A0A087YHT1_POEFO Loading...

Collagen beta(1-O)galactosyltransferase 2b

AlphaFold DB , UniProt , Accession A0A087YHT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 615 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	32.1	Very low	36.1	Very low	249 Å²	249	139.7 Å²	139.7	100%	1.227	88%	0.882	S	S	*	*				0	123.6	0	-86.8	176.7	-177.9	0	0	108.6
2	R	33.6	Very low	36.6	Very low	258 Å²	258	142.1 Å²	142.1	97%	0.974	88%	0.882	S	S	*	*			trans	38.3	123.6	165.2	-71.2	-176.6	173.7	176.1	-2	120.8
3	A	31.2	Very low	36.9	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	88%	0.878	S	S	*	*			trans	-94.3	136.6	-176	0	0	0	0	0	113.1
4	V	34.5	Very low	37.5	Very low	148 Å²	148	143.4 Å²	143.4	90%	0.897	87%	0.865	S	S	*	*				38.9	134.9	119.1	-166.9	0	0	0	0	120
5	G	32.6	Very low	37.9	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	86%	0.855	S	S	*	*			trans	-176.2	96.7	152.6	0	0	0	0	0	113.8
6	A	35.7	Very low	38.2	Very low	103 Å²	103	141.4 Å²	141.4	85%	0.851	85%	0.846	S	S	*	*			trans	-77.3	148.2	-167	0	0	0	0	0	115.9
7	A	32.7	Very low	38.4	Very low	107 Å²	107	137.1 Å²	137.1	88%	0.884	83%	0.83	S	S	*	*			trans	-96.8	149.8	169.3	0	0	0	0	0	111
8	G	37.3	Very low	38.7	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	82%	0.818	S	S	*	*			trans	124.8	66.5	153.5	0	0	0	0	0	116.8
9	V	41.3	Very low	38.8	Very low	150 Å²	150	134.6 Å²	134.6	91%	0.909	82%	0.817	S	S	*	*			trans	-151.6	82	147.7	-169.4	0	0	0	0	108.1
10	A	40.9	Very low	39.1	Very low	98 Å²	98	133.7 Å²	133.7	81%	0.81	81%	0.811	S	S	*	*			trans	-146.1	58.2	-178.7	0	0	0	0	0	111.8
11	E	45.1	Very low	39.1	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	81%	0.807	S	S	*	*	S	Bend	trans	-151.7	16.7	171.5	-122.4	169.3	-159.6	0	0	115.9
12	L	42	Very low	39.5	Very low	168 Å²	168	123.2 Å²	123.2	88%	0.88	79%	0.786	S	S	*	*	S	Bend	trans	-130.5	16.9	177.6	-115.6	101.4	0	0	0	116
13	W	40.7	Very low	40.1	Very low	218 Å²	218	115.3 Å²	115.3	83%	0.826	78%	0.776	S	S	*	*	S	Bend	trans	-109.5	-1.5	173.5	-83.9	92	0	0	0	114.3
14	A	45.1	Very low	40.9	Very low	84 Å²	84	115.6 Å²	115.6	69%	0.694	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-14.1	-175.6	0	0	0	0	0	114.4
15	V	44.5	Very low	41.4	Very low	120 Å²	120	113.2 Å²	113.2	73%	0.727	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-17.1	-174.9	-177.7	0	0	0	0	113.4
16	L	42.1	Very low	42	Very low	135 Å²	135	118.1 Å²	118.1	71%	0.707	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-16.3	174.8	-113.4	108.2	0	0	0	114.5
17	A	41.7	Very low	42.6	Very low	69 Å²	69	120.1 Å²	120.1	57%	0.57	77%	0.766	S	S	*	*	S	Bend	trans	-81.8	-19.3	175.4	0	0	0	0	0	113.4
18	A	43.9	Very low	43.4	Very low	75 Å²	75	119.9 Å²	119.9	62%	0.62	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-9	-178.9	0	0	0	0	0	114.2
19	L	40.3	Very low	44.2	Very low	152 Å²	152	121.7 Å²	121.7	80%	0.796	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-0.6	177.2	-89.2	157.6	0	0	0	114.2
20	V	44.2	Very low	44.7	Very low	115 Å²	115	121.9 Å²	121.9	70%	0.697	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-15.6	168.1	-176.1	0	0	0	0	111.6	G22	V20-G22 PolarHBondContact O-N 2.83Å
21	A	39.6	Very low	45.6	Very low	89 Å²	89	123.2 Å²	123.2	74%	0.736	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	10.7	175.7	0	0	0	0	0	114.5
22	G	40.8	Very low	46.4	Very low	75 Å²	75	122.9 Å²	122.9	77%	0.773	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	2.5	177.3	0	0	0	0	0	114.8	V20	V20-G22 PolarHBondContact O-N 2.83Å
23	A	46.3	Very low	47.8	Very low	92 Å²	92	123.1 Å²	123.1	76%	0.76	74%	0.738	S	S	*	*	S	Bend	trans	-145	48.8	-174.7	0	0	0	0	0	112.7
24	A	48.3	Very low	49.4	Very low	97 Å²	97	121.3 Å²	121.3	80%	0.802	74%	0.738	S	S	*	*			trans	-168.5	66	166.4	0	0	0	0	0	111.1
25	S	45.8	Very low	51.1	Low	97 Å²	97	124 Å²	124	68%	0.678	75%	0.745	S	S	*	*			trans	-158.5	51.7	158.2	-160.4	0	0	0	0	111	L27	S25-L27 PolarHBondContact O-N 3.4Å
26	E	45	Very low	53	Low	180 Å²	180	126.7 Å²	126.7	84%	0.841	75%	0.748	S	S	*	*			trans	-77.2	92.8	133.5	-78.4	-172.9	168.5	0	0	104.5	V28	E26-V28 PolarHBondContact O-N 3.44Å
27	L	48.3	Very low	55.1	Low	145 Å²	145	126.2 Å²	126.2	76%	0.759	75%	0.752	S	S	*	*			trans	-57.2	85.9	154.2	-103.3	138.6	0	0	0	105.4	S25 T29	S25-L27 PolarHBondContact O-N 3.4Å; L27-T29 PolarHBondContact O-N 3.31Å
28	V	49.6	Very low	57.3	Low	103 Å²	103	131.4 Å²	131.4	62%	0.624	77%	0.765	S	S	*	*			trans	-54.8	93.3	154	177.9	0	0	0	0	103.1	E26 L30	E26-V28 PolarHBondContact O-N 3.44Å; V28-L30 PolarHBondContact O-N 3.15Å
29	T	52.6	Low	59.5	Low	110 Å²	110	132.5 Å²	132.5	68%	0.675	77%	0.768	S	S	*	*			trans	-54.4	102.3	153	30	0	0	0	0	102.4	L27 V31	L27-T29 PolarHBondContact O-N 3.31Å; T29-V31 PolarHBondContact O-N 2.93Å
30	L	52.7	Low	61.9	Low	155 Å²	155	130.9 Å²	130.9	81%	0.812	77%	0.767	S	S	*	*			trans	-57.7	90.7	163.5	-86.9	157.1	0	0	0	103.4	V28 Q32	V28-L30 PolarHBondContact O-N 3.15Å; L30-Q32 PolarHBondContact O-N 3.4Å
31	V	58.7	Low	64.2	Low	125 Å²	125	132.1 Å²	132.1	76%	0.758	77%	0.774	S	S	*	*			trans	-62.9	88.9	161.8	178.6	0	0	0	0	102.1	T29 E33	T29-V31 PolarHBondContact O-N 2.93Å; V31-E33 VanDerWaalsContact C-N 3.27Å; V31-E33 PolarHBondContact O-N 2.85Å
32	Q	63.4	Low	66.8	Low	177 Å²	177	133.7 Å²	133.7	83%	0.827	77%	0.769	S	S	*	*			trans	-60	104.2	172.4	-133.5	176.1	-2.6	0	0	103.5	L30 Q34	L30-Q32 PolarHBondContact O-N 3.4Å; Q32-Q34 PolarHBondContact O-N 3.49Å
33	E	71.2	Confident	69.5	Low	173 Å²	173	132 Å²	132	81%	0.808	75%	0.745	S	S	*	*			trans	-53.7	116.2	-176.7	-155.1	175	-166.5	0	0	106.1	V31 V35	V31-E33 VanDerWaalsContact C-N 3.27Å; V31-E33 PolarHBondContact O-N 2.85Å; E33-V35 PolarHBondContact O-N 3.4Å
34	Q	74.6	Confident	71.9	Confident	179 Å²	179	129.2 Å²	129.2	84%	0.836	72%	0.719	S	S	*	*			trans	-58	111.9	-176.5	-94	-176	-17.7	0	0	107.2	Q32 K36	Q32-Q34 PolarHBondContact O-N 3.49Å; Q34-K36 PolarHBondContact O-N 3Å
35	V	79.9	Confident	74.3	Confident	140 Å²	140	127.7 Å²	127.7	85%	0.848	69%	0.694	S	S	*	*			trans	-58.1	107.4	177.1	179.6	0	0	0	0	106.6	E33	E33-V35 PolarHBondContact O-N 3.4Å
36	K	85	Confident	76.8	Confident	178 Å²	178	123.1 Å²	123.1	77%	0.774	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-71.4	134.1	176.5	-67	-179.9	-176.6	172.8	0	107.3	Q34 E38	Q34-K36 PolarHBondContact O-N 3Å; K36-E38 PolarHBondContact O-N 3.23Å
37	P	84.9	Confident	79.4	Confident	124 Å²	124	114.6 Å²	114.6	81%	0.805	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-60.8	137.9	172.7	26.7	-32.9	0	0	0	109.1
38	E	88.4	Confident	81.8	Confident	178 Å²	178	107.7 Å²	107.7	83%	0.832	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-59.6	147.4	174.6	-71.8	-65.7	164	0	0	110.9	K36	K36-E38 PolarHBondContact O-N 3.23Å
39	S	90.9	Very high	84.1	Confident	98 Å²	98	102.9 Å²	102.9	69%	0.685	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-67	152.8	174.3	60.7	0	0	0	0	111.3
40	P	89.4	Confident	86.3	Confident	119 Å²	119	97.6 Å²	97.6	77%	0.773	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-58.8	146	175.9	-23.3	33.6	0	0	0	113.2
41	V	93.1	Very high	88.4	Confident	141 Å²	141	91.1 Å²	91.1	86%	0.855	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-67.4	133.2	172.8	-178.6	0	0	0	0	109.3
42	L	94.6	Very high	90.2	Very high	121 Å²	121	85.3 Å²	85.3	63%	0.634	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-65.4	138.2	175	-65.7	177.3	0	0	0	110.6
43	P	96.4	Very high	91.7	Very high	41 Å²	41	78 Å²	78	27%	0.266	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-66.6	154.9	179.3	27.5	-32.6	0	0	0	110.8	Y71 P72 R75	P43-Y71 HydrophobicContact CB-CE1 4.37Å; P43-Y71 HydrophobicContact CB-CE2 4.24Å; P43-P72 HydrophobicContact CG-CG 3.67Å; P43-R75 HydrophobicContact CG-CG 4.3Å; P43-R75 PolarHBondContact O-NE 3.47Å; P43-R75 PolarHBondContact O-NH2 3Å
44	P	97.9	Very high	92.9	Very high	33 Å²	33	69.8 Å²	69.8	21%	0.214	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-51.2	155.3	179.6	-27.8	34.9	0	0	0	114.6	Y71 D152 Y153 M173	P44-Y71 WeakPolarHBondContact CD-OH 3.4Å; P44-Y71 WeakPolarHBondContact O-CE1 2.76Å; P44-Y71 PolarHBondContact O-OH 3.42Å; P44-D152 WeakPolarHBondContact CA-OD2 3.26Å; P44-D152 HydrophobicContact CB-CB 3.71Å; P44-Y153 HydrophobicContact CB-CD2 3.66Å; P44-Y153 HydrophobicContact CB-CE2 3.57Å; P44-Y153 HydrophobicContact CG-CD2 4.33Å; P44-Y153 HydrophobicContact CG-CE2 3.74Å; P44-M173 HydrophobicContact CB-SD 4.48Å; P44-M173 HydrophobicContact CG-SD 4.31Å
45	K	98.4	Very high	93.9	Very high	64 Å²	64	61.4 Å²	61.4	28%	0.278	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-79.4	130.7	170.4	-74.2	178.5	-81.7	157.4	0	109.7	R75 W150 D152 Y153	K45-R75 WeakPolarHBondContact CA-O 3.49Å; K45-W150 WeakPolarHBondContact CE-O 3.4Å; K45-W150 PolarHBondContact NZ-O 2.71Å; K45-D152 PolarHBondContact N-OD2 2.94Å; K45-D152 WeakPolarHBondContact O-CA 3.41Å; K45-D152 WeakPolarHBondContact O-CB 3.46Å; K45-D152 PolarHBondContact O-N 2.88Å; K45-Y153 PolarHBondContact O-N 2.88Å
46	V	98.7	Very high	94.6	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.8	177.7	63.4	0	0	0	0	110.8	Y71 R75 I76 A77 Y153 L155 L169 M173 L231	V46-Y71 HydrophobicContact CG1-CD1 4.12Å; V46-Y71 HydrophobicContact CG1-CE1 3.9Å; V46-R75 PolarHBondContact N-O 2.89Å; V46-I76 HydrophobicContact CG1-CB 4.23Å; V46-I76 HydrophobicContact CG1-CG1 3.57Å; V46-I76 HydrophobicContact CG1-CG2 4.4Å; V46-I76 CarbonylContact O-C 3.48Å; V46-I76 VanDerWaalsContact O-CA 3.32Å; V46-I76 WeakPolarHBondContact O-CA 3.5Å; V46-A77 PolarHBondContact O-N 3.2Å; V46-Y153 CarbonylContact C-O 3.48Å; V46-Y153 WeakPolarHBondContact CA-O 3.22Å; V46-L155 HydrophobicContact CG2-CB 4.46Å; V46-L169 HydrophobicContact CG1-CD1 4.15Å; V46-L169 HydrophobicContact CG2-CD2 4.17Å; V46-M173 HydrophobicContact CB-CE 4.16Å; V46-M173 HydrophobicContact CG2-CE 4.35Å; V46-L231 HydrophobicContact CG2-CD1 4.31Å
47	M	98.8	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.4	165.8	-176.7	169.2	-75	0	0	109.5	A77 W79 A145 A146 R149 A151 Y153 I154 L155	M47-A77 CarbonylContact C-O 3.55Å; M47-A77 VanDerWaalsContact CA-O 3.3Å; M47-A77 WeakPolarHBondContact CA-O 3.28Å; M47-A77 HydrophobicContact CB-CB 4.39Å; M47-A77 HydrophobicContact CE-CB 4.01Å; M47-A77 HydrophobicContact CG-CB 4.37Å; M47-W79 HydrophobicContact CG-CB 4.09Å; M47-W79 HydrophobicContact SD-CB 3.76Å; M47-W79 HydrophobicContact SD-CG 4.36Å; M47-A145 HydrophobicContact CE-CB 4.49Å; M47-A145 HydrophobicContact SD-CB 4.34Å; M47-A146 HydrophobicContact CB-CB 4.01Å; M47-A146 HydrophobicContact CE-CB 4.36Å; M47-A146 HydrophobicContact CG-CB 4.37Å; M47-A146 VanDerWaalsContact SD-CA 3.59Å; M47-A146 HydrophobicContact SD-CB 3.62Å; M47-R149 HydrophobicContact CE-CB 4.41Å; M47-R149 HydrophobicContact CE-CG 4.43Å; M47-A151 HydrophobicContact CB-CB 4.19Å; M47-Y153 PolarHBondContact N-O 2.9Å; M47-I154 HydrophobicContact CB-CG1 4.29Å; M47-I154 CarbonylContact O-C 3.59Å; M47-I154 VanDerWaalsContact O-CA 3.25Å; M47-I154 WeakPolarHBondContact O-CA 3.44Å; M47-L155 PolarHBondContact O-N 2.81Å
48	I	98.8	Very high	95.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120	170.8	-57	179.1	0	0	0	107.8	I50 I66 L69 I76 A77 I78 W79 L155	I48-I50 HydrophobicContact CG2-CG1 4.07Å; I48-I66 HydrophobicContact CD1-CG2 4.1Å; I48-I66 HydrophobicContact CG2-CD1 4.37Å; I48-L69 HydrophobicContact CD1-CD1 3.76Å; I48-I76 HydrophobicContact CD1-CG2 3.72Å; I48-I76 HydrophobicContact CG1-CG2 3.92Å; I48-A77 PolarHBondContact N-O 2.91Å; I48-I78 HydrophobicContact CB-CD1 4.01Å; I48-I78 HydrophobicContact CD1-CD1 4.34Å; I48-W79 PolarHBondContact O-N 3.25Å; I48-L155 WeakPolarHBondContact CA-O 3.45Å; I48-L155 HydrophobicContact CD1-CD2 4.45Å; I48-L155 HydrophobicContact CG1-CB 4.34Å; I48-L155 HydrophobicContact CG1-CD2 4.26Å; I48-L155 HydrophobicContact CG2-CD2 4.37Å
49	A	98.6	Very high	95.9	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.4	176.7	0	0	0	0	0	110.3	W79 A142 I154 L155 F156 A157	A49-W79 CarbonylContact C-O 3.4Å; A49-W79 WeakPolarHBondContact CA-O 2.96Å; A49-W79 HydrophobicContact CB-CE3 4.49Å; A49-A142 HydrophobicContact CB-CB 3.83Å; A49-I154 HydrophobicContact CB-CD1 4.26Å; A49-L155 PolarHBondContact N-O 3.4Å; A49-F156 HydrophobicContact CB-CD1 3.76Å; A49-F156 HydrophobicContact CB-CE1 3.92Å; A49-F156 HydrophobicContact CB-CG 4.46Å; A49-A157 PolarHBondContact O-N 2.91Å
50	I	98.1	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.8	-179.1	-52.3	179.9	0	0	0	108.5	I48 Y62 L63 I78 W79 A80 A81 L93 W96	I48-I50 HydrophobicContact CG2-CG1 4.07Å; I50-Y62 HydrophobicContact CD1-CE1 4.18Å; I50-Y62 HydrophobicContact CG1-CE1 4.29Å; I50-Y62 HydrophobicContact CG2-CE1 3.78Å; I50-L63 HydrophobicContact CD1-CD2 4.02Å; I50-I78 HydrophobicContact CD1-CG2 3.92Å; I50-I78 HydrophobicContact CG1-CG2 4.48Å; I50-W79 PolarHBondContact N-O 3.21Å; I50-A80 HydrophobicContact CB-CB 4.28Å; I50-A80 CarbonylContact O-C 3.59Å; I50-A80 VanDerWaalsContact O-CA 3.29Å; I50-A80 WeakPolarHBondContact O-CA 3.39Å; I50-A81 PolarHBondContact O-N 2.86Å; I50-L93 HydrophobicContact CG2-CD1 4.5Å; I50-L93 HydrophobicContact CG2-CD2 4.47Å; I50-W96 HydrophobicContact CD1-CH2 4.48Å; I50-W96 HydrophobicContact CD1-CZ3 4.25Å
51	L	97.1	Very high	96.5	Very high	19 Å²	19	25.8 Å²	25.8	10%	0.099	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.7	175.8	-66.2	174.1	0	0	0	108.1	W79 A81 L135 L138 R139 S159	L51-W79 HydrophobicContact CD2-CH2 4.21Å; L51-W79 HydrophobicContact CD2-CZ3 3.56Å; L51-W79 HydrophobicContact CG-CZ3 4.48Å; L51-A81 HydrophobicContact CD2-CB 3.93Å; L51-L135 HydrophobicContact CD1-CD1 3.73Å; L51-L138 HydrophobicContact CD2-CB 3.76Å; L51-L138 HydrophobicContact CD2-CD1 4.06Å; L51-L138 HydrophobicContact CD2-CG 4.5Å; L51-R139 HydrophobicContact CD1-CG 3.55Å; L51-S159 WeakPolarHBondContact O-CB 3.29Å; L51-S159 PolarHBondContact O-OG 3.4Å
52	A	96.5	Very high	96.7	Very high	2 Å²	2	19.1 Å²	19.1	2%	0.017	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.8	-173.6	0	0	0	0	0	112.2	A55 A81 T82 D83 T89 L93	A52-A55 HydrophobicContact CB-CB 4.17Å; A52-A81 PolarHBondContact N-O 3.5Å; A52-T82 HydrophobicContact CB-CG2 4.43Å; A52-T82 VanDerWaalsContact O-CA 3.26Å; A52-T82 WeakPolarHBondContact O-CA 3.16Å; A52-D83 PolarHBondContact O-N 3.14Å; A52-D83 VanDerWaalsContact O-N 3.14Å; A52-T89 HydrophobicContact CB-CG2 3.58Å; A52-L93 HydrophobicContact CB-CD2 3.94Å
53	R	94.9	Very high	96.8	Very high	24 Å²	24	13.4 Å²	13.4	9%	0.091	7%	0.073	C	C	.	.	S	Bend	trans	-133.3	118.4	171.9	177.1	159.7	-161.9	-147.3	-6	109.9	A55 D83 H84 N85 Y118 E121 R131	R53-A55 PolarHBondContact O-N 3.39Å; R53-D83 HydrophobicContact CB-CB 4.24Å; R53-D83 WeakPolarHBondContact CB-O 3.35Å; R53-D83 WeakPolarHBondContact CD-O 3.32Å; R53-D83 WeakPolarHBondContact CD-OD2 3.31Å; R53-D83 WeakPolarHBondContact CG-O 3.41Å; R53-D83 PolarHBondContact NE-O 2.92Å; R53-H84 PolarHBondContact NE-O 3.23Å; R53-N85 WeakPolarHBondContact CA-OD1 3.31Å; R53-Y118 VanDerWaalsContact NH1-CD2 3.31Å; R53-Y118 VanDerWaalsContact NH1-CE2 3.28Å; R53-E121 IonicContact CZ-OE1 2.71Å; R53-E121 IonicContact CZ-OE2 2.93Å; R53-E121 IonicContact NH1-OE2 3.28Å; R53-E121 PolarHBondContact NH1-OE2 3.24Å; R53-E121 IonicContact NH2-OE1 2.81Å; R53-E121 PolarHBondContact NH2-OE1 2.93Å; R53-E121 IonicContact NH2-OE2 2.71Å; R53-E121 PolarHBondContact NH2-OE2 2.9Å; R53-R131 VanDerWaalsContact NH1-CD 3.27Å; R53-R131 VanDerWaalsContact NH1-CZ 3.35Å
54	N	95.1	Very high	96.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.06	C	C	.	.	S	Bend	trans	50.5	40.3	-178.2	-59	-43.1	0	0	0	113.3	H57 N85 V86 D87 V293	N54-H57 PolarHBondContact O-CE1 3.07Å; N54-H57 PolarHBondContact O-ND1 3.39Å; N54-N85 PolarHBondContact N-OD1 3.17Å; N54-N85 WeakPolarHBondContact OD1-CA 3.21Å; N54-V86 WeakPolarHBondContact OD1-CG2 3.48Å; N54-V86 PolarHBondContact OD1-N 3.35Å; N54-D87 WeakPolarHBondContact CA-OD1 3.33Å; N54-D87 VanDerWaalsContact CA-OD2 3.22Å; N54-D87 WeakPolarHBondContact CA-OD2 3.39Å; N54-V293 HydrophobicContact CB-CG1 4.33Å; N54-V293 HydrophobicContact CB-CG2 3.89Å
55	A	95.8	Very high	96.8	Very high	2 Å²	2	10 Å²	10	2%	0.017	5%	0.05	C	C	.	.			trans	-100.9	14.5	-172.8	0	0	0	0	0	113.2	A52 R53 H57 S58 L59 D87 T89 S159	A52-A55 HydrophobicContact CB-CB 4.17Å; R53-A55 PolarHBondContact O-N 3.39Å; A55-H57 PolarHBondContact O-N 2.83Å; A55-H57 VanDerWaalsContact O-N 3.13Å; A55-S58 PolarHBondContact O-N 2.89Å; A55-S58 PolarHBondContact O-OG 3.27Å; A55-L59 HydrophobicContact CB-CG 4.18Å; A55-L59 VanDerWaalsContact O-CG 3.29Å; A55-L59 WeakPolarHBondContact O-CG 3.15Å; A55-L59 PolarHBondContact O-N 3.16Å; A55-D87 PolarHBondContact N-OD2 3.45Å; A55-T89 HydrophobicContact CB-CG2 4.19Å; A55-T89 PolarHBondContact N-OG1 2.96Å; A55-S159 WeakPolarHBondContact CB-OG 3.21Å
56	A	95.2	Very high	96.8	Very high	18 Å²	18	7 Å²	7	15%	0.149	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34	-176.3	0	0	0	0	0	112.2	P60 D87 N88 T89 M92	A56-P60 WeakPolarHBondContact O-CD 3.15Å; A56-D87 HydrophobicContact CB-CB 4.2Å; A56-D87 WeakPolarHBondContact CB-OD2 3.44Å; A56-D87 PolarHBondContact N-OD2 3.22Å; A56-N88 HydrophobicContact CB-CB 4.28Å; A56-T89 PolarHBondContact N-OG1 3.09Å; A56-M92 HydrophobicContact CB-SD 3.73Å; A56-M92 WeakPolarHBondContact O-CE 3.35Å
57	H	93.8	Very high	96.7	Very high	32 Å²	32	8 Å²	8	15%	0.148	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.8	176.7	64.7	-83.1	0	0	0	113.2	N54 A55 E296 T297 F300	N54-H57 PolarHBondContact O-CE1 3.07Å; N54-H57 PolarHBondContact O-ND1 3.39Å; A55-H57 PolarHBondContact O-N 2.83Å; A55-H57 VanDerWaalsContact O-N 3.13Å; H57-E296 IonicContact CE1-OE2 3.57Å; H57-E296 PolarHBondContact CE1-OE2 3.3Å; H57-E296 IonicContact ND1-OE2 3.53Å; H57-E296 IonicContact NE2-OE2 2.82Å; H57-T297 HydrophobicContact CB-CG2 3.96Å; H57-T297 WeakPolarHBondContact CB-OG1 3.06Å; H57-F300 AromaticContact CD2-CD1 3.84Å; H57-F300 AromaticContact CD2-CG 3.68Å
58	S	95.8	Very high	96.6	Very high	1 Å²	1	12 Å²	12	1%	0.007	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-31.5	-174.2	69.6	0	0	0	0	114.3	A55 P60 H61 Y62 S159	A55-S58 PolarHBondContact O-N 2.89Å; A55-S58 PolarHBondContact O-OG 3.27Å; S58-P60 VanDerWaalsContact C-CD 3.41Å; S58-P60 VanDerWaalsContact C-N 3.34Å; S58-H61 PolarHBondContact O-N 3.49Å; S58-H61 VanDerWaalsContact O-N 3.15Å; S58-Y62 WeakPolarHBondContact O-CB 3.35Å; S58-Y62 PolarHBondContact O-N 3.36Å; S58-S159 WeakPolarHBondContact CB-O 3.42Å; S58-S159 PolarHBondContact OG-O 2.9Å
59	L	96.8	Very high	96.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-49.5	-42.9	-175.9	-80	179.5	0	0	0	114.5	A55 H61 Y62 L63 T89 M92 L93	A55-L59 HydrophobicContact CB-CG 4.18Å; A55-L59 VanDerWaalsContact O-CG 3.29Å; A55-L59 WeakPolarHBondContact O-CG 3.15Å; A55-L59 PolarHBondContact O-N 3.16Å; L59-H61 PolarHBondContact O-N 2.96Å; L59-Y62 HydrophobicContact CD2-CD1 4.39Å; L59-L63 HydrophobicContact CB-CD1 4.23Å; L59-L63 HydrophobicContact CD2-CD1 3.92Å; L59-L63 HydrophobicContact CD2-CG 4.2Å; L59-L63 VanDerWaalsContact O-CB 3.23Å; L59-L63 WeakPolarHBondContact O-CB 3.34Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 2.89Å; L59-T89 HydrophobicContact CD1-CG2 4.02Å; L59-M92 HydrophobicContact CB-CE 4.42Å; L59-M92 HydrophobicContact CD1-CB 3.98Å; L59-L93 HydrophobicContact CD1-CB 4.02Å; L59-L93 HydrophobicContact CD2-CD1 4.35Å
60	P	95.9	Very high	96.5	Very high	10 Å²	10	18 Å²	18	7%	0.065	9%	0.085	C	C	.	.	H	α-helix	trans	-57.3	-48.9	-180	-26	35.2	0	0	0	112.5	A56 S58 G64 M92 P315 S316 A321	A56-P60 WeakPolarHBondContact O-CD 3.15Å; S58-P60 VanDerWaalsContact C-CD 3.41Å; S58-P60 VanDerWaalsContact C-N 3.34Å; P60-G64 PolarHBondContact O-N 3.13Å; P60-G64 VanDerWaalsContact O-N 3.17Å; P60-M92 HydrophobicContact CG-CE 3.54Å; P60-P315 HydrophobicContact CB-CB 4.01Å; P60-P315 CarbonylContact O-C 3.54Å; P60-P315 WeakPolarHBondContact O-CA 3.33Å; P60-S316 PolarHBondContact O-N 3.09Å; P60-A321 HydrophobicContact CB-CB 4.48Å; P60-A321 HydrophobicContact CG-CB 4.08Å
61	H	95.6	Very high	96.5	Very high	29 Å²	29	18.9 Å²	18.9	13%	0.134	9%	0.088	C	C	.	.	H	α-helix	trans	-77.5	-40.3	-177.9	-66.8	88.2	0	0	0	111.8	S58 L59 G64 C65 L162 F300 I304 M313	S58-H61 PolarHBondContact O-N 3.49Å; S58-H61 VanDerWaalsContact O-N 3.15Å; L59-H61 PolarHBondContact O-N 2.96Å; H61-G64 PolarHBondContact O-N 2.59Å; H61-C65 PolarHBondContact O-N 3.28Å; H61-C65 PolarHBondContact O-SG 2.93Å; H61-C65 VanDerWaalsContact O-SG 3.41Å; H61-L162 HydrophobicContact CB-CD2 3.81Å; H61-F300 HydrophobicContact CB-CE1 4.43Å; H61-F300 HydrophobicContact CB-CZ 4.49Å; H61-I304 WeakPolarHBondContact ND1-CD1 3.26Å; H61-M313 HydrophobicContact CB-CE 4.28Å
