-N336 PolarHBondContact N-ND2 3.09Å; R314-E354 IonicContact CZ-OE2 3.48Å; R314-E354 IonicContact NE-OE2 3.37Å; R314-E354 PolarHBondContact NE-OE2 3.12Å; R314-E354 IonicContact NH2-OE2 3.67Å; R314-E354 PolarHBondContact NH2-OE2 2.85Å
315	S	98	Very high	93.6	Very high	22 Å²	22	45.6 Å²	45.6	15%	0.154	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133	173.6	-63.8	0	0	0	0	109.8	L333 A334 N336	S315-L333 CarbonylContact O-C 3.47Å; S315-L333 VanDerWaalsContact O-CA 3.31Å; S315-L333 WeakPolarHBondContact O-CA 3.35Å; S315-A334 PolarHBondContact N-O 2.97Å; S315-A334 PolarHBondContact O-N 2.64Å; S315-N336 PolarHBondContact N-ND2 2.8Å; S315-N336 VanDerWaalsContact OG-CG 3.32Å; S315-N336 PolarHBondContact OG-ND2 2.92Å; S315-N336 PolarHBondContact OG-OD1 3.41Å
316	P	97.8	Very high	93	Very high	37 Å²	37	46.1 Å²	46.1	24%	0.24	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.7	171.9	31	-36.3	0	0	0	110	L187 I331 L333	L187-P316 HydrophobicContact CD1-CB 4.06Å; L187-P316 HydrophobicContact CD1-CG 4.18Å; L187-P316 HydrophobicContact CD2-CB 4.26Å; L187-P316 HydrophobicContact CD2-CG 4.44Å; P316-I331 HydrophobicContact CB-CD1 4.07Å; P316-L333 HydrophobicContact CB-CD2 4.43Å
317	T	97.9	Very high	92.7	Very high	49 Å²	49	47.2 Å²	47.2	30%	0.301	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	-25.5	176.1	51.2	0	0	0	0	113.9	V148 P149 R332 A334	V148-T317 WeakPolarHBondContact CB-O 3.48Å; P149-T317 WeakPolarHBondContact CD-O 3.29Å; T317-R332 PolarHBondContact N-O 2.91Å; T317-R332 WeakPolarHBondContact OG1-CG 3.33Å; T317-R332 PolarHBondContact OG1-O 2.87Å; T317-A334 HydrophobicContact CG2-CB 3.6Å
318	E	98.1	Very high	92.5	Very high	66 Å²	66	46.7 Å²	46.7	31%	0.308	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	141.7	179	175.7	176.9	-153.5	0	0	110.1	P149 L320 R332	P149-E318 HydrophobicContact CB-CG 4.37Å; E318-L320 HydrophobicContact CG-CD2 4.04Å; E318-R332 HydrophobicContact CB-CB 4.06Å; E318-R332 PolarHBondContact O-N 2.95Å; E318-R332 IonicContact OE2-CZ 3.37Å; E318-R332 IonicContact OE2-NH1 3.23Å; E318-R332 PolarHBondContact OE2-NH1 3.31Å
319	I	98.1	Very high	92.4	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.2	166.8	-49.5	-56.5	0	0	0	108.3	M146 V148 P149 G150 L153 V156 T328 I331 V361	M146-I319 HydrophobicContact CE-CD1 4.03Å; M146-I319 HydrophobicContact CE-CG1 4.21Å; V148-I319 HydrophobicContact CG2-CD1 4.48Å; V148-I319 HydrophobicContact CG2-CG1 4.31Å; P149-I319 PolarHBondContact O-N 2.75Å; G150-I319 WeakPolarHBondContact O-CB 3.34Å; L153-I319 HydrophobicContact CD1-CB 4.24Å; L153-I319 HydrophobicContact CD1-CG2 3.91Å; V156-I319 HydrophobicContact CG2-CB 4.44Å; V156-I319 HydrophobicContact CG2-CG1 4.09Å; V156-I319 HydrophobicContact CG2-CG2 3.76Å; I319-T328 HydrophobicContact CG2-CG2 3.69Å; I319-I331 HydrophobicContact CD1-CB 4.41Å; I319-I331 HydrophobicContact CD1-CD1 3.68Å; I319-I331 HydrophobicContact CD1-CG1 3.89Å; I319-V361 HydrophobicContact CD1-CG1 4.12Å; I319-V361 HydrophobicContact CD1-CG2 4.43Å
320	L	97.2	Very high	92.4	Very high	37 Å²	37	48.5 Å²	48.5	19%	0.194	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.9	-174.7	-55.2	173.6	0	0	0	109.9	E318 A329 G330 R332 D355	E318-L320 HydrophobicContact CG-CD2 4.04Å; L320-A329 PolarHBondContact O-N 2.98Å; L320-G330 PolarHBondContact N-O 3.47Å; L320-G330 PolarHBondContact O-N 3.5Å; L320-R332 HydrophobicContact CD2-CB 4.37Å; L320-D355 HydrophobicContact CD1-CB 4.06Å
321	A	94.4	Very high	92.4	Very high	56 Å²	56	48.5 Å²	48.5	46%	0.463	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	145	-178.7	0	0	0	0	0	113.1	L153 P323 R327	L153-A321 HydrophobicContact CD1-CB 3.99Å; L153-A321 HydrophobicContact CD2-CB 4.49Å; A321-P323 WeakPolarHBondContact O-CD 3.21Å; A321-R327 CarbonylContact C-O 3.34Å; A321-R327 WeakPolarHBondContact CA-O 3.28Å
322	D	88.9	Confident	92.5	Very high	35 Å²	35	50.3 Å²	50.3	19%	0.187	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.4	117.3	171.9	-165.3	-12.3	0	0	0	110.2	G324 R325 S326 R327 A329	D322-G324 PolarHBondContact O-N 2.85Å; D322-R325 HydrophobicContact CB-CB 4.01Å; D322-R325 PolarHBondContact O-N 2.79Å; D322-R325 VanDerWaalsContact O-N 3.07Å; D322-R325 WeakPolarHBondContact OD2-CD 3.15Å; D322-S326 PolarHBondContact O-N 2.75Å; D322-R327 HydrophobicContact CB-CG 3.77Å; D322-R327 WeakPolarHBondContact CB-O 3.43Å; D322-R327 PolarHBondContact N-O 3.24Å; D322-R327 IonicContact OD2-CZ 3.66Å; D322-R327 IonicContact OD2-NE 3.59Å; D322-R327 PolarHBondContact OD2-NE 3.37Å; D322-R327 IonicContact OD2-NH2 3.54Å; D322-R327 PolarHBondContact OD2-NH2 3.13Å; D322-A329 HydrophobicContact CB-CB 3.84Å
323	P	77.6	Confident	92.5	Very high	124 Å²	124	50.3 Å²	50.3	81%	0.805	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	105.4	179.8	-26.3	36	0	0	0	112.3	A321	A321-P323 WeakPolarHBondContact O-CD 3.21Å
324	G	72.9	Confident	92.6	Very high	82 Å²	82	48.4 Å²	48.4	85%	0.845	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	1.6	178.3	0	0	0	0	0	116.3	D322	D322-G324 PolarHBondContact O-N 2.85Å
325	R	66.2	Low	92.6	Very high	172 Å²	172	47.3 Å²	47.3	65%	0.649	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-2	173.8	-61.3	-170.4	179	-177.8	0.6	115.1	D322 R327	D322-R325 HydrophobicContact CB-CB 4.01Å; D322-R325 PolarHBondContact O-N 2.79Å; D322-R325 VanDerWaalsContact O-N 3.07Å; D322-R325 WeakPolarHBondContact OD2-CD 3.15Å; R325-R327 HydrophobicContact CB-CG 4.05Å; R325-R327 PolarHBondContact O-N 3.42Å; R325-R327 VanDerWaalsContact O-N 3.07Å
326	S	84.1	Confident	92.5	Very high	92 Å²	92	46.6 Å²	46.6	64%	0.643	28%	0.275	S	S	*	.			trans	48.5	38.1	175.1	-59.5	0	0	0	0	114.4	P154 D322	P154-S326 VanDerWaalsContact CD-O 3.32Å; P154-S326 WeakPolarHBondContact CD-O 3.3Å; D322-S326 PolarHBondContact O-N 2.75Å
327	R	91.1	Very high	92.4	Very high	71 Å²	71	51.4 Å²	51.4	27%	0.268	29%	0.289	S	S	.	.	S	Bend	trans	-133.3	169.8	179.3	68.1	177.2	-174.3	151.8	7.2	110.2	P154 D178 A321 D322 R325 A329	P154-R327 HydrophobicContact CB-CB 4.1Å; D178-R327 IonicContact OD2-NH1 2.66Å; D178-R327 PolarHBondContact OD2-NH1 2.89Å; D178-R327 VanDerWaalsContact OD2-NH1 3.13Å; A321-R327 CarbonylContact C-O 3.34Å; A321-R327 WeakPolarHBondContact CA-O 3.28Å; D322-R327 HydrophobicContact CB-CG 3.77Å; D322-R327 WeakPolarHBondContact CB-O 3.43Å; D322-R327 PolarHBondContact N-O 3.24Å; D322-R327 IonicContact OD2-CZ 3.66Å; D322-R327 IonicContact OD2-NE 3.59Å; D322-R327 PolarHBondContact OD2-NE 3.37Å; D322-R327 IonicContact OD2-NH2 3.54Å; D322-R327 PolarHBondContact OD2-NH2 3.13Å; R325-R327 HydrophobicContact CB-CG 4.05Å; R325-R327 PolarHBondContact O-N 3.42Å; R325-R327 VanDerWaalsContact O-N 3.07Å; R327-A329 PolarHBondContact O-N 3.04Å
328	T	95.6	Very high	92.2	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	127.6	176.6	-54	0	0	0	0	111.4	P154 V156 I319 V361	P154-T328 WeakPolarHBondContact O-CB 3.1Å; P154-T328 PolarHBondContact O-N 3.04Å; P154-T328 PolarHBondContact O-OG1 2.93Å; V156-T328 WeakPolarHBondContact CG2-OG1 3.45Å; I319-T328 HydrophobicContact CG2-CG2 3.69Å; T328-V361 HydrophobicContact CG2-CG2 3.93Å
329	A	96.6	Very high	91.9	Very high	36 Å²	36	52.5 Å²	52.5	30%	0.298	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-14.8	170	0	0	0	0	0	113	L320 D322 R327 C358	L320-A329 PolarHBondContact O-N 2.98Å; D322-A329 HydrophobicContact CB-CB 3.84Å; R327-A329 PolarHBondContact O-N 3.04Å; A329-C358 CarbonylContact C-O 3.53Å; A329-C358 WeakPolarHBondContact CA-O 3.37Å; A329-C358 PolarHBondContact O-N 2.85Å; A329-C358 VanDerWaalsContact O-O 3.11Å
330	G	97.6	Very high	91.3	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-172.6	173.9	0	0	0	0	0	113.3	L320 V356 C358	L320-G330 PolarHBondContact N-O 3.47Å; L320-G330 PolarHBondContact O-N 3.5Å; G330-V356 CarbonylContact C-O 3.31Å; G330-V356 WeakPolarHBondContact CA-O 3.04Å; G330-C358 PolarHBondContact N-O 3.03Å
331	I	98.5	Very high	90.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	132	176.6	-177.2	166.3	0	0	0	110	V185 L187 P316 I319 L333 V356 V361	V185-I331 HydrophobicContact CB-CG2 4.35Å; V185-I331 HydrophobicContact CG1-CG2 4.18Å; V185-I331 HydrophobicContact CG2-CG2 4Å; L187-I331 HydrophobicContact CD1-CD1 3.96Å; L187-I331 HydrophobicContact CD2-CD1 3.92Å; L187-I331 HydrophobicContact CG-CD1 4.39Å; P316-I331 HydrophobicContact CB-CD1 4.07Å; I319-I331 HydrophobicContact CD1-CB 4.41Å; I319-I331 HydrophobicContact CD1-CD1 3.68Å; I319-I331 HydrophobicContact CD1-CG1 3.89Å; I331-L333 HydrophobicContact CD1-CD2 3.96Å; I331-L333 HydrophobicContact CG1-CD2 3.89Å; I331-L333 HydrophobicContact CG2-CD2 4.42Å; I331-L333 HydrophobicContact CG2-CG 4.47Å; I331-V356 HydrophobicContact CG2-CB 3.97Å; I331-V356 PolarHBondContact N-O 3.17Å; I331-V356 PolarHBondContact O-N 2.93Å; I331-V361 HydrophobicContact CB-CG2 4.35Å; I331-V361 HydrophobicContact CD1-CG1 4.09Å; I331-V361 HydrophobicContact CD1-CG2 4.4Å
332	R	98.5	Very high	89.5	Confident	76 Å²	76	58.6 Å²	58.6	29%	0.287	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.2	171.5	-174	162.5	-73.6	151.8	-4.6	109.3	T317 E318 L320 V353 D355	T317-R332 PolarHBondContact N-O 2.91Å; T317-R332 WeakPolarHBondContact OG1-CG 3.33Å; T317-R332 PolarHBondContact OG1-O 2.87Å; E318-R332 HydrophobicContact CB-CB 4.06Å; E318-R332 PolarHBondContact O-N 2.95Å; E318-R332 IonicContact OE2-CZ 3.37Å; E318-R332 IonicContact OE2-NH1 3.23Å; E318-R332 PolarHBondContact OE2-NH1 3.31Å; L320-R332 HydrophobicContact CD2-CB 4.37Å; R332-V353 HydrophobicContact CG-CB 4.3Å; R332-D355 WeakPolarHBondContact CB-OD1 3.18Å; R332-D355 WeakPolarHBondContact CG-OD1 3.41Å; R332-D355 IonicContact CZ-OD1 2.72Å; R332-D355 IonicContact CZ-OD2 3.67Å; R332-D355 IonicContact NE-OD1 3.53Å; R332-D355 PolarHBondContact NE-OD1 3.26Å; R332-D355 IonicContact NE-OD2 2.7Å; R332-D355 PolarHBondContact NE-OD2 2.65Å; R332-D355 IonicContact NH2-OD1 2.76Å; R332-D355 IonicContact NH2-OD2 3.61Å; R332-D355 PolarHBondContact NH2-OD2 3Å
333	L	98.6	Very high	88.7	Confident	1 Å²	1	64 Å²	64	1%	0.005	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.9	-179.5	-58.4	178.3	0	0	0	109.1	L187 V231 R314 S315 P316 I331 V353 E354 V356	L187-L333 HydrophobicContact CD2-CD2 4.46Å; V231-L333 HydrophobicContact CG1-CD1 3.95Å; V231-L333 HydrophobicContact CG1-CD2 4.1Å; V231-L333 HydrophobicContact CG2-CD1 4.19Å; R314-L333 HydrophobicContact CB-CB 4.14Å; R314-L333 HydrophobicContact CB-CD1 4.13Å; R314-L333 HydrophobicContact CG-CB 4.26Å; R314-L333 HydrophobicContact CG-CD1 4.16Å; S315-L333 CarbonylContact O-C 3.47Å; S315-L333 VanDerWaalsContact O-CA 3.31Å; S315-L333 WeakPolarHBondContact O-CA 3.35Å; P316-L333 HydrophobicContact CB-CD2 4.43Å; I331-L333 HydrophobicContact CD1-CD2 3.96Å; I331-L333 HydrophobicContact CG1-CD2 3.89Å; I331-L333 HydrophobicContact CG2-CD2 4.42Å; I331-L333 HydrophobicContact CG2-CG 4.47Å; L333-V353 CarbonylContact O-C 3.35Å; L333-V353 WeakPolarHBondContact O-CA 3.25Å; L333-E354 PolarHBondContact N-O 3.32Å; L333-E354 PolarHBondContact O-N 3.01Å; L333-V356 HydrophobicContact CD1-CG2 3.75Å; L333-V356 HydrophobicContact CG-CG2 4.45Å
334	A	98.2	Very high	88.9	Confident	8 Å²	8	61.8 Å²	61.8	7%	0.066	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.1	168	0	0	0	0	0	110.8	R314 S315 T317 L349 E352 V353	R314-A334 WeakPolarHBondContact CA-O 3.42Å; S315-A334 PolarHBondContact N-O 2.97Å; S315-A334 PolarHBondContact O-N 2.64Å; T317-A334 HydrophobicContact CG2-CB 3.6Å; A334-L349 HydrophobicContact CB-CD2 3.64Å; A334-E352 WeakPolarHBondContact CA-O 3.39Å; A334-V353 HydrophobicContact CB-CG1 4.47Å
335	V	98	Very high	89.5	Confident	19 Å²	19	58.1 Å²	58.1	12%	0.115	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.5	173.9	-179.4	0	0	0	0	109.1	T350 E352	V335-T350 WeakPolarHBondContact CB-OG1 3.45Å; V335-T350 HydrophobicContact CG1-CG2 4.06Å; V335-T350 PolarHBondContact O-N 3.24Å; V335-T350 PolarHBondContact O-OG1 3.21Å; V335-E352 HydrophobicContact CB-CB 3.91Å; V335-E352 HydrophobicContact CG2-CB 3.71Å; V335-E352 PolarHBondContact N-O 3.22Å
336	N	97.5	Very high	90.8	Very high	8 Å²	8	59 Å²	59	4%	0.043	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	158.8	175.3	-55	-51.5	0	0	0	111	R233 Y313 R314 S315 A347 V348	R233-N336 WeakPolarHBondContact CA-ND2 3.23Å; R233-N336 PolarHBondContact O-ND2 3.11Å; Y313-N336 WeakPolarHBondContact CB-O 3.32Å; Y313-N336 PolarHBondContact O-N 3.47Å; R314-N336 VanDerWaalsContact C-ND2 3.33Å; R314-N336 PolarHBondContact N-ND2 3.09Å; S315-N336 PolarHBondContact N-ND2 2.8Å; S315-N336 VanDerWaalsContact OG-CG 3.32Å; S315-N336 PolarHBondContact OG-ND2 2.92Å; S315-N336 PolarHBondContact OG-OD1 3.41Å; N336-A347 HydrophobicContact CB-CB 4.09Å; N336-V348 CarbonylContact C-O 3.53Å; N336-V348 WeakPolarHBondContact CA-O 3.16Å
337	R	94.5	Very high	91.3	Very high	137 Å²	137	56.1 Å²	56.1	52%	0.517	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	166.8	152.4	64.8	-179.7	-176.3	-134.3	0.2	109.8	E339 A347 V348 T350	R337-E339 IonicContact CZ-OE1 2.81Å; R337-E339 IonicContact NE-OE1 3.69Å; R337-E339 PolarHBondContact NE-OE1 3.25Å; R337-E339 IonicContact NH2-OE1 2.73Å; R337-E339 PolarHBondContact NH2-OE1 3.45Å; R337-A347 WeakPolarHBondContact O-CA 3.04Å; R337-V348 HydrophobicContact CG-CB 4.48Å; R337-V348 PolarHBondContact N-O 3.21Å; R337-V348 PolarHBondContact O-N 3.01Å; R337-T350 HydrophobicContact CB-CG2 4.22Å; R337-T350 HydrophobicContact CG-CG2 4.42Å
338	L	93.6	Very high	91.5	Very high	54 Å²	54	55 Å²	55	28%	0.283	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.1	169.1	-71	179	0	0	0	110.9	R234 Y313 R346	R234-L338 HydrophobicContact CB-CD2 3.94Å; R234-L338 HydrophobicContact CG-CD2 3.81Å; Y313-L338 HydrophobicContact CD1-CG 4.23Å; Y313-L338 HydrophobicContact CE1-CD1 3.85Å; Y313-L338 HydrophobicContact CE1-CG 3.87Å; L338-R346 WeakPolarHBondContact CA-O 3.17Å
339	E	91.9	Very high	91.6	Very high	84 Å²	84	59.9 Å²	59.9	39%	0.393	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139	169.3	-66.8	-176.6	-174	0	0	110	R337 A345 R346 V348	R337-E339 IonicContact CZ-OE1 2.81Å; R337-E339 IonicContact NE-OE1 3.69Å; R337-E339 PolarHBondContact NE-OE1 3.25Å; R337-E339 IonicContact NH2-OE1 2.73Å; R337-E339 PolarHBondContact NH2-OE1 3.45Å; E339-A345 WeakPolarHBondContact O-CA 3.47Å; E339-R346 PolarHBondContact N-O 2.83Å; E339-R346 PolarHBondContact O-N 2.76Å; E339-V348 HydrophobicContact CB-CG2 4.08Å; E339-V348 HydrophobicContact CG-CB 4.29Å; E339-V348 HydrophobicContact CG-CG2 3.94Å
340	G	86.4	Confident	91.6	Very high	70 Å²	70	60.8 Å²	60.8	72%	0.722	35%	0.351	S	S	*	.	S	Bend	trans	81.7	-176	-169.2	0	0	0	0	0	113.6
341	S	77.8	Confident	91.5	Very high	101 Å²	101	64.1 Å²	64.1	71%	0.706	39%	0.385	S	S	*	.	S	Bend	trans	-130.5	162.5	-173.9	61.6	0	0	0	0	112.8	A344 A345	S341-A344 PolarHBondContact O-N 2.87Å; S341-A345 PolarHBondContact O-N 2.97Å
342	G	75.1	Confident	91.4	Very high	55 Å²	55	70.2 Å²	70.2	57%	0.567	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	59	-145.3	178.4	0	0	0	0	0	113.8	A344 A345	G342-A344 PolarHBondContact O-N 3.14Å; G342-A345 WeakPolarHBondContact O-CB 3.33Å; G342-A345 PolarHBondContact O-N 3.45Å
343	D	72.6	Confident	91.4	Very high	148 Å²	148	71 Å²	71	79%	0.791	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20	179.6	-69.9	-38.2	0	0	0	113.5	A345	D343-A345 VanDerWaalsContact C-N 3.28Å; D343-A345 PolarHBondContact O-N 3.45Å
344	A	80.9	Confident	91.3	Very high	78 Å²	78	73.6 Å²	73.6	65%	0.645	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-76.8	-11.8	176.4	0	0	0	0	0	113.4	S341 G342 R346	S341-A344 PolarHBondContact O-N 2.87Å; G342-A344 PolarHBondContact O-N 3.14Å; A344-R346 WeakPolarHBondContact O-CG 3.39Å; A344-R346 PolarHBondContact O-N 3.33Å
345	A	87.3	Confident	91.3	Very high	5 Å²	5	77.2 Å²	77.2	4%	0.041	46%	0.457	C	S	.	.			trans	-58.3	128.3	-178.1	0	0	0	0	0	112.5	R234 E339 S341 G342 D343	R234-A345 WeakPolarHBondContact CD-O 3.37Å; E339-A345 WeakPolarHBondContact O-CA 3.47Å; S341-A345 PolarHBondContact O-N 2.97Å; G342-A345 WeakPolarHBondContact O-CB 3.33Å; G342-A345 PolarHBondContact O-N 3.45Å; D343-A345 VanDerWaalsContact C-N 3.28Å; D343-A345 PolarHBondContact O-N 3.45Å
346	R	92.8	Very high	91.3	Very high	191 Å²	191	77.1 Å²	77.1	72%	0.721	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.1	-176.5	-61.3	-175.9	-179	170.1	-0.4	110.5	L338 E339 A344	L338-R346 WeakPolarHBondContact CA-O 3.17Å; E339-R346 PolarHBondContact N-O 2.83Å; E339-R346 PolarHBondContact O-N 2.76Å; A344-R346 WeakPolarHBondContact O-CG 3.39Å; A344-R346 PolarHBondContact O-N 3.33Å
347	A	94.9	Very high	91.3	Very high	32 Å²	32	81.4 Å²	81.4	26%	0.264	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.1	169.6	0	0	0	0	0	109	R233 R234 N336 R337	R233-A347 HydrophobicContact CB-CB 4.16Å; R233-A347 HydrophobicContact CG-CB 4.47Å; R233-A347 WeakPolarHBondContact O-CB 3.29Å; R234-A347 HydrophobicContact CG-CB 4.23Å; N336-A347 HydrophobicContact CB-CB 4.09Å; R337-A347 WeakPolarHBondContact O-CA 3.04Å
348	V	95.6	Very high	91.5	Very high	47 Å²	47	75 Å²	75	29%	0.285	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.5	178.1	-179	0	0	0	0	108.5	N336 R337 E339	N336-V348 CarbonylContact C-O 3.53Å; N336-V348 WeakPolarHBondContact CA-O 3.16Å; R337-V348 HydrophobicContact CG-CB 4.48Å; R337-V348 PolarHBondContact N-O 3.21Å; R337-V348 PolarHBondContact O-N 3.01Å; E339-V348 HydrophobicContact CB-CG2 4.08Å; E339-V348 HydrophobicContact CG-CB 4.29Å; E339-V348 HydrophobicContact CG-CG2 3.94Å
349	L	96.3	Very high	91.7	Very high	105 Å²	105	73.3 Å²	73.3	55%	0.55	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	138.1	-176.1	-55.6	171.9	0	0	0	110.8	A334	A334-L349 HydrophobicContact CB-CD2 3.64Å
350	T	96.6	Very high	92	Very high	56 Å²	56	69.3 Å²	69.3	34%	0.344	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-21.4	173.7	64.5	0	0	0	0	113	V335 R337 E352	V335-T350 WeakPolarHBondContact CB-OG1 3.45Å; V335-T350 HydrophobicContact CG1-CG2 4.06Å; V335-T350 PolarHBondContact O-N 3.24Å; V335-T350 PolarHBondContact O-OG1 3.21Å; R337-T350 HydrophobicContact CB-CG2 4.22Å; R337-T350 HydrophobicContact CG-CG2 4.42Å; T350-E352 PolarHBondContact OG1-N 2.84Å
351	G	95.1	Very high	92.5	Very high	72 Å²	72	66 Å²	66	74%	0.742	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	100.5	-14.3	-170.7	0	0	0	0	0	113.6
352	E	97.5	Very high	93.5	Very high	127 Å²	127	61.1 Å²	61.1	59%	0.593	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	153.4	174.4	-62.2	167.1	178.7	0	0	111.6	A334 V335 T350	A334-E352 WeakPolarHBondContact CA-O 3.39Å; V335-E352 HydrophobicContact CB-CB 3.91Å; V335-E352 HydrophobicContact CG2-CB 3.71Å; V335-E352 PolarHBondContact N-O 3.22Å; T350-E352 PolarHBondContact OG1-N 2.84Å
353	V	97.8	Very high	94.6	Very high	92 Å²	92	59.2 Å²	59.2	56%	0.558	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.3	179	-63.5	0	0	0	0	111.8	R332 L333 A334	R332-V353 HydrophobicContact CG-CB 4.3Å; L333-V353 CarbonylContact O-C 3.35Å; L333-V353 WeakPolarHBondContact O-CA 3.25Å; A334-V353 HydrophobicContact CB-CG1 4.47Å
354	E	97.2	Very high	95.8	Very high	57 Å²	57	53 Å²	53	27%	0.266	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120.8	177.3	179.5	-176.7	156.1	0	0	108.7	R314 L333 V356	R314-E354 IonicContact CZ-OE2 3.48Å; R314-E354 IonicContact NE-OE2 3.37Å; R314-E354 PolarHBondContact NE-OE2 3.12Å; R314-E354 IonicContact NH2-OE2 3.67Å; R314-E354 PolarHBondContact NH2-OE2 2.85Å; L333-E354 PolarHBondContact N-O 3.32Å; L333-E354 PolarHBondContact O-N 3.01Å; E354-V356 HydrophobicContact CG-CG2 4.23Å
355	D	98.1	Very high	96.4	Very high	83 Å²	83	52.8 Å²	52.8	44%	0.444	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.8	174.2	-73.8	-7.4	0	0	0	109.8	L320 R332	L320-D355 HydrophobicContact CD1-CB 4.06Å; R332-D355 WeakPolarHBondContact CB-OD1 3.18Å; R332-D355 WeakPolarHBondContact CG-OD1 3.41Å; R332-D355 IonicContact CZ-OD1 2.72Å; R332-D355 IonicContact CZ-OD2 3.67Å; R332-D355 IonicContact NE-OD1 3.53Å; R332-D355 PolarHBondContact NE-OD1 3.26Å; R332-D355 IonicContact NE-OD2 2.7Å; R332-D355 PolarHBondContact NE-OD2 2.65Å; R332-D355 IonicContact NH2-OD1 2.76Å; R332-D355 IonicContact NH2-OD2 3.61Å; R332-D355 PolarHBondContact NH2-OD2 3Å
356	V	97.8	Very high	96.5	Very high	17 Å²	17	54 Å²	54	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.3	179.9	178.6	0	0	0	0	109.4	V185 L229 G330 I331 L333 E354 C358	V185-V356 HydrophobicContact CG2-CG1 3.98Å; L229-V356 HydrophobicContact CD1-CG1 3.73Å; G330-V356 CarbonylContact C-O 3.31Å; G330-V356 WeakPolarHBondContact CA-O 3.04Å; I331-V356 HydrophobicContact CG2-CB 3.97Å; I331-V356 PolarHBondContact N-O 3.17Å; I331-V356 PolarHBondContact O-N 2.93Å; L333-V356 HydrophobicContact CD1-CG2 3.75Å; L333-V356 HydrophobicContact CG-CG2 4.45Å; E354-V356 HydrophobicContact CG-CG2 4.23Å; V356-C358 PolarHBondContact O-N 3.24Å
357	S	97.7	Very high	96.5	Very high	98 Å²	98	46.1 Å²	46.1	69%	0.685	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.4	173	-179.7	0	0	0	0	110.9
358	C	98	Very high	96.4	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.027	29%	0.293	C	S	.	.			trans	-162.8	144.6	179.4	62	0	0	0	0	110.9	T183 V185 A329 G330 V356	T183-C358 HydrophobicContact CG2-CB 4.07Å; T183-C358 WeakPolarHBondContact O-CA 3.48Å; T183-C358 VanDerWaalsContact O-CB 3.3Å; T183-C358 WeakPolarHBondContact O-CB 3.46Å; V185-C358 HydrophobicContact CG2-CB 3.81Å; A329-C358 CarbonylContact C-O 3.53Å; A329-C358 WeakPolarHBondContact CA-O 3.37Å; A329-C358 PolarHBondContact O-N 2.85Å; A329-C358 VanDerWaalsContact O-O 3.11Å; G330-C358 PolarHBondContact N-O 3.03Å; V356-C358 PolarHBondContact O-N 3.24Å
359	G	97.2	Very high	96.4	Very high	17 Å²	17	46.6 Å²	46.6	18%	0.175	28%	0.28	C	S	.	.	S	Bend	trans	-94.9	-10.2	174.7	0	0	0	0	0	114.2	T183	T183-G359 PolarHBondContact O-N 3.39Å
360	L	98.5	Very high	96.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.7	-173.6	-178.9	62.7	0	0	0	110	G155 Y157 L179 A184 V185 L200 I362	G155-L360 WeakPolarHBondContact O-CA 3.39Å; Y157-L360 HydrophobicContact CD2-CD1 3.46Å; Y157-L360 VanDerWaalsContact CD2-CD1 3.46Å; Y157-L360 HydrophobicContact CE2-CD1 3.51Å; L179-L360 HydrophobicContact CD2-CD2 3.68Å; A184-L360 CarbonylContact C-O 3.41Å; A184-L360 WeakPolarHBondContact CA-O 3.31Å; A184-L360 HydrophobicContact CB-CB 3.93Å; A184-L360 HydrophobicContact CB-CD2 3.81Å; A184-L360 HydrophobicContact CB-CG 4.06Å; V185-L360 PolarHBondContact N-O 2.9Å; L200-L360 HydrophobicContact CD1-CD2 4.3Å; L200-L360 HydrophobicContact CD2-CD2 4.22Å; L360-I362 HydrophobicContact CD1-CD1 4.37Å; L360-I362 HydrophobicContact CD1-CG1 4.19Å; L360-I362 HydrophobicContact CD2-CD1 4.12Å; L360-I362 HydrophobicContact CG-CD1 4.16Å; L360-I362 HydrophobicContact CG-CG1 4.13Å
361	V	98.7	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.8	175.3	176.2	0	0	0	0	109.2	G155 V156 Y157 V185 L187 I319 T328 I331	G155-V361 PolarHBondContact O-N 3.26Å; V156-V361 CarbonylContact C-O 3.58Å; V156-V361 WeakPolarHBondContact CA-O 3.34Å; V156-V361 HydrophobicContact CG1-CG1 4.47Å; V156-V361 HydrophobicContact CG2-CB 4.42Å; Y157-V361 PolarHBondContact N-O 3.41Å; V185-V361 HydrophobicContact CB-CG2 4.41Å; V185-V361 CarbonylContact O-C 3.56Å; V185-V361 WeakPolarHBondContact O-CA 3.43Å; L187-V361 HydrophobicContact CD1-CG1 3.85Å; L187-V361 HydrophobicContact CG-CG1 4.35Å; I319-V361 HydrophobicContact CD1-CG1 4.12Å; I319-V361 HydrophobicContact CD1-CG2 4.43Å; T328-V361 HydrophobicContact CG2-CG2 3.93Å; I331-V361 HydrophobicContact CB-CG2 4.35Å; I331-V361 HydrophobicContact CD1-CG1 4.09Å; I331-V361 HydrophobicContact CD1-CG2 4.4Å
362	I	98.6	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113	-178.1	-57	177.7	0	0	0	110.3	Y157 A159 F162 V185 I186 L187 V196 L200 L360 S364	Y157-I362 CarbonylContact O-C 3.58Å; Y157-I362 WeakPolarHBondContact O-CA 3.42Å; A159-I362 HydrophobicContact CB-CG2 3.79Å; F162-I362 HydrophobicContact CD1-CD1 4.26Å; F162-I362 HydrophobicContact CD2-CD1 3.91Å; F162-I362 HydrophobicContact CE1-CD1 4.45Å; F162-I362 HydrophobicContact CE2-CD1 4.11Å; F162-I362 HydrophobicContact CG-CD1 3.99Å; F162-I362 HydrophobicContact CZ-CD1 4.38Å; V185-I362 PolarHBondContact O-N 2.78Å; I186-I362 CarbonylContact C-O 3.5Å; I186-I362 WeakPolarHBondContact CA-O 3.46Å; I186-I362 HydrophobicContact CG1-CB 4.38Å; L187-I362 PolarHBondContact N-O 3.37Å; V196-I362 HydrophobicContact CG1-CD1 3.48Å; V196-I362 VanDerWaalsContact CG1-CD1 3.48Å; V196-I362 HydrophobicContact CG1-CG2 4.24Å; L200-I362 HydrophobicContact CD1-CD1 4.24Å; L360-I362 HydrophobicContact CD1-CD1 4.37Å; L360-I362 HydrophobicContact CD1-CG1 4.19Å; L360-I362 HydrophobicContact CD2-CD1 4.12Å; L360-I362 HydrophobicContact CG-CD1 4.16Å; L360-I362 HydrophobicContact CG-CG1 4.13Å; I362-S364 PolarHBondContact O-N 3.31Å
363	S	98.1	Very high	95.7	Very high	14 Å²	14	39.2 Å²	39.2	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	104.7	179.1	-174.7	0	0	0	0	111.7	Y157 A159 I365	Y157-S363 PolarHBondContact O-N 3.44Å; A159-S363 WeakPolarHBondContact CB-O 3.24Å; A159-S363 PolarHBondContact N-O 2.75Å; S363-I365 WeakPolarHBondContact OG-CG1 3.24Å
364	S	97.4	Very high	95.1	Very high	18 Å²	18	41.4 Å²	41.4	13%	0.126	25%	0.246	C	C	.	.			trans	-106.3	32.6	175.9	-174.6	0	0	0	0	112.2	L187 A193 I362 G366	L187-S364 CarbonylContact O-C 3.55Å; L187-S364 WeakPolarHBondContact O-CA 3.38Å; L187-S364 WeakPolarHBondContact O-CB 3.32Å; L187-S364 PolarHBondContact O-N 3.01Å; A193-S364 PolarHBondContact N-OG 2.93Å; I362-S364 PolarHBondContact O-N 3.31Å; S364-G366 PolarHBondContact O-N 3.34Å
365	I	93.8	Very high	94.4	Very high	73 Å²	73	41.1 Å²	41.1	37%	0.374	25%	0.254	S	S	.	.	S	Bend	trans	-82.2	10.6	-175	70.2	-176.8	0	0	0	114.6	R144 M146 L187 S363	R144-I365 HydrophobicContact CB-CD1 4.21Å; R144-I365 HydrophobicContact CB-CG1 3.92Å; M146-I365 HydrophobicContact CG-CD1 4.16Å; L187-I365 HydrophobicContact CB-CG2 4.14Å; L187-I365 WeakPolarHBondContact O-CG2 3.42Å; L187-I365 PolarHBondContact O-N 2.94Å; S363-I365 WeakPolarHBondContact OG-CG1 3.24Å
366	G	89.6	Confident	94	Very high	30 Å²	30	37.8 Å²	37.8	31%	0.309	24%	0.237	S	C	.	.			trans	103.1	169.6	175	0	0	0	0	0	114.7	R144 S364	R144-G366 WeakPolarHBondContact CB-O 3.34Å; R144-G366 VanDerWaalsContact CG-O 3.32Å; R144-G366 WeakPolarHBondContact CG-O 3.49Å; R144-G366 PolarHBondContact N-O 3.04Å; S364-G366 PolarHBondContact O-N 3.34Å
367	Y	92.3	Very high	93.8	Very high	26 Å²	26	38.8 Å²	38.8	10%	0.102	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	177.2	-175.9	-52.5	-102.9	0	0	0	111	G142 R144 K160 V192 W403 P408	G142-Y367 CarbonylContact O-C 3.56Å; G142-Y367 WeakPolarHBondContact O-CA 3.42Å; R144-Y367 PolarHBondContact NE-O 2.93Å; K160-Y367 HydrophobicContact CB-CD1 4.2Å; K160-Y367 HydrophobicContact CB-CE1 3.54Å; K160-Y367 HydrophobicContact CD-CD1 4.21Å; K160-Y367 HydrophobicContact CD-CE1 4.14Å; K160-Y367 HydrophobicContact CG-CD1 4.32Å; K160-Y367 HydrophobicContact CG-CE1 3.75Å; V192-Y367 HydrophobicContact CG2-CE2 4.44Å; Y367-W403 HydrophobicContact CD2-CH2 4.2Å; Y367-W403 AromaticContact CD2-CZ3 3.92Å; Y367-W403 HydrophobicContact CD2-CZ3 3.92Å; Y367-W403 HydrophobicContact CE2-CH2 4.15Å; Y367-W403 HydrophobicContact CE2-CZ3 4.17Å; Y367-W403 HydrophobicContact CG-CZ3 4.25Å; Y367-P408 HydrophobicContact CD2-CB 4.18Å; Y367-P408 HydrophobicContact CG-CB 4.38Å; Y367-P408 VanDerWaalsContact O-CG 3.32Å; Y367-P408 WeakPolarHBondContact O-CG 3.43Å
368	K	93.6	Very high	93.7	Very high	87 Å²	87	36 Å²	36	38%	0.378	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.8	165.9	65.4	173.3	-176.8	173.4	0	110	A140 E141 G142 N143 L370 A383	A140-K368 CarbonylContact C-O 3.58Å; E141-K368 PolarHBondContact N-O 2.8Å; G142-K368 WeakPolarHBondContact CA-O 3.2Å; G142-K368 PolarHBondContact N-O 3.19Å; G142-K368 PolarHBondContact O-N 3.07Å; N143-K368 WeakPolarHBondContact O-CE 3.3Å; K368-L370 HydrophobicContact CG-CD2 4.47Å; K368-A383 HydrophobicContact CB-CB 3.58Å