62	Y	97.6	Very high	96.5	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-58	-51.8	176.3	169.9	-95.7	0	0	0	111.7	I50 S58 L59 G64 C65 I66 A157 D158 S159 N161	I50-Y62 HydrophobicContact CD1-CE1 4.18Å; I50-Y62 HydrophobicContact CG1-CE1 4.29Å; I50-Y62 HydrophobicContact CG2-CE1 3.78Å; S58-Y62 WeakPolarHBondContact O-CB 3.35Å; S58-Y62 PolarHBondContact O-N 3.36Å; L59-Y62 HydrophobicContact CD2-CD1 4.39Å; Y62-G64 VanDerWaalsContact C-N 3.32Å; Y62-G64 PolarHBondContact O-N 3.24Å; Y62-C65 WeakPolarHBondContact O-CB 3.37Å; Y62-C65 PolarHBondContact O-N 3.02Å; Y62-C65 VanDerWaalsContact O-N 3.08Å; Y62-I66 HydrophobicContact CD1-CG1 4.48Å; Y62-I66 HydrophobicContact CE1-CG1 4.02Å; Y62-I66 HydrophobicContact CE2-CD1 4.5Å; Y62-I66 PolarHBondContact O-N 2.89Å; Y62-I66 VanDerWaalsContact O-N 3.14Å; Y62-A157 HydrophobicContact CE2-CB 4.19Å; Y62-A157 PolarHBondContact OH-O 2.71Å; Y62-D158 WeakPolarHBondContact CE2-O 3.48Å; Y62-S159 WeakPolarHBondContact CB-O 3.47Å; Y62-N161 VanDerWaalsContact CD2-O 3.29Å; Y62-N161 WeakPolarHBondContact CD2-O 3.37Å
63	L	97.9	Very high	96.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.1	-32.4	-179.3	-66.2	171.9	0	0	0	111.8	I50 L59 C65 I66 E67 L93 W96 I319	I50-L63 HydrophobicContact CD1-CD2 4.02Å; L59-L63 HydrophobicContact CB-CD1 4.23Å; L59-L63 HydrophobicContact CD2-CD1 3.92Å; L59-L63 HydrophobicContact CD2-CG 4.2Å; L59-L63 VanDerWaalsContact O-CB 3.23Å; L59-L63 WeakPolarHBondContact O-CB 3.34Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 2.89Å; L63-C65 VanDerWaalsContact C-N 3.29Å; L63-C65 PolarHBondContact O-N 3.1Å; L63-I66 PolarHBondContact O-N 3.11Å; L63-E67 WeakPolarHBondContact O-CG 3.47Å; L63-E67 PolarHBondContact O-N 3.28Å; L63-L93 HydrophobicContact CD1-CD1 4.04Å; L63-L93 HydrophobicContact CD2-CD1 4.31Å; L63-W96 HydrophobicContact CB-CD2 4.47Å; L63-W96 HydrophobicContact CB-CG 4.41Å; L63-W96 HydrophobicContact CD1-CB 3.86Å; L63-W96 HydrophobicContact CD1-CD2 3.96Å; L63-W96 HydrophobicContact CD1-CE3 4.46Å; L63-W96 HydrophobicContact CD1-CG 3.65Å; L63-W96 HydrophobicContact CD2-CD2 3.9Å; L63-W96 HydrophobicContact CD2-CE3 4Å; L63-W96 HydrophobicContact CD2-CG 4.44Å; L63-W96 HydrophobicContact CD2-CH2 4.23Å; L63-W96 HydrophobicContact CD2-CZ2 4.13Å; L63-W96 HydrophobicContact CD2-CZ3 4.16Å; L63-W96 HydrophobicContact CG-CD2 4.32Å; L63-W96 HydrophobicContact CG-CG 4.37Å; L63-I319 HydrophobicContact CB-CD1 4.34Å; L63-I319 HydrophobicContact CD1-CD1 3.26Å; L63-I319 HydrophobicContact CG-CD1 4.36Å
64	G	96.7	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.9	-40.8	168.5	0	0	0	0	0	112.5	P60 H61 Y62 E67 R68	P60-G64 PolarHBondContact O-N 3.13Å; P60-G64 VanDerWaalsContact O-N 3.17Å; H61-G64 PolarHBondContact O-N 2.59Å; Y62-G64 VanDerWaalsContact C-N 3.32Å; Y62-G64 PolarHBondContact O-N 3.24Å; G64-E67 PolarHBondContact O-N 3.39Å; G64-R68 VanDerWaalsContact C-CZ 3.41Å; G64-R68 WeakPolarHBondContact O-CG 3.26Å; G64-R68 PolarHBondContact O-N 3.13Å; G64-R68 VanDerWaalsContact O-N 3.09Å; G64-R68 PolarHBondContact O-NH1 3.45Å; G64-R68 VanDerWaalsContact O-NH1 3.17Å
65	C	97.3	Very high	96.8	Very high	2 Å²	2	29 Å²	29	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-64.7	-43.3	173.8	-67.5	0	0	0	0	112.2	H61 Y62 L63 E67 R68 L69 L163	H61-C65 PolarHBondContact O-N 3.28Å; H61-C65 PolarHBondContact O-SG 2.93Å; H61-C65 VanDerWaalsContact O-SG 3.41Å; Y62-C65 WeakPolarHBondContact O-CB 3.37Å; Y62-C65 PolarHBondContact O-N 3.02Å; Y62-C65 VanDerWaalsContact O-N 3.08Å; L63-C65 VanDerWaalsContact C-N 3.29Å; L63-C65 PolarHBondContact O-N 3.1Å; C65-E67 VanDerWaalsContact C-N 3.31Å; C65-E67 PolarHBondContact O-N 2.5Å; C65-R68 PolarHBondContact O-N 3.34Å; C65-R68 VanDerWaalsContact O-N 3.14Å; C65-R68 PolarHBondContact SG-NH2 3.5Å; C65-R68 VanDerWaalsContact SG-NH2 3.37Å; C65-L69 PolarHBondContact O-N 3.18Å; C65-L163 HydrophobicContact CB-CB 4.36Å; C65-L163 WeakPolarHBondContact CB-O 3.43Å
66	I	97.9	Very high	96.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-38.3	176.9	-59.3	-56.5	0	0	0	112	I48 Y62 L63 R68 L69 K73 W96 Y104 L163	I48-I66 HydrophobicContact CD1-CG2 4.1Å; I48-I66 HydrophobicContact CG2-CD1 4.37Å; Y62-I66 HydrophobicContact CD1-CG1 4.48Å; Y62-I66 HydrophobicContact CE1-CG1 4.02Å; Y62-I66 HydrophobicContact CE2-CD1 4.5Å; Y62-I66 PolarHBondContact O-N 2.89Å; Y62-I66 VanDerWaalsContact O-N 3.14Å; L63-I66 PolarHBondContact O-N 3.11Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-L69 HydrophobicContact CD1-CD1 4.22Å; I66-K73 PolarHBondContact O-NZ 2.96Å; I66-W96 HydrophobicContact CG2-CH2 4.3Å; I66-W96 HydrophobicContact CG2-CZ2 4.34Å; I66-Y104 PolarHBondContact O-OH 2.75Å; I66-L163 HydrophobicContact CD1-CD1 4.28Å
67	E	96.9	Very high	97.1	Very high	25 Å²	25	28.6 Å²	28.6	12%	0.117	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-37.9	174.1	-75.4	167.3	-148.7	0	0	112.3	L63 G64 C65 K73 W96 S316 Q317 Y318	L63-E67 WeakPolarHBondContact O-CG 3.47Å; L63-E67 PolarHBondContact O-N 3.28Å; G64-E67 PolarHBondContact O-N 3.39Å; C65-E67 VanDerWaalsContact C-N 3.31Å; C65-E67 PolarHBondContact O-N 2.5Å; E67-K73 VanDerWaalsContact O-CE 3.26Å; E67-K73 WeakPolarHBondContact O-CE 3.49Å; E67-K73 PolarHBondContact O-NZ 3.18Å; E67-W96 HydrophobicContact CG-CZ2 4.38Å; E67-W96 PolarHBondContact OE1-NE1 2.51Å; E67-S316 WeakPolarHBondContact OE1-CB 3.47Å; E67-S316 PolarHBondContact OE1-OG 3.25Å; E67-Q317 PolarHBondContact OE2-N 3.45Å; E67-Y318 HydrophobicContact CG-CD2 4.19Å; E67-Y318 HydrophobicContact CG-CE2 4.14Å; E67-Y318 VanDerWaalsContact OE1-CD2 3.29Å; E67-Y318 WeakPolarHBondContact OE1-CD2 3.5Å
68	R	96.4	Very high	97.3	Very high	84 Å²	84	27 Å²	27	32%	0.317	13%	0.126	S	C	.	.	H	α-helix	trans	-79.9	-10.9	-178.2	-75.4	-172.9	-64	-83.2	1.9	115	G64 C65 I66 E70 P166 E314	G64-R68 VanDerWaalsContact C-CZ 3.41Å; G64-R68 WeakPolarHBondContact O-CG 3.26Å; G64-R68 PolarHBondContact O-N 3.13Å; G64-R68 VanDerWaalsContact O-N 3.09Å; G64-R68 PolarHBondContact O-NH1 3.45Å; G64-R68 VanDerWaalsContact O-NH1 3.17Å; C65-R68 PolarHBondContact O-N 3.34Å; C65-R68 VanDerWaalsContact O-N 3.14Å; C65-R68 PolarHBondContact SG-NH2 3.5Å; C65-R68 VanDerWaalsContact SG-NH2 3.37Å; I66-R68 VanDerWaalsContact C-N 3.33Å; R68-E70 PolarHBondContact O-N 3.1Å; R68-E70 VanDerWaalsContact O-N 3.12Å; R68-P166 WeakPolarHBondContact O-CB 3.25Å; R68-E314 PolarHBondContact NH1-O 3.19Å; R68-E314 PolarHBondContact NH2-O 2.89Å
69	L	97.4	Very high	97.5	Very high	4 Å²	4	27 Å²	27	2%	0.021	13%	0.126	C	C	.	.			trans	-50.8	122	176.5	-66.8	177.1	0	0	0	111	I48 C65 I66 Y71 K73 P166 V168 L169	I48-L69 HydrophobicContact CD1-CD1 3.76Å; C65-L69 PolarHBondContact O-N 3.18Å; I66-L69 HydrophobicContact CD1-CD1 4.22Å; L69-Y71 PolarHBondContact O-N 3.2Å; L69-K73 PolarHBondContact O-NZ 3.35Å; L69-P166 CarbonylContact C-O 3.59Å; L69-P166 WeakPolarHBondContact CA-O 3.26Å; L69-V168 HydrophobicContact CD2-CG1 3.59Å; L69-L169 HydrophobicContact CD1-CD1 4.04Å
70	E	97.3	Very high	97.5	Very high	124 Å²	124	27 Å²	27	58%	0.579	13%	0.126	S	C	*	.	S	Bend	trans	-75.8	66.3	177.2	-82.1	172.7	-145.6	0	0	109.8	R68 P166 R167	R68-E70 PolarHBondContact O-N 3.1Å; R68-E70 VanDerWaalsContact O-N 3.12Å; E70-P166 HydrophobicContact CB-CB 4.28Å; E70-P166 HydrophobicContact CG-CB 3.91Å; E70-P166 HydrophobicContact CG-CG 4.29Å; E70-P166 PolarHBondContact N-O 3.4Å; E70-P166 VanDerWaalsContact OE1-CG 3.28Å; E70-P166 WeakPolarHBondContact OE1-CG 3.49Å; E70-R167 HydrophobicContact CB-CG 4.42Å; E70-R167 VanDerWaalsContact OE2-CG 3.27Å; E70-R167 WeakPolarHBondContact OE2-CG 3.34Å
71	Y	98.1	Very high	97.6	Very high	17 Å²	17	26.5 Å²	26.5	7%	0.067	12%	0.123	C	C	.	.	S	Bend	trans	-145.3	141.2	178.7	-152.7	-92.5	0	0	0	109.2	P43 P44 V46 L69 K73 R75 I76 L169 M173	P43-Y71 HydrophobicContact CB-CE1 4.37Å; P43-Y71 HydrophobicContact CB-CE2 4.24Å; P44-Y71 WeakPolarHBondContact CD-OH 3.4Å; P44-Y71 WeakPolarHBondContact O-CE1 2.76Å; P44-Y71 PolarHBondContact O-OH 3.42Å; V46-Y71 HydrophobicContact CG1-CD1 4.12Å; V46-Y71 HydrophobicContact CG1-CE1 3.9Å; L69-Y71 PolarHBondContact O-N 3.2Å; Y71-K73 PolarHBondContact O-N 2.93Å; Y71-R75 HydrophobicContact CD1-CB 4.36Å; Y71-R75 HydrophobicContact CE1-CB 4Å; Y71-I76 HydrophobicContact CD1-CD1 4.11Å; Y71-I76 HydrophobicContact CD1-CG1 3.81Å; Y71-I76 HydrophobicContact CG-CD1 4.45Å; Y71-L169 HydrophobicContact CD1-CD1 4.36Å; Y71-L169 HydrophobicContact CD2-CB 3.87Å; Y71-L169 HydrophobicContact CD2-CD1 4.11Å; Y71-L169 HydrophobicContact CE2-CB 4.22Å; Y71-L169 HydrophobicContact CG-CB 4.47Å; Y71-L169 HydrophobicContact CG-CD1 3.87Å; Y71-M173 HydrophobicContact CE2-CE 4.09Å; Y71-M173 HydrophobicContact CE2-SD 3.9Å; Y71-M173 WeakPolarHBondContact OH-CE 3.26Å; Y71-M173 PolarHBondContact OH-SD 3Å; Y71-M173 VanDerWaalsContact OH-SD 3.32Å
72	P	97.8	Very high	97.7	Very high	44 Å²	44	25.2 Å²	25.2	29%	0.286	12%	0.117	S	C	.	.			trans	-60.3	123.2	-176.2	-23	33.9	0	0	0	111.3	P43 E74 R75 I76	P43-P72 HydrophobicContact CG-CG 3.67Å; P72-E74 VanDerWaalsContact CB-CD 3.5Å; P72-E74 WeakPolarHBondContact CB-OE1 3.04Å; P72-E74 WeakPolarHBondContact CB-OE2 3.34Å; P72-E74 PolarHBondContact O-N 3.25Å; P72-R75 HydrophobicContact CB-CB 4.3Å; P72-R75 HydrophobicContact CB-CG 3.92Å; P72-R75 HydrophobicContact CG-CG 4.46Å; P72-R75 WeakPolarHBondContact O-CA 3.11Å; P72-R75 WeakPolarHBondContact O-CB 3.41Å; P72-R75 PolarHBondContact O-N 3.38Å; P72-I76 PolarHBondContact O-N 2.99Å
73	K	97.8	Very high	97.5	Very high	41 Å²	41	25.7 Å²	25.7	18%	0.178	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-66.5	-31	-172	-55.3	-53.8	-173.4	-169.5	0	111.6	I66 E67 L69 Y71 R75 I76 I103 Y104 H105	I66-K73 PolarHBondContact O-NZ 2.96Å; E67-K73 VanDerWaalsContact O-CE 3.26Å; E67-K73 WeakPolarHBondContact O-CE 3.49Å; E67-K73 PolarHBondContact O-NZ 3.18Å; L69-K73 PolarHBondContact O-NZ 3.35Å; Y71-K73 PolarHBondContact O-N 2.93Å; K73-R75 PolarHBondContact O-N 3.24Å; K73-I76 HydrophobicContact CD-CD1 4.06Å; K73-I76 PolarHBondContact O-N 3.04Å; K73-I76 VanDerWaalsContact O-O 3.12Å; K73-I103 HydrophobicContact CB-CG2 3.84Å; K73-I103 WeakPolarHBondContact CB-O 3.43Å; K73-I103 HydrophobicContact CG-CG2 3.89Å; K73-Y104 HydrophobicContact CB-CD1 4.43Å; K73-Y104 HydrophobicContact CD-CE1 3.86Å; K73-Y104 WeakPolarHBondContact O-CA 3.14Å; K73-H105 PolarHBondContact O-N 2.89Å
74	E	96.9	Very high	97.2	Very high	123 Å²	123	26.2 Å²	26.2	58%	0.575	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-67.7	-7.5	171.1	74.2	-80.2	-167.5	0	0	114.1	P72 H105	P72-E74 VanDerWaalsContact CB-CD 3.5Å; P72-E74 WeakPolarHBondContact CB-OE1 3.04Å; P72-E74 WeakPolarHBondContact CB-OE2 3.34Å; P72-E74 PolarHBondContact O-N 3.25Å; E74-H105 WeakPolarHBondContact O-CB 3.15Å; E74-H105 PolarHBondContact O-ND1 3.43Å
75	R	97.9	Very high	97.1	Very high	52 Å²	52	26.9 Å²	26.9	20%	0.196	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-106.5	0.6	171.1	-57.5	-65.9	-70.7	-175.4	-6.8	112.7	P43 K45 V46 Y71 P72 K73	P43-R75 HydrophobicContact CG-CG 4.3Å; P43-R75 PolarHBondContact O-NE 3.47Å; P43-R75 PolarHBondContact O-NH2 3Å; K45-R75 WeakPolarHBondContact CA-O 3.49Å; V46-R75 PolarHBondContact N-O 2.89Å; Y71-R75 HydrophobicContact CD1-CB 4.36Å; Y71-R75 HydrophobicContact CE1-CB 4Å; P72-R75 HydrophobicContact CB-CB 4.3Å; P72-R75 HydrophobicContact CB-CG 3.92Å; P72-R75 HydrophobicContact CG-CG 4.46Å; P72-R75 WeakPolarHBondContact O-CA 3.11Å; P72-R75 WeakPolarHBondContact O-CB 3.41Å; P72-R75 PolarHBondContact O-N 3.38Å; K73-R75 PolarHBondContact O-N 3.24Å
76	I	98.6	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.4	177.6	-61.6	163.9	0	0	0	109.6	V46 I48 Y71 P72 K73 I78 Y104 H105	V46-I76 HydrophobicContact CG1-CB 4.23Å; V46-I76 HydrophobicContact CG1-CG1 3.57Å; V46-I76 HydrophobicContact CG1-CG2 4.4Å; V46-I76 CarbonylContact O-C 3.48Å; V46-I76 VanDerWaalsContact O-CA 3.32Å; V46-I76 WeakPolarHBondContact O-CA 3.5Å; I48-I76 HydrophobicContact CD1-CG2 3.72Å; I48-I76 HydrophobicContact CG1-CG2 3.92Å; Y71-I76 HydrophobicContact CD1-CD1 4.11Å; Y71-I76 HydrophobicContact CD1-CG1 3.81Å; Y71-I76 HydrophobicContact CG-CD1 4.45Å; P72-I76 PolarHBondContact O-N 2.99Å; K73-I76 HydrophobicContact CD-CD1 4.06Å; K73-I76 PolarHBondContact O-N 3.04Å; K73-I76 VanDerWaalsContact O-O 3.12Å; I76-I78 HydrophobicContact CG2-CD1 3.89Å; I76-Y104 HydrophobicContact CB-CD1 3.65Å; I76-Y104 HydrophobicContact CB-CE1 3.99Å; I76-Y104 HydrophobicContact CD1-CE1 4.13Å; I76-Y104 HydrophobicContact CG2-CD1 3.51Å; I76-Y104 HydrophobicContact CG2-CE1 3.7Å; I76-H105 VanDerWaalsContact O-CB 3.31Å; I76-H105 WeakPolarHBondContact O-CB 3.22Å; I76-H105 PolarHBondContact O-N 3.45Å
77	A	98.6	Very high	96.7	Very high	10 Å²	10	33.3 Å²	33.3	8%	0.083	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	143	164.3	0	0	0	0	0	109.9	V46 M47 I48 Y106	V46-A77 PolarHBondContact O-N 3.2Å; M47-A77 CarbonylContact C-O 3.55Å; M47-A77 VanDerWaalsContact CA-O 3.3Å; M47-A77 WeakPolarHBondContact CA-O 3.28Å; M47-A77 HydrophobicContact CB-CB 4.39Å; M47-A77 HydrophobicContact CE-CB 4.01Å; M47-A77 HydrophobicContact CG-CB 4.37Å; I48-A77 PolarHBondContact N-O 2.91Å; A77-Y106 CarbonylContact C-O 3.54Å; A77-Y106 WeakPolarHBondContact CA-O 3.49Å; A77-Y106 HydrophobicContact CB-CD1 4.29Å
78	I	98.6	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.8	173.2	-55.3	-58.6	0	0	0	109.1	I48 I50 I76 A80 W96 L97 Y104 Y106 V107 E108	I48-I78 HydrophobicContact CB-CD1 4.01Å; I48-I78 HydrophobicContact CD1-CD1 4.34Å; I50-I78 HydrophobicContact CD1-CG2 3.92Å; I50-I78 HydrophobicContact CG1-CG2 4.48Å; I76-I78 HydrophobicContact CG2-CD1 3.89Å; I78-A80 HydrophobicContact CG2-CB 4.28Å; I78-W96 HydrophobicContact CD1-CH2 4.21Å; I78-W96 HydrophobicContact CG1-CH2 4.15Å; I78-W96 HydrophobicContact CG1-CZ3 4.35Å; I78-W96 HydrophobicContact CG2-CZ3 4.13Å; I78-L97 HydrophobicContact CG2-CD2 3.92Å; I78-Y104 HydrophobicContact CD1-CD1 3.89Å; I78-Y104 HydrophobicContact CD1-CE1 3.93Å; I78-Y104 HydrophobicContact CD1-CG 4.37Å; I78-Y104 HydrophobicContact CG1-CD1 3.9Å; I78-Y104 HydrophobicContact CG1-CD2 4.33Å; I78-Y104 HydrophobicContact CG1-CE1 4.34Å; I78-Y104 HydrophobicContact CG1-CG 3.89Å; I78-Y106 PolarHBondContact N-O 3.37Å; I78-V107 HydrophobicContact CB-CG2 4.23Å; I78-V107 CarbonylContact O-C 3.28Å; I78-V107 VanDerWaalsContact O-CA 3.31Å; I78-V107 WeakPolarHBondContact O-CA 3.34Å; I78-E108 PolarHBondContact O-N 3.2Å
79	W	98.6	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.7	166.3	-171.9	98.3	0	0	0	107.5	M47 I48 A49 I50 L51 A81 E108 R110 L138 A141 A142	M47-W79 HydrophobicContact CG-CB 4.09Å; M47-W79 HydrophobicContact SD-CB 3.76Å; M47-W79 HydrophobicContact SD-CG 4.36Å; I48-W79 PolarHBondContact O-N 3.25Å; A49-W79 CarbonylContact C-O 3.4Å; A49-W79 WeakPolarHBondContact CA-O 2.96Å; A49-W79 HydrophobicContact CB-CE3 4.49Å; I50-W79 PolarHBondContact N-O 3.21Å; L51-W79 HydrophobicContact CD2-CH2 4.21Å; L51-W79 HydrophobicContact CD2-CZ3 3.56Å; L51-W79 HydrophobicContact CG-CZ3 4.48Å; W79-A81 HydrophobicContact CH2-CB 3.68Å; W79-A81 HydrophobicContact CZ3-CB 3.67Å; W79-E108 HydrophobicContact CG-CB 4.35Å; W79-E108 VanDerWaalsContact NE1-CD 3.32Å; W79-E108 PolarHBondContact NE1-OE1 3.28Å; W79-R110 HydrophobicContact CZ2-CG 4.47Å; W79-L138 HydrophobicContact CH2-CB 4.27Å; W79-L138 HydrophobicContact CH2-CD2 4.29Å; W79-L138 WeakPolarHBondContact CH2-O 3.01Å; W79-A141 HydrophobicContact CH2-CB 4.43Å; W79-A141 HydrophobicContact CZ2-CB 3.85Å; W79-A142 HydrophobicContact CD2-CB 3.61Å; W79-A142 HydrophobicContact CE3-CB 3.5Å; W79-A142 HydrophobicContact CG-CB 4.18Å; W79-A142 HydrophobicContact CH2-CB 4.13Å; W79-A142 HydrophobicContact CZ2-CB 4.22Å; W79-A142 HydrophobicContact CZ3-CB 3.79Å
80	A	98.3	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.5	-174.4	0	0	0	0	0	111.5	I50 I78 L93 L97 E108 W109 R110	I50-A80 HydrophobicContact CB-CB 4.28Å; I50-A80 CarbonylContact O-C 3.59Å; I50-A80 VanDerWaalsContact O-CA 3.29Å; I50-A80 WeakPolarHBondContact O-CA 3.39Å; I78-A80 HydrophobicContact CG2-CB 4.28Å; A80-L93 HydrophobicContact CB-CD2 4.37Å; A80-L97 HydrophobicContact CB-CD1 3.83Å; A80-L97 HydrophobicContact CB-CD2 3.9Å; A80-L97 HydrophobicContact CB-CG 4.47Å; A80-E108 PolarHBondContact N-O 2.93Å; A80-W109 HydrophobicContact CB-CE3 3.82Å; A80-W109 HydrophobicContact CB-CZ3 4.04Å; A80-W109 WeakPolarHBondContact O-CA 3.45Å; A80-R110 PolarHBondContact O-N 2.88Å
81	A	97.9	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.5	173	0	0	0	0	0	111.8	I50 L51 A52 W79 R110 L138	I50-A81 PolarHBondContact O-N 2.86Å; L51-A81 HydrophobicContact CD2-CB 3.93Å; A52-A81 PolarHBondContact N-O 3.5Å; W79-A81 HydrophobicContact CH2-CB 3.68Å; W79-A81 HydrophobicContact CZ3-CB 3.67Å; A81-R110 VanDerWaalsContact CA-O 3.25Å; A81-R110 WeakPolarHBondContact CA-O 3.35Å; A81-R110 HydrophobicContact CB-CB 3.95Å; A81-R110 WeakPolarHBondContact CB-O 3.21Å; A81-L138 HydrophobicContact CB-CD1 4.42Å; A81-L138 HydrophobicContact CB-CD2 4.14Å
82	T	96.6	Very high	96.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	156.1	170.4	62.6	0	0	0	0	111.7	A52 N85 T89 T90 L93 W109 R110 P111 M112	A52-T82 HydrophobicContact CB-CG2 4.43Å; A52-T82 VanDerWaalsContact O-CA 3.26Å; A52-T82 WeakPolarHBondContact O-CA 3.16Å; T82-N85 VanDerWaalsContact CB-ND2 3.34Å; T82-N85 WeakPolarHBondContact CB-ND2 3.47Å; T82-T89 HydrophobicContact CG2-CG2 4.25Å; T82-T90 HydrophobicContact CG2-CG2 4.48Å; T82-L93 HydrophobicContact CG2-CD2 4.01Å; T82-W109 HydrophobicContact CG2-CH2 3.43Å; T82-W109 VanDerWaalsContact CG2-CH2 3.43Å; T82-W109 HydrophobicContact CG2-CZ2 4.42Å; T82-W109 HydrophobicContact CG2-CZ3 3.93Å; T82-R110 PolarHBondContact N-O 2.89Å; T82-R110 VanDerWaalsContact N-O 3.17Å; T82-P111 WeakPolarHBondContact OG1-CA 3.41Å; T82-M112 VanDerWaalsContact O-CB 3.22Å; T82-M112 WeakPolarHBondContact O-CB 3.26Å; T82-M112 PolarHBondContact OG1-N 3.41Å; T82-M112 PolarHBondContact OG1-O 2.88Å
83	D	93.1	Very high	96.2	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.053	14%	0.139	C	C	.	.			trans	-139.5	107.4	-173.2	173.5	32.5	0	0	0	110.1	A52 R53 N85 Y118 H134 L138	A52-D83 PolarHBondContact O-N 3.14Å; A52-D83 VanDerWaalsContact O-N 3.14Å; R53-D83 HydrophobicContact CB-CB 4.24Å; R53-D83 WeakPolarHBondContact CB-O 3.35Å; R53-D83 WeakPolarHBondContact CD-O 3.32Å; R53-D83 WeakPolarHBondContact CD-OD2 3.31Å; R53-D83 WeakPolarHBondContact CG-O 3.41Å; R53-D83 PolarHBondContact NE-O 2.92Å; D83-N85 PolarHBondContact O-N 2.91Å; D83-Y118 VanDerWaalsContact CG-OH 3.27Å; D83-Y118 PolarHBondContact OD1-OH 2.9Å; D83-Y118 PolarHBondContact OD2-OH 3.42Å; D83-H134 IonicContact OD1-CD2 3.84Å; D83-H134 PolarHBondContact OD1-CD2 2.85Å; D83-H134 VanDerWaalsContact OD1-CD2 3.28Å; D83-H134 IonicContact OD1-NE2 3.17Å; D83-L138 HydrophobicContact CB-CD1 4.32Å
84	H	93.4	Very high	96.1	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.056	15%	0.15	C	C	.	.	S	Bend	trans	44.1	67.5	168.6	-60.7	73.1	0	0	0	113.7	R53 M112 P115 S116 S117 Y118	R53-H84 PolarHBondContact NE-O 3.23Å; H84-M112 PolarHBondContact CE1-SD 2.94Å; H84-P115 WeakPolarHBondContact CA-O 3.4Å; H84-P115 WeakPolarHBondContact CB-O 3.33Å; H84-P115 PolarHBondContact CD2-O 3.39Å; H84-P115 WeakPolarHBondContact NE2-CG 3.43Å; H84-S116 CarbonylContact C-O 3.48Å; H84-S116 VanDerWaalsContact O-O 3.08Å; H84-S117 PolarHBondContact CD2-O 3.16Å; H84-Y118 HydrophobicContact CB-CD2 4.39Å; H84-Y118 HydrophobicContact CB-CE2 4.03Å; H84-Y118 AromaticContact CE1-CE1 3.93Å; H84-Y118 AromaticContact CE1-CE2 3.96Å; H84-Y118 AromaticContact CE1-CZ 3.6Å; H84-Y118 AromaticContact CG-CE2 3.69Å; H84-Y118 AromaticContact ND1-CE2 3.56Å; H84-Y118 AromaticContact ND1-CZ 3.54Å
85	N	94	Very high	96.1	Very high	13 Å²	13	27.7 Å²	27.7	7%	0.07	14%	0.142	C	C	.	.			trans	-90.5	137.1	-177.7	-69.6	-44.9	0	0	0	111.9	R53 N54 T82 D83 T89 T90	R53-N85 WeakPolarHBondContact CA-OD1 3.31Å; N54-N85 PolarHBondContact N-OD1 3.17Å; N54-N85 WeakPolarHBondContact OD1-CA 3.21Å; T82-N85 VanDerWaalsContact CB-ND2 3.34Å; T82-N85 WeakPolarHBondContact CB-ND2 3.47Å; D83-N85 PolarHBondContact O-N 2.91Å; N85-T89 WeakPolarHBondContact ND2-CB 3.43Å; N85-T89 WeakPolarHBondContact ND2-CG2 3.21Å; N85-T90 PolarHBondContact ND2-OG1 3.05Å
86	V	93.1	Very high	96.1	Very high	93 Å²	93	25.2 Å²	25.2	56%	0.564	13%	0.132	S	C	*	.	S	Bend	trans	-103.6	-8.6	167.4	-61.2	0	0	0	0	112.6	N54 V293	N54-V86 WeakPolarHBondContact OD1-CG2 3.48Å; N54-V86 PolarHBondContact OD1-N 3.35Å; V86-V293 HydrophobicContact CG2-CG2 4.29Å
87	D	93.4	Very high	96	Very high	45 Å²	45	25.4 Å²	25.4	24%	0.241	13%	0.133	C	C	.	.	S	Bend	trans	-112.1	-170.1	-179	74.3	-1.4	0	0	0	112.3	N54 A55 A56 T89	N54-D87 WeakPolarHBondContact CA-OD1 3.33Å; N54-D87 VanDerWaalsContact CA-OD2 3.22Å; N54-D87 WeakPolarHBondContact CA-OD2 3.39Å; A55-D87 PolarHBondContact N-OD2 3.45Å; A56-D87 HydrophobicContact CB-CB 4.2Å; A56-D87 WeakPolarHBondContact CB-OD2 3.44Å; A56-D87 PolarHBondContact N-OD2 3.22Å; D87-T89 VanDerWaalsContact CG-OG1 3.23Å; D87-T89 PolarHBondContact O-N 3.09Å; D87-T89 VanDerWaalsContact O-N 3.14Å; D87-T89 WeakPolarHBondContact OD1-CB 3.47Å; D87-T89 PolarHBondContact OD1-N 2.8Å; D87-T89 PolarHBondContact OD1-OG1 3.26Å; D87-T89 PolarHBondContact OD2-OG1 2.8Å