369	S	95.2	Very high	93.6	Very high	2 Å²	2	38 Å²	38	1%	0.014	23%	0.229	C	C	.	.			trans	-68.4	160.9	167.4	-37.5	0	0	0	0	109.3	F378 A383	S369-F378 WeakPolarHBondContact O-CZ 3.15Å; S369-A383 WeakPolarHBondContact CB-O 3.28Å; S369-A383 PolarHBondContact N-O 3.43Å; S369-A383 PolarHBondContact OG-O 3.24Å
370	L	94.6	Very high	93.4	Very high	67 Å²	67	41.9 Å²	41.9	35%	0.351	25%	0.254	S	S	.	.			trans	-121.7	143.4	174.6	-60.9	176.1	0	0	0	108	Y138 K368	Y138-L370 WeakPolarHBondContact CE2-O 3.17Å; Y138-L370 PolarHBondContact OH-O 2.88Å; K368-L370 HydrophobicContact CG-CD2 4.47Å
371	P	94.5	Very high	93	Very high	81 Å²	81	50.1 Å²	50.1	53%	0.526	29%	0.292	S	S	.	.			trans	-64.1	135.6	168.5	29.3	-33.4	0	0	0	108.7	F378	P371-F378 HydrophobicContact CB-CB 4.22Å; P371-F378 HydrophobicContact CB-CD1 4.17Å; P371-F378 HydrophobicContact CB-CD2 4.41Å; P371-F378 HydrophobicContact CB-CG 4.01Å; P371-F378 HydrophobicContact CG-CD1 4.33Å
372	I	92.4	Very high	92.7	Very high	46 Å²	46	57.6 Å²	57.6	24%	0.236	32%	0.32	C	S	.	.			trans	-104	-23.9	-179.5	62.3	161	0	0	0	113.1	V48 V118 G119 V124 L136 Y138	V48-I372 HydrophobicContact CG1-CD1 4.41Å; V118-I372 HydrophobicContact CG1-CD1 4.19Å; G119-I372 VanDerWaalsContact CA-O 3.27Å; G119-I372 WeakPolarHBondContact CA-O 3.3Å; V124-I372 HydrophobicContact CG2-CD1 4.17Å; L136-I372 HydrophobicContact CD2-CD1 4.38Å; Y138-I372 HydrophobicContact CD1-CD1 3.69Å; Y138-I372 HydrophobicContact CD1-CG1 4.34Å; Y138-I372 HydrophobicContact CD1-CG2 4.24Å; Y138-I372 HydrophobicContact CD2-CG2 4.08Å; Y138-I372 HydrophobicContact CE1-CB 4.43Å; Y138-I372 HydrophobicContact CE1-CD1 3.39Å; Y138-I372 HydrophobicContact CE1-CG1 3.64Å; Y138-I372 HydrophobicContact CE1-CG2 3.92Å; Y138-I372 HydrophobicContact CE2-CG2 3.76Å; Y138-I372 HydrophobicContact CG-CG2 4.31Å
373	D	88.8	Confident	92.6	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.059	32%	0.322	C	S	.	.			trans	-150.7	131.4	-172.4	-170.4	-50.5	0	0	0	108.3	T123 V124 A375 V376	T123-D373 WeakPolarHBondContact CA-OD2 3.49Å; T123-D373 WeakPolarHBondContact CB-OD2 3.4Å; V124-D373 HydrophobicContact CB-CB 4.33Å; V124-D373 HydrophobicContact CG2-CB 3.8Å; V124-D373 PolarHBondContact N-OD2 2.92Å; D373-A375 PolarHBondContact O-N 3.43Å; D373-A375 WeakPolarHBondContact OD1-CB 3.23Å; D373-A375 PolarHBondContact OD1-N 3.03Å; D373-V376 HydrophobicContact CB-CG2 4.07Å; D373-V376 PolarHBondContact O-N 3.47Å
374	P	85.6	Confident	92.5	Very high	138 Å²	138	57.4 Å²	57.4	90%	0.896	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.2	-178.1	28.5	-36.9	0	0	0	114.4	V376	P374-V376 PolarHBondContact O-N 3.43Å
375	A	81.6	Confident	92.5	Very high	52 Å²	52	56.6 Å²	56.6	43%	0.43	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.1	175.2	0	0	0	0	0	112.8	D125 D373	D125-A375 WeakPolarHBondContact OD1-CB 3.31Å; D373-A375 PolarHBondContact O-N 3.43Å; D373-A375 WeakPolarHBondContact OD1-CB 3.23Å; D373-A375 PolarHBondContact OD1-N 3.03Å
376	V	90.8	Very high	92.7	Very high	13 Å²	13	54.6 Å²	54.6	8%	0.079	31%	0.305	C	S	.	.	S	Bend	trans	-96.1	128.9	-174.3	-178.4	0	0	0	0	111.2	V124 L136 D373 P374 M385 L398	V124-V376 HydrophobicContact CB-CG2 3.75Å; V124-V376 HydrophobicContact CG1-CG2 3.68Å; V124-V376 HydrophobicContact CG2-CG2 3.83Å; L136-V376 HydrophobicContact CD1-CG1 3.72Å; L136-V376 HydrophobicContact CD1-CG2 4.46Å; D373-V376 HydrophobicContact CB-CG2 4.07Å; D373-V376 PolarHBondContact O-N 3.47Å; P374-V376 PolarHBondContact O-N 3.43Å; V376-M385 HydrophobicContact CG1-CE 3.46Å; V376-M385 VanDerWaalsContact CG1-CE 3.46Å; V376-M385 HydrophobicContact CG1-SD 3.69Å; V376-L398 HydrophobicContact CG1-CD2 4.07Å; V376-L398 HydrophobicContact CG2-CD2 4.22Å
377	P	93.1	Very high	93.1	Very high	37 Å²	37	54.9 Å²	54.9	24%	0.24	30%	0.299	C	S	.	.			trans	-63.7	140.6	178.6	27	-35.6	0	0	0	111.7	M385 P386 V392	P377-M385 HydrophobicContact CG-SD 4.33Å; P377-M385 WeakPolarHBondContact O-CE 3.44Å; P377-P386 HydrophobicContact CB-CG 4.38Å; P377-P386 WeakPolarHBondContact O-CD 3.4Å; P377-V392 HydrophobicContact CG-CG1 3.55Å
378	F	95.9	Very high	93.3	Very high	40 Å²	40	56.6 Å²	56.6	18%	0.175	32%	0.315	C	S	.	.			trans	-144.7	124.7	-178.4	-167.5	-100.6	0	0	0	112.2	S369 P371 S380 A383 M385 L404	S369-F378 WeakPolarHBondContact O-CZ 3.15Å; P371-F378 HydrophobicContact CB-CB 4.22Å; P371-F378 HydrophobicContact CB-CD1 4.17Å; P371-F378 HydrophobicContact CB-CD2 4.41Å; P371-F378 HydrophobicContact CB-CG 4.01Å; P371-F378 HydrophobicContact CG-CD1 4.33Å; F378-S380 PolarHBondContact O-N 3.01Å; F378-A383 HydrophobicContact CZ-CB 4.28Å; F378-M385 HydrophobicContact CD2-CE 4.46Å; F378-L404 HydrophobicContact CE2-CD1 4.25Å
379	D	95.6	Very high	93.5	Very high	46 Å²	46	56.7 Å²	56.7	25%	0.246	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-81.1	96.2	170.9	-177.7	-25.7	0	0	0	108.6	H381 R382 A383 V384 P386	D379-H381 PolarHBondContact O-N 2.82Å; D379-H381 WeakPolarHBondContact OD1-CA 3.33Å; D379-H381 WeakPolarHBondContact OD1-CB 3.38Å; D379-H381 PolarHBondContact OD1-N 2.74Å; D379-R382 HydrophobicContact CB-CB 4.38Å; D379-R382 PolarHBondContact OD1-N 3.25Å; D379-R382 WeakPolarHBondContact OD2-CB 3.33Å; D379-R382 WeakPolarHBondContact OD2-CD 3.42Å; D379-R382 WeakPolarHBondContact OD2-CG 3.29Å; D379-A383 WeakPolarHBondContact O-CA 3.38Å; D379-A383 PolarHBondContact O-N 3.44Å; D379-V384 HydrophobicContact CB-CG2 4.5Å; D379-V384 PolarHBondContact N-O 3.37Å; D379-V384 VanDerWaalsContact N-O 3.09Å; D379-V384 PolarHBondContact O-N 3.14Å; D379-P386 HydrophobicContact CB-CG 4.26Å
380	S	92.7	Very high	93.6	Very high	99 Å²	99	56.6 Å²	56.6	69%	0.692	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.3	179.6	-66.9	0	0	0	0	114.4	F378	F378-S380 PolarHBondContact O-N 3.01Å
381	H	91.4	Very high	93.8	Very high	172 Å²	172	56.6 Å²	56.6	80%	0.796	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-46	-179.8	172.5	-99.6	0	0	0	111.5	D379	D379-H381 PolarHBondContact O-N 2.82Å; D379-H381 WeakPolarHBondContact OD1-CA 3.33Å; D379-H381 WeakPolarHBondContact OD1-CB 3.38Å; D379-H381 PolarHBondContact OD1-N 2.74Å
382	R	92.1	Very high	94	Very high	157 Å²	157	53.2 Å²	53.2	59%	0.592	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-18.9	174.3	-66.1	177.1	59.5	-154.2	0.5	112.6	D379 V384	D379-R382 HydrophobicContact CB-CB 4.38Å; D379-R382 PolarHBondContact OD1-N 3.25Å; D379-R382 WeakPolarHBondContact OD2-CB 3.33Å; D379-R382 WeakPolarHBondContact OD2-CD 3.42Å; D379-R382 WeakPolarHBondContact OD2-CG 3.29Å; R382-V384 HydrophobicContact CB-CG2 3.74Å
383	A	95.6	Very high	94.2	Very high	6 Å²	6	54.9 Å²	54.9	5%	0.05	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	51	-173.9	0	0	0	0	0	113.4	K368 S369 F378 D379	K368-A383 HydrophobicContact CB-CB 3.58Å; S369-A383 WeakPolarHBondContact CB-O 3.28Å; S369-A383 PolarHBondContact N-O 3.43Å; S369-A383 PolarHBondContact OG-O 3.24Å; F378-A383 HydrophobicContact CZ-CB 4.28Å; D379-A383 WeakPolarHBondContact O-CA 3.38Å; D379-A383 PolarHBondContact O-N 3.44Å
384	V	96.4	Very high	94.3	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.024	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-142.1	163.1	-179.8	-63.2	0	0	0	0	110.7	D379 R382 P386 L404 G407	D379-V384 HydrophobicContact CB-CG2 4.5Å; D379-V384 PolarHBondContact N-O 3.37Å; D379-V384 VanDerWaalsContact N-O 3.09Å; D379-V384 PolarHBondContact O-N 3.14Å; R382-V384 HydrophobicContact CB-CG2 3.74Å; V384-P386 WeakPolarHBondContact O-CD 3.35Å; V384-L404 WeakPolarHBondContact CA-O 3.32Å; V384-L404 WeakPolarHBondContact CB-O 3.42Å; V384-G407 VanDerWaalsContact CG1-N 3.3Å
385	M	96.9	Very high	94.7	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.306	C	S	.	.			trans	-71.8	124.4	169.7	-169.8	59.5	44.3	0	0	110.7	L136 V376 P377 F378 N387 V392 C400 L404	L136-M385 HydrophobicContact CD1-CE 3.91Å; V376-M385 HydrophobicContact CG1-CE 3.46Å; V376-M385 VanDerWaalsContact CG1-CE 3.46Å; V376-M385 HydrophobicContact CG1-SD 3.69Å; P377-M385 HydrophobicContact CG-SD 4.33Å; P377-M385 WeakPolarHBondContact O-CE 3.44Å; F378-M385 HydrophobicContact CD2-CE 4.46Å; M385-N387 PolarHBondContact O-N 3.37Å; M385-N387 PolarHBondContact O-ND2 3.3Å; M385-V392 HydrophobicContact CG-CB 4.38Å; M385-V392 HydrophobicContact CG-CG1 3.98Å; M385-V392 HydrophobicContact CG-CG2 3.57Å; M385-V392 HydrophobicContact SD-CG1 3.62Å; M385-V392 HydrophobicContact SD-CG2 4.02Å; M385-C400 HydrophobicContact CB-CB 4.04Å; M385-C400 HydrophobicContact CG-CB 3.85Å; M385-L404 HydrophobicContact CB-CD1 4.12Å; M385-L404 HydrophobicContact CB-CG 3.92Å; M385-L404 HydrophobicContact CE-CD1 4.13Å; M385-L404 HydrophobicContact CE-CD2 4.19Å; M385-L404 HydrophobicContact CE-CG 4.39Å; M385-L404 PolarHBondContact N-O 2.97Å
386	P	97.4	Very high	95.3	Very high	31 Å²	31	61 Å²	61	20%	0.201	32%	0.322	C	S	.	.			trans	-61.2	115.7	169.3	-21.3	34.3	0	0	0	109.9	P377 D379 V384 H393	P377-P386 HydrophobicContact CB-CG 4.38Å; P377-P386 WeakPolarHBondContact O-CD 3.4Å; D379-P386 HydrophobicContact CB-CG 4.26Å; V384-P386 WeakPolarHBondContact O-CD 3.35Å; P386-H393 HydrophobicContact CB-CB 4.17Å; P386-H393 PolarHBondContact O-N 2.81Å
387	N	98.1	Very high	95.6	Very high	36 Å²	36	60.9 Å²	60.9	19%	0.193	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	157.3	-172.2	78.9	93	0	0	0	113.9	M385 G390 R391 H393 C400 K405	M385-N387 PolarHBondContact O-N 3.37Å; M385-N387 PolarHBondContact O-ND2 3.3Å; N387-G390 WeakPolarHBondContact OD1-CA 3.39Å; N387-G390 PolarHBondContact OD1-N 3.4Å; N387-R391 CarbonylContact C-O 3.27Å; N387-R391 WeakPolarHBondContact CA-O 3.4Å; N387-R391 VanDerWaalsContact CB-O 3.3Å; N387-R391 WeakPolarHBondContact CB-O 3.3Å; N387-H393 PolarHBondContact O-NE2 2.82Å; N387-C400 VanDerWaalsContact CB-SG 3.57Å; N387-K405 PolarHBondContact ND2-O 2.95Å
388	S	97.9	Very high	95.8	Very high	63 Å²	63	59.2 Å²	59.2	44%	0.441	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106.1	170.5	-70.2	0	0	0	0	109.6	G390 R391 H393	S388-G390 PolarHBondContact O-N 3.19Å; S388-R391 PolarHBondContact N-O 2.89Å; S388-R391 WeakPolarHBondContact O-CB 3.22Å; S388-R391 PolarHBondContact O-N 3.4Å; S388-H393 PolarHBondContact N-NE2 2.93Å; S388-H393 PolarHBondContact OG-NE2 3.23Å
389	V	96.8	Very high	96	Very high	88 Å²	88	57.6 Å²	57.6	53%	0.533	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	13.3	-177.4	-160.7	0	0	0	0	113.7	K405 D421 S425	V389-K405 VanDerWaalsContact O-CE 3.31Å; V389-K405 WeakPolarHBondContact O-CE 3.42Å; V389-K405 PolarHBondContact O-NZ 2.89Å; V389-D421 HydrophobicContact CG1-CB 4.29Å; V389-S425 PolarHBondContact O-OG 3.16Å
390	G	97.9	Very high	96.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	113.5	-13	-178.5	0	0	0	0	0	114.5	N387 S388 Y399 C400	N387-G390 WeakPolarHBondContact OD1-CA 3.39Å; N387-G390 PolarHBondContact OD1-N 3.4Å; S388-G390 PolarHBondContact O-N 3.19Å; G390-Y399 CarbonylContact O-C 3.33Å; G390-Y399 WeakPolarHBondContact O-CA 3.43Å; G390-Y399 WeakPolarHBondContact O-CB 3.1Å; G390-C400 PolarHBondContact O-N 3.03Å
391	R	98.5	Very high	96.4	Very high	68 Å²	68	50.7 Å²	50.7	26%	0.257	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.5	168.7	-63.8	169.8	177.4	99.2	-9.2	108.8	N387 S388 Y399 S425 E428 D429	N387-R391 CarbonylContact C-O 3.27Å; N387-R391 WeakPolarHBondContact CA-O 3.4Å; N387-R391 VanDerWaalsContact CB-O 3.3Å; N387-R391 WeakPolarHBondContact CB-O 3.3Å; S388-R391 PolarHBondContact N-O 2.89Å; S388-R391 WeakPolarHBondContact O-CB 3.22Å; S388-R391 PolarHBondContact O-N 3.4Å; R391-Y399 HydrophobicContact CG-CD1 4.11Å; R391-Y399 HydrophobicContact CG-CE1 3.74Å; R391-S425 VanDerWaalsContact NH1-CB 3.33Å; R391-S425 PolarHBondContact NH1-OG 2.8Å; R391-S425 PolarHBondContact NH2-O 2.85Å; R391-E428 IonicContact CZ-OE2 3.47Å; R391-E428 IonicContact NH1-OE2 3.24Å; R391-E428 IonicContact NH2-OE2 3.14Å; R391-E428 PolarHBondContact NH2-OE2 2.82Å; R391-D429 IonicContact CZ-OD1 3.31Å; R391-D429 IonicContact CZ-OD2 3.83Å; R391-D429 VanDerWaalsContact NE-CG 3.25Å; R391-D429 IonicContact NE-OD1 2.68Å; R391-D429 PolarHBondContact NE-OD1 2.83Å; R391-D429 IonicContact NE-OD2 2.75Å; R391-D429 PolarHBondContact NE-OD2 2.93Å; R391-D429 IonicContact NH2-OD1 2.69Å; R391-D429 PolarHBondContact NH2-OD1 3.36Å; R391-D429 IonicContact NH2-OD2 3.46Å
392	V	98.1	Very high	96.7	Very high	10 Å²	10	42.5 Å²	42.5	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.6	-177.8	179	0	0	0	0	110.2	P377 M385 A395 L398 C400	P377-V392 HydrophobicContact CG-CG1 3.55Å; M385-V392 HydrophobicContact CG-CB 4.38Å; M385-V392 HydrophobicContact CG-CG1 3.98Å; M385-V392 HydrophobicContact CG-CG2 3.57Å; M385-V392 HydrophobicContact SD-CG1 3.62Å; M385-V392 HydrophobicContact SD-CG2 4.02Å; V392-A395 HydrophobicContact CB-CB 4.27Å; V392-A395 HydrophobicContact CG1-CB 3.99Å; V392-L398 HydrophobicContact CB-CB 4.23Å; V392-L398 HydrophobicContact CB-CD2 4.36Å; V392-L398 HydrophobicContact CB-CG 4.23Å; V392-L398 WeakPolarHBondContact CB-O 3.44Å; V392-L398 HydrophobicContact CG1-CD2 4.2Å; V392-L398 HydrophobicContact CG2-CB 4.39Å; V392-L398 HydrophobicContact CG2-CD2 4.38Å; V392-L398 HydrophobicContact CG2-CG 4Å; V392-L398 WeakPolarHBondContact CG2-O 3.38Å; V392-L398 PolarHBondContact N-O 3.18Å; V392-C400 HydrophobicContact CG2-CB 4.23Å
393	H	96.5	Very high	97	Very high	81 Å²	81	37.2 Å²	37.2	38%	0.375	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	135.9	179.3	-64.5	163.3	0	0	0	110.4	P386 N387 S388 A395	P386-H393 HydrophobicContact CB-CB 4.17Å; P386-H393 PolarHBondContact O-N 2.81Å; N387-H393 PolarHBondContact O-NE2 2.82Å; S388-H393 PolarHBondContact N-NE2 2.93Å; S388-H393 PolarHBondContact OG-NE2 3.23Å; H393-A395 PolarHBondContact O-N 3.43Å; H393-A395 VanDerWaalsContact O-N 3.09Å
394	Q	91.8	Very high	97	Very high	194 Å²	194	37 Å²	37	91%	0.907	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	11.1	177.7	-57.6	174.6	-38.3	0	0	115.9
395	A	94.7	Very high	97.1	Very high	15 Å²	15	37.5 Å²	37.5	12%	0.124	20%	0.203	C	C	.	.			trans	-130.6	85.5	178.5	0	0	0	0	0	111.9	V392 H393 L398	V392-A395 HydrophobicContact CB-CB 4.27Å; V392-A395 HydrophobicContact CG1-CB 3.99Å; H393-A395 PolarHBondContact O-N 3.43Å; H393-A395 VanDerWaalsContact O-N 3.09Å; A395-L398 HydrophobicContact CB-CB 3.75Å; A395-L398 HydrophobicContact CB-CD2 3.77Å; A395-L398 HydrophobicContact CB-CG 4.39Å; A395-L398 WeakPolarHBondContact O-CB 3.44Å; A395-L398 PolarHBondContact O-N 2.92Å; A395-L398 VanDerWaalsContact O-N 3.12Å
396	P	94	Very high	97	Very high	119 Å²	119	40.5 Å²	40.5	77%	0.773	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	140.8	176.6	-24.3	35.2	0	0	0	112.7	Q128 L398	Q128-P396 PolarHBondContact NE2-O 3.07Å; Q128-P396 VanDerWaalsContact NE2-O 3.17Å; P396-L398 PolarHBondContact O-N 3.19Å
397	G	96.1	Very high	96.9	Very high	11 Å²	11	39.4 Å²	39.4	11%	0.113	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-5.2	-174.7	0	0	0	0	0	115.1	A133 V134 Y399	A133-G397 VanDerWaalsContact CA-O 3.28Å; A133-G397 WeakPolarHBondContact CA-O 3.35Å; V134-G397 PolarHBondContact N-O 3.43Å; G397-Y399 WeakPolarHBondContact O-CD2 3.37Å
398	L	98.3	Very high	96.6	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.8	175.5	-166.3	64.5	0	0	0	110.8	V124 V134 L136 V376 V392 A395 P396	V124-L398 HydrophobicContact CG1-CD1 3.88Å; V124-L398 HydrophobicContact CG1-CD2 4.4Å; V134-L398 HydrophobicContact CB-CD1 3.76Å; V134-L398 HydrophobicContact CG1-CD1 3.88Å; L136-L398 HydrophobicContact CD1-CD1 4.02Å; L136-L398 HydrophobicContact CD1-CD2 4.14Å; L136-L398 HydrophobicContact CD1-CG 4.25Å; L136-L398 HydrophobicContact CD2-CD1 4.27Å; L136-L398 HydrophobicContact CG-CD1 3.88Å; L136-L398 HydrophobicContact CG-CG 4.48Å; V376-L398 HydrophobicContact CG1-CD2 4.07Å; V376-L398 HydrophobicContact CG2-CD2 4.22Å; V392-L398 HydrophobicContact CB-CB 4.23Å; V392-L398 HydrophobicContact CB-CD2 4.36Å; V392-L398 HydrophobicContact CB-CG 4.23Å; V392-L398 WeakPolarHBondContact CB-O 3.44Å; V392-L398 HydrophobicContact CG1-CD2 4.2Å; V392-L398 HydrophobicContact CG2-CB 4.39Å; V392-L398 HydrophobicContact CG2-CD2 4.38Å; V392-L398 HydrophobicContact CG2-CG 4Å; V392-L398 WeakPolarHBondContact CG2-O 3.38Å; V392-L398 PolarHBondContact N-O 3.18Å; A395-L398 HydrophobicContact CB-CB 3.75Å; A395-L398 HydrophobicContact CB-CD2 3.77Å; A395-L398 HydrophobicContact CB-CG 4.39Å; A395-L398 WeakPolarHBondContact O-CB 3.44Å; A395-L398 PolarHBondContact O-N 2.92Å; A395-L398 VanDerWaalsContact O-N 3.12Å; P396-L398 PolarHBondContact O-N 3.19Å
399	Y	98.8	Very high	96.2	Very high	6 Å²	6	40.4 Å²	40.4	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	166.7	-178.9	-60.5	-96.6	0	0	0	110.3	A133 V134 V135 L136 G390 R391 G397 T422 L426 D429	A133-Y399 HydrophobicContact CB-CD2 4.09Å; A133-Y399 HydrophobicContact CB-CE2 3.85Å; V134-Y399 PolarHBondContact O-N 2.96Å; V135-Y399 WeakPolarHBondContact CA-O 2.99Å; L136-Y399 PolarHBondContact N-O 3.38Å; G390-Y399 CarbonylContact O-C 3.33Å; G390-Y399 WeakPolarHBondContact O-CA 3.43Å; G390-Y399 WeakPolarHBondContact O-CB 3.1Å; R391-Y399 HydrophobicContact CG-CD1 4.11Å; R391-Y399 HydrophobicContact CG-CE1 3.74Å; G397-Y399 WeakPolarHBondContact O-CD2 3.37Å; Y399-T422 HydrophobicContact CD1-CG2 4.49Å; Y399-L426 HydrophobicContact CD1-CB 4.09Å; Y399-L426 HydrophobicContact CD2-CD1 3.99Å; Y399-L426 HydrophobicContact CD2-CG 4.25Å; Y399-L426 HydrophobicContact CE1-CB 3.81Å; Y399-L426 HydrophobicContact CE1-CG 4.36Å; Y399-L426 HydrophobicContact CE2-CB 4.29Å; Y399-L426 HydrophobicContact CE2-CD1 4.14Å; Y399-L426 HydrophobicContact CE2-CG 3.93Å; Y399-L426 HydrophobicContact CG-CB 4.45Å; Y399-L426 HydrophobicContact CG-CD1 4.35Å; Y399-D429 VanDerWaalsContact CE1-OD2 3.3Å; Y399-D429 WeakPolarHBondContact CE1-OD2 3.41Å; Y399-D429 VanDerWaalsContact OH-CB 3.32Å; Y399-D429 WeakPolarHBondContact OH-CB 3.41Å; Y399-D429 PolarHBondContact OH-OD2 2.84Å
400	C	98.6	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.5	171.3	64.8	0	0	0	0	112.5	L136 M385 N387 G390 V392 L404 K405 T422	L136-C400 HydrophobicContact CB-CB 4.33Å; L136-C400 CarbonylContact O-C 3.59Å; L136-C400 WeakPolarHBondContact O-CA 3.36Å; L136-C400 WeakPolarHBondContact O-CB 3.36Å; M385-C400 HydrophobicContact CB-CB 4.04Å; M385-C400 HydrophobicContact CG-CB 3.85Å; N387-C400 VanDerWaalsContact CB-SG 3.57Å; G390-C400 PolarHBondContact O-N 3.03Å; V392-C400 HydrophobicContact CG2-CB 4.23Å; C400-L404 HydrophobicContact CB-CD2 4.28Å; C400-L404 HydrophobicContact CB-CG 4.48Å; C400-K405 HydrophobicContact CB-CB 4.46Å; C400-K405 WeakPolarHBondContact O-CD 3.15Å; C400-T422 WeakPolarHBondContact O-CG2 3.32Å; C400-T422 PolarHBondContact O-OG1 2.52Å
401	S	98.6	Very high	95.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.			trans	-142.8	161.7	175.8	64.2	0	0	0	0	113.3	T57 L136 S137	T57-S401 PolarHBondContact OG1-OG 3.26Å; L136-S401 PolarHBondContact O-N 3.3Å; S137-S401 WeakPolarHBondContact CB-OG 3.43Å
402	G	97.9	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	-146.1	177.7	0	0	0	0	0	114.3	L404 K405 T406 N418	G402-L404 PolarHBondContact O-N 3.39Å; G402-L404 VanDerWaalsContact O-N 3.16Å; G402-K405 WeakPolarHBondContact O-CA 3.35Å; G402-K405 WeakPolarHBondContact O-CB 3.37Å; G402-K405 PolarHBondContact O-N 2.95Å; G402-T406 PolarHBondContact O-N 2.83Å; G402-T406 PolarHBondContact O-OG1 3.34Å; G402-N418 WeakPolarHBondContact CA-OD1 3.46Å; G402-N418 PolarHBondContact N-OD1 2.8Å
403	W	97.6	Very high	95	Very high	46 Å²	46	41.7 Å²	41.7	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-25.4	-173.7	-74.5	-1.9	0	0	0	114.6	L82 A140 Y367 K405 G407 P408 T409	L82-W403 HydrophobicContact CD1-CE3 3.86Å; L82-W403 HydrophobicContact CD1-CH2 3.82Å; L82-W403 HydrophobicContact CD1-CZ3 3.34Å; A140-W403 HydrophobicContact CB-CB 4.29Å; A140-W403 HydrophobicContact CB-CE3 4.09Å; Y367-W403 HydrophobicContact CD2-CH2 4.2Å; Y367-W403 AromaticContact CD2-CZ3 3.92Å; Y367-W403 HydrophobicContact CD2-CZ3 3.92Å; Y367-W403 HydrophobicContact CE2-CH2 4.15Å; Y367-W403 HydrophobicContact CE2-CZ3 4.17Å; Y367-W403 HydrophobicContact CG-CZ3 4.25Å; W403-K405 VanDerWaalsContact C-N 3.31Å; W403-G407 CarbonylContact O-C 3.19Å; W403-G407 WeakPolarHBondContact O-CA 3.31Å; W403-G407 PolarHBondContact O-N 3.2Å; W403-P408 HydrophobicContact CB-CB 4.43Å; W403-P408 HydrophobicContact CD2-CB 3.74Å; W403-P408 HydrophobicContact CE3-CB 3.6Å; W403-P408 HydrophobicContact CG-CB 4.16Å; W403-P408 HydrophobicContact CH2-CB 4.45Å; W403-P408 HydrophobicContact CZ3-CB 3.96Å; W403-T409 PolarHBondContact NE1-O 3.11Å
404	L	97.2	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-34.2	171.9	178	61.8	0	0	0	112.1	L136 Y138 F378 V384 M385 C400 G402	L136-L404 HydrophobicContact CB-CD2 3.49Å; L136-L404 VanDerWaalsContact CB-CD2 3.49Å; Y138-L404 HydrophobicContact CD1-CD2 3.84Å; Y138-L404 HydrophobicContact CD2-CD2 4.32Å; Y138-L404 HydrophobicContact CE1-CD1 4.48Å; Y138-L404 HydrophobicContact CE1-CD2 3.34Å; Y138-L404 HydrophobicContact CE2-CD1 3.69Å; Y138-L404 HydrophobicContact CE2-CD2 3.87Å; Y138-L404 HydrophobicContact CE2-CG 4.29Å; Y138-L404 HydrophobicContact CG-CD2 4.31Å; Y138-L404 WeakPolarHBondContact OH-CD1 3.46Å; F378-L404 HydrophobicContact CE2-CD1 4.25Å; V384-L404 WeakPolarHBondContact CA-O 3.32Å; V384-L404 WeakPolarHBondContact CB-O 3.42Å; M385-L404 HydrophobicContact CB-CD1 4.12Å; M385-L404 HydrophobicContact CB-CG 3.92Å; M385-L404 HydrophobicContact CE-CD1 4.13Å; M385-L404 HydrophobicContact CE-CD2 4.19Å; M385-L404 HydrophobicContact CE-CG 4.39Å; M385-L404 PolarHBondContact N-O 2.97Å; C400-L404 HydrophobicContact CB-CD2 4.28Å; C400-L404 HydrophobicContact CB-CG 4.48Å; G402-L404 PolarHBondContact O-N 3.39Å; G402-L404 VanDerWaalsContact O-N 3.16Å
405	K	97.3	Very high	95.2	Very high	15 Å²	15	32.8 Å²	32.8	7%	0.065	21%	0.214	C	C	.	.	H	α-helix	trans	-80.2	-40.4	179.1	169.8	171.9	172	-169.6	0	112.9	N387 V389 C400 G402 W403 N418 T422	N387-K405 PolarHBondContact ND2-O 2.95Å; V389-K405 VanDerWaalsContact O-CE 3.31Å; V389-K405 WeakPolarHBondContact O-CE 3.42Å; V389-K405 PolarHBondContact O-NZ 2.89Å; C400-K405 HydrophobicContact CB-CB 4.46Å; C400-K405 WeakPolarHBondContact O-CD 3.15Å; G402-K405 WeakPolarHBondContact O-CA 3.35Å; G402-K405 WeakPolarHBondContact O-CB 3.37Å; G402-K405 PolarHBondContact O-N 2.95Å; W403-K405 VanDerWaalsContact C-N 3.31Å; K405-N418 WeakPolarHBondContact CD-ND2 3.41Å; K405-N418 WeakPolarHBondContact CD-OD1 3.38Å; K405-N418 WeakPolarHBondContact CE-ND2 3.46Å; K405-N418 PolarHBondContact NZ-ND2 2.7Å; K405-N418 PolarHBondContact NZ-O 3.09Å; K405-T422 WeakPolarHBondContact CD-OG1 3.31Å; K405-T422 PolarHBondContact NZ-OG1 3.39Å
406	T	95.1	Very high	95.3	Very high	65 Å²	65	34.5 Å²	34.5	40%	0.399	22%	0.22	S	C	.	.	H	α-helix	trans	-108.3	-13.1	-170.6	57.8	0	0	0	0	115.1	G402 N418	G402-T406 PolarHBondContact O-N 2.83Å; G402-T406 PolarHBondContact O-OG1 3.34Å; T406-N418 WeakPolarHBondContact CG2-ND2 3.36Å
407	G	94.9	Very high	95.5	Very high	7 Å²	7	33 Å²	33	7%	0.072	21%	0.205	C	C	.	.			trans	83.5	164.5	-159.8	0	0	0	0	0	111.8	V384 W403 T409	V384-G407 VanDerWaalsContact CG1-N 3.3Å; W403-G407 CarbonylContact O-C 3.19Å; W403-G407 WeakPolarHBondContact O-CA 3.31Å; W403-G407 PolarHBondContact O-N 3.2Å; G407-T409 VanDerWaalsContact C-N 3.28Å; G407-T409 PolarHBondContact O-N 3.26Å
408	P	93	Very high	95.5	Very high	24 Å²	24	33.4 Å²	33.4	16%	0.156	21%	0.205	C	C	.	.	S	Bend	trans	-82	70.4	-171.7	32.4	-34.4	0	0	0	112.6	A140 Y367 W403	A140-P408 HydrophobicContact CB-CB 3.94Å; A140-P408 HydrophobicContact CB-CG 4.29Å; Y367-P408 HydrophobicContact CD2-CB 4.18Å; Y367-P408 HydrophobicContact CG-CB 4.38Å; Y367-P408 VanDerWaalsContact O-CG 3.32Å; Y367-P408 WeakPolarHBondContact O-CG 3.43Å; W403-P408 HydrophobicContact CB-CB 4.43Å; W403-P408 HydrophobicContact CD2-CB 3.74Å; W403-P408 HydrophobicContact CE3-CB 3.6Å; W403-P408 HydrophobicContact CG-CB 4.16Å; W403-P408 HydrophobicContact CH2-CB 4.45Å; W403-P408 HydrophobicContact CZ3-CB 3.96Å
409	T	87.9	Confident	95.5	Very high	96 Å²	96	33.3 Å²	33.3	59%	0.589	20%	0.204	S	C	*	.			trans	-134.3	164.2	177.2	62.7	0	0	0	0	110.7	W403 G407	W403-T409 PolarHBondContact NE1-O 3.11Å; G407-T409 VanDerWaalsContact C-N 3.28Å; G407-T409 PolarHBondContact O-N 3.26Å
410	G	84.2	Confident	95.5	Very high	43 Å²	43	35.1 Å²	35.1	44%	0.443	21%	0.212	S	C	.	.	S	Bend	trans	78.4	176.6	-178.9	0	0	0	0	0	114.4
411	V	92.1	Very high	95.5	Very high	67 Å²	67	37.5 Å²	37.5	41%	0.406	23%	0.225	S	C	.	.			trans	-105.4	178.9	-177.9	-63.6	0	0	0	0	110.9	A413 T414 T415	V411-A413 HydrophobicContact CG2-CB 4.19Å; V411-A413 PolarHBondContact O-N 2.93Å; V411-T414 PolarHBondContact N-OG1 2.9Å; V411-T414 WeakPolarHBondContact O-CA 3.49Å; V411-T414 VanDerWaalsContact O-CB 3.32Å; V411-T414 WeakPolarHBondContact O-CB 3.14Å; V411-T414 PolarHBondContact O-N 3.17Å; V411-T415 PolarHBondContact O-N 2.86Å; V411-T415 PolarHBondContact O-OG1 3.46Å
412	I	95	Very high	95.5	Very high	32 Å²	32	37.5 Å²	37.5	16%	0.164	23%	0.225	C	C	.	.	H	α-helix	trans	-52.6	-40.3	178.1	-62.5	177.6	0	0	0	111.7	P52 Y56 V83 V87 V94 V97 T414 T415 M416	P52-I412 HydrophobicContact CB-CG2 4.3Å; P52-I412 HydrophobicContact CG-CG2 4.47Å; Y56-I412 HydrophobicContact CE2-CG2 3.86Å; V83-I412 HydrophobicContact CG2-CD1 4.02Å; V87-I412 HydrophobicContact CG2-CD1 4.14Å; V94-I412 HydrophobicContact CG1-CD1 3.67Å; V97-I412 HydrophobicContact CG1-CG2 4.38Å; V97-I412 HydrophobicContact CG2-CD1 4.33Å; V97-I412 HydrophobicContact CG2-CG2 4.48Å; I412-T414 PolarHBondContact O-N 3.03Å; I412-T415 WeakPolarHBondContact O-CB 3.43Å; I412-T415 PolarHBondContact O-N 2.88Å; I412-M416 PolarHBondContact O-N 2.69Å
413	A	95.1	Very high	95.6	Very high	52 Å²	52	37.5 Å²	37.5	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-33.3	176.2	0	0	0	0	0	113.8	V411 N417	V411-A413 HydrophobicContact CG2-CB 4.19Å; V411-A413 PolarHBondContact O-N 2.93Å; A413-N417 PolarHBondContact O-N 2.63Å
414	T	94.7	Very high	95.6	Very high	72 Å²	72	41 Å²	41	44%	0.442	24%	0.238	S	C	.	.	H	α-helix	trans	-67.2	-42.6	172.3	-45.3	0	0	0	0	110.4	V411 I412 N418	V411-T414 PolarHBondContact N-OG1 2.9Å; V411-T414 WeakPolarHBondContact O-CA 3.49Å; V411-T414 VanDerWaalsContact O-CB 3.32Å; V411-T414 WeakPolarHBondContact O-CB 3.14Å; V411-T414 PolarHBondContact O-N 3.17Å; I412-T414 PolarHBondContact O-N 3.03Å; T414-N418 WeakPolarHBondContact O-CB 3.18Å; T414-N418 PolarHBondContact O-N 3.39Å; T414-N418 VanDerWaalsContact O-N 3.11Å
415	T	97.7	Very high	95.7	Very high	16 Å²	16	41.1 Å²	41.1	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-42.2	176.4	-57.2	0	0	0	0	111.4	P52 A53 V411 I412 N418 S419	P52-T415 HydrophobicContact CB-CG2 4.04Å; A53-T415 HydrophobicContact CB-CG2 3.8Å; V411-T415 PolarHBondContact O-N 2.86Å; V411-T415 PolarHBondContact O-OG1 3.46Å; I412-T415 WeakPolarHBondContact O-CB 3.43Å; I412-T415 PolarHBondContact O-N 2.88Å; T415-N418 PolarHBondContact O-N 3.09Å; T415-S419 VanDerWaalsContact O-CB 3.31Å; T415-S419 WeakPolarHBondContact O-CB 3.38Å; T415-S419 PolarHBondContact O-N 3.2Å; T415-S419 PolarHBondContact O-OG 2.72Å