88	N	94	Very high	95.9	Very high	97 Å²	97	31.1 Å²	31.1	52%	0.519	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	11.7	-176	-156.6	36.3	0	0	0	114.9	A56 T90 A91 M92	A56-N88 HydrophobicContact CB-CB 4.28Å; N88-T90 PolarHBondContact O-N 3.45Å; N88-A91 PolarHBondContact O-N 2.96Å; N88-A91 VanDerWaalsContact OD1-CB 3.26Å; N88-A91 WeakPolarHBondContact OD1-CB 3.48Å; N88-M92 HydrophobicContact CB-CG 4.4Å; N88-M92 HydrophobicContact CB-SD 4.24Å; N88-M92 WeakPolarHBondContact O-CG 3.31Å; N88-M92 PolarHBondContact O-N 3.41Å
89	T	95.6	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-52.9	-50	-173.9	-67.9	0	0	0	0	112.5	A52 A55 A56 L59 T82 N85 D87 A91 M92 L93	A52-T89 HydrophobicContact CB-CG2 3.58Å; A55-T89 HydrophobicContact CB-CG2 4.19Å; A55-T89 PolarHBondContact N-OG1 2.96Å; A56-T89 PolarHBondContact N-OG1 3.09Å; L59-T89 HydrophobicContact CD1-CG2 4.02Å; T82-T89 HydrophobicContact CG2-CG2 4.25Å; N85-T89 WeakPolarHBondContact ND2-CB 3.43Å; N85-T89 WeakPolarHBondContact ND2-CG2 3.21Å; D87-T89 VanDerWaalsContact CG-OG1 3.23Å; D87-T89 PolarHBondContact O-N 3.09Å; D87-T89 VanDerWaalsContact O-N 3.14Å; D87-T89 WeakPolarHBondContact OD1-CB 3.47Å; D87-T89 PolarHBondContact OD1-N 2.8Å; D87-T89 PolarHBondContact OD1-OG1 3.26Å; D87-T89 PolarHBondContact OD2-OG1 2.8Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 PolarHBondContact O-N 3.31Å; T89-M92 PolarHBondContact O-N 3.01Å; T89-L93 WeakPolarHBondContact O-CB 3.47Å; T89-L93 PolarHBondContact O-N 3.33Å
90	T	96.2	Very high	95.7	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.055	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-42.4	-176.4	-51.7	0	0	0	0	111.8	T82 N85 N88 R94 W109 P111 E113	T82-T90 HydrophobicContact CG2-CG2 4.48Å; N85-T90 PolarHBondContact ND2-OG1 3.05Å; N88-T90 PolarHBondContact O-N 3.45Å; T90-R94 WeakPolarHBondContact O-CB 3.42Å; T90-R94 PolarHBondContact O-N 3.41Å; T90-W109 HydrophobicContact CG2-CH2 4.36Å; T90-W109 HydrophobicContact CG2-CZ2 3.91Å; T90-P111 HydrophobicContact CG2-CB 4.16Å; T90-E113 HydrophobicContact CG2-CG 3.8Å
91	A	95.2	Very high	95.6	Very high	30 Å²	30	41.6 Å²	41.6	25%	0.248	20%	0.204	C	C	.	.	H	α-helix	trans	-69.6	-43.5	-178.8	0	0	0	0	0	112	N88 T89 R94 E95	N88-A91 PolarHBondContact O-N 2.96Å; N88-A91 VanDerWaalsContact OD1-CB 3.26Å; N88-A91 WeakPolarHBondContact OD1-CB 3.48Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 PolarHBondContact O-N 3.31Å; A91-R94 PolarHBondContact O-N 2.79Å; A91-E95 PolarHBondContact O-N 2.87Å
92	M	96.1	Very high	95.6	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.069	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-47.2	178.4	-69.3	175.7	69.7	0	0	111.6	A56 L59 P60 N88 T89 R94 E95 W96 I319	A56-M92 HydrophobicContact CB-SD 3.73Å; A56-M92 WeakPolarHBondContact O-CE 3.35Å; L59-M92 HydrophobicContact CB-CE 4.42Å; L59-M92 HydrophobicContact CD1-CB 3.98Å; P60-M92 HydrophobicContact CG-CE 3.54Å; N88-M92 HydrophobicContact CB-CG 4.4Å; N88-M92 HydrophobicContact CB-SD 4.24Å; N88-M92 WeakPolarHBondContact O-CG 3.31Å; N88-M92 PolarHBondContact O-N 3.41Å; T89-M92 PolarHBondContact O-N 3.01Å; M92-R94 VanDerWaalsContact C-N 3.33Å; M92-R94 PolarHBondContact O-N 3.25Å; M92-E95 WeakPolarHBondContact O-CB 3.31Å; M92-E95 PolarHBondContact O-N 3.18Å; M92-W96 PolarHBondContact O-N 3.4Å; M92-W96 VanDerWaalsContact O-N 3.09Å; M92-I319 HydrophobicContact CB-CG2 4.24Å; M92-I319 HydrophobicContact CE-CG2 3.74Å; M92-I319 HydrophobicContact CG-CG2 4.29Å
93	L	96.3	Very high	95.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-39.9	178.2	-173.1	53.6	0	0	0	111	I50 A52 L59 L63 A80 T82 T89 E95 W96 L97 W109	I50-L93 HydrophobicContact CG2-CD1 4.5Å; I50-L93 HydrophobicContact CG2-CD2 4.47Å; A52-L93 HydrophobicContact CB-CD2 3.94Å; L59-L93 HydrophobicContact CD1-CB 4.02Å; L59-L93 HydrophobicContact CD2-CD1 4.35Å; L63-L93 HydrophobicContact CD1-CD1 4.04Å; L63-L93 HydrophobicContact CD2-CD1 4.31Å; A80-L93 HydrophobicContact CB-CD2 4.37Å; T82-L93 HydrophobicContact CG2-CD2 4.01Å; T89-L93 WeakPolarHBondContact O-CB 3.47Å; T89-L93 PolarHBondContact O-N 3.33Å; L93-E95 VanDerWaalsContact C-N 3.35Å; L93-E95 PolarHBondContact O-N 3.2Å; L93-W96 HydrophobicContact CD1-CE3 4.38Å; L93-W96 PolarHBondContact O-N 2.93Å; L93-L97 HydrophobicContact CD1-CD1 4.33Å; L93-L97 HydrophobicContact CD1-CG 4.27Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.38Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 WeakPolarHBondContact O-CD1 3.16Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 2.99Å; L93-W109 HydrophobicContact CB-CH2 4.1Å; L93-W109 HydrophobicContact CB-CZ3 4.44Å; L93-W109 HydrophobicContact CD2-CH2 3.88Å; L93-W109 HydrophobicContact CD2-CZ3 3.54Å; L93-W109 HydrophobicContact CG-CH2 3.93Å; L93-W109 HydrophobicContact CG-CZ3 3.75Å
94	R	96.3	Very high	95.8	Very high	110 Å²	110	54.7 Å²	54.7	42%	0.415	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-40.2	173.7	-179.8	178.7	64.7	-171.3	-3.5	112.6	T90 A91 M92 L97 K98 W109	T90-R94 WeakPolarHBondContact O-CB 3.42Å; T90-R94 PolarHBondContact O-N 3.41Å; A91-R94 PolarHBondContact O-N 2.79Å; M92-R94 VanDerWaalsContact C-N 3.33Å; M92-R94 PolarHBondContact O-N 3.25Å; R94-L97 PolarHBondContact O-N 3.46Å; R94-K98 WeakPolarHBondContact O-CG 3.39Å; R94-K98 PolarHBondContact O-N 2.75Å; R94-W109 HydrophobicContact CB-CZ2 4.19Å
95	E	96.3	Very high	96	Very high	84 Å²	84	59.2 Å²	59.2	39%	0.393	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-50	176.2	-174.7	-179.4	-169.3	0	0	110.9	A91 M92 L93 L97 K98	A91-E95 PolarHBondContact O-N 2.87Å; M92-E95 WeakPolarHBondContact O-CB 3.31Å; M92-E95 PolarHBondContact O-N 3.18Å; L93-E95 VanDerWaalsContact C-N 3.35Å; L93-E95 PolarHBondContact O-N 3.2Å; E95-L97 PolarHBondContact O-N 3.44Å; E95-K98 PolarHBondContact O-N 3.01Å
96	W	98	Very high	96.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-46.5	176.8	-174.2	85.6	0	0	0	112.4	I50 L63 I66 E67 I78 M92 L93 K98 K99 A100 Y104 S316 I319	I50-W96 HydrophobicContact CD1-CH2 4.48Å; I50-W96 HydrophobicContact CD1-CZ3 4.25Å; L63-W96 HydrophobicContact CB-CD2 4.47Å; L63-W96 HydrophobicContact CB-CG 4.41Å; L63-W96 HydrophobicContact CD1-CB 3.86Å; L63-W96 HydrophobicContact CD1-CD2 3.96Å; L63-W96 HydrophobicContact CD1-CE3 4.46Å; L63-W96 HydrophobicContact CD1-CG 3.65Å; L63-W96 HydrophobicContact CD2-CD2 3.9Å; L63-W96 HydrophobicContact CD2-CE3 4Å; L63-W96 HydrophobicContact CD2-CG 4.44Å; L63-W96 HydrophobicContact CD2-CH2 4.23Å; L63-W96 HydrophobicContact CD2-CZ2 4.13Å; L63-W96 HydrophobicContact CD2-CZ3 4.16Å; L63-W96 HydrophobicContact CG-CD2 4.32Å; L63-W96 HydrophobicContact CG-CG 4.37Å; I66-W96 HydrophobicContact CG2-CH2 4.3Å; I66-W96 HydrophobicContact CG2-CZ2 4.34Å; E67-W96 HydrophobicContact CG-CZ2 4.38Å; E67-W96 PolarHBondContact OE1-NE1 2.51Å; I78-W96 HydrophobicContact CD1-CH2 4.21Å; I78-W96 HydrophobicContact CG1-CH2 4.15Å; I78-W96 HydrophobicContact CG1-CZ3 4.35Å; I78-W96 HydrophobicContact CG2-CZ3 4.13Å; M92-W96 PolarHBondContact O-N 3.4Å; M92-W96 VanDerWaalsContact O-N 3.09Å; L93-W96 HydrophobicContact CD1-CE3 4.38Å; L93-W96 PolarHBondContact O-N 2.93Å; W96-K98 VanDerWaalsContact C-N 3.27Å; W96-K98 PolarHBondContact O-N 3.03Å; W96-K99 WeakPolarHBondContact O-CA 3.35Å; W96-K99 WeakPolarHBondContact O-CB 3.39Å; W96-K99 PolarHBondContact O-N 3.42Å; W96-A100 HydrophobicContact CD2-CB 4.31Å; W96-A100 HydrophobicContact CE3-CB 3.88Å; W96-A100 HydrophobicContact CH2-CB 3.87Å; W96-A100 HydrophobicContact CZ2-CB 4.3Å; W96-A100 HydrophobicContact CZ3-CB 3.64Å; W96-A100 PolarHBondContact O-N 3.21Å; W96-Y104 HydrophobicContact CH2-CE2 4.09Å; W96-Y104 HydrophobicContact CZ2-CE2 4.05Å; W96-S316 VanDerWaalsContact CD1-OG 3.3Å; W96-I319 HydrophobicContact CB-CD1 3.77Å; W96-I319 HydrophobicContact CB-CG1 3.72Å; W96-I319 HydrophobicContact CG-CD1 4.16Å; W96-I319 HydrophobicContact CG-CG1 4.3Å
97	L	97.6	Very high	96.4	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-31.8	-177.1	-71.5	167.5	0	0	0	112.9	I78 A80 L93 R94 E95 K99 A100 Q101 V107 W109	I78-L97 HydrophobicContact CG2-CD2 3.92Å; A80-L97 HydrophobicContact CB-CD1 3.83Å; A80-L97 HydrophobicContact CB-CD2 3.9Å; A80-L97 HydrophobicContact CB-CG 4.47Å; L93-L97 HydrophobicContact CD1-CD1 4.33Å; L93-L97 HydrophobicContact CD1-CG 4.27Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.38Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 WeakPolarHBondContact O-CD1 3.16Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 2.99Å; R94-L97 PolarHBondContact O-N 3.46Å; E95-L97 PolarHBondContact O-N 3.44Å; L97-K99 PolarHBondContact O-N 3.14Å; L97-A100 PolarHBondContact O-N 3.03Å; L97-Q101 WeakPolarHBondContact O-CG 3.37Å; L97-Q101 PolarHBondContact O-N 3.02Å; L97-V107 HydrophobicContact CB-CG1 4.33Å; L97-V107 HydrophobicContact CD2-CG1 3.53Å; L97-V107 HydrophobicContact CG-CG1 4.43Å; L97-W109 HydrophobicContact CD1-CB 4.29Å; L97-W109 HydrophobicContact CD1-CD2 3.5Å; L97-W109 HydrophobicContact CD1-CE3 3.13Å; L97-W109 HydrophobicContact CD1-CG 4.03Å; L97-W109 HydrophobicContact CD1-CH2 4.21Å; L97-W109 HydrophobicContact CD1-CZ3 3.55Å
98	K	96.4	Very high	96.7	Very high	129 Å²	129	57.4 Å²	57.4	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-61.1	-33.6	173.5	-74.1	173.2	179	179.4	0	112.3	R94 E95 W96	R94-K98 WeakPolarHBondContact O-CG 3.39Å; R94-K98 PolarHBondContact O-N 2.75Å; E95-K98 PolarHBondContact O-N 3.01Å; W96-K98 VanDerWaalsContact C-N 3.27Å; W96-K98 PolarHBondContact O-N 3.03Å
99	K	96.3	Very high	96.8	Very high	98 Å²	98	56 Å²	56	43%	0.426	25%	0.247	S	C	.	.	H	α-helix	trans	-79.6	-44.3	173.4	-61.8	-63.3	-173.9	171.8	0	110.4	W96 L97 Q101 R102 Y318	W96-K99 WeakPolarHBondContact O-CA 3.35Å; W96-K99 WeakPolarHBondContact O-CB 3.39Å; W96-K99 PolarHBondContact O-N 3.42Å; L97-K99 PolarHBondContact O-N 3.14Å; K99-Q101 PolarHBondContact O-N 3.36Å; K99-R102 PolarHBondContact O-N 3.42Å; K99-Y318 HydrophobicContact CB-CD1 3.92Å; K99-Y318 HydrophobicContact CB-CD2 4.32Å; K99-Y318 HydrophobicContact CB-CE1 4.49Å; K99-Y318 HydrophobicContact CB-CG 3.82Å; K99-Y318 HydrophobicContact CD-CD1 4.36Å; K99-Y318 HydrophobicContact CG-CD1 3.82Å; K99-Y318 HydrophobicContact CG-CG 4Å
100	A	96.3	Very high	96.9	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-55.6	-37.1	179	0	0	0	0	0	112.5	W96 L97 R102 I103 Y104 V107	W96-A100 HydrophobicContact CD2-CB 4.31Å; W96-A100 HydrophobicContact CE3-CB 3.88Å; W96-A100 HydrophobicContact CH2-CB 3.87Å; W96-A100 HydrophobicContact CZ2-CB 4.3Å; W96-A100 HydrophobicContact CZ3-CB 3.64Å; W96-A100 PolarHBondContact O-N 3.21Å; L97-A100 PolarHBondContact O-N 3.03Å; A100-R102 PolarHBondContact O-N 3.4Å; A100-I103 PolarHBondContact O-N 2.97Å; A100-Y104 HydrophobicContact CB-CD2 3.72Å; A100-Y104 HydrophobicContact CB-CE2 4.14Å; A100-Y104 WeakPolarHBondContact O-CB 3.35Å; A100-Y104 WeakPolarHBondContact O-CD2 3.29Å; A100-Y104 PolarHBondContact O-N 2.94Å; A100-V107 HydrophobicContact CB-CG2 4.09Å
101	Q	96.7	Very high	96.8	Very high	122 Å²	122	64 Å²	64	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-54.9	-24.4	176	-83.6	176.9	-13.2	0	0	114.8	L97 K99 V107	L97-Q101 WeakPolarHBondContact O-CG 3.37Å; L97-Q101 PolarHBondContact O-N 3.02Å; K99-Q101 PolarHBondContact O-N 3.36Å; Q101-V107 HydrophobicContact CB-CG2 4.44Å; Q101-V107 HydrophobicContact CG-CB 3.72Å; Q101-V107 HydrophobicContact CG-CG1 4.11Å; Q101-V107 HydrophobicContact CG-CG2 3.93Å
102	R	96.6	Very high	96.6	Very high	212 Å²	212	65.2 Å²	65.2	80%	0.8	29%	0.287	S	S	*	.	H	α-helix	trans	-94.5	-15.8	-179.9	-58.9	-178.6	-178.7	-177.7	-2.5	113.3	K99 A100	K99-R102 PolarHBondContact O-N 3.42Å; A100-R102 PolarHBondContact O-N 3.4Å
103	I	97	Very high	95.8	Very high	62 Å²	62	69.7 Å²	69.7	32%	0.318	31%	0.307	S	S	.	.	H	α-helix	trans	-109.8	-42.4	-169.6	-60	170.2	0	0	0	110.5	K73 A100 Y318	K73-I103 HydrophobicContact CB-CG2 3.84Å; K73-I103 WeakPolarHBondContact CB-O 3.43Å; K73-I103 HydrophobicContact CG-CG2 3.89Å; A100-I103 PolarHBondContact O-N 2.97Å; I103-Y318 HydrophobicContact CD1-CE1 4.35Å; I103-Y318 HydrophobicContact CD1-CE2 3.72Å; I103-Y318 WeakPolarHBondContact CD1-OH 3.28Å
104	Y	98	Very high	95.4	Very high	13 Å²	13	76.9 Å²	76.9	5%	0.051	34%	0.341	C	S	.	.	S	Bend	trans	-91.2	153.8	-176.4	-69.3	-92.6	0	0	0	111.1	I66 K73 I76 I78 W96 A100 Y106	I66-Y104 PolarHBondContact O-OH 2.75Å; K73-Y104 HydrophobicContact CB-CD1 4.43Å; K73-Y104 HydrophobicContact CD-CE1 3.86Å; K73-Y104 WeakPolarHBondContact O-CA 3.14Å; I76-Y104 HydrophobicContact CB-CD1 3.65Å; I76-Y104 HydrophobicContact CB-CE1 3.99Å; I76-Y104 HydrophobicContact CD1-CE1 4.13Å; I76-Y104 HydrophobicContact CG2-CD1 3.51Å; I76-Y104 HydrophobicContact CG2-CE1 3.7Å; I78-Y104 HydrophobicContact CD1-CD1 3.89Å; I78-Y104 HydrophobicContact CD1-CE1 3.93Å; I78-Y104 HydrophobicContact CD1-CG 4.37Å; I78-Y104 HydrophobicContact CG1-CD1 3.9Å; I78-Y104 HydrophobicContact CG1-CD2 4.33Å; I78-Y104 HydrophobicContact CG1-CE1 4.34Å; I78-Y104 HydrophobicContact CG1-CG 3.89Å; W96-Y104 HydrophobicContact CH2-CE2 4.09Å; W96-Y104 HydrophobicContact CZ2-CE2 4.05Å; A100-Y104 HydrophobicContact CB-CD2 3.72Å; A100-Y104 HydrophobicContact CB-CE2 4.14Å; A100-Y104 WeakPolarHBondContact O-CB 3.35Å; A100-Y104 WeakPolarHBondContact O-CD2 3.29Å; A100-Y104 PolarHBondContact O-N 2.94Å; Y104-Y106 PolarHBondContact O-N 2.91Å
105	H	97.1	Very high	95.1	Very high	107 Å²	107	75 Å²	75	50%	0.495	34%	0.342	S	S	.	.	S	Bend	trans	-54.1	-40.5	-178.4	-178.7	62.4	0	0	0	113.5	K73 E74 I76	K73-H105 PolarHBondContact O-N 2.89Å; E74-H105 WeakPolarHBondContact O-CB 3.15Å; E74-H105 PolarHBondContact O-ND1 3.43Å; I76-H105 VanDerWaalsContact O-CB 3.31Å; I76-H105 WeakPolarHBondContact O-CB 3.22Å; I76-H105 PolarHBondContact O-N 3.45Å
106	Y	97.9	Very high	94.7	Very high	65 Å²	65	72.9 Å²	72.9	26%	0.255	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	148.5	-177.1	173.9	-113.6	0	0	0	109.5	A77 I78 Y104 E108 R149	A77-Y106 CarbonylContact C-O 3.54Å; A77-Y106 WeakPolarHBondContact CA-O 3.49Å; A77-Y106 HydrophobicContact CB-CD1 4.29Å; I78-Y106 PolarHBondContact N-O 3.37Å; Y104-Y106 PolarHBondContact O-N 2.91Å; Y106-E108 HydrophobicContact CE1-CB 3.71Å; Y106-E108 PolarHBondContact OH-OE2 2.86Å; Y106-R149 VanDerWaalsContact CE2-NH2 3.3Å
107	V	98.1	Very high	94.4	Very high	18 Å²	18	75.4 Å²	75.4	11%	0.109	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.8	173.9	178.1	0	0	0	0	108.9	I78 L97 A100 Q101	I78-V107 HydrophobicContact CB-CG2 4.23Å; I78-V107 CarbonylContact O-C 3.28Å; I78-V107 VanDerWaalsContact O-CA 3.31Å; I78-V107 WeakPolarHBondContact O-CA 3.34Å; L97-V107 HydrophobicContact CB-CG1 4.33Å; L97-V107 HydrophobicContact CD2-CG1 3.53Å; L97-V107 HydrophobicContact CG-CG1 4.43Å; A100-V107 HydrophobicContact CB-CG2 4.09Å; Q101-V107 HydrophobicContact CB-CG2 4.44Å; Q101-V107 HydrophobicContact CG-CB 3.72Å; Q101-V107 HydrophobicContact CG-CG1 4.11Å; Q101-V107 HydrophobicContact CG-CG2 3.93Å
108	E	97.8	Very high	94.2	Very high	30 Å²	30	76 Å²	76	14%	0.14	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.1	168.1	-170.5	166.6	140.7	0	0	110	I78 W79 A80 Y106 R110	I78-E108 PolarHBondContact O-N 3.2Å; W79-E108 HydrophobicContact CG-CB 4.35Å; W79-E108 VanDerWaalsContact NE1-CD 3.32Å; W79-E108 PolarHBondContact NE1-OE1 3.28Å; A80-E108 PolarHBondContact N-O 2.93Å; Y106-E108 HydrophobicContact CE1-CB 3.71Å; Y106-E108 PolarHBondContact OH-OE2 2.86Å; E108-R110 IonicContact OE1-CZ 3.9Å; E108-R110 IonicContact OE1-NE 2.75Å; E108-R110 PolarHBondContact OE1-NE 2.68Å; E108-R110 IonicContact OE1-NH2 2.97Å; E108-R110 PolarHBondContact OE1-NH2 2.88Å
109	W	97.4	Very high	94	Very high	66 Å²	66	77 Å²	77	25%	0.25	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.1	-176.6	176.4	-128.9	0	0	0	111	A80 T82 T90 L93 R94 L97 P111	A80-W109 HydrophobicContact CB-CE3 3.82Å; A80-W109 HydrophobicContact CB-CZ3 4.04Å; A80-W109 WeakPolarHBondContact O-CA 3.45Å; T82-W109 HydrophobicContact CG2-CH2 3.43Å; T82-W109 VanDerWaalsContact CG2-CH2 3.43Å; T82-W109 HydrophobicContact CG2-CZ2 4.42Å; T82-W109 HydrophobicContact CG2-CZ3 3.93Å; T90-W109 HydrophobicContact CG2-CH2 4.36Å; T90-W109 HydrophobicContact CG2-CZ2 3.91Å; L93-W109 HydrophobicContact CB-CH2 4.1Å; L93-W109 HydrophobicContact CB-CZ3 4.44Å; L93-W109 HydrophobicContact CD2-CH2 3.88Å; L93-W109 HydrophobicContact CD2-CZ3 3.54Å; L93-W109 HydrophobicContact CG-CH2 3.93Å; L93-W109 HydrophobicContact CG-CZ3 3.75Å; R94-W109 HydrophobicContact CB-CZ2 4.19Å; L97-W109 HydrophobicContact CD1-CB 4.29Å; L97-W109 HydrophobicContact CD1-CD2 3.5Å; L97-W109 HydrophobicContact CD1-CE3 3.13Å; L97-W109 HydrophobicContact CD1-CG 4.03Å; L97-W109 HydrophobicContact CD1-CH2 4.21Å; L97-W109 HydrophobicContact CD1-CZ3 3.55Å; W109-P111 HydrophobicContact CH2-CB 4.47Å; W109-P111 HydrophobicContact CZ2-CB 3.65Å; W109-P111 HydrophobicContact CZ2-CG 4.41Å
110	R	96.8	Very high	93.9	Very high	111 Å²	111	75.6 Å²	75.6	42%	0.419	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	81.8	178.8	-61.5	-169.1	-176.6	-157.8	-0.3	110.8	W79 A80 A81 T82 E108	W79-R110 HydrophobicContact CZ2-CG 4.47Å; A80-R110 PolarHBondContact O-N 2.88Å; A81-R110 VanDerWaalsContact CA-O 3.25Å; A81-R110 WeakPolarHBondContact CA-O 3.35Å; A81-R110 HydrophobicContact CB-CB 3.95Å; A81-R110 WeakPolarHBondContact CB-O 3.21Å; T82-R110 PolarHBondContact N-O 2.89Å; T82-R110 VanDerWaalsContact N-O 3.17Å; E108-R110 IonicContact OE1-CZ 3.9Å; E108-R110 IonicContact OE1-NE 2.75Å; E108-R110 PolarHBondContact OE1-NE 2.68Å; E108-R110 IonicContact OE1-NH2 2.97Å; E108-R110 PolarHBondContact OE1-NH2 2.88Å
111	P	94.3	Very high	93.7	Very high	68 Å²	68	76.9 Å²	76.9	44%	0.442	38%	0.377	S	S	.	.			trans	-73.9	143.1	179.1	29.2	-31.2	0	0	0	111.3	T82 T90 W109	T82-P111 WeakPolarHBondContact OG1-CA 3.41Å; T90-P111 HydrophobicContact CG2-CB 4.16Å; W109-P111 HydrophobicContact CH2-CB 4.47Å; W109-P111 HydrophobicContact CZ2-CB 3.65Å; W109-P111 HydrophobicContact CZ2-CG 4.41Å
112	M	90.8	Very high	93.5	Very high	55 Å²	55	77.7 Å²	77.7	27%	0.271	38%	0.375	S	S	.	.			trans	-129.6	109.2	162.2	-169.5	165.8	-64	0	0	108.1	T82 H84 H134	T82-M112 VanDerWaalsContact O-CB 3.22Å; T82-M112 WeakPolarHBondContact O-CB 3.26Å; T82-M112 PolarHBondContact OG1-N 3.41Å; T82-M112 PolarHBondContact OG1-O 2.88Å; H84-M112 PolarHBondContact CE1-SD 2.94Å; M112-H134 VanDerWaalsContact CE-CE1 3.4Å; M112-H134 WeakPolarHBondContact CE-CE1 3.41Å
113	E	80.8	Confident	93.2	Very high	107 Å²	107	68.3 Å²	68.3	50%	0.5	35%	0.345	S	S	.	.			trans	-96.8	-37.4	175.6	-69.3	-177.4	179.9	0	0	111	T90	T90-E113 HydrophobicContact CG2-CG 3.8Å
114	E	86.6	Confident	92.8	Very high	152 Å²	152	67 Å²	67	71%	0.71	34%	0.34	S	S	*	.	S	Bend	trans	-125.6	140.5	-178.3	-68.6	-63.3	161.3	0	0	112.1
115	P	89.9	Confident	92.5	Very high	69 Å²	69	67 Å²	67	45%	0.448	34%	0.34	S	S	.	.	S	Bend	cis	-69.8	158.5	-5.9	24.4	-23.4	0	0	0	112.1	H84 S117	H84-P115 WeakPolarHBondContact CA-O 3.4Å; H84-P115 WeakPolarHBondContact CB-O 3.33Å; H84-P115 PolarHBondContact CD2-O 3.39Å; H84-P115 WeakPolarHBondContact NE2-CG 3.43Å; P115-S117 PolarHBondContact O-N 3.11Å
116	S	88	Confident	92.3	Very high	40 Å²	40	65.3 Å²	65.3	28%	0.28	33%	0.33	S	S	.	.	S	Bend	trans	-77.8	-6.4	176.8	68.2	0	0	0	0	113.7	H84	H84-S116 CarbonylContact C-O 3.48Å; H84-S116 VanDerWaalsContact O-O 3.08Å
117	S	92.3	Very high	92	Very high	54 Å²	54	64.7 Å²	64.7	38%	0.378	33%	0.327	S	S	.	.	S	Bend	trans	-153.1	157.7	-177.7	57.8	0	0	0	0	112.5	H84 P115 E121	H84-S117 PolarHBondContact CD2-O 3.16Å; P115-S117 PolarHBondContact O-N 3.11Å; S117-E121 WeakPolarHBondContact CA-OE1 3.17Å; S117-E121 WeakPolarHBondContact CB-OE1 3.45Å
118	Y	93	Very high	91.8	Very high	18 Å²	18	63.9 Å²	63.9	7%	0.071	32%	0.322	C	S	.	.			trans	-81.1	145.7	171.8	-68.8	-97.1	0	0	0	111	R53 D83 H84 D120 E121 S130 R131 H134	R53-Y118 VanDerWaalsContact NH1-CD2 3.31Å; R53-Y118 VanDerWaalsContact NH1-CE2 3.28Å; D83-Y118 VanDerWaalsContact CG-OH 3.27Å; D83-Y118 PolarHBondContact OD1-OH 2.9Å; D83-Y118 PolarHBondContact OD2-OH 3.42Å; H84-Y118 HydrophobicContact CB-CD2 4.39Å; H84-Y118 HydrophobicContact CB-CE2 4.03Å; H84-Y118 AromaticContact CE1-CE1 3.93Å; H84-Y118 AromaticContact CE1-CE2 3.96Å; H84-Y118 AromaticContact CE1-CZ 3.6Å; H84-Y118 AromaticContact CG-CE2 3.69Å; H84-Y118 AromaticContact ND1-CE2 3.56Å; H84-Y118 AromaticContact ND1-CZ 3.54Å; Y118-D120 VanDerWaalsContact C-N 3.29Å; Y118-D120 PolarHBondContact O-N 3.15Å; Y118-E121 WeakPolarHBondContact CD2-OE2 3.29Å; Y118-E121 VanDerWaalsContact N-CD 3.28Å; Y118-E121 PolarHBondContact N-OE1 3.22Å; Y118-E121 WeakPolarHBondContact O-CG 3.36Å; Y118-E121 PolarHBondContact O-N 3.26Å; Y118-S130 WeakPolarHBondContact CD1-OG 3.23Å; Y118-R131 HydrophobicContact CD1-CB 4.3Å; Y118-R131 HydrophobicContact CD2-CB 4.09Å; Y118-R131 HydrophobicContact CD2-CG 4.3Å; Y118-R131 HydrophobicContact CE1-CB 4.14Å; Y118-R131 HydrophobicContact CE2-CB 3.95Å; Y118-R131 HydrophobicContact CE2-CG 3.84Å; Y118-R131 HydrophobicContact CG-CB 4.27Å; Y118-H134 HydrophobicContact CE1-CB 3.99Å; Y118-H134 WeakPolarHBondContact OH-CB 3.46Å; Y118-H134 PolarHBondContact OH-CD2 2.79Å; Y118-H134 VanDerWaalsContact OH-CG 3.29Å