416	M	97.9	Very high	95.7	Very high	51 Å²	51	40.4 Å²	40.4	25%	0.251	24%	0.236	S	C	.	.	H	α-helix	trans	-54.9	-57.7	175.8	180	-178.4	76.2	0	0	111.9	Y56 I412 N418 S419 F420	Y56-M416 HydrophobicContact CD1-CB 4.25Å; Y56-M416 HydrophobicContact CD1-CG 3.65Å; Y56-M416 HydrophobicContact CD1-SD 4.31Å; Y56-M416 VanDerWaalsContact CD2-CA 3.48Å; Y56-M416 HydrophobicContact CD2-CB 3.59Å; Y56-M416 HydrophobicContact CD2-CG 3.94Å; Y56-M416 HydrophobicContact CE1-CB 4.21Å; Y56-M416 HydrophobicContact CE1-CG 3.67Å; Y56-M416 HydrophobicContact CE1-SD 3.76Å; Y56-M416 HydrophobicContact CE2-CB 3.54Å; Y56-M416 HydrophobicContact CE2-CG 3.96Å; Y56-M416 HydrophobicContact CG-CB 3.96Å; Y56-M416 HydrophobicContact CG-CG 3.8Å; I412-M416 PolarHBondContact O-N 2.69Å; M416-N418 VanDerWaalsContact C-N 3.34Å; M416-N418 PolarHBondContact O-N 2.83Å; M416-S419 PolarHBondContact O-N 3.2Å; M416-S419 VanDerWaalsContact O-N 3.11Å; M416-F420 HydrophobicContact CE-CE2 4.36Å; M416-F420 HydrophobicContact CG-CD2 4.18Å; M416-F420 HydrophobicContact CG-CE1 4.04Å; M416-F420 HydrophobicContact CG-CE2 3.5Å; M416-F420 HydrophobicContact CG-CZ 3.42Å; M416-F420 VanDerWaalsContact CG-CZ 3.42Å; M416-F420 WeakPolarHBondContact O-CG 3.25Å; M416-F420 PolarHBondContact O-N 3.34Å; M416-F420 HydrophobicContact SD-CE2 4.04Å; M416-F420 HydrophobicContact SD-CZ 4.04Å
417	N	97.5	Very high	95.9	Very high	88 Å²	88	38 Å²	38	47%	0.471	22%	0.221	S	C	.	.	H	α-helix	trans	-58.7	-46.8	-179.1	-67.7	-13.6	0	0	0	111.4	A413 S419 F420 D421	A413-N417 PolarHBondContact O-N 2.63Å; N417-S419 PolarHBondContact O-N 2.96Å; N417-F420 WeakPolarHBondContact O-CB 3.4Å; N417-F420 PolarHBondContact O-N 3.16Å; N417-F420 VanDerWaalsContact O-N 3.14Å; N417-D421 VanDerWaalsContact O-CG 3.24Å; N417-D421 PolarHBondContact O-N 2.8Å
418	N	96.6	Very high	96.1	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.102	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-31.7	178.4	177.2	-102.2	0	0	0	113.9	G402 K405 T406 T414 T415 M416 T422	G402-N418 WeakPolarHBondContact CA-OD1 3.46Å; G402-N418 PolarHBondContact N-OD1 2.8Å; K405-N418 WeakPolarHBondContact CD-ND2 3.41Å; K405-N418 WeakPolarHBondContact CD-OD1 3.38Å; K405-N418 WeakPolarHBondContact CE-ND2 3.46Å; K405-N418 PolarHBondContact NZ-ND2 2.7Å; K405-N418 PolarHBondContact NZ-O 3.09Å; T406-N418 WeakPolarHBondContact CG2-ND2 3.36Å; T414-N418 WeakPolarHBondContact O-CB 3.18Å; T414-N418 PolarHBondContact O-N 3.39Å; T414-N418 VanDerWaalsContact O-N 3.11Å; T415-N418 PolarHBondContact O-N 3.09Å; M416-N418 VanDerWaalsContact C-N 3.34Å; M416-N418 PolarHBondContact O-N 2.83Å; N418-T422 PolarHBondContact O-N 3.34Å; N418-T422 PolarHBondContact O-OG1 2.62Å
419	S	98.4	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-79.8	-31.6	178.6	-54.2	0	0	0	0	111.9	A53 T57 T415 M416 N417 T422 A423	A53-S419 WeakPolarHBondContact CA-OG 3.36Å; A53-S419 PolarHBondContact O-OG 3.13Å; T57-S419 WeakPolarHBondContact OG1-CB 3.47Å; T57-S419 PolarHBondContact OG1-O 3.16Å; T415-S419 VanDerWaalsContact O-CB 3.31Å; T415-S419 WeakPolarHBondContact O-CB 3.38Å; T415-S419 PolarHBondContact O-N 3.2Å; T415-S419 PolarHBondContact O-OG 2.72Å; M416-S419 PolarHBondContact O-N 3.2Å; M416-S419 VanDerWaalsContact O-N 3.11Å; N417-S419 PolarHBondContact O-N 2.96Å; S419-T422 PolarHBondContact O-N 2.82Å; S419-A423 WeakPolarHBondContact O-CB 3.31Å; S419-A423 PolarHBondContact O-N 3.45Å
420	F	98.6	Very high	96.7	Very high	44 Å²	44	38 Å²	38	19%	0.193	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-37.1	167.3	-62.5	-14.4	0	0	0	111.5	Y56 H60 M416 N417 A423 R424	Y56-F420 HydrophobicContact CD1-CE1 4.01Å; Y56-F420 HydrophobicContact CD1-CZ 4.13Å; Y56-F420 HydrophobicContact CG-CE1 4.32Å; Y56-F420 WeakPolarHBondContact O-CE1 3.19Å; H60-F420 HydrophobicContact CB-CD1 3.7Å; H60-F420 HydrophobicContact CB-CE1 4.1Å; H60-F420 AromaticContact CE1-CG 3.96Å; H60-F420 AromaticContact CG-CD1 3.78Å; H60-F420 AromaticContact ND1-CD1 3.24Å; H60-F420 WeakPolarHBondContact ND1-CD1 3.36Å; H60-F420 AromaticContact ND1-CD2 3.96Å; H60-F420 AromaticContact ND1-CE1 3.84Å; H60-F420 AromaticContact ND1-CG 3.3Å; H60-F420 VanDerWaalsContact ND1-CG 3.3Å; H60-F420 WeakPolarHBondContact ND1-CG 3.46Å; M416-F420 HydrophobicContact CE-CE2 4.36Å; M416-F420 HydrophobicContact CG-CD2 4.18Å; M416-F420 HydrophobicContact CG-CE1 4.04Å; M416-F420 HydrophobicContact CG-CE2 3.5Å; M416-F420 HydrophobicContact CG-CZ 3.42Å; M416-F420 VanDerWaalsContact CG-CZ 3.42Å; M416-F420 WeakPolarHBondContact O-CG 3.25Å; M416-F420 PolarHBondContact O-N 3.34Å; M416-F420 HydrophobicContact SD-CE2 4.04Å; M416-F420 HydrophobicContact SD-CZ 4.04Å; N417-F420 WeakPolarHBondContact O-CB 3.4Å; N417-F420 PolarHBondContact O-N 3.16Å; N417-F420 VanDerWaalsContact O-N 3.14Å; F420-A423 PolarHBondContact O-N 2.75Å; F420-R424 WeakPolarHBondContact O-CB 3.41Å; F420-R424 WeakPolarHBondContact O-CG 3.22Å; F420-R424 PolarHBondContact O-N 3.41Å
421	D	98.4	Very high	97.3	Very high	50 Å²	50	41.5 Å²	41.5	27%	0.267	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-40.4	174.4	-57.9	-31	0	0	0	112.3	V389 N417 R424 S425	V389-D421 HydrophobicContact CG1-CB 4.29Å; N417-D421 VanDerWaalsContact O-CG 3.24Å; N417-D421 PolarHBondContact O-N 2.8Å; D421-R424 IonicContact OD1-CZ 3.55Å; D421-R424 IonicContact OD1-NE 2.7Å; D421-R424 IonicContact OD1-NH2 3.55Å; D421-R424 PolarHBondContact OD1-NH2 2.73Å; D421-S425 WeakPolarHBondContact O-CB 3.31Å; D421-S425 PolarHBondContact O-N 2.73Å; D421-S425 PolarHBondContact O-OG 3.44Å
422	T	98.8	Very high	97.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-44	173.3	-61.8	0	0	0	0	111.3	V135 Y399 C400 K405 N418 S419 R424 S425 L426	V135-T422 HydrophobicContact CG1-CG2 4Å; Y399-T422 HydrophobicContact CD1-CG2 4.49Å; C400-T422 WeakPolarHBondContact O-CG2 3.32Å; C400-T422 PolarHBondContact O-OG1 2.52Å; K405-T422 WeakPolarHBondContact CD-OG1 3.31Å; K405-T422 PolarHBondContact NZ-OG1 3.39Å; N418-T422 PolarHBondContact O-N 3.34Å; N418-T422 PolarHBondContact O-OG1 2.62Å; S419-T422 PolarHBondContact O-N 2.82Å; T422-R424 PolarHBondContact O-N 2.78Å; T422-S425 WeakPolarHBondContact O-CB 3.31Å; T422-S425 PolarHBondContact O-N 2.79Å; T422-L426 PolarHBondContact O-N 3.02Å
423	A	98.8	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-42.5	178.4	0	0	0	0	0	111.9	T57 H60 L61 S419 F420 L426 L427	T57-A423 HydrophobicContact CG2-CB 4.28Å; H60-A423 HydrophobicContact CB-CB 3.64Å; L61-A423 HydrophobicContact CD2-CB 4.1Å; L61-A423 HydrophobicContact CG-CB 4.23Å; S419-A423 WeakPolarHBondContact O-CB 3.31Å; S419-A423 PolarHBondContact O-N 3.45Å; F420-A423 PolarHBondContact O-N 2.75Å; A423-L426 PolarHBondContact O-N 3.37Å; A423-L427 WeakPolarHBondContact O-CD1 3.46Å; A423-L427 WeakPolarHBondContact O-CG 3.34Å; A423-L427 PolarHBondContact O-N 2.81Å
424	R	98.6	Very high	97.5	Very high	121 Å²	121	44.7 Å²	44.7	46%	0.457	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-44.1	173	-71.8	-172	-62.6	140.8	-6.4	112	F420 D421 T422 L426 L427 E428	F420-R424 WeakPolarHBondContact O-CB 3.41Å; F420-R424 WeakPolarHBondContact O-CG 3.22Å; F420-R424 PolarHBondContact O-N 3.41Å; D421-R424 IonicContact OD1-CZ 3.55Å; D421-R424 IonicContact OD1-NE 2.7Å; D421-R424 IonicContact OD1-NH2 3.55Å; D421-R424 PolarHBondContact OD1-NH2 2.73Å; T422-R424 PolarHBondContact O-N 2.78Å; R424-L426 VanDerWaalsContact C-N 3.32Å; R424-L426 PolarHBondContact O-N 3.04Å; R424-L427 PolarHBondContact O-N 2.84Å; R424-E428 WeakPolarHBondContact O-CB 3.45Å; R424-E428 VanDerWaalsContact O-CG 3.23Å; R424-E428 WeakPolarHBondContact O-CG 3.45Å; R424-E428 PolarHBondContact O-N 2.87Å
425	S	98.7	Very high	97.6	Very high	2 Å²	2	42 Å²	42	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-57.3	-44.6	175.8	-60.1	0	0	0	0	112.3	V389 R391 D421 T422 D429	V389-S425 PolarHBondContact O-OG 3.16Å; R391-S425 VanDerWaalsContact NH1-CB 3.33Å; R391-S425 PolarHBondContact NH1-OG 2.8Å; R391-S425 PolarHBondContact NH2-O 2.85Å; D421-S425 WeakPolarHBondContact O-CB 3.31Å; D421-S425 PolarHBondContact O-N 2.73Å; D421-S425 PolarHBondContact O-OG 3.44Å; T422-S425 WeakPolarHBondContact O-CB 3.31Å; T422-S425 PolarHBondContact O-N 2.79Å; S425-D429 PolarHBondContact O-N 3.21Å; S425-D429 VanDerWaalsContact O-N 3.09Å
426	L	98.6	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-42.3	177.7	-177.3	166.5	0	0	0	111.6	V45 L61 A133 V135 Y399 T422 A423 R424 D429 M430	V45-L426 HydrophobicContact CG1-CD1 4Å; V45-L426 HydrophobicContact CG2-CD2 4.39Å; L61-L426 HydrophobicContact CD1-CD1 4.37Å; L61-L426 HydrophobicContact CD2-CD1 4.42Å; L61-L426 HydrophobicContact CD2-CD2 3.76Å; A133-L426 HydrophobicContact CB-CD1 3.82Å; A133-L426 HydrophobicContact CB-CG 4.2Å; V135-L426 HydrophobicContact CG2-CD1 3.77Å; Y399-L426 HydrophobicContact CD1-CB 4.09Å; Y399-L426 HydrophobicContact CD2-CD1 3.99Å; Y399-L426 HydrophobicContact CD2-CG 4.25Å; Y399-L426 HydrophobicContact CE1-CB 3.81Å; Y399-L426 HydrophobicContact CE1-CG 4.36Å; Y399-L426 HydrophobicContact CE2-CB 4.29Å; Y399-L426 HydrophobicContact CE2-CD1 4.14Å; Y399-L426 HydrophobicContact CE2-CG 3.93Å; Y399-L426 HydrophobicContact CG-CB 4.45Å; Y399-L426 HydrophobicContact CG-CD1 4.35Å; T422-L426 PolarHBondContact O-N 3.02Å; A423-L426 PolarHBondContact O-N 3.37Å; R424-L426 VanDerWaalsContact C-N 3.32Å; R424-L426 PolarHBondContact O-N 3.04Å; L426-D429 PolarHBondContact O-N 3.2Å; L426-M430 HydrophobicContact CD2-CE 3.47Å; L426-M430 VanDerWaalsContact CD2-CE 3.47Å; L426-M430 HydrophobicContact CD2-CG 4.17Å; L426-M430 HydrophobicContact CD2-SD 3.66Å; L426-M430 WeakPolarHBondContact O-CG 3.19Å; L426-M430 PolarHBondContact O-N 3Å
427	L	98.4	Very high	97.3	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-43.5	176.4	-68.7	163.6	0	0	0	112.1	L61 A64 R65 A423 R424 D429 M430 D431	L61-L427 HydrophobicContact CD2-CD1 4.25Å; L61-L427 HydrophobicContact CD2-CD2 4.03Å; L61-L427 HydrophobicContact CD2-CG 3.86Å; A64-L427 HydrophobicContact CB-CD1 3.47Å; A64-L427 VanDerWaalsContact CB-CD1 3.47Å; A64-L427 HydrophobicContact CB-CD2 4.3Å; R65-L427 HydrophobicContact CB-CD2 4.45Å; R65-L427 VanDerWaalsContact CD-CD2 3.46Å; R65-L427 HydrophobicContact CG-CD2 3.72Å; A423-L427 WeakPolarHBondContact O-CD1 3.46Å; A423-L427 WeakPolarHBondContact O-CG 3.34Å; A423-L427 PolarHBondContact O-N 2.81Å; R424-L427 PolarHBondContact O-N 2.84Å; L427-D429 VanDerWaalsContact C-N 3.27Å; L427-D429 PolarHBondContact O-N 3.24Å; L427-M430 PolarHBondContact O-N 2.9Å; L427-D431 WeakPolarHBondContact O-CB 3.12Å; L427-D431 PolarHBondContact O-N 3.5Å
428	E	98.3	Very high	97	Very high	94 Å²	94	44.3 Å²	44.3	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-56.5	-40.8	172.9	-73.2	160.2	-169.5	0	0	111.6	R391 R424 S432	R391-E428 IonicContact CZ-OE2 3.47Å; R391-E428 IonicContact NH1-OE2 3.24Å; R391-E428 IonicContact NH2-OE2 3.14Å; R391-E428 PolarHBondContact NH2-OE2 2.82Å; R424-E428 WeakPolarHBondContact O-CB 3.45Å; R424-E428 VanDerWaalsContact O-CG 3.23Å; R424-E428 WeakPolarHBondContact O-CG 3.45Å; R424-E428 PolarHBondContact O-N 2.87Å; E428-S432 VanDerWaalsContact O-CB 3.23Å; E428-S432 WeakPolarHBondContact O-CB 3.33Å; E428-S432 PolarHBondContact O-N 3.19Å; E428-S432 PolarHBondContact O-OG 3.3Å
429	D	98.3	Very high	96.8	Very high	20 Å²	20	46.3 Å²	46.3	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-70.6	-38.2	179.6	-62.5	-18.2	0	0	0	111.7	R391 Y399 S425 L426 L427 S432 G433 A434 L435	R391-D429 IonicContact CZ-OD1 3.31Å; R391-D429 IonicContact CZ-OD2 3.83Å; R391-D429 VanDerWaalsContact NE-CG 3.25Å; R391-D429 IonicContact NE-OD1 2.68Å; R391-D429 PolarHBondContact NE-OD1 2.83Å; R391-D429 IonicContact NE-OD2 2.75Å; R391-D429 PolarHBondContact NE-OD2 2.93Å; R391-D429 IonicContact NH2-OD1 2.69Å; R391-D429 PolarHBondContact NH2-OD1 3.36Å; R391-D429 IonicContact NH2-OD2 3.46Å; Y399-D429 VanDerWaalsContact CE1-OD2 3.3Å; Y399-D429 WeakPolarHBondContact CE1-OD2 3.41Å; Y399-D429 VanDerWaalsContact OH-CB 3.32Å; Y399-D429 WeakPolarHBondContact OH-CB 3.41Å; Y399-D429 PolarHBondContact OH-OD2 2.84Å; S425-D429 PolarHBondContact O-N 3.21Å; S425-D429 VanDerWaalsContact O-N 3.09Å; L426-D429 PolarHBondContact O-N 3.2Å; L427-D429 VanDerWaalsContact C-N 3.27Å; L427-D429 PolarHBondContact O-N 3.24Å; D429-S432 PolarHBondContact O-OG 2.98Å; D429-G433 PolarHBondContact O-N 2.76Å; D429-A434 HydrophobicContact CB-CB 4.23Å; D429-A434 PolarHBondContact O-N 3.44Å; D429-L435 HydrophobicContact CB-CB 3.94Å; D429-L435 PolarHBondContact O-N 2.93Å
430	M	96.8	Very high	96.6	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.054	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-46.7	172.1	-70.2	-177.7	166.8	0	0	112.2	P43 V45 L426 L427 S432 G433 L435 V437	P43-M430 HydrophobicContact CB-CE 3.74Å; P43-M430 HydrophobicContact CB-SD 4.06Å; V45-M430 HydrophobicContact CG2-CE 3.78Å; L426-M430 HydrophobicContact CD2-CE 3.47Å; L426-M430 VanDerWaalsContact CD2-CE 3.47Å; L426-M430 HydrophobicContact CD2-CG 4.17Å; L426-M430 HydrophobicContact CD2-SD 3.66Å; L426-M430 WeakPolarHBondContact O-CG 3.19Å; L426-M430 PolarHBondContact O-N 3Å; L427-M430 PolarHBondContact O-N 2.9Å; M430-S432 VanDerWaalsContact C-N 3.35Å; M430-G433 PolarHBondContact O-N 2.75Å; M430-L435 HydrophobicContact CE-CD2 3.95Å; M430-L435 HydrophobicContact CG-CD2 3.88Å; M430-V437 HydrophobicContact CB-CG1 4.47Å; M430-V437 HydrophobicContact CE-CG1 3.96Å; M430-V437 HydrophobicContact CG-CG1 3.81Å; M430-V437 HydrophobicContact SD-CG1 4.29Å
431	D	95.8	Very high	96.5	Very high	117 Å²	117	51.5 Å²	51.5	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-73	-28.3	-174.6	-67.7	-10.7	0	0	0	112.2	R65 L427	R65-D431 IonicContact CZ-OD1 3.86Å; R65-D431 IonicContact NH1-OD1 3.7Å; R65-D431 PolarHBondContact NH1-OD1 3.17Å; L427-D431 WeakPolarHBondContact O-CB 3.12Å; L427-D431 PolarHBondContact O-N 3.5Å
432	S	96.6	Very high	96.4	Very high	85 Å²	85	51.2 Å²	51.2	59%	0.594	32%	0.316	S	S	*	.	H	α-helix	trans	-87.3	-9.9	175.5	60.8	0	0	0	0	114.5	E428 D429 M430 A434	E428-S432 VanDerWaalsContact O-CB 3.23Å; E428-S432 WeakPolarHBondContact O-CB 3.33Å; E428-S432 PolarHBondContact O-N 3.19Å; E428-S432 PolarHBondContact O-OG 3.3Å; D429-S432 PolarHBondContact O-OG 2.98Å; M430-S432 VanDerWaalsContact C-N 3.35Å; S432-A434 PolarHBondContact O-N 3.31Å