119	T	92.4	Very high	91.6	Very high	149 Å²	149	66.1 Å²	66.1	91%	0.914	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.1	-175.4	52.1	0	0	0	0	114
120	D	94.3	Very high	91.5	Very high	69 Å²	69	64.7 Å²	64.7	37%	0.369	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.5	178.3	58.6	-20.3	0	0	0	112.1	Y118 Y126 P128 S130	Y118-D120 VanDerWaalsContact C-N 3.29Å; Y118-D120 PolarHBondContact O-N 3.15Å; D120-Y126 WeakPolarHBondContact O-CE1 3.45Å; D120-P128 HydrophobicContact CB-CB 4.41Å; D120-P128 WeakPolarHBondContact OD2-CB 3.37Å; D120-S130 VanDerWaalsContact OD1-CB 3.32Å; D120-S130 WeakPolarHBondContact OD1-CB 3.11Å; D120-S130 PolarHBondContact OD1-OG 3.14Å; D120-S130 WeakPolarHBondContact OD2-CB 3.39Å; D120-S130 PolarHBondContact OD2-OG 2.49Å
121	E	92.3	Very high	91.4	Very high	27 Å²	27	59.9 Å²	59.9	13%	0.126	32%	0.321	C	S	.	.			trans	-94.7	142	171.7	93.4	-166.5	164.6	0	0	113.2	R53 S117 Y118 Y126 P128	R53-E121 IonicContact CZ-OE1 2.71Å; R53-E121 IonicContact CZ-OE2 2.93Å; R53-E121 IonicContact NH1-OE2 3.28Å; R53-E121 PolarHBondContact NH1-OE2 3.24Å; R53-E121 IonicContact NH2-OE1 2.81Å; R53-E121 PolarHBondContact NH2-OE1 2.93Å; R53-E121 IonicContact NH2-OE2 2.71Å; R53-E121 PolarHBondContact NH2-OE2 2.9Å; S117-E121 WeakPolarHBondContact CA-OE1 3.17Å; S117-E121 WeakPolarHBondContact CB-OE1 3.45Å; Y118-E121 WeakPolarHBondContact CD2-OE2 3.29Å; Y118-E121 VanDerWaalsContact N-CD 3.28Å; Y118-E121 PolarHBondContact N-OE1 3.22Å; Y118-E121 WeakPolarHBondContact O-CG 3.36Å; Y118-E121 PolarHBondContact O-N 3.26Å; E121-Y126 HydrophobicContact CB-CD1 3.97Å; E121-P128 HydrophobicContact CB-CG 3.9Å
122	W	91.7	Very high	91.5	Very high	139 Å²	139	57.4 Å²	57.4	53%	0.527	30%	0.303	S	S	.	.	S	Bend	trans	-106.6	-2	177	49.8	-85.7	0	0	0	112.7	Y126 A289 Q290	W122-Y126 AromaticContact CD1-CD1 3.26Å; W122-Y126 AromaticContact CD1-CE1 3.4Å; W122-Y126 AromaticContact CD1-CG 3.57Å; W122-Y126 AromaticContact CD1-CZ 3.89Å; W122-Y126 HydrophobicContact CD2-CG 4.26Å; W122-Y126 AromaticContact CE2-CD2 3.5Å; W122-Y126 VanDerWaalsContact CE2-CD2 3.5Å; W122-Y126 AromaticContact CE2-CG 3.5Å; W122-Y126 HydrophobicContact CG-CD1 4.17Å; W122-Y126 HydrophobicContact CG-CG 4.3Å; W122-Y126 AromaticContact CZ2-CD2 3.62Å; W122-Y126 HydrophobicContact CZ2-CD2 3.62Å; W122-Y126 HydrophobicContact CZ2-CE2 4.24Å; W122-Y126 AromaticContact CZ2-CG 3.99Å; W122-Y126 HydrophobicContact CZ2-CG 3.99Å; W122-Y126 AromaticContact NE1-CD1 3.16Å; W122-Y126 AromaticContact NE1-CD2 3.07Å; W122-Y126 AromaticContact NE1-CE1 3.29Å; W122-Y126 VanDerWaalsContact NE1-CE1 3.29Å; W122-Y126 AromaticContact NE1-CE2 3.25Å; W122-Y126 AromaticContact NE1-CG 3.01Å; W122-Y126 AromaticContact NE1-CZ 3.34Å; W122-Y126 VanDerWaalsContact NE1-CZ 3.34Å; W122-A289 HydrophobicContact CH2-CB 3.42Å; W122-A289 VanDerWaalsContact CH2-CB 3.42Å; W122-A289 WeakPolarHBondContact CH2-O 3.42Å; W122-A289 HydrophobicContact CZ2-CB 3.4Å; W122-A289 VanDerWaalsContact CZ2-CB 3.4Å; W122-Q290 HydrophobicContact CH2-CB 4.36Å; W122-Q290 HydrophobicContact CH2-CG 3.73Å; W122-Q290 HydrophobicContact CZ3-CB 4.17Å; W122-Q290 HydrophobicContact CZ3-CG 3.77Å
123	G	90.7	Very high	91.7	Very high	16 Å²	16	57 Å²	57	17%	0.165	30%	0.303	C	S	.	.	S	Bend	trans	-172.9	162.8	176.4	0	0	0	0	0	112.5	K125 Y126	G123-K125 PolarHBondContact O-N 3.37Å; G123-K125 VanDerWaalsContact O-N 3.16Å; G123-Y126 PolarHBondContact O-N 3.1Å; G123-Y126 VanDerWaalsContact O-N 3.11Å
124	P	89.4	Confident	92.5	Very high	33 Å²	33	53.7 Å²	53.7	21%	0.214	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.8	-173.9	27.3	-36	0	0	0	114	R131 V293	P124-R131 PolarHBondContact O-NH1 3Å; P124-V293 HydrophobicContact CB-CG2 3.98Å; P124-V293 HydrophobicContact CG-CG2 4.01Å
125	K	91.7	Very high	92.9	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.057	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-2.7	177.1	-59.1	-57.1	167.9	-159.3	0	114.3	G123 W127 L287 Q291 E296	G123-K125 PolarHBondContact O-N 3.37Å; G123-K125 VanDerWaalsContact O-N 3.16Å; K125-W127 VanDerWaalsContact O-CD1 3.25Å; K125-L287 HydrophobicContact CD-CD1 4.43Å; K125-L287 HydrophobicContact CG-CB 4.3Å; K125-L287 HydrophobicContact CG-CD1 4.31Å; K125-Q291 WeakPolarHBondContact CB-O 3.33Å; K125-Q291 VanDerWaalsContact CG-O 3.23Å; K125-Q291 WeakPolarHBondContact CG-O 3.29Å; K125-E296 VanDerWaalsContact CE-CD 3.44Å; K125-E296 WeakPolarHBondContact CE-OE1 3.39Å; K125-E296 VanDerWaalsContact CE-OE2 3.26Å; K125-E296 WeakPolarHBondContact CE-OE2 3.5Å; K125-E296 IonicContact NZ-OE1 3.12Å; K125-E296 PolarHBondContact NZ-OE1 3.01Å; K125-E296 IonicContact NZ-OE2 3.37Å; K125-E296 PolarHBondContact NZ-OE2 2.83Å
126	Y	91.6	Very high	93.3	Very high	73 Å²	73	43.9 Å²	43.9	29%	0.286	24%	0.236	S	C	.	.			trans	-76.4	141.6	171.3	-179.7	-121.4	0	0	0	111.4	D120 E121 W122 G123 P128 R131 A289	D120-Y126 WeakPolarHBondContact O-CE1 3.45Å; E121-Y126 HydrophobicContact CB-CD1 3.97Å; W122-Y126 AromaticContact CD1-CD1 3.26Å; W122-Y126 AromaticContact CD1-CE1 3.4Å; W122-Y126 AromaticContact CD1-CG 3.57Å; W122-Y126 AromaticContact CD1-CZ 3.89Å; W122-Y126 HydrophobicContact CD2-CG 4.26Å; W122-Y126 AromaticContact CE2-CD2 3.5Å; W122-Y126 VanDerWaalsContact CE2-CD2 3.5Å; W122-Y126 AromaticContact CE2-CG 3.5Å; W122-Y126 HydrophobicContact CG-CD1 4.17Å; W122-Y126 HydrophobicContact CG-CG 4.3Å; W122-Y126 AromaticContact CZ2-CD2 3.62Å; W122-Y126 HydrophobicContact CZ2-CD2 3.62Å; W122-Y126 HydrophobicContact CZ2-CE2 4.24Å; W122-Y126 AromaticContact CZ2-CG 3.99Å; W122-Y126 HydrophobicContact CZ2-CG 3.99Å; W122-Y126 AromaticContact NE1-CD1 3.16Å; W122-Y126 AromaticContact NE1-CD2 3.07Å; W122-Y126 AromaticContact NE1-CE1 3.29Å; W122-Y126 VanDerWaalsContact NE1-CE1 3.29Å; W122-Y126 AromaticContact NE1-CE2 3.25Å; W122-Y126 AromaticContact NE1-CG 3.01Å; W122-Y126 AromaticContact NE1-CZ 3.34Å; W122-Y126 VanDerWaalsContact NE1-CZ 3.34Å; G123-Y126 PolarHBondContact O-N 3.1Å; G123-Y126 VanDerWaalsContact O-N 3.11Å; Y126-P128 VanDerWaalsContact C-CD 3.45Å; Y126-P128 HydrophobicContact CD1-CB 4.16Å; Y126-P128 HydrophobicContact CD1-CG 4.16Å; Y126-P128 HydrophobicContact CE1-CB 3.7Å; Y126-P128 HydrophobicContact CE1-CG 4.21Å; Y126-P128 WeakPolarHBondContact O-CD 3.43Å; Y126-R131 PolarHBondContact O-NH1 3.01Å; Y126-A289 HydrophobicContact CD2-CB 4.06Å
127	W	92	Very high	93.7	Very high	51 Å²	51	46.3 Å²	46.3	19%	0.193	24%	0.241	C	C	.	.			trans	-113.8	78.8	-177.8	-73.5	91.7	0	0	0	111.3	K125 R131 F132 L135 R612	K125-W127 VanDerWaalsContact O-CD1 3.25Å; W127-R131 HydrophobicContact CE3-CG 4.01Å; W127-R131 VanDerWaalsContact CZ2-NH2 3.28Å; W127-R131 HydrophobicContact CZ3-CG 4.12Å; W127-R131 VanDerWaalsContact CZ3-NE 3.35Å; W127-F132 HydrophobicContact CB-CE2 3.68Å; W127-F132 HydrophobicContact CB-CZ 3.72Å; W127-F132 HydrophobicContact CD2-CE1 4.4Å; W127-F132 HydrophobicContact CD2-CZ 4.34Å; W127-F132 HydrophobicContact CE3-CD1 4.05Å; W127-F132 AromaticContact CE3-CE1 3.75Å; W127-F132 HydrophobicContact CE3-CE1 3.75Å; W127-F132 HydrophobicContact CE3-CZ 4.06Å; W127-F132 HydrophobicContact CG-CZ 4.25Å; W127-F132 HydrophobicContact CZ3-CD1 4.5Å; W127-F132 HydrophobicContact CZ3-CE1 4.37Å; W127-F132 WeakPolarHBondContact O-CE2 3.43Å; W127-L135 HydrophobicContact CH2-CD2 4Å; W127-L135 HydrophobicContact CZ3-CD2 3.66Å; W127-R612 VanDerWaalsContact CH2-NH1 3.31Å; W127-R612 VanDerWaalsContact CZ2-CZ 3.42Å; W127-R612 VanDerWaalsContact CZ2-NH1 3.32Å; W127-R612 VanDerWaalsContact CZ2-NH2 3.3Å
128	P	94	Very high	94	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.228	C	C	.	.			trans	-73.9	162.2	175.2	30	-34.3	0	0	0	112.4	D120 E121 Y126 S130 R131 F132	D120-P128 HydrophobicContact CB-CB 4.41Å; D120-P128 WeakPolarHBondContact OD2-CB 3.37Å; E121-P128 HydrophobicContact CB-CG 3.9Å; Y126-P128 VanDerWaalsContact C-CD 3.45Å; Y126-P128 HydrophobicContact CD1-CB 4.16Å; Y126-P128 HydrophobicContact CD1-CG 4.16Å; Y126-P128 HydrophobicContact CE1-CB 3.7Å; Y126-P128 HydrophobicContact CE1-CG 4.21Å; Y126-P128 WeakPolarHBondContact O-CD 3.43Å; P128-S130 PolarHBondContact O-N 2.9Å; P128-R131 HydrophobicContact CG-CB 3.84Å; P128-R131 WeakPolarHBondContact O-CB 3.3Å; P128-R131 PolarHBondContact O-N 2.71Å; P128-R131 VanDerWaalsContact O-N 3.1Å; P128-F132 WeakPolarHBondContact O-CD2 3.34Å; P128-F132 PolarHBondContact O-N 2.82Å; P128-F132 VanDerWaalsContact O-N 3.15Å
129	P	94.1	Very high	94.3	Very high	78 Å²	78	44.3 Å²	44.3	51%	0.506	23%	0.226	S	C	.	.	H	α-helix	trans	-55.6	-33.9	175.6	-26.3	35.4	0	0	0	114.1	R131 F132 N133 F255	P129-R131 PolarHBondContact O-N 2.8Å; P129-F132 PolarHBondContact O-N 3.46Å; P129-N133 VanDerWaalsContact O-CB 3.31Å; P129-N133 WeakPolarHBondContact O-CB 3.36Å; P129-N133 PolarHBondContact O-N 3.19Å; P129-F255 HydrophobicContact CB-CD1 4.29Å; P129-F255 WeakPolarHBondContact O-CE1 3.43Å
130	S	95	Very high	94.6	Very high	35 Å²	35	38.8 Å²	38.8	25%	0.245	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-43.3	176.6	66.4	0	0	0	0	112.1	Y118 D120 P128 N133 H134	Y118-S130 WeakPolarHBondContact CD1-OG 3.23Å; D120-S130 VanDerWaalsContact OD1-CB 3.32Å; D120-S130 WeakPolarHBondContact OD1-CB 3.11Å; D120-S130 PolarHBondContact OD1-OG 3.14Å; D120-S130 WeakPolarHBondContact OD2-CB 3.39Å; D120-S130 PolarHBondContact OD2-OG 2.49Å; P128-S130 PolarHBondContact O-N 2.9Å; S130-N133 WeakPolarHBondContact O-CB 3.19Å; S130-N133 PolarHBondContact O-N 3.32Å; S130-H134 PolarHBondContact O-N 3.47Å
131	R	94.8	Very high	94.8	Very high	11 Å²	11	36.4 Å²	36.4	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-46.8	176.4	-176.6	-173.8	178.4	163.2	-0.7	111.3	R53 Y118 P124 Y126 W127 P128 P129 N133 H134 L135	R53-R131 VanDerWaalsContact NH1-CD 3.27Å; R53-R131 VanDerWaalsContact NH1-CZ 3.35Å; Y118-R131 HydrophobicContact CD1-CB 4.3Å; Y118-R131 HydrophobicContact CD2-CB 4.09Å; Y118-R131 HydrophobicContact CD2-CG 4.3Å; Y118-R131 HydrophobicContact CE1-CB 4.14Å; Y118-R131 HydrophobicContact CE2-CB 3.95Å; Y118-R131 HydrophobicContact CE2-CG 3.84Å; Y118-R131 HydrophobicContact CG-CB 4.27Å; P124-R131 PolarHBondContact O-NH1 3Å; Y126-R131 PolarHBondContact O-NH1 3.01Å; W127-R131 HydrophobicContact CE3-CG 4.01Å; W127-R131 VanDerWaalsContact CZ2-NH2 3.28Å; W127-R131 HydrophobicContact CZ3-CG 4.12Å; W127-R131 VanDerWaalsContact CZ3-NE 3.35Å; P128-R131 HydrophobicContact CG-CB 3.84Å; P128-R131 WeakPolarHBondContact O-CB 3.3Å; P128-R131 PolarHBondContact O-N 2.71Å; P128-R131 VanDerWaalsContact O-N 3.1Å; P129-R131 PolarHBondContact O-N 2.8Å; R131-N133 VanDerWaalsContact C-N 3.31Å; R131-N133 PolarHBondContact O-N 2.82Å; R131-H134 PolarHBondContact O-N 2.92Å; R131-L135 WeakPolarHBondContact O-CB 3.32Å; R131-L135 PolarHBondContact O-N 2.94Å
132	F	95.6	Very high	95.1	Very high	15 Å²	15	35.1 Å²	35.1	7%	0.066	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-44.4	174.8	-77.8	-62.6	0	0	0	112	W127 P128 P129 H134 L135 M136 F255 D256 D257	W127-F132 HydrophobicContact CB-CE2 3.68Å; W127-F132 HydrophobicContact CB-CZ 3.72Å; W127-F132 HydrophobicContact CD2-CE1 4.4Å; W127-F132 HydrophobicContact CD2-CZ 4.34Å; W127-F132 HydrophobicContact CE3-CD1 4.05Å; W127-F132 AromaticContact CE3-CE1 3.75Å; W127-F132 HydrophobicContact CE3-CE1 3.75Å; W127-F132 HydrophobicContact CE3-CZ 4.06Å; W127-F132 HydrophobicContact CG-CZ 4.25Å; W127-F132 HydrophobicContact CZ3-CD1 4.5Å; W127-F132 HydrophobicContact CZ3-CE1 4.37Å; W127-F132 WeakPolarHBondContact O-CE2 3.43Å; P128-F132 WeakPolarHBondContact O-CD2 3.34Å; P128-F132 PolarHBondContact O-N 2.82Å; P128-F132 VanDerWaalsContact O-N 3.15Å; P129-F132 PolarHBondContact O-N 3.46Å; F132-H134 PolarHBondContact O-N 2.88Å; F132-L135 PolarHBondContact O-N 2.87Å; F132-M136 HydrophobicContact CB-CE 4.43Å; F132-M136 WeakPolarHBondContact O-CB 3.43Å; F132-M136 WeakPolarHBondContact O-CG 3.35Å; F132-M136 PolarHBondContact O-N 3.13Å; F132-F255 HydrophobicContact CB-CD1 3.91Å; F132-F255 HydrophobicContact CB-CE1 3.93Å; F132-F255 VanDerWaalsContact CD2-O 3.29Å; F132-F255 WeakPolarHBondContact CD2-O 3.43Å; F132-D256 HydrophobicContact CE1-CB 4.18Å; F132-D256 VanDerWaalsContact CE1-OD2 3.3Å; F132-D256 WeakPolarHBondContact CE1-OD2 3.49Å; F132-D256 HydrophobicContact CZ-CB 4.22Å; F132-D256 VanDerWaalsContact CZ-OD2 3.23Å; F132-D256 WeakPolarHBondContact CZ-OD2 3.34Å; F132-D257 HydrophobicContact CD1-CB 4.27Å
133	N	96.5	Very high	95.4	Very high	47 Å²	47	28.5 Å²	28.5	25%	0.251	15%	0.149	S	C	.	.	H	α-helix	trans	-59.2	-47.2	178	-173.9	-7.8	0	0	0	111.3	P129 S130 R131 K137 Y245 F255	P129-N133 VanDerWaalsContact O-CB 3.31Å; P129-N133 WeakPolarHBondContact O-CB 3.36Å; P129-N133 PolarHBondContact O-N 3.19Å; S130-N133 WeakPolarHBondContact O-CB 3.19Å; S130-N133 PolarHBondContact O-N 3.32Å; R131-N133 VanDerWaalsContact C-N 3.31Å; R131-N133 PolarHBondContact O-N 2.82Å; N133-K137 WeakPolarHBondContact O-CG 3.3Å; N133-K137 PolarHBondContact O-N 2.75Å; N133-K137 VanDerWaalsContact O-N 3.1Å; N133-K137 WeakPolarHBondContact OD1-CE 3.48Å; N133-K137 PolarHBondContact OD1-NZ 3.16Å; N133-K137 VanDerWaalsContact OD1-NZ 3.15Å; N133-Y245 WeakPolarHBondContact OD1-CE2 3.29Å; N133-F255 HydrophobicContact CB-CE1 3.9Å; N133-F255 HydrophobicContact CB-CZ 4.08Å
134	H	95.9	Very high	95.8	Very high	38 Å²	38	33.4 Å²	33.4	18%	0.176	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-47	178.4	-170.3	68.7	0	0	0	112.3	D83 M112 Y118 S130 R131 F132 M136 K137 L138	D83-H134 IonicContact OD1-CD2 3.84Å; D83-H134 PolarHBondContact OD1-CD2 2.85Å; D83-H134 VanDerWaalsContact OD1-CD2 3.28Å; D83-H134 IonicContact OD1-NE2 3.17Å; M112-H134 VanDerWaalsContact CE-CE1 3.4Å; M112-H134 WeakPolarHBondContact CE-CE1 3.41Å; Y118-H134 HydrophobicContact CE1-CB 3.99Å; Y118-H134 WeakPolarHBondContact OH-CB 3.46Å; Y118-H134 PolarHBondContact OH-CD2 2.79Å; Y118-H134 VanDerWaalsContact OH-CG 3.29Å; S130-H134 PolarHBondContact O-N 3.47Å; R131-H134 PolarHBondContact O-N 2.92Å; F132-H134 PolarHBondContact O-N 2.88Å; H134-M136 VanDerWaalsContact C-N 3.34Å; H134-M136 PolarHBondContact O-N 3.41Å; H134-K137 WeakPolarHBondContact O-CB 3.25Å; H134-K137 PolarHBondContact O-N 2.76Å; H134-K137 VanDerWaalsContact O-N 3.13Å; H134-L138 WeakPolarHBondContact NE2-CD1 3.49Å; H134-L138 WeakPolarHBondContact O-CG 3.47Å; H134-L138 PolarHBondContact O-N 3.25Å
135	L	95.9	Very high	96.2	Very high	15 Å²	15	32 Å²	32	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-57.4	-46.3	177.7	178.4	62.6	0	0	0	111.8	L51 W127 R131 F132 K137 L138 R139 D257	L51-L135 HydrophobicContact CD1-CD1 3.73Å; W127-L135 HydrophobicContact CH2-CD2 4Å; W127-L135 HydrophobicContact CZ3-CD2 3.66Å; R131-L135 WeakPolarHBondContact O-CB 3.32Å; R131-L135 PolarHBondContact O-N 2.94Å; F132-L135 PolarHBondContact O-N 2.87Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 2.96Å; L135-L138 PolarHBondContact O-N 3.26Å; L135-L138 VanDerWaalsContact O-N 3.16Å; L135-R139 PolarHBondContact O-N 3.42Å; L135-D257 HydrophobicContact CD2-CB 4.29Å; L135-D257 WeakPolarHBondContact CD2-OD2 3.37Å
136	M	97.6	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-38.5	177.3	-73.9	-170.5	-73.2	0	0	112.4	F132 H134 L138 R139 Q140 F244 Y245 F255 D257 V260	F132-M136 HydrophobicContact CB-CE 4.43Å; F132-M136 WeakPolarHBondContact O-CB 3.43Å; F132-M136 WeakPolarHBondContact O-CG 3.35Å; F132-M136 PolarHBondContact O-N 3.13Å; H134-M136 VanDerWaalsContact C-N 3.34Å; H134-M136 PolarHBondContact O-N 3.41Å; M136-L138 VanDerWaalsContact C-N 3.35Å; M136-R139 PolarHBondContact O-N 3.37Å; M136-Q140 VanDerWaalsContact O-CB 3.26Å; M136-Q140 WeakPolarHBondContact O-CB 3.3Å; M136-Q140 PolarHBondContact O-N 2.64Å; M136-F244 HydrophobicContact CB-CB 4.49Å; M136-Y245 HydrophobicContact CB-CD2 4.28Å; M136-F255 HydrophobicContact CE-CD1 4.11Å; M136-F255 HydrophobicContact CE-CD2 4.26Å; M136-F255 HydrophobicContact CE-CE1 3.41Å; M136-F255 VanDerWaalsContact CE-CE1 3.41Å; M136-F255 HydrophobicContact CE-CE2 3.6Å; M136-F255 HydrophobicContact CE-CZ 3.14Å; M136-D257 HydrophobicContact CG-CB 3.59Å; M136-D257 HydrophobicContact SD-CB 4.33Å; M136-V260 HydrophobicContact SD-CB 3.8Å; M136-V260 HydrophobicContact SD-CG1 3.79Å; M136-V260 HydrophobicContact SD-CG2 3.91Å
137	K	98	Very high	96.8	Very high	90 Å²	90	31.7 Å²	31.7	39%	0.391	16%	0.155	S	C	.	.	H	α-helix	trans	-63.1	-39.6	173.3	-75.7	169.8	176	166.8	0	112.1	N133 H134 L135 Q140 A141 Y245	N133-K137 WeakPolarHBondContact O-CG 3.3Å; N133-K137 PolarHBondContact O-N 2.75Å; N133-K137 VanDerWaalsContact O-N 3.1Å; N133-K137 WeakPolarHBondContact OD1-CE 3.48Å; N133-K137 PolarHBondContact OD1-NZ 3.16Å; N133-K137 VanDerWaalsContact OD1-NZ 3.15Å; H134-K137 WeakPolarHBondContact O-CB 3.25Å; H134-K137 PolarHBondContact O-N 2.76Å; H134-K137 VanDerWaalsContact O-N 3.13Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 2.96Å; K137-Q140 PolarHBondContact O-N 2.96Å; K137-A141 WeakPolarHBondContact O-CB 3.31Å; K137-A141 PolarHBondContact O-N 2.91Å; K137-Y245 HydrophobicContact CD-CE1 4.28Å; K137-Y245 VanDerWaalsContact CE-OH 3.31Å; K137-Y245 WeakPolarHBondContact CE-OH 3.34Å; K137-Y245 HydrophobicContact CG-CD1 3.64Å; K137-Y245 HydrophobicContact CG-CD2 4.04Å; K137-Y245 HydrophobicContact CG-CE1 3.85Å; K137-Y245 HydrophobicContact CG-CE2 4.24Å; K137-Y245 HydrophobicContact CG-CG 3.74Å
138	L	97.9	Very high	97.1	Very high	19 Å²	19	34.9 Å²	34.9	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-47.9	175.4	-67.6	178.5	0	0	0	111.6	L51 W79 A81 D83 H134 L135 M136 Q140 A141 A142	L51-L138 HydrophobicContact CD2-CB 3.76Å; L51-L138 HydrophobicContact CD2-CD1 4.06Å; L51-L138 HydrophobicContact CD2-CG 4.5Å; W79-L138 HydrophobicContact CH2-CB 4.27Å; W79-L138 HydrophobicContact CH2-CD2 4.29Å; W79-L138 WeakPolarHBondContact CH2-O 3.01Å; A81-L138 HydrophobicContact CB-CD1 4.42Å; A81-L138 HydrophobicContact CB-CD2 4.14Å; D83-L138 HydrophobicContact CB-CD1 4.32Å; H134-L138 WeakPolarHBondContact NE2-CD1 3.49Å; H134-L138 WeakPolarHBondContact O-CG 3.47Å; H134-L138 PolarHBondContact O-N 3.25Å; L135-L138 PolarHBondContact O-N 3.26Å; L135-L138 VanDerWaalsContact O-N 3.16Å; M136-L138 VanDerWaalsContact C-N 3.35Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 3.35Å; L138-A141 WeakPolarHBondContact O-CB 3.36Å; L138-A141 PolarHBondContact O-N 2.94Å; L138-A141 VanDerWaalsContact O-N 3.13Å; L138-A142 PolarHBondContact O-N 2.57Å
139	R	98.3	Very high	97.2	Very high	11 Å²	11	40 Å²	40	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-41.5	174.8	-70.6	-172.1	-178	-76.9	-2.6	111.5	L51 L135 M136 A142 L143 F156 D158 F244 D257	L51-R139 HydrophobicContact CD1-CG 3.55Å; L135-R139 PolarHBondContact O-N 3.42Å; M136-R139 PolarHBondContact O-N 3.37Å; R139-A142 PolarHBondContact O-N 2.63Å; R139-L143 PolarHBondContact O-N 3.22Å; R139-F156 HydrophobicContact CB-CE1 4.1Å; R139-F156 HydrophobicContact CG-CD1 4.49Å; R139-F156 HydrophobicContact CG-CE1 4.3Å; R139-D158 IonicContact CZ-OD1 3.87Å; R139-D158 IonicContact NH1-OD1 3.51Å; R139-D158 IonicContact NH2-OD1 3.02Å; R139-D158 PolarHBondContact NH2-OD1 2.91Å; R139-D158 IonicContact NH2-OD2 3.7Å; R139-F244 HydrophobicContact CB-CB 4.05Å; R139-F244 HydrophobicContact CB-CD1 3.76Å; R139-F244 HydrophobicContact CB-CD2 3.8Å; R139-F244 HydrophobicContact CB-CE1 4.14Å; R139-F244 HydrophobicContact CB-CE2 4.17Å; R139-F244 HydrophobicContact CB-CG 3.59Å; R139-F244 HydrophobicContact CB-CZ 4.33Å; R139-F244 HydrophobicContact CG-CD1 4.34Å; R139-F244 HydrophobicContact CG-CE1 4.45Å; R139-D257 IonicContact CZ-OD2 2.89Å; R139-D257 IonicContact NE-OD2 3.07Å; R139-D257 PolarHBondContact NE-OD2 3.45Å; R139-D257 IonicContact NH2-OD2 3.26Å
140	Q	98.6	Very high	97.3	Very high	33 Å²	33	46.2 Å²	46.2	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-41.6	175.3	-175.9	61.8	52.4	0	0	112.4	M136 K137 L138 A142 L143 K144 A243 F244 Y245	M136-Q140 VanDerWaalsContact O-CB 3.26Å; M136-Q140 WeakPolarHBondContact O-CB 3.3Å; M136-Q140 PolarHBondContact O-N 2.64Å; K137-Q140 PolarHBondContact O-N 2.96Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 3.35Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-L143 PolarHBondContact O-N 2.79Å; Q140-K144 WeakPolarHBondContact O-CB 3.42Å; Q140-K144 PolarHBondContact O-N 3.18Å; Q140-A243 VanDerWaalsContact OE1-CA 3.29Å; Q140-F244 HydrophobicContact CB-CB 4.21Å; Q140-Y245 VanDerWaalsContact CG-O 3.28Å; Q140-Y245 WeakPolarHBondContact CG-O 3.27Å; Q140-Y245 VanDerWaalsContact OE1-N 3.09Å; Q140-Y245 PolarHBondContact OE1-O 3.03Å