433	G	95	Very high	96.4	Very high	54 Å²	54	51.2 Å²	51.2	56%	0.557	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	8.7	-172.8	0	0	0	0	0	114.5	D429 M430 L435	D429-G433 PolarHBondContact O-N 2.76Å; M430-G433 PolarHBondContact O-N 2.75Å; G433-L435 PolarHBondContact O-N 2.81Å
434	A	95.8	Very high	96.3	Very high	79 Å²	79	52.1 Å²	52.1	65%	0.653	32%	0.322	S	S	*	.	S	Bend	trans	-66.5	-23.3	169.6	0	0	0	0	0	112.1	D429 S432	D429-A434 HydrophobicContact CB-CB 4.23Å; D429-A434 PolarHBondContact O-N 3.44Å; S432-A434 PolarHBondContact O-N 3.31Å
435	L	96.3	Very high	96.2	Very high	16 Å²	16	53 Å²	53	8%	0.084	33%	0.331	C	S	.	.	S	Bend	trans	-112.3	111.3	163.7	-174.9	66.9	0	0	0	109.4	A133 D429 M430 G433 V437	A133-L435 HydrophobicContact CB-CD2 3.88Å; D429-L435 HydrophobicContact CB-CB 3.94Å; D429-L435 PolarHBondContact O-N 2.93Å; M430-L435 HydrophobicContact CE-CD2 3.95Å; M430-L435 HydrophobicContact CG-CD2 3.88Å; G433-L435 PolarHBondContact O-N 2.81Å; L435-V437 HydrophobicContact CD2-CG1 4.35Å; L435-V437 HydrophobicContact CG-CG1 4.33Å; L435-V437 PolarHBondContact O-N 2.89Å
436	D	94	Very high	96.1	Very high	96 Å²	96	56.8 Å²	56.8	51%	0.513	35%	0.349	S	S	.	.			trans	-71.9	110.9	176.7	-176.4	16.8	0	0	0	111.2	S438 P439	D436-S438 VanDerWaalsContact OD1-CB 3.27Å; D436-S438 WeakPolarHBondContact OD1-CB 3.4Å; D436-S438 PolarHBondContact OD1-N 3.48Å; D436-S438 PolarHBondContact OD1-OG 3.37Å; D436-S438 PolarHBondContact OD2-OG 2.93Å; D436-P439 WeakPolarHBondContact OD1-CD 3.34Å; D436-P439 WeakPolarHBondContact OD2-CD 3.45Å
437	V	95	Very high	96.1	Very high	23 Å²	23	56.8 Å²	56.8	14%	0.139	35%	0.349	C	S	.	.			trans	-104.5	7.9	175.9	-62.8	0	0	0	0	113.1	S41 P43 H132 M430 L435	S41-V437 WeakPolarHBondContact CB-O 3.44Å; S41-V437 PolarHBondContact OG-O 3.38Å; P43-V437 HydrophobicContact CB-CB 4.37Å; P43-V437 HydrophobicContact CB-CG1 4.17Å; P43-V437 HydrophobicContact CG-CB 4.21Å; P43-V437 HydrophobicContact CG-CG1 4.44Å; P43-V437 HydrophobicContact CG-CG2 4.37Å; H132-V437 HydrophobicContact CB-CG1 4.16Å; M430-V437 HydrophobicContact CB-CG1 4.47Å; M430-V437 HydrophobicContact CE-CG1 3.96Å; M430-V437 HydrophobicContact CG-CG1 3.81Å; M430-V437 HydrophobicContact SD-CG1 4.29Å; L435-V437 HydrophobicContact CD2-CG1 4.35Å; L435-V437 HydrophobicContact CG-CG1 4.33Å; L435-V437 PolarHBondContact O-N 2.89Å
438	S	91.9	Very high	96	Very high	85 Å²	85	57.7 Å²	57.7	59%	0.594	36%	0.357	S	S	*	.			trans	-74.7	-30.1	179.1	72.4	0	0	0	0	115.8	S41 D436	S41-S438 PolarHBondContact OG-O 3.3Å; D436-S438 VanDerWaalsContact OD1-CB 3.27Å; D436-S438 WeakPolarHBondContact OD1-CB 3.4Å; D436-S438 PolarHBondContact OD1-N 3.48Å; D436-S438 PolarHBondContact OD1-OG 3.37Å; D436-S438 PolarHBondContact OD2-OG 2.93Å
439	P	92.8	Very high	96	Very high	60 Å²	60	55.5 Å²	55.5	39%	0.39	35%	0.352	S	S	.	.	S	Bend	trans	-74.8	136.5	176.9	-16.4	32.3	0	0	0	111.2	H132 D436 K441	H132-P439 PolarHBondContact NE2-O 2.94Å; D436-P439 WeakPolarHBondContact OD1-CD 3.34Å; D436-P439 WeakPolarHBondContact OD2-CD 3.45Å; P439-K441 PolarHBondContact O-N 3.38Å; P439-K441 VanDerWaalsContact O-N 3.16Å
440	A	94.1	Very high	96	Very high	97 Å²	97	55.9 Å²	55.9	80%	0.802	35%	0.354	S	S	*	.			trans	-66.8	115.9	173.9	0	0	0	0	0	111.2
441	K	96.3	Very high	96.1	Very high	56 Å²	56	55.4 Å²	55.4	24%	0.243	35%	0.351	C	S	.	.			trans	-96	138.3	176.1	-75	-75.5	-173	149.1	0	112	K44 Q128 G129 A130 Y131 H132 P439	K44-K441 WeakPolarHBondContact CD-O 3.14Å; K44-K441 WeakPolarHBondContact CE-O 3.47Å; K44-K441 PolarHBondContact NZ-O 3.43Å; Q128-K441 PolarHBondContact O-NZ 2.72Å; G129-K441 WeakPolarHBondContact O-CD 3.22Å; G129-K441 PolarHBondContact O-NZ 3.5Å; A130-K441 WeakPolarHBondContact O-CB 3.44Å; Y131-K441 WeakPolarHBondContact O-CD 3.45Å; Y131-K441 WeakPolarHBondContact O-CE 3.36Å; Y131-K441 PolarHBondContact O-NZ 2.88Å; H132-K441 VanDerWaalsContact CD2-CG 3.49Å; H132-K441 WeakPolarHBondContact CD2-CG 3.42Å; H132-K441 WeakPolarHBondContact NE2-CG 3.42Å; P439-K441 PolarHBondContact O-N 3.38Å; P439-K441 VanDerWaalsContact O-N 3.16Å
442	P	96.5	Very high	96.1	Very high	44 Å²	44	57 Å²	57	29%	0.286	36%	0.355	S	S	.	.			trans	-71.1	-33.5	-179.2	28.7	-34.7	0	0	0	112.6	K44 A130 E446	K44-P442 PolarHBondContact NZ-O 2.83Å; A130-P442 HydrophobicContact CB-CG 4.49Å; A130-P442 WeakPolarHBondContact O-CD 3.43Å; P442-E446 HydrophobicContact CB-CB 3.9Å; P442-E446 HydrophobicContact CG-CB 3.7Å; P442-E446 HydrophobicContact CG-CG 4.42Å
443	G	97.3	Very high	96.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	-135.8	-176.4	0	0	0	0	0	112.2	A130 Q445 E446 V447	A130-G443 VanDerWaalsContact O-CA 3.25Å; A130-G443 WeakPolarHBondContact O-CA 3.36Å; A130-G443 PolarHBondContact O-N 3.46Å; G443-Q445 PolarHBondContact O-N 2.95Å; G443-E446 PolarHBondContact O-N 3.5Å; G443-E446 VanDerWaalsContact O-N 3.16Å; G443-V447 PolarHBondContact O-N 2.81Å
444	S	96.8	Very high	96.3	Very high	20 Å²	20	63.6 Å²	63.6	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-17.3	-178.2	33.9	0	0	0	0	114.9	D71 Y113 Y131 S448	D71-S444 WeakPolarHBondContact OD2-CB 3.39Å; D71-S444 PolarHBondContact OD2-N 2.68Å; D71-S444 PolarHBondContact OD2-OG 3.13Å; Y113-S444 WeakPolarHBondContact OH-CB 3.4Å; Y113-S444 PolarHBondContact OH-OG 3.28Å; Y131-S444 WeakPolarHBondContact OH-CA 3.32Å; Y131-S444 PolarHBondContact OH-N 3.27Å; S444-S448 WeakPolarHBondContact O-CB 3.45Å; S444-S448 PolarHBondContact O-N 3.33Å; S444-S448 PolarHBondContact O-OG 3.01Å
445	Q	96.9	Very high	96.4	Very high	138 Å²	138	63.1 Å²	63.1	65%	0.645	36%	0.357	S	S	*	.	H	α-helix	trans	-64.8	-44.8	173.9	-67	177.7	-18.4	0	0	112.2	G443 S449	G443-Q445 PolarHBondContact O-N 2.95Å; Q445-S449 PolarHBondContact O-N 3.19Å; Q445-S449 PolarHBondContact O-OG 2.68Å
446	E	97.3	Very high	96.4	Very high	83 Å²	83	63.5 Å²	63.5	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-69.5	-46.6	176.3	-176.1	59.6	-143.4	0	0	110.2	A130 P442 G443 S448 S449 L450	A130-E446 HydrophobicContact CB-CB 4.23Å; P442-E446 HydrophobicContact CB-CB 3.9Å; P442-E446 HydrophobicContact CG-CB 3.7Å; P442-E446 HydrophobicContact CG-CG 4.42Å; G443-E446 PolarHBondContact O-N 3.5Å; G443-E446 VanDerWaalsContact O-N 3.16Å; E446-S448 PolarHBondContact O-N 3.41Å; E446-S449 WeakPolarHBondContact O-CB 3.23Å; E446-S449 PolarHBondContact O-N 2.78Å; E446-S449 VanDerWaalsContact O-N 3.13Å; E446-L450 HydrophobicContact CG-CD1 4.34Å; E446-L450 WeakPolarHBondContact O-CG 3.5Å; E446-L450 PolarHBondContact O-N 2.78Å
447	V	98.1	Very high	96.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.2	-41.3	-178	-177.6	0	0	0	0	111.9	Y73 V122 L127 A130 Y131 G443 S449 L450 L451	Y73-V447 HydrophobicContact CE1-CG1 3.71Å; Y73-V447 WeakPolarHBondContact OH-CB 3.34Å; Y73-V447 WeakPolarHBondContact OH-CG1 3.27Å; V122-V447 HydrophobicContact CG2-CG1 4.13Å; L127-V447 HydrophobicContact CD2-CG1 4.37Å; L127-V447 HydrophobicContact CD2-CG2 3.86Å; A130-V447 HydrophobicContact CB-CG2 3.83Å; Y131-V447 HydrophobicContact CE2-CG2 3.9Å; G443-V447 PolarHBondContact O-N 2.81Å; V447-S449 VanDerWaalsContact C-N 3.29Å; V447-S449 PolarHBondContact O-N 3.21Å; V447-L450 PolarHBondContact O-N 3.02Å; V447-L451 HydrophobicContact CG1-CD1 3.81Å; V447-L451 HydrophobicContact CG1-CG 4.12Å; V447-L451 WeakPolarHBondContact O-CB 3.34Å; V447-L451 VanDerWaalsContact O-CG 3.24Å; V447-L451 WeakPolarHBondContact O-CG 3.25Å; V447-L451 PolarHBondContact O-N 2.94Å
448	S	97.3	Very high	96.7	Very high	34 Å²	34	65.7 Å²	65.7	24%	0.238	36%	0.363	C	S	.	.	H	α-helix	trans	-60.6	-42.3	174.9	-58.1	0	0	0	0	110.8	S444 E446 L450 L451 E452	S444-S448 WeakPolarHBondContact O-CB 3.45Å; S444-S448 PolarHBondContact O-N 3.33Å; S444-S448 PolarHBondContact O-OG 3.01Å; E446-S448 PolarHBondContact O-N 3.41Å; S448-L450 VanDerWaalsContact C-N 3.32Å; S448-L450 PolarHBondContact O-N 3.14Å; S448-L451 PolarHBondContact O-N 3.4Å; S448-E452 WeakPolarHBondContact O-CB 3.26Å; S448-E452 WeakPolarHBondContact O-CG 3.44Å; S448-E452 PolarHBondContact O-N 3.29Å
449	S	97.4	Very high	97	Very high	48 Å²	48	61.8 Å²	61.8	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-34.5	176.3	-57.2	0	0	0	0	113	Q445 E446 V447 K453	Q445-S449 PolarHBondContact O-N 3.19Å; Q445-S449 PolarHBondContact O-OG 2.68Å; E446-S449 WeakPolarHBondContact O-CB 3.23Å; E446-S449 PolarHBondContact O-N 2.78Å; E446-S449 VanDerWaalsContact O-N 3.13Å; V447-S449 VanDerWaalsContact C-N 3.29Å; V447-S449 PolarHBondContact O-N 3.21Å; S449-K453 VanDerWaalsContact O-CD 3.28Å; S449-K453 WeakPolarHBondContact O-CD 3.08Å; S449-K453 WeakPolarHBondContact O-CG 3.41Å; S449-K453 PolarHBondContact O-N 3.21Å
450	L	98	Very high	97.3	Very high	28 Å²	28	61.3 Å²	61.3	15%	0.147	33%	0.331	C	S	.	.	H	α-helix	trans	-71.3	-44.3	173.5	-69.3	170.9	0	0	0	112	E126 E446 V447 S448 K453 R454	E126-L450 HydrophobicContact CB-CD1 4.27Å; E126-L450 HydrophobicContact CG-CD1 4.27Å; E446-L450 HydrophobicContact CG-CD1 4.34Å; E446-L450 WeakPolarHBondContact O-CG 3.5Å; E446-L450 PolarHBondContact O-N 2.78Å; V447-L450 PolarHBondContact O-N 3.02Å; S448-L450 VanDerWaalsContact C-N 3.32Å; S448-L450 PolarHBondContact O-N 3.14Å; L450-K453 PolarHBondContact O-N 3.44Å; L450-R454 VanDerWaalsContact O-CG 3.31Å; L450-R454 WeakPolarHBondContact O-CG 3.4Å; L450-R454 PolarHBondContact O-N 3.41Å; L450-R454 VanDerWaalsContact O-N 3.15Å
451	L	98.1	Very high	97.5	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-41.1	-179.5	-67.4	173.4	0	0	0	111.7	V116 D121 V122 V447 S448 R454 G455 V456 P458	V116-L451 HydrophobicContact CG1-CD1 3.87Å; V116-L451 HydrophobicContact CG1-CD2 3.87Å; V116-L451 HydrophobicContact CG2-CD1 3.76Å; D121-L451 HydrophobicContact CB-CD2 4.01Å; V122-L451 HydrophobicContact CB-CD2 4.32Å; V447-L451 HydrophobicContact CG1-CD1 3.81Å; V447-L451 HydrophobicContact CG1-CG 4.12Å; V447-L451 WeakPolarHBondContact O-CB 3.34Å; V447-L451 VanDerWaalsContact O-CG 3.24Å; V447-L451 WeakPolarHBondContact O-CG 3.25Å; V447-L451 PolarHBondContact O-N 2.94Å; S448-L451 PolarHBondContact O-N 3.4Å; L451-R454 CarbonylContact O-C 2.97Å; L451-R454 WeakPolarHBondContact O-CA 3.43Å; L451-R454 PolarHBondContact O-N 3.43Å; L451-G455 PolarHBondContact O-N 3.15Å; L451-G455 VanDerWaalsContact O-N 3.08Å; L451-V456 CarbonylContact C-O 3.41Å; L451-V456 HydrophobicContact CB-CB 4.2Å; L451-V456 HydrophobicContact CD2-CB 3.99Å; L451-V456 HydrophobicContact CD2-CG1 3.94Å; L451-V456 PolarHBondContact O-N 3.18Å; L451-P458 HydrophobicContact CD1-CG 3.93Å
452	E	97	Very high	97.6	Very high	150 Å²	150	58.3 Å²	58.3	70%	0.701	31%	0.309	S	S	*	.	H	α-helix	trans	-59.5	-47.6	173.8	-76.7	178.8	-176.4	0	0	112.1	S448 R454 G455	S448-E452 WeakPolarHBondContact O-CB 3.26Å; S448-E452 WeakPolarHBondContact O-CG 3.44Å; S448-E452 PolarHBondContact O-N 3.29Å; E452-R454 PolarHBondContact O-N 3Å; E452-G455 PolarHBondContact O-N 3.5Å
453	K	97.6	Very high	97.7	Very high	167 Å²	167	57.3 Å²	57.3	73%	0.726	30%	0.301	S	S	*	.	H	α-helix	trans	-59.2	-25.9	174.3	-71.2	166.6	-169.8	167.7	0	112.9	S449 L450	S449-K453 VanDerWaalsContact O-CD 3.28Å; S449-K453 WeakPolarHBondContact O-CD 3.08Å; S449-K453 WeakPolarHBondContact O-CG 3.41Å; S449-K453 PolarHBondContact O-N 3.21Å; L450-K453 PolarHBondContact O-N 3.44Å
454	R	98.1	Very high	97.8	Very high	110 Å²	110	57.5 Å²	57.5	42%	0.415	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.9	177.5	-69	172.2	179.5	162.3	5.9	113.6	D121 E126 L450 L451 E452 V456	D121-R454 WeakPolarHBondContact O-CD 3.29Å; D121-R454 PolarHBondContact O-NH1 3.26Å; E126-R454 IonicContact OE1-CZ 3.5Å; E126-R454 IonicContact OE1-NH1 3.45Å; E126-R454 PolarHBondContact OE1-NH1 3.22Å; E126-R454 IonicContact OE1-NH2 2.67Å; E126-R454 PolarHBondContact OE1-NH2 3.08Å; E126-R454 IonicContact OE2-CZ 3.59Å; E126-R454 IonicContact OE2-NH1 2.75Å; E126-R454 PolarHBondContact OE2-NH1 3.5Å; E126-R454 IonicContact OE2-NH2 3.52Å; L450-R454 VanDerWaalsContact O-CG 3.31Å; L450-R454 WeakPolarHBondContact O-CG 3.4Å; L450-R454 PolarHBondContact O-N 3.41Å; L450-R454 VanDerWaalsContact O-N 3.15Å; L451-R454 CarbonylContact O-C 2.97Å; L451-R454 WeakPolarHBondContact O-CA 3.43Å; L451-R454 PolarHBondContact O-N 3.43Å; E452-R454 PolarHBondContact O-N 3Å; R454-V456 HydrophobicContact CB-CG2 4.19Å; R454-V456 PolarHBondContact O-N 2.88Å
455	G	97.4	Very high	97.8	Very high	69 Å²	69	60 Å²	60	71%	0.711	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	12.7	-176.4	0	0	0	0	0	114.2	L451 E452	L451-G455 PolarHBondContact O-N 3.15Å; L451-G455 VanDerWaalsContact O-N 3.08Å; E452-G455 PolarHBondContact O-N 3.5Å
456	V	97.6	Very high	97.9	Very high	24 Å²	24	57 Å²	57	15%	0.145	30%	0.296	C	S	.	.			trans	-88.6	115.1	178.5	-179.7	0	0	0	0	108.2	D121 L451 R454 P458	D121-V456 HydrophobicContact CB-CG1 4.28Å; D121-V456 HydrophobicContact CB-CG2 4.02Å; L451-V456 CarbonylContact C-O 3.41Å; L451-V456 HydrophobicContact CB-CB 4.2Å; L451-V456 HydrophobicContact CD2-CB 3.99Å; L451-V456 HydrophobicContact CD2-CG1 3.94Å; L451-V456 PolarHBondContact O-N 3.18Å; R454-V456 HydrophobicContact CB-CG2 4.19Å; R454-V456 PolarHBondContact O-N 2.88Å; V456-P458 WeakPolarHBondContact O-CD 3.3Å
457	R	96.1	Very high	98	Very high	138 Å²	138	53 Å²	53	52%	0.521	28%	0.278	S	S	.	.			trans	-99.1	114.3	175.6	-177.4	170.5	172.6	179.5	-2.4	109.8	N115	N115-R457 PolarHBondContact ND2-O 2.97Å
458	P	98.1	Very high	98	Very high	28 Å²	28	55.1 Å²	55.1	18%	0.182	29%	0.289	C	S	.	.			trans	-62.5	160	172.6	-22.5	34	0	0	0	112.8	Y113 G114 V116 L451 V456	Y113-P458 HydrophobicContact CD1-CB 3.96Å; Y113-P458 HydrophobicContact CD1-CG 4.29Å; G114-P458 CarbonylContact O-C 3.56Å; G114-P458 VanDerWaalsContact O-CA 3.28Å; G114-P458 WeakPolarHBondContact O-CA 3.39Å; V116-P458 HydrophobicContact CG2-CB 4.03Å; V116-P458 HydrophobicContact CG2-CG 3.95Å; L451-P458 HydrophobicContact CD1-CG 3.93Å; V456-P458 WeakPolarHBondContact O-CD 3.3Å