141	A	98.6	Very high	97.5	Very high	20 Å²	20	45.1 Å²	45.1	17%	0.165	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-41	177.7	0	0	0	0	0	111.5	W79 K137 L138 K144 A145	W79-A141 HydrophobicContact CH2-CB 4.43Å; W79-A141 HydrophobicContact CZ2-CB 3.85Å; K137-A141 WeakPolarHBondContact O-CB 3.31Å; K137-A141 PolarHBondContact O-N 2.91Å; L138-A141 WeakPolarHBondContact O-CB 3.36Å; L138-A141 PolarHBondContact O-N 2.94Å; L138-A141 VanDerWaalsContact O-N 3.13Å; A141-K144 PolarHBondContact O-N 3.35Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.07Å
142	A	98.6	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-46.5	173.9	0	0	0	0	0	111.9	A49 W79 L138 R139 Q140 K144 A145 A146 I154 F156	A49-A142 HydrophobicContact CB-CB 3.83Å; W79-A142 HydrophobicContact CD2-CB 3.61Å; W79-A142 HydrophobicContact CE3-CB 3.5Å; W79-A142 HydrophobicContact CG-CB 4.18Å; W79-A142 HydrophobicContact CH2-CB 4.13Å; W79-A142 HydrophobicContact CZ2-CB 4.22Å; W79-A142 HydrophobicContact CZ3-CB 3.79Å; L138-A142 PolarHBondContact O-N 2.57Å; R139-A142 PolarHBondContact O-N 2.63Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.14Å; A142-A145 PolarHBondContact O-N 3.38Å; A142-A146 PolarHBondContact O-N 3.46Å; A142-I154 HydrophobicContact CB-CD1 4.32Å; A142-F156 HydrophobicContact CB-CE1 4.13Å
143	L	98.7	Very high	97.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-43.2	176.5	-179.8	58.6	0	0	0	111.9	R139 Q140 A146 R147 I154 F156 L232 L234 F244	R139-L143 PolarHBondContact O-N 3.22Å; Q140-L143 PolarHBondContact O-N 2.79Å; L143-A146 PolarHBondContact O-N 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.26Å; L143-R147 PolarHBondContact O-N 3.05Å; L143-I154 HydrophobicContact CD1-CG2 4.12Å; L143-F156 HydrophobicContact CB-CZ 4.29Å; L143-L232 HydrophobicContact CD1-CD2 3.77Å; L143-L234 HydrophobicContact CD1-CD2 3.68Å; L143-F244 HydrophobicContact CD2-CD2 4.16Å; L143-F244 HydrophobicContact CD2-CE2 4.15Å
144	K	98.4	Very high	98	Very high	119 Å²	119	44 Å²	44	52%	0.517	19%	0.193	S	C	.	.	H	α-helix	trans	-63.4	-46.7	176.3	-179.3	175.2	169.5	178.7	0	111.2	Q140 A141 A142 A146 R147 E148	Q140-K144 WeakPolarHBondContact O-CB 3.42Å; Q140-K144 PolarHBondContact O-N 3.18Å; A141-K144 PolarHBondContact O-N 3.35Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.14Å; K144-A146 VanDerWaalsContact C-N 3.32Å; K144-A146 PolarHBondContact O-N 3.01Å; K144-R147 PolarHBondContact O-N 3.28Å; K144-E148 WeakPolarHBondContact CE-OE1 3.23Å; K144-E148 HydrophobicContact CG-CG 4.31Å; K144-E148 IonicContact NZ-OE1 3.7Å; K144-E148 WeakPolarHBondContact O-CG 3.21Å; K144-E148 PolarHBondContact O-N 3.02Å
145	A	98.5	Very high	98.1	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-41.3	177.5	0	0	0	0	0	111.9	M47 A141 A142 R147 E148 R149	M47-A145 HydrophobicContact CE-CB 4.49Å; M47-A145 HydrophobicContact SD-CB 4.34Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.07Å; A142-A145 PolarHBondContact O-N 3.38Å; A145-R147 PolarHBondContact O-N 2.86Å; A145-E148 PolarHBondContact O-N 3.38Å; A145-R149 WeakPolarHBondContact O-CB 3.38Å; A145-R149 WeakPolarHBondContact O-CG 3.36Å; A145-R149 PolarHBondContact O-N 3.25Å
146	A	98.6	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-44.7	175.9	0	0	0	0	0	112.3	M47 A142 L143 K144 R149 W150 A151 I154 L234	M47-A146 HydrophobicContact CB-CB 4.01Å; M47-A146 HydrophobicContact CE-CB 4.36Å; M47-A146 HydrophobicContact CG-CB 4.37Å; M47-A146 VanDerWaalsContact SD-CA 3.59Å; M47-A146 HydrophobicContact SD-CB 3.62Å; A142-A146 PolarHBondContact O-N 3.46Å; L143-A146 PolarHBondContact O-N 3.28Å; K144-A146 VanDerWaalsContact C-N 3.32Å; K144-A146 PolarHBondContact O-N 3.01Å; A146-R149 PolarHBondContact O-N 3.36Å; A146-W150 PolarHBondContact O-N 3.2Å; A146-A151 HydrophobicContact CB-CB 4.14Å; A146-A151 WeakPolarHBondContact O-CB 3.31Å; A146-A151 PolarHBondContact O-N 2.87Å; A146-I154 HydrophobicContact CB-CB 4.1Å; A146-I154 HydrophobicContact CB-CD1 3.89Å; A146-I154 HydrophobicContact CB-CG1 4.34Å; A146-L234 HydrophobicContact CB-CD1 3.66Å
147	R	98.2	Very high	98.2	Very high	80 Å²	80	41.6 Å²	41.6	30%	0.302	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-47.4	176.4	-69.5	174.6	179.6	159.9	3.1	111.8	L143 K144 A145 R149 W150 L234 S239 R240 L242	L143-R147 WeakPolarHBondContact O-CG 3.26Å; L143-R147 PolarHBondContact O-N 3.05Å; K144-R147 PolarHBondContact O-N 3.28Å; A145-R147 PolarHBondContact O-N 2.86Å; R147-R149 PolarHBondContact O-N 3.12Å; R147-W150 PolarHBondContact O-N 3.01Å; R147-W150 VanDerWaalsContact O-N 3.09Å; R147-L234 HydrophobicContact CG-CD1 4.48Å; R147-L234 HydrophobicContact CG-CD2 4.45Å; R147-S239 PolarHBondContact NH2-O 3.45Å; R147-R240 PolarHBondContact NH2-O 3.01Å; R147-L242 PolarHBondContact NH2-O 2.92Å
148	E	97.6	Very high	98.1	Very high	118 Å²	118	38.4 Å²	38.4	55%	0.551	17%	0.169	S	C	*	.	H	α-helix	trans	-63.1	-27.3	179.7	-72.6	175.6	160.8	0	0	113	K144 A145	K144-E148 WeakPolarHBondContact CE-OE1 3.23Å; K144-E148 HydrophobicContact CG-CG 4.31Å; K144-E148 IonicContact NZ-OE1 3.7Å; K144-E148 WeakPolarHBondContact O-CG 3.21Å; K144-E148 PolarHBondContact O-N 3.02Å; A145-E148 PolarHBondContact O-N 3.38Å
149	R	96.4	Very high	98.1	Very high	108 Å²	108	38 Å²	38	41%	0.408	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	8.4	178.8	-58.2	-70.7	-91.4	121.1	-3.6	113	M47 Y106 A145 A146 R147 A151	M47-R149 HydrophobicContact CE-CB 4.41Å; M47-R149 HydrophobicContact CE-CG 4.43Å; Y106-R149 VanDerWaalsContact CE2-NH2 3.3Å; A145-R149 WeakPolarHBondContact O-CB 3.38Å; A145-R149 WeakPolarHBondContact O-CG 3.36Å; A145-R149 PolarHBondContact O-N 3.25Å; A146-R149 PolarHBondContact O-N 3.36Å; R147-R149 PolarHBondContact O-N 3.12Å; R149-A151 VanDerWaalsContact C-N 3.26Å; R149-A151 PolarHBondContact O-N 3.42Å
150	W	96.6	Very high	97.9	Very high	209 Å²	209	39.3 Å²	39.3	79%	0.792	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	43.8	179.2	-56.3	86.6	0	0	0	112.2	K45 A146 R147	K45-W150 WeakPolarHBondContact CE-O 3.4Å; K45-W150 PolarHBondContact NZ-O 2.71Å; A146-W150 PolarHBondContact O-N 3.2Å; R147-W150 PolarHBondContact O-N 3.01Å; R147-W150 VanDerWaalsContact O-N 3.09Å
151	A	98.4	Very high	97.9	Very high	13 Å²	13	37.8 Å²	37.8	11%	0.107	17%	0.168	C	C	.	.			trans	-71.3	139.6	166.5	0	0	0	0	0	109	M47 A146 R149 L234	M47-A151 HydrophobicContact CB-CB 4.19Å; A146-A151 HydrophobicContact CB-CB 4.14Å; A146-A151 WeakPolarHBondContact O-CB 3.31Å; A146-A151 PolarHBondContact O-N 2.87Å; R149-A151 VanDerWaalsContact C-N 3.26Å; R149-A151 PolarHBondContact O-N 3.42Å; A151-L234 HydrophobicContact CB-CD1 4.37Å
152	D	98.7	Very high	97.8	Very high	41 Å²	41	36.9 Å²	36.9	22%	0.219	16%	0.16	C	C	.	.	S	Bend	trans	-78	-33.4	175.4	-65	-61	0	0	0	110.8	P44 K45 L234 R235	P44-D152 WeakPolarHBondContact CA-OD2 3.26Å; P44-D152 HydrophobicContact CB-CB 3.71Å; K45-D152 PolarHBondContact N-OD2 2.94Å; K45-D152 WeakPolarHBondContact O-CA 3.41Å; K45-D152 WeakPolarHBondContact O-CB 3.46Å; K45-D152 PolarHBondContact O-N 2.88Å; D152-L234 WeakPolarHBondContact O-CB 3.39Å; D152-L234 PolarHBondContact O-N 3.15Å; D152-R235 HydrophobicContact CB-CG 3.97Å; D152-R235 WeakPolarHBondContact OD1-CD 3.41Å
153	Y	98.9	Very high	97.8	Very high	9 Å²	9	37 Å²	37	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156	178.2	-66.7	-96.6	0	0	0	111.7	P44 K45 V46 M47 M173 L231 L232 D233 R235	P44-Y153 HydrophobicContact CB-CD2 3.66Å; P44-Y153 HydrophobicContact CB-CE2 3.57Å; P44-Y153 HydrophobicContact CG-CD2 4.33Å; P44-Y153 HydrophobicContact CG-CE2 3.74Å; K45-Y153 PolarHBondContact O-N 2.88Å; V46-Y153 CarbonylContact C-O 3.48Å; V46-Y153 WeakPolarHBondContact CA-O 3.22Å; M47-Y153 PolarHBondContact N-O 2.9Å; Y153-M173 HydrophobicContact CD1-CE 4.43Å; Y153-M173 HydrophobicContact CD1-CG 4.27Å; Y153-M173 HydrophobicContact CD2-CE 3.73Å; Y153-M173 HydrophobicContact CD2-CG 4.35Å; Y153-M173 HydrophobicContact CD2-SD 4.12Å; Y153-M173 HydrophobicContact CE1-CG 3.85Å; Y153-M173 HydrophobicContact CE2-CE 4.17Å; Y153-M173 HydrophobicContact CE2-CG 3.95Å; Y153-M173 HydrophobicContact CE2-SD 3.94Å; Y153-M173 HydrophobicContact CG-CE 3.85Å; Y153-M173 HydrophobicContact CG-CG 4.48Å; Y153-L231 HydrophobicContact CD1-CD1 4.23Å; Y153-L231 HydrophobicContact CD1-CD2 3.9Å; Y153-L231 HydrophobicContact CD1-CG 3.9Å; Y153-L231 HydrophobicContact CE1-CD2 4.22Å; Y153-L231 HydrophobicContact CG-CD1 4.45Å; Y153-L232 CarbonylContact C-O 3.55Å; Y153-L232 VanDerWaalsContact CA-O 3.24Å; Y153-L232 WeakPolarHBondContact CA-O 3.39Å; Y153-D233 HydrophobicContact CD1-CB 3.85Å; Y153-D233 HydrophobicContact CE1-CB 3.53Å; Y153-R235 VanDerWaalsContact CZ-NH2 3.3Å; Y153-R235 PolarHBondContact OH-NH2 3.25Å
154	I	98.9	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.1	163.9	-175.2	174.4	0	0	0	110	M47 A49 A142 L143 A146 F156 L232 L234	M47-I154 HydrophobicContact CB-CG1 4.29Å; M47-I154 CarbonylContact O-C 3.59Å; M47-I154 VanDerWaalsContact O-CA 3.25Å; M47-I154 WeakPolarHBondContact O-CA 3.44Å; A49-I154 HydrophobicContact CB-CD1 4.26Å; A142-I154 HydrophobicContact CB-CD1 4.32Å; L143-I154 HydrophobicContact CD1-CG2 4.12Å; A146-I154 HydrophobicContact CB-CB 4.1Å; A146-I154 HydrophobicContact CB-CD1 3.89Å; A146-I154 HydrophobicContact CB-CG1 4.34Å; I154-F156 HydrophobicContact CD1-CD2 4.44Å; I154-F156 HydrophobicContact CD1-CE1 4.17Å; I154-F156 HydrophobicContact CD1-CE2 3.7Å; I154-F156 HydrophobicContact CD1-CZ 3.54Å; I154-F156 HydrophobicContact CG1-CD2 4.34Å; I154-F156 HydrophobicContact CG1-CE2 3.99Å; I154-F156 HydrophobicContact CG1-CZ 4.3Å; I154-F156 HydrophobicContact CG2-CD2 4.48Å; I154-F156 HydrophobicContact CG2-CE2 3.9Å; I154-L232 HydrophobicContact CG2-CB 3.82Å; I154-L232 HydrophobicContact CG2-CD2 4Å; I154-L232 HydrophobicContact CG2-CG 4.2Å; I154-L232 PolarHBondContact N-O 3.32Å; I154-L232 PolarHBondContact O-N 3.24Å; I154-L234 HydrophobicContact CB-CD1 4.2Å; I154-L234 HydrophobicContact CG2-CD1 4.06Å; I154-L234 HydrophobicContact CG2-CD2 4.02Å; I154-L234 HydrophobicContact CG2-CG 4.14Å
155	L	98.9	Very high	97.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118	169.7	177.9	70.3	0	0	0	108.1	V46 M47 I48 A49 A157 L163 L169 T229 L231	V46-L155 HydrophobicContact CG2-CB 4.46Å; M47-L155 PolarHBondContact O-N 2.81Å; I48-L155 WeakPolarHBondContact CA-O 3.45Å; I48-L155 HydrophobicContact CD1-CD2 4.45Å; I48-L155 HydrophobicContact CG1-CB 4.34Å; I48-L155 HydrophobicContact CG1-CD2 4.26Å; I48-L155 HydrophobicContact CG2-CD2 4.37Å; A49-L155 PolarHBondContact N-O 3.4Å; L155-A157 HydrophobicContact CD2-CB 4.43Å; L155-A157 HydrophobicContact CG-CB 4.37Å; L155-L163 HydrophobicContact CD2-CD1 4.06Å; L155-L169 HydrophobicContact CB-CD2 4.37Å; L155-L169 HydrophobicContact CD2-CD2 4.02Å; L155-T229 HydrophobicContact CD1-CG2 4.13Å; L155-L231 HydrophobicContact CB-CD1 3.98Å; L155-L231 HydrophobicContact CD1-CB 4.37Å; L155-L231 HydrophobicContact CD1-CD1 4.38Å
156	F	98.6	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.7	162	-69.8	-87.3	0	0	0	107.8	A49 R139 A142 L143 I154 T229 F230 F244	A49-F156 HydrophobicContact CB-CD1 3.76Å; A49-F156 HydrophobicContact CB-CE1 3.92Å; A49-F156 HydrophobicContact CB-CG 4.46Å; R139-F156 HydrophobicContact CB-CE1 4.1Å; R139-F156 HydrophobicContact CG-CD1 4.49Å; R139-F156 HydrophobicContact CG-CE1 4.3Å; A142-F156 HydrophobicContact CB-CE1 4.13Å; L143-F156 HydrophobicContact CB-CZ 4.29Å; I154-F156 HydrophobicContact CD1-CD2 4.44Å; I154-F156 HydrophobicContact CD1-CE1 4.17Å; I154-F156 HydrophobicContact CD1-CE2 3.7Å; I154-F156 HydrophobicContact CD1-CZ 3.54Å; I154-F156 HydrophobicContact CG1-CD2 4.34Å; I154-F156 HydrophobicContact CG1-CE2 3.99Å; I154-F156 HydrophobicContact CG1-CZ 4.3Å; I154-F156 HydrophobicContact CG2-CD2 4.48Å; I154-F156 HydrophobicContact CG2-CE2 3.9Å; F156-T229 WeakPolarHBondContact O-CA 3.42Å; F156-F230 HydrophobicContact CB-CD1 4.49Å; F156-F230 HydrophobicContact CB-CD2 4.46Å; F156-F230 HydrophobicContact CB-CE1 4.08Å; F156-F230 HydrophobicContact CB-CE2 4.08Å; F156-F230 HydrophobicContact CB-CZ 3.87Å; F156-F230 HydrophobicContact CD2-CD2 4.09Å; F156-F230 AromaticContact CD2-CE2 3.35Å; F156-F230 HydrophobicContact CD2-CE2 3.35Å; F156-F230 AromaticContact CD2-CZ 3.71Å; F156-F230 HydrophobicContact CD2-CZ 3.71Å; F156-F230 HydrophobicContact CE2-CE2 4.06Å; F156-F230 HydrophobicContact CE2-CZ 4.48Å; F156-F230 AromaticContact CG-CE2 3.97Å; F156-F230 HydrophobicContact CG-CE2 3.97Å; F156-F230 AromaticContact CG-CZ 3.88Å; F156-F230 HydrophobicContact CG-CZ 3.88Å; F156-F230 PolarHBondContact N-O 3.14Å; F156-F230 PolarHBondContact O-N 3.42Å; F156-F244 HydrophobicContact CD2-CZ 4.37Å; F156-F244 HydrophobicContact CE1-CE2 4.17Å; F156-F244 HydrophobicContact CE1-CZ 4.29Å; F156-F244 AromaticContact CE2-CE2 3.82Å; F156-F244 HydrophobicContact CE2-CE2 3.82Å; F156-F244 AromaticContact CE2-CZ 3.91Å; F156-F244 HydrophobicContact CE2-CZ 3.91Å; F156-F244 HydrophobicContact CZ-CD2 4.46Å; F156-F244 AromaticContact CZ-CE2 3.51Å; F156-F244 HydrophobicContact CZ-CE2 3.51Å; F156-F244 AromaticContact CZ-CZ 3.86Å; F156-F244 HydrophobicContact CZ-CZ 3.86Å
157	A	96.8	Very high	97.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	108	176.1	0	0	0	0	0	109.5	A49 Y62 L155 T229	A49-A157 PolarHBondContact O-N 2.91Å; Y62-A157 HydrophobicContact CE2-CB 4.19Å; Y62-A157 PolarHBondContact OH-O 2.71Å; L155-A157 HydrophobicContact CD2-CB 4.43Å; L155-A157 HydrophobicContact CG-CB 4.37Å; A157-T229 HydrophobicContact CB-CG2 4.25Å
158	D	96.4	Very high	97.5	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.123	16%	0.161	C	C	.	.			trans	-56.2	143.1	174.7	-68.6	-1.8	0	0	0	110.6	Y62 R139 D160 N161 S228	Y62-D158 WeakPolarHBondContact CE2-O 3.48Å; R139-D158 IonicContact CZ-OD1 3.87Å; R139-D158 IonicContact NH1-OD1 3.51Å; R139-D158 IonicContact NH2-OD1 3.02Å; R139-D158 PolarHBondContact NH2-OD1 2.91Å; R139-D158 IonicContact NH2-OD2 3.7Å; D158-D160 WeakPolarHBondContact CB-OD1 3.43Å; D158-D160 PolarHBondContact O-N 3.35Å; D158-N161 WeakPolarHBondContact O-CB 3.23Å; D158-N161 PolarHBondContact O-N 3.44Å; D158-S228 PolarHBondContact N-O 2.94Å; D158-S228 WeakPolarHBondContact OD2-CA 3.32Å; D158-S228 WeakPolarHBondContact OD2-CB 3.3Å; D158-S228 PolarHBondContact OD2-OG 3.25Å; D158-S228 VanDerWaalsContact OD2-OG 3.08Å
159	S	96.6	Very high	97.5	Very high	11 Å²	11	30.3 Å²	30.3	8%	0.077	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	1.4	-166.9	56.8	0	0	0	0	115.8	L51 A55 S58 Y62	L51-S159 WeakPolarHBondContact O-CB 3.29Å; L51-S159 PolarHBondContact O-OG 3.4Å; A55-S159 WeakPolarHBondContact CB-OG 3.21Å; S58-S159 WeakPolarHBondContact CB-O 3.42Å; S58-S159 PolarHBondContact OG-O 2.9Å; Y62-S159 WeakPolarHBondContact CB-O 3.47Å
160	D	95.6	Very high	97.6	Very high	37 Å²	37	27.6 Å²	27.6	20%	0.198	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	3.6	177	58.6	-17.3	0	0	0	112.4	D158 P284 F300	D158-D160 WeakPolarHBondContact CB-OD1 3.43Å; D158-D160 PolarHBondContact O-N 3.35Å; D160-P284 HydrophobicContact CB-CG 3.93Å; D160-P284 VanDerWaalsContact O-CD 3.26Å; D160-P284 WeakPolarHBondContact O-CD 3.39Å; D160-P284 VanDerWaalsContact OD2-CG 3.28Å; D160-P284 WeakPolarHBondContact OD2-CG 3.4Å; D160-F300 HydrophobicContact CB-CD2 4.34Å; D160-F300 HydrophobicContact CB-CE2 4.18Å; D160-F300 WeakPolarHBondContact O-CE2 3.32Å
161	N	97.4	Very high	97.7	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.011	11%	0.105	C	C	.	.			trans	-92.6	112.6	177.4	-76	15.4	0	0	0	111.6	Y62 D158 L163 M184 S228 T229 F282 L283	Y62-N161 VanDerWaalsContact CD2-O 3.29Å; Y62-N161 WeakPolarHBondContact CD2-O 3.37Å; D158-N161 WeakPolarHBondContact O-CB 3.23Å; D158-N161 PolarHBondContact O-N 3.44Å; N161-L163 PolarHBondContact O-N 3.46Å; N161-M184 HydrophobicContact CB-CE 4.06Å; N161-S228 VanDerWaalsContact ND2-CB 3.33Å; N161-S228 WeakPolarHBondContact ND2-CB 3.4Å; N161-T229 WeakPolarHBondContact CB-OG1 3.37Å; N161-T229 PolarHBondContact ND2-OG1 3.21Å; N161-F282 CarbonylContact C-O 3.49Å; N161-L283 WeakPolarHBondContact OD1-CB 3.49Å
162	L	97.4	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-86	96.5	-176.4	-62.6	178.1	0	0	0	110.9	H61 T164 G281 F282 F300 T303 I304 A307 M313	H61-L162 HydrophobicContact CB-CD2 3.81Å; L162-T164 VanDerWaalsContact C-N 3.32Å; L162-T164 HydrophobicContact CB-CG2 4.43Å; L162-T164 PolarHBondContact O-N 3.38Å; L162-G281 CarbonylContact O-C 3.54Å; L162-G281 WeakPolarHBondContact O-CA 3.4Å; L162-F282 HydrophobicContact CB-CB 4.34Å; L162-F282 PolarHBondContact N-O 2.66Å; L162-F282 PolarHBondContact O-N 2.91Å; L162-F300 HydrophobicContact CD1-CE2 4.4Å; L162-F300 HydrophobicContact CD1-CZ 4.2Å; L162-F300 HydrophobicContact CD2-CE2 4.33Å; L162-F300 HydrophobicContact CD2-CZ 3.77Å; L162-F300 HydrophobicContact CG-CE2 4.27Å; L162-F300 HydrophobicContact CG-CZ 4.13Å; L162-T303 HydrophobicContact CD1-CG2 4.04Å; L162-I304 HydrophobicContact CD1-CG1 4.29Å; L162-A307 HydrophobicContact CD1-CB 4.42Å; L162-M313 HydrophobicContact CB-CE 4.12Å; L162-M313 HydrophobicContact CD1-CE 3.77Å; L162-M313 HydrophobicContact CD1-SD 4.24Å; L162-M313 HydrophobicContact CD2-CE 3.8Å; L162-M313 HydrophobicContact CG-CE 4.1Å
163	L	97.3	Very high	97.7	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.094	C	C	.	.			trans	-74	80	172.9	-63.7	175.6	0	0	0	111.2	C65 I66 L155 N161 N165 V168 P182 M184 T229 Y280	C65-L163 HydrophobicContact CB-CB 4.36Å; C65-L163 WeakPolarHBondContact CB-O 3.43Å; I66-L163 HydrophobicContact CD1-CD1 4.28Å; L155-L163 HydrophobicContact CD2-CD1 4.06Å; N161-L163 PolarHBondContact O-N 3.46Å; L163-N165 VanDerWaalsContact C-N 3.3Å; L163-N165 PolarHBondContact O-N 3.06Å; L163-V168 HydrophobicContact CD1-CG1 4.31Å; L163-V168 HydrophobicContact CD2-CG2 4.5Å; L163-P182 HydrophobicContact CD2-CG 4.42Å; L163-M184 HydrophobicContact CD2-CE 4.07Å; L163-M184 HydrophobicContact CD2-SD 3.95Å; L163-T229 HydrophobicContact CD2-CG2 3.94Å; L163-Y280 CarbonylContact C-O 3.54Å
164	T	96.4	Very high	97.6	Very high	17 Å²	17	21.3 Å²	21.3	10%	0.104	12%	0.124	C	C	.	.			trans	-70.3	-25.3	-176.7	55.6	0	0	0	0	113.1	L162 P166 Y280 G281 F282 A307 H311 M313	L162-T164 VanDerWaalsContact C-N 3.32Å; L162-T164 HydrophobicContact CB-CG2 4.43Å; L162-T164 PolarHBondContact O-N 3.38Å; T164-P166 VanDerWaalsContact O-CD 3.31Å; T164-P166 WeakPolarHBondContact O-CD 3.39Å; T164-Y280 PolarHBondContact N-O 2.59Å; T164-G281 WeakPolarHBondContact OG1-CA 3.33Å; T164-F282 HydrophobicContact CG2-CD2 3.74Å; T164-F282 HydrophobicContact CG2-CE2 4Å; T164-A307 HydrophobicContact CG2-CB 4.32Å; T164-H311 HydrophobicContact CG2-CB 4.35Å; T164-M313 HydrophobicContact CG2-CE 4.34Å; T164-M313 HydrophobicContact CG2-CG 4.22Å; T164-M313 HydrophobicContact CG2-SD 3.54Å; T164-M313 VanDerWaalsContact CG2-SD 3.54Å
165	N	96.8	Very high	97.6	Very high	14 Å²	14	23.8 Å²	23.8	8%	0.075	14%	0.136	C	C	.	.			trans	-86.1	110	176.2	-169.3	-34.5	0	0	0	110.9	L163 R167 V168 E278 H279 Y280	L163-N165 VanDerWaalsContact C-N 3.3Å; L163-N165 PolarHBondContact O-N 3.06Å; N165-R167 PolarHBondContact O-N 2.95Å; N165-R167 VanDerWaalsContact O-N 3.14Å; N165-R167 WeakPolarHBondContact OD1-CB 3.4Å; N165-R167 PolarHBondContact OD1-N 3.37Å; N165-V168 WeakPolarHBondContact O-CB 3.47Å; N165-V168 WeakPolarHBondContact O-CG1 3.47Å; N165-V168 PolarHBondContact O-N 3.48Å; N165-E278 PolarHBondContact ND2-OE2 2.76Å; N165-H279 WeakPolarHBondContact CB-O 3.35Å; N165-H279 PolarHBondContact ND2-O 2.88Å; N165-H279 VanDerWaalsContact ND2-O 3.14Å; N165-Y280 PolarHBondContact N-O 2.8Å; N165-Y280 VanDerWaalsContact N-O 3.14Å
166	P	97.1	Very high	97.5	Very high	37 Å²	37	28.3 Å²	28.3	24%	0.24	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.2	-174.9	29.1	-35.8	0	0	0	112.9	R68 L69 E70 T164	R68-P166 WeakPolarHBondContact O-CB 3.25Å; L69-P166 CarbonylContact C-O 3.59Å; L69-P166 WeakPolarHBondContact CA-O 3.26Å; E70-P166 HydrophobicContact CB-CB 4.28Å; E70-P166 HydrophobicContact CG-CB 3.91Å; E70-P166 HydrophobicContact CG-CG 4.29Å; E70-P166 PolarHBondContact N-O 3.4Å; E70-P166 VanDerWaalsContact OE1-CG 3.28Å; E70-P166 WeakPolarHBondContact OE1-CG 3.49Å; T164-P166 VanDerWaalsContact O-CD 3.31Å; T164-P166 WeakPolarHBondContact O-CD 3.39Å
167	R	97.9	Very high	97.5	Very high	107 Å²	107	30 Å²	30	40%	0.404	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	3.9	-177.7	-57	179.6	-55	176	9.2	113.5	E70 N165 L169 S170 L171 E278	E70-R167 HydrophobicContact CB-CG 4.42Å; E70-R167 VanDerWaalsContact OE2-CG 3.27Å; E70-R167 WeakPolarHBondContact OE2-CG 3.34Å; N165-R167 PolarHBondContact O-N 2.95Å; N165-R167 VanDerWaalsContact O-N 3.14Å; N165-R167 WeakPolarHBondContact OD1-CB 3.4Å; N165-R167 PolarHBondContact OD1-N 3.37Å; R167-L169 VanDerWaalsContact C-N 3.25Å; R167-L169 PolarHBondContact O-N 2.94Å; R167-L169 VanDerWaalsContact O-N 3.12Å; R167-S170 PolarHBondContact O-N 3.5Å; R167-S170 VanDerWaalsContact O-N 3.1Å; R167-S170 PolarHBondContact O-OG 2.76Å; R167-L171 HydrophobicContact CB-CD1 3.87Å; R167-L171 HydrophobicContact CB-CG 4.1Å; R167-L171 WeakPolarHBondContact O-CG 3.36Å; R167-L171 PolarHBondContact O-N 3.39Å; R167-E278 IonicContact CZ-OE2 2.77Å; R167-E278 IonicContact NH2-OE1 3.49Å; R167-E278 PolarHBondContact NH2-OE1 3.22Å; R167-E278 VanDerWaalsContact NH2-OE1 3.09Å; R167-E278 IonicContact NH2-OE2 3.53Å; R167-E278 PolarHBondContact NH2-OE2 2.89Å
168	V	98.1	Very high	97.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-51	-40.8	-173.7	63.2	0	0	0	0	113.3	L69 L163 N165 L171 L172 P182 Y280	L69-V168 HydrophobicContact CD2-CG1 3.59Å; L163-V168 HydrophobicContact CD1-CG1 4.31Å; L163-V168 HydrophobicContact CD2-CG2 4.5Å; N165-V168 WeakPolarHBondContact O-CB 3.47Å; N165-V168 WeakPolarHBondContact O-CG1 3.47Å; N165-V168 PolarHBondContact O-N 3.48Å; V168-L171 PolarHBondContact O-N 3.17Å; V168-L172 HydrophobicContact CG2-CD1 3.75Å; V168-L172 HydrophobicContact CG2-CG 4.1Å; V168-L172 WeakPolarHBondContact O-CB 3.49Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.37Å; V168-L172 PolarHBondContact O-N 2.71Å; V168-P182 HydrophobicContact CG2-CB 3.95Å; V168-P182 HydrophobicContact CG2-CG 4.1Å; V168-Y280 HydrophobicContact CB-CD1 4.16Å; V168-Y280 HydrophobicContact CG2-CD1 3.77Å; V168-Y280 HydrophobicContact CG2-CE1 4.46Å; V168-Y280 HydrophobicContact CG2-CG 4.38Å
169	L	98.6	Very high	97.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-53.2	178.5	-73.4	175.9	0	0	0	111.9	V46 L69 Y71 L155 R167 L171 L172 M173 L231	V46-L169 HydrophobicContact CG1-CD1 4.15Å; V46-L169 HydrophobicContact CG2-CD2 4.17Å; L69-L169 HydrophobicContact CD1-CD1 4.04Å; Y71-L169 HydrophobicContact CD1-CD1 4.36Å; Y71-L169 HydrophobicContact CD2-CB 3.87Å; Y71-L169 HydrophobicContact CD2-CD1 4.11Å; Y71-L169 HydrophobicContact CE2-CB 4.22Å; Y71-L169 HydrophobicContact CG-CB 4.47Å; Y71-L169 HydrophobicContact CG-CD1 3.87Å; L155-L169 HydrophobicContact CB-CD2 4.37Å; L155-L169 HydrophobicContact CD2-CD2 4.02Å; R167-L169 VanDerWaalsContact C-N 3.25Å; R167-L169 PolarHBondContact O-N 2.94Å; R167-L169 VanDerWaalsContact O-N 3.12Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 2.77Å; L169-L172 PolarHBondContact O-N 3.35Å; L169-M173 HydrophobicContact CB-CE 4.39Å; L169-M173 HydrophobicContact CD2-CE 4.4Å; L169-M173 WeakPolarHBondContact O-CB 3.38Å; L169-M173 WeakPolarHBondContact O-CG 3.34Å; L169-M173 PolarHBondContact O-N 3.41Å; L169-L231 HydrophobicContact CD2-CD1 4.06Å
170	S	98	Very high	97.8	Very high	52 Å²	52	29.8 Å²	29.8	36%	0.364	17%	0.168	S	C	.	.	H	α-helix	trans	-62.1	-39.9	179.1	42	0	0	0	0	112.5	R167 A174	R167-S170 PolarHBondContact O-N 3.5Å; R167-S170 VanDerWaalsContact O-N 3.1Å; R167-S170 PolarHBondContact O-OG 2.76Å; S170-A174 WeakPolarHBondContact O-CB 3.32Å; S170-A174 PolarHBondContact O-N 2.71Å
171	L	98.4	Very high	97.9	Very high	38 Å²	38	28 Å²	28	20%	0.199	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-47.4	-179.3	-68.1	169.3	0	0	0	111.2	R167 V168 L169 A174 E175 E278 Y280	R167-L171 HydrophobicContact CB-CD1 3.87Å; R167-L171 HydrophobicContact CB-CG 4.1Å; R167-L171 WeakPolarHBondContact O-CG 3.36Å; R167-L171 PolarHBondContact O-N 3.39Å; V168-L171 PolarHBondContact O-N 3.17Å; L169-L171 VanDerWaalsContact C-N 3.32Å; L169-L171 PolarHBondContact O-N 2.77Å; L171-A174 WeakPolarHBondContact O-CB 3.3Å; L171-A174 PolarHBondContact O-N 2.69Å; L171-E175 PolarHBondContact O-N 2.75Å; L171-E278 VanDerWaalsContact CD1-CD 3.46Å; L171-E278 HydrophobicContact CD1-CG 4.29Å; L171-E278 WeakPolarHBondContact CD1-OE2 3.24Å; L171-Y280 HydrophobicContact CB-CE1 4.06Å; L171-Y280 HydrophobicContact CD1-CE1 3.82Å
172	L	98.6	Very high	98	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-37	178.3	-65.9	-178.8	0	0	0	112.7	V168 L169 A174 E175 V180 P182 L231 C275	V168-L172 HydrophobicContact CG2-CD1 3.75Å; V168-L172 HydrophobicContact CG2-CG 4.1Å; V168-L172 WeakPolarHBondContact O-CB 3.49Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.37Å; V168-L172 PolarHBondContact O-N 2.71Å; L169-L172 PolarHBondContact O-N 3.35Å; L172-A174 VanDerWaalsContact C-N 3.28Å; L172-A174 PolarHBondContact O-N 3.26Å; L172-E175 PolarHBondContact O-N 3.17Å; L172-V180 HydrophobicContact CB-CG1 4Å; L172-V180 HydrophobicContact CD2-CG1 4.31Å; L172-V180 HydrophobicContact CD2-CG2 4.01Å; L172-P182 HydrophobicContact CD1-CB 4.08Å; L172-P182 HydrophobicContact CD1-CG 3.96Å; L172-P182 HydrophobicContact CD2-CB 4.41Å; L172-L231 HydrophobicContact CB-CD2 3.79Å; L172-L231 HydrophobicContact CD1-CB 4.17Å; L172-C275 HydrophobicContact CD2-CB 4.21Å
173	M	98.4	Very high	98	Very high	21 Å²	21	28 Å²	28	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-34.9	174.2	-71.1	176.7	-171	0	0	111.9	P44 V46 Y71 Y153 L169 E175 N176 L231	P44-M173 HydrophobicContact CB-SD 4.48Å; P44-M173 HydrophobicContact CG-SD 4.31Å; V46-M173 HydrophobicContact CB-CE 4.16Å; V46-M173 HydrophobicContact CG2-CE 4.35Å; Y71-M173 HydrophobicContact CE2-CE 4.09Å; Y71-M173 HydrophobicContact CE2-SD 3.9Å; Y71-M173 WeakPolarHBondContact OH-CE 3.26Å; Y71-M173 PolarHBondContact OH-SD 3Å; Y71-M173 VanDerWaalsContact OH-SD 3.32Å; Y153-M173 HydrophobicContact CD1-CE 4.43Å; Y153-M173 HydrophobicContact CD1-CG 4.27Å; Y153-M173 HydrophobicContact CD2-CE 3.73Å; Y153-M173 HydrophobicContact CD2-CG 4.35Å; Y153-M173 HydrophobicContact CD2-SD 4.12Å; Y153-M173 HydrophobicContact CE1-CG 3.85Å; Y153-M173 HydrophobicContact CE2-CE 4.17Å; Y153-M173 HydrophobicContact CE2-CG 3.95Å; Y153-M173 HydrophobicContact CE2-SD 3.94Å; Y153-M173 HydrophobicContact CG-CE 3.85Å; Y153-M173 HydrophobicContact CG-CG 4.48Å; L169-M173 HydrophobicContact CB-CE 4.39Å; L169-M173 HydrophobicContact CD2-CE 4.4Å; L169-M173 WeakPolarHBondContact O-CB 3.38Å; L169-M173 WeakPolarHBondContact O-CG 3.34Å; L169-M173 PolarHBondContact O-N 3.41Å; M173-E175 VanDerWaalsContact C-N 3.25Å; M173-E175 PolarHBondContact O-N 3.41Å; M173-N176 PolarHBondContact O-N 3.08Å; M173-N176 VanDerWaalsContact O-N 3.1Å; M173-L231 HydrophobicContact CE-CD2 4.38Å; M173-L231 HydrophobicContact CG-CD2 3.73Å
174	A	97.9	Very high	98	Very high	80 Å²	80	27.8 Å²	27.8	66%	0.661	16%	0.157	S	C	*	.	H	α-helix	trans	-66.7	-25.4	179.3	0	0	0	0	0	113.2	S170 L171 L172 N176	S170-A174 WeakPolarHBondContact O-CB 3.32Å; S170-A174 PolarHBondContact O-N 2.71Å; L171-A174 WeakPolarHBondContact O-CB 3.3Å; L171-A174 PolarHBondContact O-N 2.69Å; L172-A174 VanDerWaalsContact C-N 3.28Å; L172-A174 PolarHBondContact O-N 3.26Å; A174-N176 PolarHBondContact O-N 3.05Å
175	E	97.8	Very high	97.8	Very high	52 Å²	52	29.2 Å²	29.2	24%	0.243	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.7	174	-61.4	-64.9	162.4	0	0	112.5	L171 L172 M173 L177 C220 R277	L171-E175 PolarHBondContact O-N 2.75Å; L172-E175 PolarHBondContact O-N 3.17Å; M173-E175 VanDerWaalsContact C-N 3.25Å; M173-E175 PolarHBondContact O-N 3.41Å; E175-L177 VanDerWaalsContact C-N 3.29Å; E175-L177 HydrophobicContact CB-CD1 3.94Å; E175-L177 HydrophobicContact CB-CG 4.12Å; E175-L177 WeakPolarHBondContact O-CG 3.25Å; E175-L177 PolarHBondContact O-N 3.44Å; E175-C220 WeakPolarHBondContact CG-SG 3.41Å; E175-C220 PolarHBondContact OE1-SG 2.86Å; E175-C220 PolarHBondContact OE2-SG 2.9Å; E175-R277 WeakPolarHBondContact OE1-CD 3.33Å; E175-R277 IonicContact OE1-CZ 4Å; E175-R277 IonicContact OE1-NE 3.12Å; E175-R277 PolarHBondContact OE1-NE 2.85Å; E175-R277 IonicContact OE2-NE 2.74Å; E175-R277 IonicContact OE2-NH2 3.98Å
176	N	97.6	Very high	97.5	Very high	95 Å²	95	29.1 Å²	29.1	51%	0.508	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	36.8	173.6	-165.4	32.7	0	0	0	113.9	M173 A174 R236	M173-N176 PolarHBondContact O-N 3.08Å; M173-N176 VanDerWaalsContact O-N 3.1Å; A174-N176 PolarHBondContact O-N 3.05Å; N176-R236 PolarHBondContact ND2-NH2 3.09Å; N176-R236 PolarHBondContact O-NH2 3.17Å; N176-R236 PolarHBondContact OD1-NH2 3.44Å
177	L	98.1	Very high	96.7	Very high	35 Å²	35	31.5 Å²	31.5	18%	0.183	17%	0.167	C	C	.	.			trans	-102.9	146.6	-178.5	-62.6	170.1	0	0	0	111.1	E175 V180 C220 Y273	E175-L177 VanDerWaalsContact C-N 3.29Å; E175-L177 HydrophobicContact CB-CD1 3.94Å; E175-L177 HydrophobicContact CB-CG 4.12Å; E175-L177 WeakPolarHBondContact O-CG 3.25Å; E175-L177 PolarHBondContact O-N 3.44Å; L177-V180 HydrophobicContact CB-CB 4.16Å; L177-V180 HydrophobicContact CD1-CB 4.14Å; L177-V180 HydrophobicContact CD1-CG2 3.99Å; L177-C220 HydrophobicContact CD1-CB 4.28Å; L177-Y273 HydrophobicContact CB-CD2 4.36Å; L177-Y273 HydrophobicContact CD1-CD1 3.97Å; L177-Y273 HydrophobicContact CD1-CD2 3.95Å; L177-Y273 HydrophobicContact CD1-CG 3.62Å; L177-Y273 HydrophobicContact CD2-CD1 4.39Å; L177-Y273 HydrophobicContact CD2-CD2 3.97Å; L177-Y273 HydrophobicContact CD2-CE1 4.24Å; L177-Y273 HydrophobicContact CD2-CE2 3.8Å; L177-Y273 HydrophobicContact CD2-CG 4.27Å; L177-Y273 HydrophobicContact CG-CD2 4.31Å; L177-Y273 HydrophobicContact CG-CG 4.44Å
178	T	98.4	Very high	95.9	Very high	31 Å²	31	29.1 Å²	29.1	19%	0.19	17%	0.167	C	C	.	.	S	Bend	trans	-63.2	-45.5	177.2	-53.6	0	0	0	0	111.5	L232 D233 R236 V270	T178-L232 HydrophobicContact CG2-CD1 4.21Å; T178-L232 WeakPolarHBondContact O-CA 3.38Å; T178-L232 WeakPolarHBondContact O-CD1 3.49Å; T178-D233 PolarHBondContact O-N 2.93Å; T178-R236 HydrophobicContact CG2-CB 3.99Å; T178-R236 HydrophobicContact CG2-CG 4.23Å; T178-V270 HydrophobicContact CG2-CG1 3.89Å; T178-V270 HydrophobicContact CG2-CG2 4.35Å
179	L	98.7	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	111.1	-175.8	179.9	57.1	0	0	0	110.1	F230 L232 F261 A265 V270 M272 Y273	L179-F230 HydrophobicContact CD1-CB 4.35Å; L179-F230 HydrophobicContact CD1-CD2 3.47Å; L179-F230 VanDerWaalsContact CD1-CD2 3.47Å; L179-F230 HydrophobicContact CD1-CE2 4.09Å; L179-F230 HydrophobicContact CD1-CG 4.18Å; L179-L232 HydrophobicContact CB-CD1 4.45Å; L179-L232 HydrophobicContact CD1-CB 4.27Å; L179-L232 HydrophobicContact CD1-CD1 4.4Å; L179-F261 HydrophobicContact CD1-CE1 4.37Å; L179-F261 HydrophobicContact CD1-CZ 4.48Å; L179-F261 HydrophobicContact CD2-CE1 3.91Å; L179-F261 HydrophobicContact CD2-CZ 4.07Å; L179-A265 HydrophobicContact CD2-CB 4.29Å; L179-V270 HydrophobicContact CB-CG1 3.9Å; L179-V270 HydrophobicContact CD2-CG1 4.25Å; L179-M272 HydrophobicContact CD2-CB 4.5Å; L179-M272 HydrophobicContact CD2-CE 3.87Å; L179-M272 HydrophobicContact CD2-CG 3.44Å; L179-M272 VanDerWaalsContact CD2-CG 3.44Å; L179-M272 HydrophobicContact CD2-SD 4.47Å; L179-M272 HydrophobicContact CG-CG 4.04Å; L179-Y273 PolarHBondContact O-N 2.92Å
180	V	98.8	Very high	95	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.2	-174.5	63.1	0	0	0	0	111.7	L172 L177 F230 L231 Y273 C275	L172-V180 HydrophobicContact CB-CG1 4Å; L172-V180 HydrophobicContact CD2-CG1 4.31Å; L172-V180 HydrophobicContact CD2-CG2 4.01Å; L177-V180 HydrophobicContact CB-CB 4.16Å; L177-V180 HydrophobicContact CD1-CB 4.14Å; L177-V180 HydrophobicContact CD1-CG2 3.99Å; V180-F230 WeakPolarHBondContact O-CA 3.24Å; V180-L231 HydrophobicContact CG1-CB 4.28Å; V180-L231 PolarHBondContact N-O 2.85Å; V180-L231 PolarHBondContact O-N 3.1Å; V180-Y273 CarbonylContact C-O 3.47Å; V180-Y273 WeakPolarHBondContact CA-O 3.37Å; V180-C275 HydrophobicContact CG2-CB 4.17Å
181	A	98.8	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.5	172.4	0	0	0	0	0	111.2	V226 T229 F230 Y273 V274 C275	A181-V226 HydrophobicContact CB-CB 3.6Å; A181-V226 HydrophobicContact CB-CG1 3.67Å; A181-V226 HydrophobicContact CB-CG2 3.96Å; A181-T229 VanDerWaalsContact CB-O 3.28Å; A181-T229 WeakPolarHBondContact CB-O 3.15Å; A181-F230 HydrophobicContact CB-CB 4.01Å; A181-Y273 PolarHBondContact N-O 3.34Å; A181-V274 CarbonylContact O-C 3.53Å; A181-V274 WeakPolarHBondContact O-CA 3.21Å; A181-C275 PolarHBondContact O-N 2.79Å
182	P	98.5	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.8	159.5	28.4	-26.5	0	0	0	108.3	L163 V168 L172 M184 N192 T229 Y280	L163-P182 HydrophobicContact CD2-CG 4.42Å; V168-P182 HydrophobicContact CG2-CB 3.95Å; V168-P182 HydrophobicContact CG2-CG 4.1Å; L172-P182 HydrophobicContact CD1-CB 4.08Å; L172-P182 HydrophobicContact CD1-CG 3.96Å; L172-P182 HydrophobicContact CD2-CB 4.41Å; P182-M184 HydrophobicContact CB-SD 4.34Å; P182-M184 HydrophobicContact CG-SD 4.05Å; P182-M184 PolarHBondContact O-N 2.89Å; P182-N192 PolarHBondContact O-ND2 3.49Å; P182-N192 PolarHBondContact O-OD1 2.85Å; P182-T229 HydrophobicContact CG-CG2 3.81Å; P182-Y280 VanDerWaalsContact CB-CB 3.47Å; P182-Y280 HydrophobicContact CB-CD1 4.15Å; P182-Y280 HydrophobicContact CB-CD2 3.73Å; P182-Y280 HydrophobicContact CB-CG 3.51Å
183	M	98.3	Very high	94.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-68.9	118	172.3	-167.1	175.4	79.3	0	0	108.6	F193 I212 W215 V274 C275 N276	M183-F193 HydrophobicContact CG-CD1 4.15Å; M183-F193 HydrophobicContact CG-CE1 3.74Å; M183-F193 HydrophobicContact SD-CE1 3.66Å; M183-F193 HydrophobicContact SD-CZ 4.13Å; M183-I212 WeakPolarHBondContact CE-O 3.37Å; M183-I212 HydrophobicContact SD-CG2 4Å; M183-W215 HydrophobicContact CE-CD2 3.44Å; M183-W215 VanDerWaalsContact CE-CD2 3.44Å; M183-W215 HydrophobicContact CE-CE3 3.6Å; M183-W215 HydrophobicContact CE-CG 4.28Å; M183-W215 HydrophobicContact CE-CH2 3.31Å; M183-W215 HydrophobicContact CE-CZ2 3.13Å; M183-W215 HydrophobicContact CE-CZ3 3.54Å; M183-V274 HydrophobicContact CB-CG2 3.75Å; M183-V274 HydrophobicContact CG-CG2 4.07Å; M183-C275 VanDerWaalsContact CB-O 3.29Å; M183-C275 WeakPolarHBondContact CB-O 3.41Å; M183-C275 PolarHBondContact N-O 3.16Å; M183-N276 HydrophobicContact CB-CB 3.85Å; M183-N276 HydrophobicContact CE-CB 3.51Å; M183-N276 HydrophobicContact CG-CB 4.38Å; M183-N276 HydrophobicContact SD-CB 3.66Å
184	M	96.1	Very high	94.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-96.2	136.4	-178.1	-60.8	-60.6	-68.4	0	0	109.9	N161 L163 P182 N192 F282 L283	N161-M184 HydrophobicContact CB-CE 4.06Å; L163-M184 HydrophobicContact CD2-CE 4.07Å; L163-M184 HydrophobicContact CD2-SD 3.95Å; P182-M184 HydrophobicContact CB-SD 4.34Å; P182-M184 HydrophobicContact CG-SD 4.05Å; P182-M184 PolarHBondContact O-N 2.89Å; M184-N192 HydrophobicContact CB-CB 4.32Å; M184-N192 HydrophobicContact CG-CB 4.37Å; M184-N192 WeakPolarHBondContact CG-ND2 3.44Å; M184-N192 PolarHBondContact N-OD1 2.73Å; M184-F282 WeakPolarHBondContact CE-O 3.48Å; M184-L283 HydrophobicContact CB-CB 4.26Å; M184-L283 HydrophobicContact CB-CD2 3.49Å; M184-L283 VanDerWaalsContact CB-CD2 3.49Å; M184-L283 HydrophobicContact CB-CG 4.29Å; M184-L283 WeakPolarHBondContact O-CD2 3.44Å
185	E	92.5	Very high	94.2	Very high	47 Å²	47	26.9 Å²	26.9	22%	0.22	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-87.6	134.7	-176.5	-170.1	158.6	-179.4	0	0	112.3	W215 H279 G281 F282 L283	E185-W215 HydrophobicContact CB-CH2 3.98Å; E185-W215 HydrophobicContact CG-CH2 4.08Å; E185-W215 HydrophobicContact CG-CZ3 4.4Å; E185-H279 IonicContact OE2-CE1 3.43Å; E185-H279 IonicContact OE2-ND1 2.73Å; E185-H279 PolarHBondContact OE2-ND1 2.88Å; E185-G281 WeakPolarHBondContact CB-O 3.23Å; E185-G281 PolarHBondContact N-O 3.19Å; E185-F282 HydrophobicContact CB-CD1 3.88Å; E185-F282 HydrophobicContact CB-CE1 4.03Å; E185-F282 HydrophobicContact CB-CG 4.39Å; E185-F282 HydrophobicContact CG-CD1 4.12Å; E185-F282 HydrophobicContact CG-CE1 3.96Å; E185-F282 CarbonylContact O-C 3.48Å; E185-F282 WeakPolarHBondContact O-CA 3.22Å; E185-L283 PolarHBondContact O-N 2.75Å
186	S	91	Very high	93.9	Very high	11 Å²	11	24.8 Å²	24.8	8%	0.077	13%	0.131	C	C	.	.			trans	-131.1	170.1	171	79.8	0	0	0	0	111.3	S188 Y190 R213 L283	S186-S188 VanDerWaalsContact C-N 3.31Å; S186-S188 PolarHBondContact O-N 3.18Å; S186-S188 PolarHBondContact OG-O 3.41Å; S186-Y190 PolarHBondContact OG-O 3.14Å; S186-R213 PolarHBondContact O-NH2 3.28Å; S186-R213 PolarHBondContact OG-NH2 2.81Å; S186-L283 WeakPolarHBondContact CB-O 3.29Å
187	R	80.1	Confident	93.6	Very high	88 Å²	88	22.7 Å²	22.7	33%	0.332	12%	0.121	S	C	.	.	S	Bend	trans	-61.2	-37	178.5	-173.2	-163.4	168.8	-171.9	-1.7	113.3	H302 E432 N597	R187-H302 WeakPolarHBondContact CD-NE2 3.5Å; R187-E432 IonicContact CZ-OE1 3.91Å; R187-E432 IonicContact CZ-OE2 3.97Å; R187-E432 VanDerWaalsContact CZ-OE2 3.24Å; R187-E432 IonicContact NH1-OE2 3.61Å; R187-E432 IonicContact NH2-OE1 2.96Å; R187-E432 PolarHBondContact NH2-OE1 2.94Å; R187-E432 IonicContact NH2-OE2 3.75Å; R187-E432 PolarHBondContact NH2-OE2 3.29Å; R187-N597 PolarHBondContact NH2-OD1 3.32Å; R187-N597 VanDerWaalsContact NH2-OD1 3.09Å
188	S	80.9	Confident	93.2	Very high	56 Å²	56	22.9 Å²	22.9	39%	0.392	12%	0.124	S	C	.	.	S	Bend	trans	-105.1	-172.8	-175.4	73.6	0	0	0	0	111.1	S186 Y190 R213	S186-S188 VanDerWaalsContact C-N 3.31Å; S186-S188 PolarHBondContact O-N 3.18Å; S186-S188 PolarHBondContact OG-O 3.41Å; S188-Y190 PolarHBondContact O-N 2.94Å; S188-Y190 VanDerWaalsContact O-N 3.08Å; S188-Y190 VanDerWaalsContact OG-CB 3.26Å; S188-Y190 WeakPolarHBondContact OG-CB 3.4Å; S188-Y190 PolarHBondContact OG-N 3.15Å; S188-R213 PolarHBondContact O-NH2 3.31Å
189	L	86.9	Confident	92.6	Very high	70 Å²	70	26.7 Å²	26.7	37%	0.366	15%	0.149	S	C	.	.	S	Bend	trans	-70.5	11.9	166.7	-67.1	179.1	0	0	0	113	Y209 R213	L189-Y209 HydrophobicContact CB-CE1 4.45Å; L189-Y209 WeakPolarHBondContact O-CE1 3.06Å; L189-Y209 PolarHBondContact O-OH 3.33Å; L189-R213 HydrophobicContact CD2-CG 4.29Å
190	Y	90.4	Very high	91.9	Very high	30 Å²	30	32.2 Å²	32.2	12%	0.118	18%	0.175	C	C	.	.			trans	-70.4	145.8	168	-177.6	-101.1	0	0	0	110.2	S186 S188 R213 H227 L283 P286	S186-Y190 PolarHBondContact OG-O 3.14Å; S188-Y190 PolarHBondContact O-N 2.94Å; S188-Y190 VanDerWaalsContact O-N 3.08Å; S188-Y190 VanDerWaalsContact OG-CB 3.26Å; S188-Y190 WeakPolarHBondContact OG-CB 3.4Å; S188-Y190 PolarHBondContact OG-N 3.15Å; Y190-R213 PolarHBondContact O-NE 3.41Å; Y190-R213 VanDerWaalsContact O-NE 3.11Å; Y190-R213 PolarHBondContact O-NH2 2.85Å; Y190-H227 PolarHBondContact OH-CE1 2.99Å; Y190-H227 VanDerWaalsContact OH-CE1 3.31Å; Y190-L283 HydrophobicContact CD1-CD1 4.18Å; Y190-L283 HydrophobicContact CD1-CG 4.4Å; Y190-L283 HydrophobicContact CE1-CD1 3.54Å; Y190-L283 HydrophobicContact CE1-CG 4.16Å; Y190-P286 HydrophobicContact CE1-CG 3.85Å; Y190-P286 HydrophobicContact CE2-CG 3.7Å; Y190-P286 WeakPolarHBondContact OH-CG 3.4Å
191	S	91.8	Very high	91.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.021	18%	0.175	C	C	.	.			trans	-158.8	173.1	176	73.3	0	0	0	0	110.8	F193 Y209 H227	S191-F193 PolarHBondContact O-N 3.47Å; S191-F193 WeakPolarHBondContact OG-CD1 3.47Å; S191-F193 WeakPolarHBondContact OG-CE1 3.42Å; S191-F193 PolarHBondContact OG-N 2.99Å; S191-F193 PolarHBondContact OG-O 2.7Å; S191-Y209 VanDerWaalsContact CB-OH 3.26Å; S191-Y209 WeakPolarHBondContact CB-OH 3.45Å; S191-Y209 PolarHBondContact OG-OH 2.8Å; S191-H227 PolarHBondContact O-NE2 2.77Å
192	N	96.8	Very high	90.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-84.9	23.8	179	72.3	-44.4	0	0	0	115	P182 M184 V226 H227 T229 L283	P182-N192 PolarHBondContact O-ND2 3.49Å; P182-N192 PolarHBondContact O-OD1 2.85Å; M184-N192 HydrophobicContact CB-CB 4.32Å; M184-N192 HydrophobicContact CG-CB 4.37Å; M184-N192 WeakPolarHBondContact CG-ND2 3.44Å; M184-N192 PolarHBondContact N-OD1 2.73Å; N192-V226 WeakPolarHBondContact O-CA 3.29Å; N192-H227 VanDerWaalsContact CA-CE1 3.5Å; N192-H227 WeakPolarHBondContact CA-CE1 3.47Å; N192-H227 WeakPolarHBondContact CB-O 3.46Å; N192-H227 PolarHBondContact O-N 2.83Å; N192-T229 PolarHBondContact ND2-O 3.37Å; N192-L283 HydrophobicContact CB-CD1 4.12Å
193	F	97	Very high	90	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.3	-179.6	75.3	-82.8	0	0	0	112.5	M183 S191 C195 Y209 I212 R213 V223 M225 V226 V274	M183-F193 HydrophobicContact CG-CD1 4.15Å; M183-F193 HydrophobicContact CG-CE1 3.74Å; M183-F193 HydrophobicContact SD-CE1 3.66Å; M183-F193 HydrophobicContact SD-CZ 4.13Å; S191-F193 PolarHBondContact O-N 3.47Å; S191-F193 WeakPolarHBondContact OG-CD1 3.47Å; S191-F193 WeakPolarHBondContact OG-CE1 3.42Å; S191-F193 PolarHBondContact OG-N 2.99Å; S191-F193 PolarHBondContact OG-O 2.7Å; F193-C195 VanDerWaalsContact CE2-SG 3.55Å; F193-Y209 HydrophobicContact CD2-CD2 4.39Å; F193-Y209 HydrophobicContact CD2-CE2 4.17Å; F193-Y209 HydrophobicContact CE1-CE2 4.22Å; F193-Y209 AromaticContact CE2-CD2 3.69Å; F193-Y209 HydrophobicContact CE2-CD2 3.69Å; F193-Y209 AromaticContact CE2-CE2 3.66Å; F193-Y209 HydrophobicContact CE2-CE2 3.66Å; F193-Y209 AromaticContact CZ-CD2 3.99Å; F193-Y209 HydrophobicContact CZ-CD2 3.99Å; F193-Y209 AromaticContact CZ-CE2 3.68Å; F193-Y209 HydrophobicContact CZ-CE2 3.68Å; F193-Y209 WeakPolarHBondContact O-CE2 3.21Å; F193-I212 HydrophobicContact CE2-CG2 4.12Å; F193-I212 HydrophobicContact CZ-CB 4.37Å; F193-I212 HydrophobicContact CZ-CG2 3.78Å; F193-R213 HydrophobicContact CZ-CB 4.37Å; F193-V223 HydrophobicContact CD2-CG1 4.02Å; F193-M225 VanDerWaalsContact CA-O 3.3Å; F193-M225 WeakPolarHBondContact CA-O 3.38Å; F193-V226 HydrophobicContact CB-CG1 4.1Å; F193-V274 HydrophobicContact CB-CB 3.97Å; F193-V274 HydrophobicContact CB-CG1 4.33Å; F193-V274 HydrophobicContact CB-CG2 4.04Å; F193-V274 HydrophobicContact CD1-CB 4.37Å; F193-V274 HydrophobicContact CD1-CG1 4.42Å; F193-V274 HydrophobicContact CD1-CG2 3.71Å; F193-V274 HydrophobicContact CD2-CB 4.34Å; F193-V274 HydrophobicContact CD2-CG1 3.78Å; F193-V274 HydrophobicContact CE1-CG2 4.29Å; F193-V274 HydrophobicContact CE2-CG1 4.14Å; F193-V274 HydrophobicContact CG-CB 3.98Å; F193-V274 HydrophobicContact CG-CG1 3.92Å; F193-V274 HydrophobicContact CG-CG2 3.83Å