459	V	98.6	Very high	98.1	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.018	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-108.9	116.5	169.7	175.3	0	0	0	0	107.5	P77 F112 G114 N115 D463 L492 A495	P77-V459 HydrophobicContact CB-CG2 4.15Å; P77-V459 WeakPolarHBondContact O-CG1 3.16Å; F112-V459 WeakPolarHBondContact CD1-O 3.49Å; G114-V459 PolarHBondContact N-O 2.82Å; G114-V459 PolarHBondContact O-N 3.5Å; N115-V459 HydrophobicContact CB-CB 4.49Å; N115-V459 HydrophobicContact CB-CG2 3.82Å; V459-D463 HydrophobicContact CG1-CB 3.75Å; V459-L492 HydrophobicContact CG2-CD2 3.56Å; V459-A495 HydrophobicContact CG1-CB 4.05Å; V459-A495 HydrophobicContact CG2-CB 4.25Å
460	T	98.6	Very high	98.2	Very high	50 Å²	50	56 Å²	56	31%	0.307	29%	0.293	S	S	.	.			trans	-75	167.8	179.1	68.1	0	0	0	0	111.4	F112 S462 D463 W464	F112-T460 WeakPolarHBondContact O-CA 3.22Å; T460-S462 VanDerWaalsContact C-N 3.28Å; T460-S462 PolarHBondContact O-N 3.34Å; T460-S462 PolarHBondContact OG1-OG 3.28Å; T460-D463 WeakPolarHBondContact CB-OD2 3.37Å; T460-D463 PolarHBondContact N-OD2 3.45Å; T460-D463 VanDerWaalsContact N-OD2 3.07Å; T460-D463 PolarHBondContact O-N 2.93Å; T460-D463 VanDerWaalsContact O-N 3.13Å; T460-D463 PolarHBondContact OG1-N 2.73Å; T460-D463 PolarHBondContact OG1-OD2 3.24Å; T460-W464 PolarHBondContact O-N 3.18Å
461	F	98.5	Very high	98.2	Very high	17 Å²	17	54.7 Å²	54.7	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-38.8	176.6	-161.7	-100.6	0	0	0	112	P79 F80 T102 A105 K106 F112 D463 W464 E465	P79-F461 HydrophobicContact CG-CE2 4.17Å; F80-F461 HydrophobicContact CZ-CE2 4.25Å; F80-F461 HydrophobicContact CZ-CZ 4.33Å; T102-F461 HydrophobicContact CG2-CE1 4.04Å; T102-F461 HydrophobicContact CG2-CZ 4.01Å; A105-F461 HydrophobicContact CB-CD1 4.07Å; A105-F461 HydrophobicContact CB-CD2 3.45Å; A105-F461 VanDerWaalsContact CB-CD2 3.45Å; A105-F461 HydrophobicContact CB-CE1 4.01Å; A105-F461 HydrophobicContact CB-CE2 3.37Å; A105-F461 HydrophobicContact CB-CG 3.8Å; A105-F461 HydrophobicContact CB-CZ 3.67Å; K106-F461 HydrophobicContact CG-CD1 4.22Å; K106-F461 HydrophobicContact CG-CE1 4.09Å; F112-F461 HydrophobicContact CB-CB 3.99Å; F112-F461 HydrophobicContact CB-CD2 4.22Å; F112-F461 HydrophobicContact CD1-CB 4.45Å; F112-F461 HydrophobicContact CD1-CD2 4.34Å; F112-F461 HydrophobicContact CG-CD2 4.29Å; F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 3.06Å; F461-W464 AromaticContact CD2-CD1 3.89Å; F461-W464 AromaticContact CE2-CD1 3.55Å; F461-W464 AromaticContact CZ-CD1 3.78Å; F461-W464 WeakPolarHBondContact O-CB 3.42Å; F461-W464 PolarHBondContact O-N 3.3Å; F461-E465 HydrophobicContact CD1-CG 4.14Å; F461-E465 HydrophobicContact CE1-CG 4.02Å; F461-E465 WeakPolarHBondContact O-CG 3.26Å; F461-E465 PolarHBondContact O-N 3.46Å
462	S	98.4	Very high	98.2	Very high	72 Å²	72	56.6 Å²	56.6	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-29.4	175.3	44	0	0	0	0	113.4	T460 E465	T460-S462 VanDerWaalsContact C-N 3.28Å; T460-S462 PolarHBondContact O-N 3.34Å; T460-S462 PolarHBondContact OG1-OG 3.28Å; S462-E465 PolarHBondContact O-N 3.39Å
463	D	98.6	Very high	98.3	Very high	24 Å²	24	57.6 Å²	57.6	13%	0.128	30%	0.295	C	S	.	.	H	α-helix	trans	-72.3	-36.4	171.7	-62.5	-46.6	0	0	0	111.4	V459 T460 F461 E465 K466 A495	V459-D463 HydrophobicContact CG1-CB 3.75Å; T460-D463 WeakPolarHBondContact CB-OD2 3.37Å; T460-D463 PolarHBondContact N-OD2 3.45Å; T460-D463 VanDerWaalsContact N-OD2 3.07Å; T460-D463 PolarHBondContact O-N 2.93Å; T460-D463 VanDerWaalsContact O-N 3.13Å; T460-D463 PolarHBondContact OG1-N 2.73Å; T460-D463 PolarHBondContact OG1-OD2 3.24Å; F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 3.06Å; D463-E465 VanDerWaalsContact C-N 3.33Å; D463-K466 WeakPolarHBondContact O-CB 3.37Å; D463-K466 PolarHBondContact O-N 3.21Å; D463-K466 IonicContact OD1-NZ 3.89Å; D463-K466 PolarHBondContact OD1-NZ 2.77Å; D463-A495 HydrophobicContact CB-CB 3.96Å; D463-A495 VanDerWaalsContact OD1-O 3.1Å
464	W	98.5	Very high	98.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-39.7	169.4	153.9	-107.8	0	0	0	111.9	V78 P79 F80 T460 F461 K466 I467 D468	V78-W464 HydrophobicContact CB-CE3 3.6Å; V78-W464 HydrophobicContact CB-CH2 4.33Å; V78-W464 HydrophobicContact CB-CZ3 3.49Å; V78-W464 VanDerWaalsContact CB-CZ3 3.49Å; V78-W464 HydrophobicContact CG1-CE3 3.51Å; V78-W464 HydrophobicContact CG1-CZ3 3.4Å; P79-W464 HydrophobicContact CG-CD2 3.96Å; P79-W464 HydrophobicContact CG-CG 3.93Å; P79-W464 HydrophobicContact CG-CZ2 4.49Å; F80-W464 HydrophobicContact CD2-CZ2 4.47Å; F80-W464 AromaticContact CE2-CZ2 3.91Å; F80-W464 HydrophobicContact CE2-CZ2 3.91Å; F80-W464 AromaticContact CE2-NE1 3.89Å; T460-W464 PolarHBondContact O-N 3.18Å; F461-W464 AromaticContact CD2-CD1 3.89Å; F461-W464 AromaticContact CE2-CD1 3.55Å; F461-W464 AromaticContact CZ-CD1 3.78Å; F461-W464 WeakPolarHBondContact O-CB 3.42Å; F461-W464 PolarHBondContact O-N 3.3Å; W464-K466 PolarHBondContact O-N 3.07Å; W464-I467 HydrophobicContact CE3-CB 3.83Å; W464-I467 HydrophobicContact CE3-CD1 4.29Å; W464-I467 HydrophobicContact CE3-CG2 3.99Å; W464-I467 HydrophobicContact CZ3-CB 3.97Å; W464-I467 HydrophobicContact CZ3-CG2 3.64Å; W464-I467 WeakPolarHBondContact O-CA 3.49Å; W464-I467 WeakPolarHBondContact O-CB 3.48Å; W464-I467 PolarHBondContact O-N 2.73Å; W464-D468 HydrophobicContact CD2-CB 4.46Å; W464-D468 HydrophobicContact CH2-CB 4.02Å; W464-D468 HydrophobicContact CZ2-CB 3.73Å; W464-D468 WeakPolarHBondContact CZ2-OD1 3.44Å; W464-D468 PolarHBondContact O-N 3.1Å
465	E	98.6	Very high	98.3	Very high	71 Å²	71	49.1 Å²	49.1	33%	0.332	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-26.5	177.4	-67.7	-166.4	101	0	0	113.2	K106 F461 S462 D463 S469	K106-E465 VanDerWaalsContact CE-CD 3.47Å; K106-E465 WeakPolarHBondContact CE-OE1 3.42Å; K106-E465 WeakPolarHBondContact CE-OE2 3.35Å; K106-E465 IonicContact NZ-OE1 2.78Å; K106-E465 PolarHBondContact NZ-OE1 2.81Å; K106-E465 IonicContact NZ-OE2 2.69Å; K106-E465 PolarHBondContact NZ-OE2 3.3Å; F461-E465 HydrophobicContact CD1-CG 4.14Å; F461-E465 HydrophobicContact CE1-CG 4.02Å; F461-E465 WeakPolarHBondContact O-CG 3.26Å; F461-E465 PolarHBondContact O-N 3.46Å; S462-E465 PolarHBondContact O-N 3.39Å; D463-E465 VanDerWaalsContact C-N 3.33Å; E465-S469 VanDerWaalsContact O-CB 3.23Å; E465-S469 WeakPolarHBondContact O-CB 3.45Å; E465-S469 PolarHBondContact O-N 3.37Å
466	K	98.8	Very high	98.3	Very high	75 Å²	75	51.2 Å²	51.2	33%	0.326	25%	0.254	S	S	.	.	H	α-helix	trans	-67.6	-41.6	171.1	-54.1	171.1	-170	169.9	0	111.7	D463 W464 L470 V494 A495 A497	D463-K466 WeakPolarHBondContact O-CB 3.37Å; D463-K466 PolarHBondContact O-N 3.21Å; D463-K466 IonicContact OD1-NZ 3.89Å; D463-K466 PolarHBondContact OD1-NZ 2.77Å; W464-K466 PolarHBondContact O-N 3.07Å; K466-L470 PolarHBondContact O-N 3.31Å; K466-L470 VanDerWaalsContact O-N 3.07Å; K466-V494 HydrophobicContact CB-CG1 4.4Å; K466-A495 PolarHBondContact NZ-O 3.3Å; K466-A497 VanDerWaalsContact CD-OXT 3.3Å; K466-A497 WeakPolarHBondContact CD-OXT 3.41Å; K466-A497 VanDerWaalsContact CE-OXT 3.29Å; K466-A497 WeakPolarHBondContact CE-OXT 3.4Å; K466-A497 PolarHBondContact NZ-OXT 2.98Å
467	I	98.8	Very high	98.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-51.2	173.7	-61.1	168.4	0	0	0	109.2	P77 V78 W464 S469 L470 E471 L485 M491 V494 A495	P77-I467 HydrophobicContact CB-CD1 4.25Å; V78-I467 HydrophobicContact CG1-CD1 4.01Å; V78-I467 HydrophobicContact CG1-CG2 4.21Å; W464-I467 HydrophobicContact CE3-CB 3.83Å; W464-I467 HydrophobicContact CE3-CD1 4.29Å; W464-I467 HydrophobicContact CE3-CG2 3.99Å; W464-I467 HydrophobicContact CZ3-CB 3.97Å; W464-I467 HydrophobicContact CZ3-CG2 3.64Å; W464-I467 WeakPolarHBondContact O-CA 3.49Å; W464-I467 WeakPolarHBondContact O-CB 3.48Å; W464-I467 PolarHBondContact O-N 2.73Å; I467-S469 VanDerWaalsContact C-N 3.31Å; I467-S469 PolarHBondContact O-N 2.75Å; I467-L470 PolarHBondContact O-N 3.46Å; I467-L470 VanDerWaalsContact O-N 3.12Å; I467-E471 HydrophobicContact CG2-CG 4.16Å; I467-E471 WeakPolarHBondContact O-CG 3.3Å; I467-E471 PolarHBondContact O-N 2.85Å; I467-L485 HydrophobicContact CG2-CD1 3.77Å; I467-L485 HydrophobicContact CG2-CG 4.21Å; I467-M491 HydrophobicContact CD1-CB 3.87Å; I467-M491 HydrophobicContact CD1-CG 4.36Å; I467-M491 WeakPolarHBondContact CD1-O 3.28Å; I467-V494 HydrophobicContact CG1-CB 4.26Å; I467-V494 HydrophobicContact CG1-CG1 4.07Å; I467-A495 HydrophobicContact CD1-CB 4.13Å; I467-A495 HydrophobicContact CG1-CB 4.42Å
468	D	98.7	Very high	98.2	Very high	45 Å²	45	51 Å²	51	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-43.2	-179.1	-164.4	63.6	0	0	0	112.6	W464 E471 T472 R482	W464-D468 HydrophobicContact CD2-CB 4.46Å; W464-D468 HydrophobicContact CH2-CB 4.02Å; W464-D468 HydrophobicContact CZ2-CB 3.73Å; W464-D468 WeakPolarHBondContact CZ2-OD1 3.44Å; W464-D468 PolarHBondContact O-N 3.1Å; D468-E471 PolarHBondContact O-N 3.44Å; D468-T472 WeakPolarHBondContact O-CB 3.48Å; D468-T472 PolarHBondContact O-N 3.19Å; D468-T472 PolarHBondContact O-OG1 3.26Å; D468-R482 IonicContact OD1-CZ 3.71Å; D468-R482 IonicContact OD1-NH1 2.72Å; D468-R482 PolarHBondContact OD1-NH1 3.44Å; D468-R482 IonicContact OD1-NH2 3.51Å; D468-R482 PolarHBondContact OD1-NH2 2.65Å; D468-R482 IonicContact OD2-NH2 2.75Å
469	S	98.6	Very high	98.2	Very high	78 Å²	78	52.3 Å²	52.3	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-44.8	174.7	-179	0	0	0	0	112.4	E465 I467 R473	E465-S469 VanDerWaalsContact O-CB 3.23Å; E465-S469 WeakPolarHBondContact O-CB 3.45Å; E465-S469 PolarHBondContact O-N 3.37Å; I467-S469 VanDerWaalsContact C-N 3.31Å; I467-S469 PolarHBondContact O-N 2.75Å; S469-R473 VanDerWaalsContact O-CB 3.3Å; S469-R473 WeakPolarHBondContact O-CB 3.45Å; S469-R473 PolarHBondContact O-N 3.22Å
470	L	98.7	Very high	98.1	Very high	22 Å²	22	52.6 Å²	52.6	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-44.5	176.3	176.6	63.1	0	0	0	112.1	K466 I467 R473 R474 L485 V494	K466-L470 PolarHBondContact O-N 3.31Å; K466-L470 VanDerWaalsContact O-N 3.07Å; I467-L470 PolarHBondContact O-N 3.46Å; I467-L470 VanDerWaalsContact O-N 3.12Å; L470-R473 PolarHBondContact O-N 3.4Å; L470-R474 HydrophobicContact CD1-CG 4.29Å; L470-R474 WeakPolarHBondContact O-CG 3.45Å; L470-R474 PolarHBondContact O-N 3.22Å; L470-L485 HydrophobicContact CD2-CD1 4.28Å; L470-L485 HydrophobicContact CD2-CD2 4Å; L470-L485 HydrophobicContact CG-CD2 4.46Å; L470-V494 HydrophobicContact CB-CG1 4.16Å; L470-V494 HydrophobicContact CD2-CB 4.23Å; L470-V494 HydrophobicContact CD2-CG1 3.79Å; L470-V494 HydrophobicContact CD2-CG2 3.39Å
471	E	98.7	Very high	98.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-45.6	179.3	-70.3	-168.2	159.9	0	0	111.7	R84 I467 D468 R474 G475 R482 E483 K484 L485	R84-E471 IonicContact CZ-OE1 3.72Å; R84-E471 IonicContact CZ-OE2 3.5Å; R84-E471 IonicContact NH1-OE1 3.86Å; R84-E471 IonicContact NH1-OE2 3.57Å; R84-E471 PolarHBondContact NH1-OE2 3.07Å; R84-E471 IonicContact NH2-OE1 3.61Å; R84-E471 PolarHBondContact NH2-OE1 3.12Å; R84-E471 IonicContact NH2-OE2 3.55Å; R84-E471 PolarHBondContact NH2-OE2 3.38Å; I467-E471 HydrophobicContact CG2-CG 4.16Å; I467-E471 WeakPolarHBondContact O-CG 3.3Å; I467-E471 PolarHBondContact O-N 2.85Å; D468-E471 PolarHBondContact O-N 3.44Å; E471-R474 PolarHBondContact O-N 3.27Å; E471-G475 PolarHBondContact O-N 3.18Å; E471-R482 HydrophobicContact CB-CB 4.07Å; E471-R482 CarbonylContact O-C 3.59Å; E471-R482 VanDerWaalsContact O-CA 3.28Å; E471-R482 WeakPolarHBondContact O-CA 3.3Å; E471-R482 IonicContact OE2-CZ 2.7Å; E471-R482 IonicContact OE2-NH1 3.59Å; E471-R482 PolarHBondContact OE2-NH1 3.08Å; E471-E483 VanDerWaalsContact CA-O 3.26Å; E471-E483 WeakPolarHBondContact CA-O 3.41Å; E471-E483 VanDerWaalsContact CB-O 3.31Å; E471-E483 WeakPolarHBondContact CB-O 3.4Å; E471-E483 WeakPolarHBondContact CG-O 3.49Å; E471-E483 PolarHBondContact O-N 2.86Å; E471-K484 WeakPolarHBondContact OE1-CA 3.49Å; E471-L485 HydrophobicContact CG-CD2 4.39Å; E471-L485 HydrophobicContact CG-CG 3.97Å; E471-L485 PolarHBondContact OE1-N 3.26Å
472	T	98.6	Very high	98.1	Very high	42 Å²	42	54.8 Å²	54.8	26%	0.258	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-49.6	177.3	-54.5	0	0	0	0	110.1	D468 R474 G475 D476	D468-T472 WeakPolarHBondContact O-CB 3.48Å; D468-T472 PolarHBondContact O-N 3.19Å; D468-T472 PolarHBondContact O-OG1 3.26Å; T472-R474 VanDerWaalsContact C-N 3.32Å; T472-R474 PolarHBondContact O-N 3.03Å; T472-G475 CarbonylContact O-C 3.53Å; T472-G475 WeakPolarHBondContact O-CA 3.43Å; T472-G475 PolarHBondContact O-N 3.19Å; T472-D476 PolarHBondContact O-N 3.11Å
473	R	98.5	Very high	98.1	Very high	170 Å²	170	52.5 Å²	52.5	64%	0.642	29%	0.291	S	S	*	.	H	α-helix	trans	-58.9	-37.6	176.9	-174.7	-178.6	70	179.1	2.7	113.5	S469 L470 A477	S469-R473 VanDerWaalsContact O-CB 3.3Å; S469-R473 WeakPolarHBondContact O-CB 3.45Å; S469-R473 PolarHBondContact O-N 3.22Å; L470-R473 PolarHBondContact O-N 3.4Å; R473-A477 PolarHBondContact O-N 3.28Å
474	R	98.3	Very high	98.1	Very high	99 Å²	99	51.6 Å²	51.6	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-67.9	-37.6	173.3	-74.6	-176.6	177.4	178.3	5.3	111.4	L470 E471 T472 C478 E483 E490	L470-R474 HydrophobicContact CD1-CG 4.29Å; L470-R474 WeakPolarHBondContact O-CG 3.45Å; L470-R474 PolarHBondContact O-N 3.22Å; E471-R474 PolarHBondContact O-N 3.27Å; T472-R474 VanDerWaalsContact C-N 3.32Å; T472-R474 PolarHBondContact O-N 3.03Å; R474-C478 PolarHBondContact O-SG 3.08Å; R474-E483 HydrophobicContact CB-CB 3.76Å; R474-E490 IonicContact CZ-OE1 3.2Å; R474-E490 IonicContact NH1-OE1 2.89Å; R474-E490 PolarHBondContact NH1-OE1 2.99Å; R474-E490 IonicContact NH1-OE2 3.53Å; R474-E490 IonicContact NH2-OE1 3.13Å; R474-E490 PolarHBondContact NH2-OE1 2.82Å