194	W	95.5	Very high	89.5	Confident	21 Å²	21	44.6 Å²	44.6	8%	0.08	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.7	172.2	-54.1	-18.4	0	0	0	110.8	V197 G201 Y203 V223 P224 M225 I258 L615	W194-V197 HydrophobicContact CE3-CG1 3.75Å; W194-V197 HydrophobicContact CZ3-CG1 4.21Å; W194-G201 WeakPolarHBondContact CZ3-O 3.34Å; W194-Y203 HydrophobicContact CB-CD2 3.77Å; W194-Y203 HydrophobicContact CB-CE2 3.96Å; W194-Y203 AromaticContact CD1-CD2 3.47Å; W194-Y203 VanDerWaalsContact CD1-CD2 3.47Å; W194-Y203 AromaticContact CD1-CE2 3.78Å; W194-Y203 AromaticContact CD2-CD2 3.63Å; W194-Y203 HydrophobicContact CD2-CD2 3.63Å; W194-Y203 HydrophobicContact CD2-CG 4.39Å; W194-Y203 AromaticContact CE2-CD2 3.85Å; W194-Y203 HydrophobicContact CE3-CD2 4.3Å; W194-Y203 AromaticContact CG-CD2 3.39Å; W194-Y203 HydrophobicContact CG-CD2 3.39Å; W194-Y203 AromaticContact CG-CE2 3.88Å; W194-Y203 HydrophobicContact CG-CE2 3.88Å; W194-Y203 AromaticContact NE1-CD2 3.79Å; W194-V223 WeakPolarHBondContact O-CB 3.48Å; W194-P224 WeakPolarHBondContact O-CD 3.43Å; W194-P224 WeakPolarHBondContact O-CG 3.34Å; W194-M225 HydrophobicContact CB-CB 3.92Å; W194-M225 HydrophobicContact CD2-CB 4.04Å; W194-M225 HydrophobicContact CD2-CG 3.92Å; W194-M225 HydrophobicContact CE3-CB 3.99Å; W194-M225 HydrophobicContact CE3-CE 4.33Å; W194-M225 HydrophobicContact CE3-CG 4.03Å; W194-M225 HydrophobicContact CG-CB 3.99Å; W194-M225 HydrophobicContact CG-CG 4.13Å; W194-M225 HydrophobicContact CZ3-CE 4.25Å; W194-M225 PolarHBondContact N-O 3.12Å; W194-I258 HydrophobicContact CH2-CD1 4.21Å; W194-I258 HydrophobicContact CZ2-CD1 3.87Å; W194-L615 HydrophobicContact CZ2-CD1 3.79Å
195	C	94.4	Very high	89.2	Confident	24 Å²	24	49.7 Å²	49.7	16%	0.162	25%	0.245	C	C	.	.	S	Bend	trans	-84.8	-9	174.3	-73.7	0	0	0	0	114.3	F193 T206 Y209	F193-C195 VanDerWaalsContact CE2-SG 3.55Å; C195-T206 HydrophobicContact CB-CG2 4.12Å; C195-T206 WeakPolarHBondContact CB-OG1 3.22Å; C195-T206 WeakPolarHBondContact O-CG2 3.49Å; C195-Y209 HydrophobicContact CB-CD2 4.29Å
196	G	91.6	Very high	89.2	Confident	9 Å²	9	48.9 Å²	48.9	9%	0.093	24%	0.244	C	C	.	.			trans	-155.9	151.6	-177.5	0	0	0	0	0	111.5	K204	G196-K204 CarbonylContact C-O 3.49Å; G196-K204 VanDerWaalsContact CA-O 3.28Å; G196-K204 WeakPolarHBondContact CA-O 3.38Å; G196-K204 PolarHBondContact N-O 3.01Å; G196-K204 PolarHBondContact O-N 3Å
197	V	91.7	Very high	89.3	Confident	50 Å²	50	54 Å²	54	30%	0.303	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-131.3	151.4	172.5	-69.9	0	0	0	0	111.1	W194 Y202 P224	W194-V197 HydrophobicContact CE3-CG1 3.75Å; W194-V197 HydrophobicContact CZ3-CG1 4.21Å; V197-Y202 CarbonylContact C-O 3.56Å; V197-Y202 WeakPolarHBondContact CA-O 3.28Å; V197-P224 HydrophobicContact CG1-CB 4Å; V197-P224 HydrophobicContact CG1-CG 4.06Å; V197-P224 HydrophobicContact CG2-CB 3.89Å; V197-P224 HydrophobicContact CG2-CG 4.34Å
198	T	89.8	Confident	90	Very high	39 Å²	39	53.3 Å²	53.3	24%	0.239	28%	0.28	C	S	.	.			trans	-75.9	166.9	168.7	70.1	0	0	0	0	110.5	Q200 G201 Y202 K204	T198-Q200 PolarHBondContact O-N 2.93Å; T198-Q200 VanDerWaalsContact O-N 3.13Å; T198-Q200 PolarHBondContact OG1-N 2.79Å; T198-G201 PolarHBondContact O-N 3.05Å; T198-Y202 PolarHBondContact N-O 2.97Å; T198-Y202 PolarHBondContact OG1-N 2.79Å; T198-Y202 VanDerWaalsContact OG1-N 3.16Å; T198-K204 HydrophobicContact CG2-CB 4.35Å
199	P	85.3	Confident	90.6	Very high	112 Å²	112	50.9 Å²	50.9	73%	0.727	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.1	173.8	-26	36	0	0	0	114.1	G201	P199-G201 VanDerWaalsContact C-N 3.29Å
200	Q	83.2	Confident	90.9	Very high	115 Å²	115	51.9 Å²	51.9	54%	0.537	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4	176.3	-61.9	75.4	23.5	0	0	113.1	T198 Y202	T198-Q200 PolarHBondContact O-N 2.93Å; T198-Q200 VanDerWaalsContact O-N 3.13Å; T198-Q200 PolarHBondContact OG1-N 2.79Å; Q200-Y202 HydrophobicContact CB-CD2 3.85Å; Q200-Y202 HydrophobicContact CB-CE2 4.11Å
201	G	83	Confident	91.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	27%	0.27	C	S	.	.	S	Bend	trans	87.2	-0.4	176.1	0	0	0	0	0	115.5	W194 T198 P199	W194-G201 WeakPolarHBondContact CZ3-O 3.34Å; T198-G201 PolarHBondContact O-N 3.05Å; P199-G201 VanDerWaalsContact C-N 3.29Å
202	Y	86.7	Confident	91.4	Very high	103 Å²	103	52.2 Å²	52.2	40%	0.404	27%	0.27	S	S	.	.			trans	-77.6	159.5	-179	-70.6	-83.7	0	0	0	112.8	V197 T198 Q200	V197-Y202 CarbonylContact C-O 3.56Å; V197-Y202 WeakPolarHBondContact CA-O 3.28Å; T198-Y202 PolarHBondContact N-O 2.97Å; T198-Y202 PolarHBondContact OG1-N 2.79Å; T198-Y202 VanDerWaalsContact OG1-N 3.16Å; Q200-Y202 HydrophobicContact CB-CD2 3.85Å; Q200-Y202 HydrophobicContact CB-CE2 4.11Å
203	Y	86.1	Confident	91.3	Very high	36 Å²	36	52.8 Å²	52.8	14%	0.141	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-49.7	137.8	174.8	-180	-106.8	0	0	0	113.3	W194 R205 L615	W194-Y203 HydrophobicContact CB-CD2 3.77Å; W194-Y203 HydrophobicContact CB-CE2 3.96Å; W194-Y203 AromaticContact CD1-CD2 3.47Å; W194-Y203 VanDerWaalsContact CD1-CD2 3.47Å; W194-Y203 AromaticContact CD1-CE2 3.78Å; W194-Y203 AromaticContact CD2-CD2 3.63Å; W194-Y203 HydrophobicContact CD2-CD2 3.63Å; W194-Y203 HydrophobicContact CD2-CG 4.39Å; W194-Y203 AromaticContact CE2-CD2 3.85Å; W194-Y203 HydrophobicContact CE3-CD2 4.3Å; W194-Y203 AromaticContact CG-CD2 3.39Å; W194-Y203 HydrophobicContact CG-CD2 3.39Å; W194-Y203 AromaticContact CG-CE2 3.88Å; W194-Y203 HydrophobicContact CG-CE2 3.88Å; W194-Y203 AromaticContact NE1-CD2 3.79Å; Y203-R205 HydrophobicContact CE1-CB 3.94Å; Y203-R205 WeakPolarHBondContact OH-CD 3.46Å; Y203-R205 PolarHBondContact OH-NE 2.87Å; Y203-R205 PolarHBondContact OH-NH1 2.85Å; Y203-L615 HydrophobicContact CD1-CD2 3.67Å; Y203-L615 HydrophobicContact CG-CD1 4.32Å; Y203-L615 HydrophobicContact CG-CD2 3.91Å
204	K	89.5	Confident	91.1	Very high	121 Å²	121	55.8 Å²	55.8	53%	0.526	29%	0.286	S	S	.	.			trans	-138	116.8	168.7	-178	-178.5	177.2	-177.3	0	109.9	G196 T198 T206	G196-K204 CarbonylContact C-O 3.49Å; G196-K204 VanDerWaalsContact CA-O 3.28Å; G196-K204 WeakPolarHBondContact CA-O 3.38Å; G196-K204 PolarHBondContact N-O 3.01Å; G196-K204 PolarHBondContact O-N 3Å; T198-K204 HydrophobicContact CG2-CB 4.35Å; K204-T206 PolarHBondContact O-N 3.46Å
205	R	88.2	Confident	91	Very high	107 Å²	107	56.8 Å²	56.8	40%	0.404	29%	0.29	S	S	.	.			trans	-62.4	134.7	172.9	-170.5	80.3	64.1	-165.8	-5	109.6	Y203	Y203-R205 HydrophobicContact CE1-CB 3.94Å; Y203-R205 WeakPolarHBondContact OH-CD 3.46Å; Y203-R205 PolarHBondContact OH-NE 2.87Å; Y203-R205 PolarHBondContact OH-NH1 2.85Å
206	T	92.6	Very high	91.1	Very high	30 Å²	30	62.8 Å²	62.8	18%	0.184	31%	0.313	C	S	.	.			trans	-123.3	160.8	174.5	74.9	0	0	0	0	110.5	C195 K204 D208 Y209	C195-T206 HydrophobicContact CB-CG2 4.12Å; C195-T206 WeakPolarHBondContact CB-OG1 3.22Å; C195-T206 WeakPolarHBondContact O-CG2 3.49Å; K204-T206 PolarHBondContact O-N 3.46Å; T206-D208 PolarHBondContact O-N 3.39Å; T206-D208 PolarHBondContact OG1-N 2.98Å; T206-Y209 WeakPolarHBondContact O-CB 3.17Å; T206-Y209 PolarHBondContact O-N 3.4Å; T206-Y209 VanDerWaalsContact O-N 3.13Å
207	P	94.3	Very high	91.3	Very high	120 Å²	120	67.7 Å²	67.7	78%	0.779	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.7	176.8	-25.4	35.8	0	0	0	114.4	Y209 P211	P207-Y209 VanDerWaalsContact C-N 3.33Å; P207-P211 WeakPolarHBondContact O-CD 3.33Å
208	D	93.8	Very high	91.6	Very high	73 Å²	73	70.3 Å²	70.3	39%	0.39	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-21.2	178.8	-67.6	-51.4	0	0	0	113.3	T206 P211 I212 R217	T206-D208 PolarHBondContact O-N 3.39Å; T206-D208 PolarHBondContact OG1-N 2.98Å; D208-P211 WeakPolarHBondContact O-CD 3.43Å; D208-I212 HydrophobicContact CB-CD1 4.24Å; D208-I212 WeakPolarHBondContact O-CD1 3.32Å; D208-I212 VanDerWaalsContact O-CG1 3.27Å; D208-I212 WeakPolarHBondContact O-CG1 3.45Å; D208-I212 PolarHBondContact O-N 3.17Å; D208-R217 IonicContact OD1-CZ 3.52Å; D208-R217 IonicContact OD1-NH1 2.64Å; D208-R217 PolarHBondContact OD1-NH1 3.04Å; D208-R217 IonicContact OD1-NH2 3.09Å
209	Y	94.2	Very high	92	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-54	-172.4	-176.4	-88.5	0	0	0	112.7	L189 S191 F193 C195 T206 P207 I212 R213	L189-Y209 HydrophobicContact CB-CE1 4.45Å; L189-Y209 WeakPolarHBondContact O-CE1 3.06Å; L189-Y209 PolarHBondContact O-OH 3.33Å; S191-Y209 VanDerWaalsContact CB-OH 3.26Å; S191-Y209 WeakPolarHBondContact CB-OH 3.45Å; S191-Y209 PolarHBondContact OG-OH 2.8Å; F193-Y209 HydrophobicContact CD2-CD2 4.39Å; F193-Y209 HydrophobicContact CD2-CE2 4.17Å; F193-Y209 HydrophobicContact CE1-CE2 4.22Å; F193-Y209 AromaticContact CE2-CD2 3.69Å; F193-Y209 HydrophobicContact CE2-CD2 3.69Å; F193-Y209 AromaticContact CE2-CE2 3.66Å; F193-Y209 HydrophobicContact CE2-CE2 3.66Å; F193-Y209 AromaticContact CZ-CD2 3.99Å; F193-Y209 HydrophobicContact CZ-CD2 3.99Å; F193-Y209 AromaticContact CZ-CE2 3.68Å; F193-Y209 HydrophobicContact CZ-CE2 3.68Å; F193-Y209 WeakPolarHBondContact O-CE2 3.21Å; C195-Y209 HydrophobicContact CB-CD2 4.29Å; T206-Y209 WeakPolarHBondContact O-CB 3.17Å; T206-Y209 PolarHBondContact O-N 3.4Å; T206-Y209 VanDerWaalsContact O-N 3.13Å; P207-Y209 VanDerWaalsContact C-N 3.33Å; Y209-I212 PolarHBondContact O-N 3.21Å; Y209-R213 HydrophobicContact CD1-CB 4.29Å; Y209-R213 HydrophobicContact CE1-CB 3.9Å; Y209-R213 HydrophobicContact CE1-CG 4.01Å; Y209-R213 VanDerWaalsContact O-CB 3.27Å; Y209-R213 WeakPolarHBondContact O-CB 3.2Å; Y209-R213 PolarHBondContact O-N 2.84Å
210	Q	93.7	Very high	92.6	Very high	91 Å²	91	64.7 Å²	64.7	43%	0.425	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-44.3	-173.9	-175.6	176.2	-0.8	0	0	112.5	I212 R213 E214	Q210-I212 VanDerWaalsContact C-N 3.29Å; Q210-I212 PolarHBondContact O-N 3.08Å; Q210-R213 PolarHBondContact O-N 3.33Å; Q210-E214 HydrophobicContact CG-CG 4.08Å; Q210-E214 VanDerWaalsContact CG-OE1 3.28Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.45Å; Q210-E214 PolarHBondContact NE2-OE1 3.15Å; Q210-E214 WeakPolarHBondContact O-CB 3.33Å; Q210-E214 WeakPolarHBondContact O-CG 3.47Å; Q210-E214 PolarHBondContact O-N 3.23Å
211	P	95.9	Very high	93.3	Very high	35 Å²	35	60.8 Å²	60.8	23%	0.227	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-36.2	173.9	-26.6	35	0	0	0	114.6	P207 D208 K216 R217	P207-P211 WeakPolarHBondContact O-CD 3.33Å; D208-P211 WeakPolarHBondContact O-CD 3.43Å; P211-K216 HydrophobicContact CB-CB 4.34Å; P211-K216 WeakPolarHBondContact O-CA 3.43Å; P211-K216 PolarHBondContact O-N 2.94Å; P211-R217 HydrophobicContact CB-CB 4.28Å; P211-R217 PolarHBondContact O-N 2.81Å
212	I	96.1	Very high	94.1	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-71.2	-49.5	175.6	-66.2	168.8	0	0	0	109.8	M183 F193 D208 Y209 Q210 E214 W215 F221 V274 N276	M183-I212 WeakPolarHBondContact CE-O 3.37Å; M183-I212 HydrophobicContact SD-CG2 4Å; F193-I212 HydrophobicContact CE2-CG2 4.12Å; F193-I212 HydrophobicContact CZ-CB 4.37Å; F193-I212 HydrophobicContact CZ-CG2 3.78Å; D208-I212 HydrophobicContact CB-CD1 4.24Å; D208-I212 WeakPolarHBondContact O-CD1 3.32Å; D208-I212 VanDerWaalsContact O-CG1 3.27Å; D208-I212 WeakPolarHBondContact O-CG1 3.45Å; D208-I212 PolarHBondContact O-N 3.17Å; Y209-I212 PolarHBondContact O-N 3.21Å; Q210-I212 VanDerWaalsContact C-N 3.29Å; Q210-I212 PolarHBondContact O-N 3.08Å; I212-E214 VanDerWaalsContact C-N 3.28Å; I212-E214 PolarHBondContact O-N 2.71Å; I212-W215 PolarHBondContact O-N 3.39Å; I212-F221 HydrophobicContact CB-CD2 4.43Å; I212-F221 HydrophobicContact CB-CE2 4.42Å; I212-F221 HydrophobicContact CD1-CB 3.99Å; I212-F221 HydrophobicContact CD1-CD1 4.01Å; I212-F221 HydrophobicContact CD1-CD2 3.78Å; I212-F221 HydrophobicContact CD1-CE1 4.5Å; I212-F221 HydrophobicContact CD1-CE2 4.27Å; I212-F221 HydrophobicContact CD1-CG 3.63Å; I212-F221 HydrophobicContact CG1-CD1 4.38Å; I212-F221 HydrophobicContact CG1-CD2 3.82Å; I212-F221 HydrophobicContact CG1-CE1 4.4Å; I212-F221 HydrophobicContact CG1-CE2 3.83Å; I212-F221 HydrophobicContact CG1-CG 4.11Å; I212-F221 HydrophobicContact CG1-CZ 4.14Å; I212-F221 HydrophobicContact CG2-CD2 3.74Å; I212-F221 HydrophobicContact CG2-CE2 3.93Å; I212-V274 HydrophobicContact CG2-CG1 4.45Å; I212-N276 PolarHBondContact O-ND2 3.45Å
213	R	94.3	Very high	94.6	Very high	13 Å²	13	59.8 Å²	59.8	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-29.7	-176.5	178	57.4	-177.5	84.3	4.6	114.1	S186 S188 L189 Y190 F193 Y209 Q210 W215	S186-R213 PolarHBondContact O-NH2 3.28Å; S186-R213 PolarHBondContact OG-NH2 2.81Å; S188-R213 PolarHBondContact O-NH2 3.31Å; L189-R213 HydrophobicContact CD2-CG 4.29Å; Y190-R213 PolarHBondContact O-NE 3.41Å; Y190-R213 VanDerWaalsContact O-NE 3.11Å; Y190-R213 PolarHBondContact O-NH2 2.85Å; F193-R213 HydrophobicContact CZ-CB 4.37Å; Y209-R213 HydrophobicContact CD1-CB 4.29Å; Y209-R213 HydrophobicContact CE1-CB 3.9Å; Y209-R213 HydrophobicContact CE1-CG 4.01Å; Y209-R213 VanDerWaalsContact O-CB 3.27Å; Y209-R213 WeakPolarHBondContact O-CB 3.2Å; Y209-R213 PolarHBondContact O-N 2.84Å; Q210-R213 PolarHBondContact O-N 3.33Å; R213-W215 WeakPolarHBondContact O-CZ3 3.21Å
214	E	93.3	Very high	95.1	Very high	62 Å²	62	60.3 Å²	60.3	29%	0.29	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	16.4	-179.3	-63.4	177	169.5	0	0	112.7	Q210 I212 K216	Q210-E214 HydrophobicContact CG-CG 4.08Å; Q210-E214 VanDerWaalsContact CG-OE1 3.28Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.45Å; Q210-E214 PolarHBondContact NE2-OE1 3.15Å; Q210-E214 WeakPolarHBondContact O-CB 3.33Å; Q210-E214 WeakPolarHBondContact O-CG 3.47Å; Q210-E214 PolarHBondContact O-N 3.23Å; I212-E214 VanDerWaalsContact C-N 3.28Å; I212-E214 PolarHBondContact O-N 2.71Å; E214-K216 HydrophobicContact CB-CD 4.36Å; E214-K216 HydrophobicContact CB-CG 4.26Å; E214-K216 PolarHBondContact O-N 3.28Å; E214-K216 WeakPolarHBondContact OE2-CE 3.42Å; E214-K216 IonicContact OE2-NZ 2.63Å; E214-K216 PolarHBondContact OE2-NZ 3.03Å
215	W	94.2	Very high	95.3	Very high	42 Å²	42	54.8 Å²	54.8	16%	0.159	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	18.8	-178.5	-72	-101.8	0	0	0	115	M183 E185 I212 R213 R217 L218 N276 H279	M183-W215 HydrophobicContact CE-CD2 3.44Å; M183-W215 VanDerWaalsContact CE-CD2 3.44Å; M183-W215 HydrophobicContact CE-CE3 3.6Å; M183-W215 HydrophobicContact CE-CG 4.28Å; M183-W215 HydrophobicContact CE-CH2 3.31Å; M183-W215 HydrophobicContact CE-CZ2 3.13Å; M183-W215 HydrophobicContact CE-CZ3 3.54Å; E185-W215 HydrophobicContact CB-CH2 3.98Å; E185-W215 HydrophobicContact CG-CH2 4.08Å; E185-W215 HydrophobicContact CG-CZ3 4.4Å; I212-W215 PolarHBondContact O-N 3.39Å; R213-W215 WeakPolarHBondContact O-CZ3 3.21Å; W215-R217 PolarHBondContact O-N 2.97Å; W215-L218 HydrophobicContact CB-CD2 3.89Å; W215-L218 VanDerWaalsContact CD1-CD2 3.5Å; W215-L218 HydrophobicContact CG-CD2 4.07Å; W215-N276 PolarHBondContact NE1-O 3.24Å; W215-N276 VanDerWaalsContact NE1-O 3.12Å; W215-H279 AromaticContact CD2-CE1 3.81Å; W215-H279 AromaticContact CE2-CE1 3.64Å; W215-H279 AromaticContact CE2-ND1 3.81Å; W215-H279 AromaticContact CE2-NE2 4Å; W215-H279 AromaticContact CH2-ND1 3.9Å; W215-H279 AromaticContact CZ2-CE1 3.81Å; W215-H279 AromaticContact CZ2-ND1 3.56Å; W215-H279 AromaticContact NE1-NE2 3.95Å
216	K	95.1	Very high	95.8	Very high	150 Å²	150	49.7 Å²	49.7	65%	0.652	26%	0.259	S	S	*	.	S	Bend	trans	-71.2	-24.1	172.5	-66.9	174	174	163.9	0	111.8	P211 E214	P211-K216 HydrophobicContact CB-CB 4.34Å; P211-K216 WeakPolarHBondContact O-CA 3.43Å; P211-K216 PolarHBondContact O-N 2.94Å; E214-K216 HydrophobicContact CB-CD 4.36Å; E214-K216 HydrophobicContact CB-CG 4.26Å; E214-K216 PolarHBondContact O-N 3.28Å; E214-K216 WeakPolarHBondContact OE2-CE 3.42Å; E214-K216 IonicContact OE2-NZ 2.63Å; E214-K216 PolarHBondContact OE2-NZ 3.03Å
217	R	96.8	Very high	96	Very high	113 Å²	113	48.7 Å²	48.7	43%	0.426	25%	0.252	S	S	.	.	S	Bend	trans	-128.6	111	172.6	-168.9	-174.5	-69.1	166.8	1.7	109.2	D208 P211 W215 F221 N276	D208-R217 IonicContact OD1-CZ 3.52Å; D208-R217 IonicContact OD1-NH1 2.64Å; D208-R217 PolarHBondContact OD1-NH1 3.04Å; D208-R217 IonicContact OD1-NH2 3.09Å; P211-R217 HydrophobicContact CB-CB 4.28Å; P211-R217 PolarHBondContact O-N 2.81Å; W215-R217 PolarHBondContact O-N 2.97Å; R217-F221 HydrophobicContact CB-CZ 4.35Å; R217-F221 HydrophobicContact CG-CE1 3.94Å; R217-F221 HydrophobicContact CG-CZ 3.78Å; R217-F221 WeakPolarHBondContact O-CZ 3.35Å; R217-N276 PolarHBondContact O-ND2 2.74Å; R217-N276 PolarHBondContact O-OD1 2.76Å
218	L	97.9	Very high	96.1	Very high	105 Å²	105	43.6 Å²	43.6	55%	0.55	22%	0.219	S	C	.	.			trans	-92.4	139.7	-178.8	-58.7	177.8	0	0	0	111.8	W215 N276	W215-L218 HydrophobicContact CB-CD2 3.89Å; W215-L218 VanDerWaalsContact CD1-CD2 3.5Å; W215-L218 HydrophobicContact CG-CD2 4.07Å; L218-N276 WeakPolarHBondContact CA-OD1 3.31Å; L218-N276 WeakPolarHBondContact CD2-O 3.4Å
219	G	97.9	Very high	96.3	Very high	6 Å²	6	40.1 Å²	40.1	6%	0.062	20%	0.2	C	C	.	.	S	Bend	trans	158.5	-166.7	176.4	0	0	0	0	0	113	C275 N276	G219-C275 WeakPolarHBondContact O-CA 3.28Å; G219-C275 PolarHBondContact O-SG 2.67Å; G219-C275 VanDerWaalsContact O-SG 3.32Å; G219-N276 PolarHBondContact N-OD1 2.69Å; G219-N276 PolarHBondContact O-N 3.36Å; G219-N276 PolarHBondContact O-OD1 2.82Å
220	C	98.2	Very high	96.5	Very high	26 Å²	26	40.1 Å²	40.1	18%	0.176	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.3	162.4	-45.2	0	0	0	0	109.4	E175 L177 V274 C275	E175-C220 WeakPolarHBondContact CG-SG 3.41Å; E175-C220 PolarHBondContact OE1-SG 2.86Å; E175-C220 PolarHBondContact OE2-SG 2.9Å; L177-C220 HydrophobicContact CD1-CB 4.28Å; C220-V274 CarbonylContact C-O 3.58Å; C220-V274 VanDerWaalsContact CA-O 3.24Å; C220-V274 WeakPolarHBondContact CA-O 3.27Å; C220-C275 HydrophobicContact CB-CB 3.74Å; C220-C275 WeakPolarHBondContact CB-SG 3.34Å; C220-C275 WeakPolarHBondContact SG-CB 3.26Å; C220-C275 CovalentContact SG-SG 2.06Å; C220-C275 PolarHBondContact SG-SG 3.4Å
221	F	98.4	Very high	96.7	Very high	33 Å²	33	36 Å²	36	15%	0.145	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.3	-167.1	-55	-80	0	0	0	110.8	I212 R217 V223 Y273 V274 N276	I212-F221 HydrophobicContact CB-CD2 4.43Å; I212-F221 HydrophobicContact CB-CE2 4.42Å; I212-F221 HydrophobicContact CD1-CB 3.99Å; I212-F221 HydrophobicContact CD1-CD1 4.01Å; I212-F221 HydrophobicContact CD1-CD2 3.78Å; I212-F221 HydrophobicContact CD1-CE1 4.5Å; I212-F221 HydrophobicContact CD1-CE2 4.27Å; I212-F221 HydrophobicContact CD1-CG 3.63Å; I212-F221 HydrophobicContact CG1-CD1 4.38Å; I212-F221 HydrophobicContact CG1-CD2 3.82Å; I212-F221 HydrophobicContact CG1-CE1 4.4Å; I212-F221 HydrophobicContact CG1-CE2 3.83Å; I212-F221 HydrophobicContact CG1-CG 4.11Å; I212-F221 HydrophobicContact CG1-CZ 4.14Å; I212-F221 HydrophobicContact CG2-CD2 3.74Å; I212-F221 HydrophobicContact CG2-CE2 3.93Å; R217-F221 HydrophobicContact CB-CZ 4.35Å; R217-F221 HydrophobicContact CG-CE1 3.94Å; R217-F221 HydrophobicContact CG-CZ 3.78Å; R217-F221 WeakPolarHBondContact O-CZ 3.35Å; F221-V223 PolarHBondContact O-N 3.44Å; F221-Y273 VanDerWaalsContact O-CA 3.26Å; F221-Y273 WeakPolarHBondContact O-CA 3.12Å; F221-V274 HydrophobicContact CB-CG1 4.3Å; F221-V274 PolarHBondContact N-O 2.64Å; F221-V274 PolarHBondContact O-N 2.65Å; F221-N276 WeakPolarHBondContact CE2-OD1 3.49Å
222	P	98.3	Very high	96.9	Very high	81 Å²	81	34.3 Å²	34.3	53%	0.526	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.9	171.5	29.2	-33.4	0	0	0	108.9	Q271 M272 Y273	P222-Q271 HydrophobicContact CB-CG 3.88Å; P222-M272 WeakPolarHBondContact CA-O 3.3Å; P222-Y273 HydrophobicContact CB-CD1 4.26Å; P222-Y273 HydrophobicContact CB-CE1 3.9Å
223	V	97.8	Very high	97	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.5	-179.1	-72.9	0	0	0	0	109.9	F193 W194 F221 M225 V226 Q271 M272 V274	F193-V223 HydrophobicContact CD2-CG1 4.02Å; W194-V223 WeakPolarHBondContact O-CB 3.48Å; F221-V223 PolarHBondContact O-N 3.44Å; V223-M225 PolarHBondContact O-N 3.13Å; V223-V226 HydrophobicContact CG2-CG1 3.55Å; V223-Q271 PolarHBondContact O-NE2 3.18Å; V223-M272 HydrophobicContact CG2-CB 4.41Å; V223-M272 PolarHBondContact N-O 3.46Å; V223-M272 WeakPolarHBondContact O-CB 3.4Å; V223-M272 VanDerWaalsContact O-O 3.13Å; V223-V274 HydrophobicContact CG1-CG1 3.68Å; V223-V274 HydrophobicContact CG2-CB 4.21Å; V223-V274 HydrophobicContact CG2-CG1 4.19Å