475	G	98.1	Very high	98.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-48.5	174.7	0	0	0	0	0	112.9	E471 T472 A477 C478 G479 K480	E471-G475 PolarHBondContact O-N 3.18Å; T472-G475 CarbonylContact O-C 3.53Å; T472-G475 WeakPolarHBondContact O-CA 3.43Å; T472-G475 PolarHBondContact O-N 3.19Å; G475-A477 PolarHBondContact O-N 3.07Å; G475-C478 CarbonylContact O-C 3.57Å; G475-C478 PolarHBondContact O-N 2.9Å; G475-C478 PolarHBondContact O-SG 3.48Å; G475-G479 PolarHBondContact O-N 2.75Å; G475-K480 CarbonylContact C-O 3.51Å; G475-K480 VanDerWaalsContact CA-O 3.27Å; G475-K480 WeakPolarHBondContact CA-O 3.3Å; G475-K480 PolarHBondContact O-N 3.48Å
476	D	97.8	Very high	98.1	Very high	114 Å²	114	49.9 Å²	49.9	61%	0.61	28%	0.28	S	S	*	.	H	α-helix	trans	-54.9	-41.4	179.2	-68.7	-36.6	0	0	0	111.4	T472 C478 G479 K480	T472-D476 PolarHBondContact O-N 3.11Å; D476-C478 PolarHBondContact O-N 3.09Å; D476-G479 PolarHBondContact O-N 3Å; D476-K480 PolarHBondContact N-O 2.92Å
477	A	96.8	Very high	98.1	Very high	91 Å²	91	47.1 Å²	47.1	75%	0.752	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.9	178.1	0	0	0	0	0	114.5	R473 G475	R473-A477 PolarHBondContact O-N 3.28Å; G475-A477 PolarHBondContact O-N 3.07Å
478	C	94.5	Very high	98	Very high	66 Å²	66	49.6 Å²	49.6	45%	0.446	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	11.4	176.3	59.7	0	0	0	0	114	R474 G475 D476	R474-C478 PolarHBondContact O-SG 3.08Å; G475-C478 CarbonylContact O-C 3.57Å; G475-C478 PolarHBondContact O-N 2.9Å; G475-C478 PolarHBondContact O-SG 3.48Å; D476-C478 PolarHBondContact O-N 3.09Å
479	G	96.6	Very high	98	Very high	56 Å²	56	54.9 Å²	54.9	58%	0.577	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	26.6	177.2	0	0	0	0	0	115.1	G475 D476	G475-G479 PolarHBondContact O-N 2.75Å; D476-G479 PolarHBondContact O-N 3Å
480	K	98.4	Very high	97.9	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.035	29%	0.294	C	S	.	.	S	Bend	trans	-117	154.6	-178.1	-66.1	169.1	74.5	178.2	0	110.8	K208 T210 I212 G475 D476 R482 E483	K208-K480 VanDerWaalsContact O-CG 3.22Å; K208-K480 WeakPolarHBondContact O-CG 3.5Å; T210-K480 WeakPolarHBondContact O-CE 3.49Å; I212-K480 VanDerWaalsContact O-CE 3.28Å; I212-K480 WeakPolarHBondContact O-CE 3.27Å; I212-K480 PolarHBondContact O-NZ 3.33Å; G475-K480 CarbonylContact C-O 3.51Å; G475-K480 VanDerWaalsContact CA-O 3.27Å; G475-K480 WeakPolarHBondContact CA-O 3.3Å; G475-K480 PolarHBondContact O-N 3.48Å; D476-K480 PolarHBondContact N-O 2.92Å; K480-R482 PolarHBondContact O-N 3.42Å; K480-R482 VanDerWaalsContact O-N 3.16Å; K480-E483 WeakPolarHBondContact CE-OE2 3.39Å; K480-E483 IonicContact NZ-OE2 3.55Å; K480-E483 PolarHBondContact NZ-OE2 2.9Å
481	P	98.1	Very high	97.9	Very high	69 Å²	69	52.8 Å²	52.8	45%	0.448	29%	0.289	S	S	.	.	S	Bend	trans	-61.7	-23.3	175.6	-22.4	33.5	0	0	0	114	K209	K209-P481 WeakPolarHBondContact O-CD 3.28Å
482	R	98.4	Very high	97.9	Very high	44 Å²	44	53.8 Å²	53.8	17%	0.166	29%	0.294	C	S	.	.			trans	-171.7	157.9	171.9	56.9	-179.4	62.3	-138.3	-2	110.2	D211 D468 E471 K480 K484	D211-R482 HydrophobicContact CB-CG 3.69Å; D468-R482 IonicContact OD1-CZ 3.71Å; D468-R482 IonicContact OD1-NH1 2.72Å; D468-R482 PolarHBondContact OD1-NH1 3.44Å; D468-R482 IonicContact OD1-NH2 3.51Å; D468-R482 PolarHBondContact OD1-NH2 2.65Å; D468-R482 IonicContact OD2-NH2 2.75Å; E471-R482 HydrophobicContact CB-CB 4.07Å; E471-R482 CarbonylContact O-C 3.59Å; E471-R482 VanDerWaalsContact O-CA 3.28Å; E471-R482 WeakPolarHBondContact O-CA 3.3Å; E471-R482 IonicContact OE2-CZ 2.7Å; E471-R482 IonicContact OE2-NH1 3.59Å; E471-R482 PolarHBondContact OE2-NH1 3.08Å; K480-R482 PolarHBondContact O-N 3.42Å; K480-R482 VanDerWaalsContact O-N 3.16Å; R482-K484 HydrophobicContact CG-CG 4.41Å
483	E	98.6	Very high	97.9	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.112	32%	0.317	C	S	.	.			trans	-112.5	122.7	158.6	-173.1	60.3	-128.2	0	0	108.6	Q214 E471 R474 K480	Q214-E483 PolarHBondContact N-OE1 3.24Å; E471-E483 VanDerWaalsContact CA-O 3.26Å; E471-E483 WeakPolarHBondContact CA-O 3.41Å; E471-E483 VanDerWaalsContact CB-O 3.31Å; E471-E483 WeakPolarHBondContact CB-O 3.4Å; E471-E483 WeakPolarHBondContact CG-O 3.49Å; E471-E483 PolarHBondContact O-N 2.86Å; R474-E483 HydrophobicContact CB-CB 3.76Å; K480-E483 WeakPolarHBondContact CE-OE2 3.39Å; K480-E483 IonicContact NZ-OE2 3.55Å; K480-E483 PolarHBondContact NZ-OE2 2.9Å
484	K	98.6	Very high	97.9	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.022	29%	0.294	C	S	.	.			trans	-79.1	142.3	-169.5	-66.9	170.2	-176.8	148.8	0	111.6	N167 D211 E471 R482 L486	N167-K484 WeakPolarHBondContact O-CD 3.28Å; N167-K484 WeakPolarHBondContact O-CE 3.22Å; N167-K484 PolarHBondContact O-NZ 2.78Å; D211-K484 VanDerWaalsContact CG-NZ 3.31Å; D211-K484 WeakPolarHBondContact O-CE 3.21Å; D211-K484 PolarHBondContact O-NZ 2.86Å; D211-K484 IonicContact OD1-NZ 3.65Å; D211-K484 WeakPolarHBondContact OD2-CE 3.28Å; D211-K484 IonicContact OD2-NZ 2.75Å; D211-K484 PolarHBondContact OD2-NZ 2.89Å; E471-K484 WeakPolarHBondContact OE1-CA 3.49Å; R482-K484 HydrophobicContact CG-CG 4.41Å; K484-L486 HydrophobicContact CB-CD2 4.25Å; K484-L486 WeakPolarHBondContact O-CD2 3.37Å; K484-L486 PolarHBondContact O-N 2.76Å
485	L	98.5	Very high	97.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.277	C	S	.	.			trans	-69.1	132.2	164.8	-51.4	-170.5	0	0	0	108.2	I467 L470 E471 E490 M491 V494	I467-L485 HydrophobicContact CG2-CD1 3.77Å; I467-L485 HydrophobicContact CG2-CG 4.21Å; L470-L485 HydrophobicContact CD2-CD1 4.28Å; L470-L485 HydrophobicContact CD2-CD2 4Å; L470-L485 HydrophobicContact CG-CD2 4.46Å; E471-L485 HydrophobicContact CG-CD2 4.39Å; E471-L485 HydrophobicContact CG-CG 3.97Å; E471-L485 PolarHBondContact OE1-N 3.26Å; L485-E490 HydrophobicContact CD1-CG 4.26Å; L485-E490 HydrophobicContact CD2-CG 4.38Å; L485-M491 HydrophobicContact CB-CE 4.21Å; L485-M491 HydrophobicContact CB-CG 3.84Å; L485-M491 HydrophobicContact CD1-CG 4.07Å; L485-M491 WeakPolarHBondContact O-CE 3.4Å; L485-V494 HydrophobicContact CD1-CB 4.29Å; L485-V494 HydrophobicContact CD1-CG2 4.04Å
486	L	98.2	Very high	97.6	Very high	40 Å²	40	54.2 Å²	54.2	21%	0.209	30%	0.299	C	S	.	.			trans	-102.2	-4.4	-172.8	-53.1	-174.8	0	0	0	113.3	P170 R173 T213 P215 K484	P170-L486 WeakPolarHBondContact CA-O 3.45Å; R173-L486 HydrophobicContact CB-CB 4.29Å; R173-L486 WeakPolarHBondContact CD-O 3.4Å; T213-L486 HydrophobicContact CG2-CD2 3.51Å; P215-L486 HydrophobicContact CG-CD1 3.97Å; K484-L486 HydrophobicContact CB-CD2 4.25Å; K484-L486 WeakPolarHBondContact O-CD2 3.37Å; K484-L486 PolarHBondContact O-N 2.76Å
487	S	98	Very high	97.1	Very high	17 Å²	17	54 Å²	54	12%	0.119	31%	0.313	C	S	.	.			trans	-126.8	141.1	-179.6	75.7	0	0	0	0	112.1	E489 E490 M491	S487-E489 PolarHBondContact O-N 3.47Å; S487-E490 PolarHBondContact O-N 3.28Å; S487-E490 WeakPolarHBondContact OG-CB 3.35Å; S487-E490 PolarHBondContact OG-N 3.04Å; S487-M491 VanDerWaalsContact O-CG 3.23Å; S487-M491 WeakPolarHBondContact O-CG 3.5Å; S487-M491 PolarHBondContact O-N 3.15Å
488	V	98	Very high	97.1	Very high	51 Å²	51	52.1 Å²	52.1	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-35.4	172.6	171.4	0	0	0	0	110.8	L76 P77 P170 M491 L492	L76-V488 HydrophobicContact CD2-CG2 4.39Å; P77-V488 HydrophobicContact CG-CG1 3.85Å; P170-V488 HydrophobicContact CB-CG2 4.06Å; P170-V488 HydrophobicContact CG-CG2 4.22Å; V488-M491 PolarHBondContact O-N 2.99Å; V488-L492 HydrophobicContact CG1-CD1 3.8Å; V488-L492 HydrophobicContact CG1-CG 4.18Å; V488-L492 WeakPolarHBondContact O-CB 3.12Å; V488-L492 WeakPolarHBondContact O-CG 3.22Å; V488-L492 PolarHBondContact O-N 3.21Å
489	E	97.9	Very high	97.3	Very high	157 Å²	157	51.4 Å²	51.4	73%	0.734	28%	0.283	S	S	*	.	H	α-helix	trans	-61.3	-49.2	177	-172.6	-174.6	167.5	0	0	112.5	S487 L492 K493	S487-E489 PolarHBondContact O-N 3.47Å; E489-L492 PolarHBondContact O-N 2.96Å; E489-K493 WeakPolarHBondContact O-CB 3.4Å; E489-K493 PolarHBondContact O-N 3.39Å
490	E	97.8	Very high	97.3	Very high	55 Å²	55	51.1 Å²	51.1	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-41.8	177.2	-169.8	-174.3	-166.2	0	0	111.3	R474 L485 S487 L492 K493 V494	R474-E490 IonicContact CZ-OE1 3.2Å; R474-E490 IonicContact NH1-OE1 2.89Å; R474-E490 PolarHBondContact NH1-OE1 2.99Å; R474-E490 IonicContact NH1-OE2 3.53Å; R474-E490 IonicContact NH2-OE1 3.13Å; R474-E490 PolarHBondContact NH2-OE1 2.82Å; L485-E490 HydrophobicContact CD1-CG 4.26Å; L485-E490 HydrophobicContact CD2-CG 4.38Å; S487-E490 PolarHBondContact O-N 3.28Å; S487-E490 WeakPolarHBondContact OG-CB 3.35Å; S487-E490 PolarHBondContact OG-N 3.04Å; E490-L492 VanDerWaalsContact C-N 3.34Å; E490-L492 PolarHBondContact O-N 2.86Å; E490-K493 PolarHBondContact O-N 3.41Å; E490-V494 VanDerWaalsContact O-CG2 3.26Å; E490-V494 WeakPolarHBondContact O-CG2 3.49Å; E490-V494 PolarHBondContact O-N 3.19Å
491	M	98.6	Very high	97.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.5	-48	172.4	-70.1	169.3	-170.2	0	0	111.6	P77 V78 P170 I467 L485 S487 V488 V494 A495	P77-M491 HydrophobicContact CB-CB 3.87Å; P77-M491 HydrophobicContact CB-SD 4.19Å; P77-M491 HydrophobicContact CG-CB 3.96Å; P77-M491 HydrophobicContact CG-SD 4.08Å; V78-M491 HydrophobicContact CG1-CE 4.27Å; V78-M491 HydrophobicContact CG1-CG 4.21Å; V78-M491 HydrophobicContact CG1-SD 3.69Å; P170-M491 HydrophobicContact CG-CE 3.74Å; P170-M491 HydrophobicContact CG-SD 4.42Å; I467-M491 HydrophobicContact CD1-CB 3.87Å; I467-M491 HydrophobicContact CD1-CG 4.36Å; I467-M491 WeakPolarHBondContact CD1-O 3.28Å; L485-M491 HydrophobicContact CB-CE 4.21Å; L485-M491 HydrophobicContact CB-CG 3.84Å; L485-M491 HydrophobicContact CD1-CG 4.07Å; L485-M491 WeakPolarHBondContact O-CE 3.4Å; S487-M491 VanDerWaalsContact O-CG 3.23Å; S487-M491 WeakPolarHBondContact O-CG 3.5Å; S487-M491 PolarHBondContact O-N 3.15Å; V488-M491 PolarHBondContact O-N 2.99Å; M491-V494 PolarHBondContact O-N 3.32Å; M491-A495 VanDerWaalsContact O-CB 3.31Å; M491-A495 WeakPolarHBondContact O-CB 3.26Å; M491-A495 PolarHBondContact O-N 3.47Å
492	L	98.4	Very high	97.2	Very high	22 Å²	22	52.7 Å²	52.7	12%	0.115	27%	0.269	C	S	.	.	H	α-helix	trans	-67	-36.3	179.1	-71.8	174.8	0	0	0	112.3	P77 N115 V459 V488 E489 E490 V494 R496	P77-L492 HydrophobicContact CB-CD2 4.49Å; P77-L492 HydrophobicContact CG-CD2 4.12Å; P77-L492 HydrophobicContact CG-CG 4.17Å; N115-L492 HydrophobicContact CB-CD2 4.12Å; V459-L492 HydrophobicContact CG2-CD2 3.56Å; V488-L492 HydrophobicContact CG1-CD1 3.8Å; V488-L492 HydrophobicContact CG1-CG 4.18Å; V488-L492 WeakPolarHBondContact O-CB 3.12Å; V488-L492 WeakPolarHBondContact O-CG 3.22Å; V488-L492 PolarHBondContact O-N 3.21Å; E489-L492 PolarHBondContact O-N 2.96Å; E490-L492 VanDerWaalsContact C-N 3.34Å; E490-L492 PolarHBondContact O-N 2.86Å; L492-V494 VanDerWaalsContact C-N 3.3Å; L492-V494 PolarHBondContact O-N 3.44Å; L492-R496 VanDerWaalsContact O-CB 3.29Å; L492-R496 WeakPolarHBondContact O-CB 3.46Å; L492-R496 VanDerWaalsContact O-CD 3.23Å; L492-R496 WeakPolarHBondContact O-CD 3.41Å; L492-R496 WeakPolarHBondContact O-CG 3.48Å; L492-R496 PolarHBondContact O-N 3.05Å; L492-R496 VanDerWaalsContact O-N 3.12Å
493	K	98.3	Very high	97.1	Very high	166 Å²	166	53.3 Å²	53.3	72%	0.722	28%	0.276	S	S	*	.	H	α-helix	trans	-61.3	-40.1	173.5	-174.9	177.5	-179.2	177	0	111.6	E489 E490 A497	E489-K493 WeakPolarHBondContact O-CB 3.4Å; E489-K493 PolarHBondContact O-N 3.39Å; E490-K493 PolarHBondContact O-N 3.41Å; K493-A497 PolarHBondContact O-N 3.44Å
494	V	98.3	Very high	97	Very high	26 Å²	26	55.4 Å²	55.4	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-77.9	-40.3	-178.6	174.7	0	0	0	0	112	K466 I467 L470 L485 E490 M491 L492 R496 A497	K466-V494 HydrophobicContact CB-CG1 4.4Å; I467-V494 HydrophobicContact CG1-CB 4.26Å; I467-V494 HydrophobicContact CG1-CG1 4.07Å; L470-V494 HydrophobicContact CB-CG1 4.16Å; L470-V494 HydrophobicContact CD2-CB 4.23Å; L470-V494 HydrophobicContact CD2-CG1 3.79Å; L470-V494 HydrophobicContact CD2-CG2 3.39Å; L485-V494 HydrophobicContact CD1-CB 4.29Å; L485-V494 HydrophobicContact CD1-CG2 4.04Å; E490-V494 VanDerWaalsContact O-CG2 3.26Å; E490-V494 WeakPolarHBondContact O-CG2 3.49Å; E490-V494 PolarHBondContact O-N 3.19Å; M491-V494 PolarHBondContact O-N 3.32Å; L492-V494 VanDerWaalsContact C-N 3.3Å; L492-V494 PolarHBondContact O-N 3.44Å; V494-R496 PolarHBondContact O-N 2.95Å; V494-A497 PolarHBondContact O-N 2.82Å
495	A	97.4	Very high	96.9	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-34.4	172.7	0	0	0	0	0	112.8	V459 D463 K466 I467 M491	V459-A495 HydrophobicContact CG1-CB 4.05Å; V459-A495 HydrophobicContact CG2-CB 4.25Å; D463-A495 HydrophobicContact CB-CB 3.96Å; D463-A495 VanDerWaalsContact OD1-O 3.1Å; K466-A495 PolarHBondContact NZ-O 3.3Å; I467-A495 HydrophobicContact CD1-CB 4.13Å; I467-A495 HydrophobicContact CG1-CB 4.42Å; M491-A495 VanDerWaalsContact O-CB 3.31Å; M491-A495 WeakPolarHBondContact O-CB 3.26Å; M491-A495 PolarHBondContact O-N 3.47Å
496	R	93.5	Very high	96.8	Very high	125 Å²	125	64.2 Å²	64.2	47%	0.472	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.4	-177	-66.7	168.4	-172.3	-178.6	1	114.6	L492 V494	L492-R496 VanDerWaalsContact O-CB 3.29Å; L492-R496 WeakPolarHBondContact O-CB 3.46Å; L492-R496 VanDerWaalsContact O-CD 3.23Å; L492-R496 WeakPolarHBondContact O-CD 3.41Å; L492-R496 WeakPolarHBondContact O-CG 3.48Å; L492-R496 PolarHBondContact O-N 3.05Å; L492-R496 VanDerWaalsContact O-N 3.12Å; V494-R496 PolarHBondContact O-N 2.95Å
497	A	87.1	Confident	96.6	Very high	109 Å²	109	66.4 Å²	66.4	90%	0.901	35%	0.346	S	S	*	.			trans	-73.8	0	170.8	0	0	0	0	0	111.4	K466 K493 V494	K466-A497 VanDerWaalsContact CD-OXT 3.3Å; K466-A497 WeakPolarHBondContact CD-OXT 3.41Å; K466-A497 VanDerWaalsContact CE-OXT 3.29Å; K466-A497 WeakPolarHBondContact CE-OXT 3.4Å; K466-A497 PolarHBondContact NZ-OXT 2.98Å; K493-A497 PolarHBondContact O-N 3.44Å; V494-A497 PolarHBondContact O-N 2.82Å

Retrieved 497 of 497 residues in 530.6 ms (Link to these results)

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