224	P	95.9	Very high	97.2	Very high	48 Å²	48	34.6 Å²	34.6	31%	0.312	17%	0.173	S	C	.	.	S	Bend	trans	-68.2	-17.9	176.2	26.4	-37.3	0	0	0	114.1	W194 V197	W194-P224 WeakPolarHBondContact O-CD 3.43Å; W194-P224 WeakPolarHBondContact O-CG 3.34Å; V197-P224 HydrophobicContact CG1-CB 4Å; V197-P224 HydrophobicContact CG1-CG 4.06Å; V197-P224 HydrophobicContact CG2-CB 3.89Å; V197-P224 HydrophobicContact CG2-CG 4.34Å
225	M	95.2	Very high	97.4	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.02	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	132.6	-173.8	-177.3	66.5	68.8	0	0	111.4	F193 W194 V223 I258 A262	F193-M225 VanDerWaalsContact CA-O 3.3Å; F193-M225 WeakPolarHBondContact CA-O 3.38Å; W194-M225 HydrophobicContact CB-CB 3.92Å; W194-M225 HydrophobicContact CD2-CB 4.04Å; W194-M225 HydrophobicContact CD2-CG 3.92Å; W194-M225 HydrophobicContact CE3-CB 3.99Å; W194-M225 HydrophobicContact CE3-CE 4.33Å; W194-M225 HydrophobicContact CE3-CG 4.03Å; W194-M225 HydrophobicContact CG-CB 3.99Å; W194-M225 HydrophobicContact CG-CG 4.13Å; W194-M225 HydrophobicContact CZ3-CE 4.25Å; W194-M225 PolarHBondContact N-O 3.12Å; V223-M225 PolarHBondContact O-N 3.13Å; M225-I258 HydrophobicContact CE-CG1 4.04Å; M225-I258 WeakPolarHBondContact CE-O 3.44Å; M225-I258 HydrophobicContact SD-CB 3.96Å; M225-I258 HydrophobicContact SD-CG1 3.92Å; M225-I258 VanDerWaalsContact SD-O 3.36Å; M225-A262 HydrophobicContact CE-CB 3.2Å; M225-A262 HydrophobicContact SD-CB 3.53Å; M225-A262 VanDerWaalsContact SD-CB 3.53Å
226	V	97.8	Very high	97.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149	157.5	-60.6	0	0	0	0	109.1	A181 N192 F193 V223 F230 M272 Y273 V274	A181-V226 HydrophobicContact CB-CB 3.6Å; A181-V226 HydrophobicContact CB-CG1 3.67Å; A181-V226 HydrophobicContact CB-CG2 3.96Å; N192-V226 WeakPolarHBondContact O-CA 3.29Å; F193-V226 HydrophobicContact CB-CG1 4.1Å; V223-V226 HydrophobicContact CG2-CG1 3.55Å; V226-F230 HydrophobicContact CG2-CB 4.1Å; V226-F230 HydrophobicContact CG2-CG 4.42Å; V226-M272 HydrophobicContact CG1-CB 4.47Å; V226-M272 HydrophobicContact CG2-CB 4.24Å; V226-M272 HydrophobicContact CG2-CE 3.67Å; V226-M272 HydrophobicContact CG2-CG 4.21Å; V226-M272 HydrophobicContact CG2-SD 4.2Å; V226-M272 PolarHBondContact N-SD 2.86Å; V226-M272 WeakPolarHBondContact O-CE 3.49Å; V226-Y273 WeakPolarHBondContact CG1-O 3.07Å; V226-V274 HydrophobicContact CG1-CB 4.29Å
227	H	96.6	Very high	97.6	Very high	9 Å²	9	40 Å²	40	4%	0.042	19%	0.193	C	C	.	.			trans	-145.3	179.9	179.6	63.9	83.9	0	0	0	111.6	Y190 S191 N192 T229 I258	Y190-H227 PolarHBondContact OH-CE1 2.99Å; Y190-H227 VanDerWaalsContact OH-CE1 3.31Å; S191-H227 PolarHBondContact O-NE2 2.77Å; N192-H227 VanDerWaalsContact CA-CE1 3.5Å; N192-H227 WeakPolarHBondContact CA-CE1 3.47Å; N192-H227 WeakPolarHBondContact CB-O 3.46Å; N192-H227 PolarHBondContact O-N 2.83Å; H227-T229 PolarHBondContact O-N 2.72Å; H227-I258 HydrophobicContact CB-CB 4Å; H227-I258 HydrophobicContact CB-CD1 4.47Å; H227-I258 HydrophobicContact CB-CG2 3.65Å
228	S	96.3	Very high	97.6	Very high	12 Å²	12	36.2 Å²	36.2	8%	0.084	19%	0.186	C	C	.	.	S	Bend	trans	60.1	-50.1	176.4	-57.1	0	0	0	0	117.7	D158 N161	D158-S228 PolarHBondContact N-O 2.94Å; D158-S228 WeakPolarHBondContact OD2-CA 3.32Å; D158-S228 WeakPolarHBondContact OD2-CB 3.3Å; D158-S228 PolarHBondContact OD2-OG 3.25Å; D158-S228 VanDerWaalsContact OD2-OG 3.08Å; N161-S228 VanDerWaalsContact ND2-CB 3.33Å; N161-S228 WeakPolarHBondContact ND2-CB 3.4Å
229	T	98.2	Very high	97.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.2	171.7	-57.8	0	0	0	0	110.8	L155 F156 A157 N161 L163 A181 P182 N192 H227	L155-T229 HydrophobicContact CD1-CG2 4.13Å; F156-T229 WeakPolarHBondContact O-CA 3.42Å; A157-T229 HydrophobicContact CB-CG2 4.25Å; N161-T229 WeakPolarHBondContact CB-OG1 3.37Å; N161-T229 PolarHBondContact ND2-OG1 3.21Å; L163-T229 HydrophobicContact CD2-CG2 3.94Å; A181-T229 VanDerWaalsContact CB-O 3.28Å; A181-T229 WeakPolarHBondContact CB-O 3.15Å; P182-T229 HydrophobicContact CG-CG2 3.81Å; N192-T229 PolarHBondContact ND2-O 3.37Å; H227-T229 PolarHBondContact O-N 2.72Å
230	F	98.7	Very high	97.4	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.022	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	150.7	176	55.4	-90.9	0	0	0	111.9	F156 L179 V180 A181 V226 F244 F261	F156-F230 HydrophobicContact CB-CD1 4.49Å; F156-F230 HydrophobicContact CB-CD2 4.46Å; F156-F230 HydrophobicContact CB-CE1 4.08Å; F156-F230 HydrophobicContact CB-CE2 4.08Å; F156-F230 HydrophobicContact CB-CZ 3.87Å; F156-F230 HydrophobicContact CD2-CD2 4.09Å; F156-F230 AromaticContact CD2-CE2 3.35Å; F156-F230 HydrophobicContact CD2-CE2 3.35Å; F156-F230 AromaticContact CD2-CZ 3.71Å; F156-F230 HydrophobicContact CD2-CZ 3.71Å; F156-F230 HydrophobicContact CE2-CE2 4.06Å; F156-F230 HydrophobicContact CE2-CZ 4.48Å; F156-F230 AromaticContact CG-CE2 3.97Å; F156-F230 HydrophobicContact CG-CE2 3.97Å; F156-F230 AromaticContact CG-CZ 3.88Å; F156-F230 HydrophobicContact CG-CZ 3.88Å; F156-F230 PolarHBondContact N-O 3.14Å; F156-F230 PolarHBondContact O-N 3.42Å; L179-F230 HydrophobicContact CD1-CB 4.35Å; L179-F230 HydrophobicContact CD1-CD2 3.47Å; L179-F230 VanDerWaalsContact CD1-CD2 3.47Å; L179-F230 HydrophobicContact CD1-CE2 4.09Å; L179-F230 HydrophobicContact CD1-CG 4.18Å; V180-F230 WeakPolarHBondContact O-CA 3.24Å; A181-F230 HydrophobicContact CB-CB 4.01Å; V226-F230 HydrophobicContact CG2-CB 4.1Å; V226-F230 HydrophobicContact CG2-CG 4.42Å; F230-F244 HydrophobicContact CE2-CZ 4.2Å; F230-F244 HydrophobicContact CZ-CE1 4.16Å; F230-F244 AromaticContact CZ-CZ 3.81Å; F230-F244 HydrophobicContact CZ-CZ 3.81Å; F230-F261 HydrophobicContact CD2-CE1 4.42Å; F230-F261 HydrophobicContact CE1-CE1 4.49Å; F230-F261 AromaticContact CE2-CE1 3.65Å; F230-F261 HydrophobicContact CE2-CE1 3.65Å; F230-F261 AromaticContact CE2-CZ 3.97Å; F230-F261 HydrophobicContact CE2-CZ 3.97Å; F230-F261 HydrophobicContact CZ-CD1 4.16Å; F230-F261 AromaticContact CZ-CE1 3.71Å; F230-F261 HydrophobicContact CZ-CE1 3.71Å; F230-F261 HydrophobicContact CZ-CZ 4.3Å
231	L	98.9	Very high	97.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.2	176.3	-172.1	71.6	0	0	0	109.6	V46 Y153 L155 L169 L172 M173 V180	V46-L231 HydrophobicContact CG2-CD1 4.31Å; Y153-L231 HydrophobicContact CD1-CD1 4.23Å; Y153-L231 HydrophobicContact CD1-CD2 3.9Å; Y153-L231 HydrophobicContact CD1-CG 3.9Å; Y153-L231 HydrophobicContact CE1-CD2 4.22Å; Y153-L231 HydrophobicContact CG-CD1 4.45Å; L155-L231 HydrophobicContact CB-CD1 3.98Å; L155-L231 HydrophobicContact CD1-CB 4.37Å; L155-L231 HydrophobicContact CD1-CD1 4.38Å; L169-L231 HydrophobicContact CD2-CD1 4.06Å; L172-L231 HydrophobicContact CB-CD2 3.79Å; L172-L231 HydrophobicContact CD1-CB 4.17Å; M173-L231 HydrophobicContact CE-CD2 4.38Å; M173-L231 HydrophobicContact CG-CD2 3.73Å; V180-L231 HydrophobicContact CG1-CB 4.28Å; V180-L231 PolarHBondContact N-O 2.85Å; V180-L231 PolarHBondContact O-N 3.1Å
232	L	98.8	Very high	97.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.8	176.1	172.2	62.2	0	0	0	110	L143 Y153 I154 T178 L179 L234 L242	L143-L232 HydrophobicContact CD1-CD2 3.77Å; Y153-L232 CarbonylContact C-O 3.55Å; Y153-L232 VanDerWaalsContact CA-O 3.24Å; Y153-L232 WeakPolarHBondContact CA-O 3.39Å; I154-L232 HydrophobicContact CG2-CB 3.82Å; I154-L232 HydrophobicContact CG2-CD2 4Å; I154-L232 HydrophobicContact CG2-CG 4.2Å; I154-L232 PolarHBondContact N-O 3.32Å; I154-L232 PolarHBondContact O-N 3.24Å; T178-L232 HydrophobicContact CG2-CD1 4.21Å; T178-L232 WeakPolarHBondContact O-CA 3.38Å; T178-L232 WeakPolarHBondContact O-CD1 3.49Å; L179-L232 HydrophobicContact CB-CD1 4.45Å; L179-L232 HydrophobicContact CD1-CB 4.27Å; L179-L232 HydrophobicContact CD1-CD1 4.4Å; L232-L234 HydrophobicContact CD2-CD2 3.75Å; L232-L234 HydrophobicContact CG-CD2 3.91Å; L232-L242 HydrophobicContact CD1-CD1 3.39Å; L232-L242 HydrophobicContact CD2-CD1 3.89Å; L232-L242 HydrophobicContact CG-CD1 4.31Å
233	D	98.7	Very high	97.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	108	172	-171.8	-9.9	0	0	0	110.3	Y153 T178 R235 R236 S239	Y153-D233 HydrophobicContact CD1-CB 3.85Å; Y153-D233 HydrophobicContact CE1-CB 3.53Å; T178-D233 PolarHBondContact O-N 2.93Å; D233-R235 VanDerWaalsContact C-N 3.28Å; D233-R235 PolarHBondContact O-N 3.41Å; D233-R235 VanDerWaalsContact OD1-CB 3.26Å; D233-R235 WeakPolarHBondContact OD1-CB 3.13Å; D233-R235 WeakPolarHBondContact OD1-CG 3.46Å; D233-R235 IonicContact OD1-CZ 2.57Å; D233-R235 PolarHBondContact OD1-N 3.38Å; D233-R235 IonicContact OD1-NE 3.7Å; D233-R235 PolarHBondContact OD1-NE 2.93Å; D233-R235 IonicContact OD1-NH2 2.77Å; D233-R235 PolarHBondContact OD1-NH2 3.01Å; D233-R235 IonicContact OD2-CZ 3.8Å; D233-R235 IonicContact OD2-NE 2.63Å; D233-R235 IonicContact OD2-NH2 2.64Å; D233-R235 PolarHBondContact OD2-NH2 3.2Å; D233-R236 HydrophobicContact CB-CG 4.03Å; D233-R236 IonicContact OD2-NE 3.72Å; D233-S239 VanDerWaalsContact O-CB 3.3Å; D233-S239 WeakPolarHBondContact O-CB 3.24Å; D233-S239 PolarHBondContact O-OG 3.48Å
234	L	98.6	Very high	97.3	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.12	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8	-177.7	-61	176.8	0	0	0	113	L143 A146 R147 A151 D152 I154 L232 R236 S239	L143-L234 HydrophobicContact CD1-CD2 3.68Å; A146-L234 HydrophobicContact CB-CD1 3.66Å; R147-L234 HydrophobicContact CG-CD1 4.48Å; R147-L234 HydrophobicContact CG-CD2 4.45Å; A151-L234 HydrophobicContact CB-CD1 4.37Å; D152-L234 WeakPolarHBondContact O-CB 3.39Å; D152-L234 PolarHBondContact O-N 3.15Å; I154-L234 HydrophobicContact CB-CD1 4.2Å; I154-L234 HydrophobicContact CG2-CD1 4.06Å; I154-L234 HydrophobicContact CG2-CD2 4.02Å; I154-L234 HydrophobicContact CG2-CG 4.14Å; L232-L234 HydrophobicContact CD2-CD2 3.75Å; L232-L234 HydrophobicContact CG-CD2 3.91Å; L234-R236 VanDerWaalsContact C-N 3.31Å; L234-S239 WeakPolarHBondContact CA-OG 3.49Å; L234-S239 PolarHBondContact O-OG 2.97Å
235	R	97.9	Very high	97.4	Very high	122 Å²	122	40.8 Å²	40.8	46%	0.46	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.1	178.3	-54.3	167.9	-64.9	163.4	20.8	112	D152 Y153 D233	D152-R235 HydrophobicContact CB-CG 3.97Å; D152-R235 WeakPolarHBondContact OD1-CD 3.41Å; Y153-R235 VanDerWaalsContact CZ-NH2 3.3Å; Y153-R235 PolarHBondContact OH-NH2 3.25Å; D233-R235 VanDerWaalsContact C-N 3.28Å; D233-R235 PolarHBondContact O-N 3.41Å; D233-R235 VanDerWaalsContact OD1-CB 3.26Å; D233-R235 WeakPolarHBondContact OD1-CB 3.13Å; D233-R235 WeakPolarHBondContact OD1-CG 3.46Å; D233-R235 IonicContact OD1-CZ 2.57Å; D233-R235 PolarHBondContact OD1-N 3.38Å; D233-R235 IonicContact OD1-NE 3.7Å; D233-R235 PolarHBondContact OD1-NE 2.93Å; D233-R235 IonicContact OD1-NH2 2.77Å; D233-R235 PolarHBondContact OD1-NH2 3.01Å; D233-R235 IonicContact OD2-CZ 3.8Å; D233-R235 IonicContact OD2-NE 2.63Å; D233-R235 IonicContact OD2-NH2 2.64Å; D233-R235 PolarHBondContact OD2-NH2 3.2Å
236	R	97.5	Very high	97.5	Very high	93 Å²	93	45 Å²	45	35%	0.351	22%	0.216	S	C	.	.	S	Bend	trans	-76.9	133.2	178.4	-59.9	-63.4	-171.4	150.5	7.9	110.1	N176 T178 D233 L234 A238 S239	N176-R236 PolarHBondContact ND2-NH2 3.09Å; N176-R236 PolarHBondContact O-NH2 3.17Å; N176-R236 PolarHBondContact OD1-NH2 3.44Å; T178-R236 HydrophobicContact CG2-CB 3.99Å; T178-R236 HydrophobicContact CG2-CG 4.23Å; D233-R236 HydrophobicContact CB-CG 4.03Å; D233-R236 IonicContact OD2-NE 3.72Å; L234-R236 VanDerWaalsContact C-N 3.31Å; R236-A238 PolarHBondContact O-N 3.04Å; R236-S239 VanDerWaalsContact O-CB 3.27Å; R236-S239 WeakPolarHBondContact O-CB 3.39Å; R236-S239 PolarHBondContact O-N 3.45Å; R236-S239 PolarHBondContact O-OG 2.97Å
237	E	96.3	Very high	97.4	Very high	152 Å²	152	46.4 Å²	46.4	71%	0.71	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-55.5	-47.5	-178.5	-177	172.9	-158.1	0	0	112.7	S239 R240	E237-S239 PolarHBondContact O-N 3.28Å; E237-R240 VanDerWaalsContact O-CB 3.31Å; E237-R240 WeakPolarHBondContact O-CB 3.39Å; E237-R240 VanDerWaalsContact O-CG 3.31Å; E237-R240 WeakPolarHBondContact O-CG 3.26Å; E237-R240 PolarHBondContact O-N 2.78Å
238	A	95.2	Very high	97.3	Very high	35 Å²	35	49.3 Å²	49.3	29%	0.289	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-59.8	-20.2	178.9	0	0	0	0	0	114	R236 R240 V270	R236-A238 PolarHBondContact O-N 3.04Å; A238-R240 PolarHBondContact O-N 2.72Å; A238-V270 HydrophobicContact CB-CG2 3.73Å
239	S	96.8	Very high	97.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-68.3	-18.2	176.3	77.1	0	0	0	0	112.9	R147 D233 L234 R236 E237 D241 L242	R147-S239 PolarHBondContact NH2-O 3.45Å; D233-S239 VanDerWaalsContact O-CB 3.3Å; D233-S239 WeakPolarHBondContact O-CB 3.24Å; D233-S239 PolarHBondContact O-OG 3.48Å; L234-S239 WeakPolarHBondContact CA-OG 3.49Å; L234-S239 PolarHBondContact O-OG 2.97Å; R236-S239 VanDerWaalsContact O-CB 3.27Å; R236-S239 WeakPolarHBondContact O-CB 3.39Å; R236-S239 PolarHBondContact O-N 3.45Å; R236-S239 PolarHBondContact O-OG 2.97Å; E237-S239 PolarHBondContact O-N 3.28Å; S239-D241 VanDerWaalsContact C-N 3.3Å; S239-D241 PolarHBondContact O-N 3.14Å; S239-L242 WeakPolarHBondContact O-CB 3.21Å; S239-L242 PolarHBondContact O-N 2.71Å
240	R	96.3	Very high	97.1	Very high	176 Å²	176	59.8 Å²	59.8	66%	0.664	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.8	-33.7	-178.8	-68.8	175.7	174.9	175	-0.9	112.4	R147 E237 A238 L242	R147-R240 PolarHBondContact NH2-O 3.01Å; E237-R240 VanDerWaalsContact O-CB 3.31Å; E237-R240 WeakPolarHBondContact O-CB 3.39Å; E237-R240 VanDerWaalsContact O-CG 3.31Å; E237-R240 WeakPolarHBondContact O-CG 3.26Å; E237-R240 PolarHBondContact O-N 2.78Å; A238-R240 PolarHBondContact O-N 2.72Å; R240-L242 VanDerWaalsContact C-N 3.3Å
241	D	96.6	Very high	96.8	Very high	115 Å²	115	61 Å²	61	62%	0.615	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-86.1	-3.2	-176.7	-57.9	-38.3	0	0	0	113.1	S239 A268	S239-D241 VanDerWaalsContact C-N 3.3Å; S239-D241 PolarHBondContact O-N 3.14Å; D241-A268 HydrophobicContact CB-CB 3.84Å
242	L	97.6	Very high	96.4	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	34%	0.337	C	S	.	.			trans	-72.8	133	172.5	-63	176.4	0	0	0	111.3	R147 L232 S239 R240 F261 A265 A268 V270	R147-L242 PolarHBondContact NH2-O 2.92Å; L232-L242 HydrophobicContact CD1-CD1 3.39Å; L232-L242 HydrophobicContact CD2-CD1 3.89Å; L232-L242 HydrophobicContact CG-CD1 4.31Å; S239-L242 WeakPolarHBondContact O-CB 3.21Å; S239-L242 PolarHBondContact O-N 2.71Å; R240-L242 VanDerWaalsContact C-N 3.3Å; L242-F261 HydrophobicContact CB-CE2 4.43Å; L242-A265 VanDerWaalsContact CD2-CA 3.43Å; L242-A265 HydrophobicContact CD2-CB 3.87Å; L242-A268 HydrophobicContact CD2-CB 3.96Å; L242-V270 HydrophobicContact CD1-CG1 4.45Å; L242-V270 HydrophobicContact CD1-CG2 4.45Å; L242-V270 HydrophobicContact CD2-CB 4.16Å; L242-V270 HydrophobicContact CD2-CG2 4.09Å; L242-V270 HydrophobicContact CG-CG2 4.34Å
243	A	97.6	Very high	96	Very high	29 Å²	29	68.4 Å²	68.4	24%	0.24	35%	0.348	C	S	.	.			trans	-146.9	145	176.3	0	0	0	0	0	111.6	Q140 S264	Q140-A243 VanDerWaalsContact OE1-CA 3.29Å; A243-S264 PolarHBondContact N-OG 3.24Å; A243-S264 VanDerWaalsContact O-CB 3.26Å; A243-S264 WeakPolarHBondContact O-CB 3.33Å; A243-S264 PolarHBondContact O-OG 3.27Å
244	F	97.6	Very high	95.5	Very high	3 Å²	3	70.1 Å²	70.1	1%	0.013	36%	0.362	C	S	.	.	S	Bend	trans	-92.9	-30.1	165.7	-64.3	-88.9	0	0	0	111.3	M136 R139 Q140 L143 F156 F230 F261	M136-F244 HydrophobicContact CB-CB 4.49Å; R139-F244 HydrophobicContact CB-CB 4.05Å; R139-F244 HydrophobicContact CB-CD1 3.76Å; R139-F244 HydrophobicContact CB-CD2 3.8Å; R139-F244 HydrophobicContact CB-CE1 4.14Å; R139-F244 HydrophobicContact CB-CE2 4.17Å; R139-F244 HydrophobicContact CB-CG 3.59Å; R139-F244 HydrophobicContact CB-CZ 4.33Å; R139-F244 HydrophobicContact CG-CD1 4.34Å; R139-F244 HydrophobicContact CG-CE1 4.45Å; Q140-F244 HydrophobicContact CB-CB 4.21Å; L143-F244 HydrophobicContact CD2-CD2 4.16Å; L143-F244 HydrophobicContact CD2-CE2 4.15Å; F156-F244 HydrophobicContact CD2-CZ 4.37Å; F156-F244 HydrophobicContact CE1-CE2 4.17Å; F156-F244 HydrophobicContact CE1-CZ 4.29Å; F156-F244 AromaticContact CE2-CE2 3.82Å; F156-F244 HydrophobicContact CE2-CE2 3.82Å; F156-F244 AromaticContact CE2-CZ 3.91Å; F156-F244 HydrophobicContact CE2-CZ 3.91Å; F156-F244 HydrophobicContact CZ-CD2 4.46Å; F156-F244 AromaticContact CZ-CE2 3.51Å; F156-F244 HydrophobicContact CZ-CE2 3.51Å; F156-F244 AromaticContact CZ-CZ 3.86Å; F156-F244 HydrophobicContact CZ-CZ 3.86Å; F230-F244 HydrophobicContact CE2-CZ 4.2Å; F230-F244 HydrophobicContact CZ-CE1 4.16Å; F230-F244 AromaticContact CZ-CZ 3.81Å; F230-F244 HydrophobicContact CZ-CZ 3.81Å; F244-F261 HydrophobicContact CD1-CB 3.84Å; F244-F261 AromaticContact CD1-CD2 3.62Å; F244-F261 HydrophobicContact CD1-CD2 3.62Å; F244-F261 HydrophobicContact CD1-CE2 4.36Å; F244-F261 AromaticContact CD1-CG 3.8Å; F244-F261 HydrophobicContact CD1-CG 3.8Å; F244-F261 HydrophobicContact CD2-CD2 4.24Å; F244-F261 HydrophobicContact CD2-CE2 4.33Å; F244-F261 HydrophobicContact CE1-CB 3.79Å; F244-F261 AromaticContact CE1-CD1 3.82Å; F244-F261 HydrophobicContact CE1-CD1 3.82Å; F244-F261 AromaticContact CE1-CD2 3.34Å; F244-F261 HydrophobicContact CE1-CD2 3.34Å; F244-F261 HydrophobicContact CE1-CE1 4.22Å; F244-F261 AromaticContact CE1-CE2 3.8Å; F244-F261 HydrophobicContact CE1-CE2 3.8Å; F244-F261 AromaticContact CE1-CG 3.35Å; F244-F261 HydrophobicContact CE1-CG 3.35Å; F244-F261 HydrophobicContact CE1-CZ 4.22Å; F244-F261 AromaticContact CE2-CD2 4Å; F244-F261 HydrophobicContact CE2-CD2 4Å; F244-F261 AromaticContact CE2-CE2 3.77Å; F244-F261 HydrophobicContact CE2-CE2 3.77Å; F244-F261 HydrophobicContact CE2-CZ 4.35Å; F244-F261 HydrophobicContact CG-CD2 4.06Å; F244-F261 HydrophobicContact CZ-CD1 4.17Å; F244-F261 AromaticContact CZ-CD2 3.54Å; F244-F261 HydrophobicContact CZ-CD2 3.54Å; F244-F261 HydrophobicContact CZ-CE1 4.09Å; F244-F261 AromaticContact CZ-CE2 3.46Å; F244-F261 HydrophobicContact CZ-CE2 3.46Å; F244-F261 VanDerWaalsContact CZ-CE2 3.46Å; F244-F261 AromaticContact CZ-CG 3.9Å; F244-F261 HydrophobicContact CZ-CG 3.9Å; F244-F261 AromaticContact CZ-CZ 3.75Å; F244-F261 HydrophobicContact CZ-CZ 3.75Å
245	Y	97.8	Very high	95.2	Very high	71 Å²	71	72.6 Å²	72.6	28%	0.278	37%	0.372	S	S	.	.	S	Bend	trans	-154	143.7	-176.5	-167.4	-91.8	0	0	0	112.4	N133 M136 K137 Q140	N133-Y245 WeakPolarHBondContact OD1-CE2 3.29Å; M136-Y245 HydrophobicContact CB-CD2 4.28Å; K137-Y245 HydrophobicContact CD-CE1 4.28Å; K137-Y245 VanDerWaalsContact CE-OH 3.31Å; K137-Y245 WeakPolarHBondContact CE-OH 3.34Å; K137-Y245 HydrophobicContact CG-CD1 3.64Å; K137-Y245 HydrophobicContact CG-CD2 4.04Å; K137-Y245 HydrophobicContact CG-CE1 3.85Å; K137-Y245 HydrophobicContact CG-CE2 4.24Å; K137-Y245 HydrophobicContact CG-CG 3.74Å; Q140-Y245 VanDerWaalsContact CG-O 3.28Å; Q140-Y245 WeakPolarHBondContact CG-O 3.27Å; Q140-Y245 VanDerWaalsContact OE1-N 3.09Å; Q140-Y245 PolarHBondContact OE1-O 3.03Å
246	P	96.9	Very high	94.9	Very high	92 Å²	92	67.6 Å²	67.6	60%	0.597	36%	0.355	S	S	*	.	S	Bend	cis	-62.3	156.6	-12.6	29.8	-35.5	0	0	0	111.1
247	P	96.1	Very high	94.7	Very high	32 Å²	32	63.4 Å²	63.4	21%	0.208	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-54.4	152.2	171.6	-21.9	31	0	0	0	111.4	Y251 F255 V260	P247-Y251 HydrophobicContact CB-CD1 4.5Å; P247-F255 HydrophobicContact CG-CE2 3.8Å; P247-V260 HydrophobicContact CB-CG1 3.93Å; P247-V260 HydrophobicContact CB-CG2 4.46Å; P247-V260 HydrophobicContact CG-CG1 4.21Å
248	H	95.6	Very high	94.7	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.319	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-56	141.1	176.2	-168.3	-88.2	0	0	0	110.6	D250 Y251 F263	H248-D250 IonicContact CE1-OD2 3.37Å; H248-D250 PolarHBondContact CE1-OD2 3Å; H248-D250 VanDerWaalsContact CE1-OD2 3.26Å; H248-D250 PolarHBondContact ND1-N 2.9Å; H248-D250 IonicContact ND1-OD2 3.81Å; H248-D250 PolarHBondContact O-N 3.45Å; H248-D250 VanDerWaalsContact O-N 3.14Å; H248-Y251 WeakPolarHBondContact O-CB 2.91Å; H248-Y251 PolarHBondContact O-N 3.06Å; H248-F263 HydrophobicContact CB-CD1 3.96Å; H248-F263 HydrophobicContact CB-CE1 3.86Å; H248-F263 AromaticContact CG-CE1 3.97Å; H248-F263 AromaticContact ND1-CE1 3.84Å
249	P	94.4	Very high	94.6	Very high	120 Å²	120	56 Å²	56	78%	0.779	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.5	-178	-28.9	36	0	0	0	114.6	Y251	P249-Y251 VanDerWaalsContact C-N 3.27Å; P249-Y251 PolarHBondContact O-N 3.32Å
250	D	94.3	Very high	94.6	Very high	112 Å²	112	56.1 Å²	56.1	60%	0.599	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	2.8	178.5	-56.2	-32.1	0	0	0	114.2	H248 S252 F263	H248-D250 IonicContact CE1-OD2 3.37Å; H248-D250 PolarHBondContact CE1-OD2 3Å; H248-D250 VanDerWaalsContact CE1-OD2 3.26Å; H248-D250 PolarHBondContact ND1-N 2.9Å; H248-D250 IonicContact ND1-OD2 3.81Å; H248-D250 PolarHBondContact O-N 3.45Å; H248-D250 VanDerWaalsContact O-N 3.14Å; D250-S252 PolarHBondContact O-N 3.38Å; D250-F263 HydrophobicContact CB-CZ 4.29Å
251	Y	93.4	Very high	94.7	Very high	30 Å²	30	48 Å²	48	12%	0.118	27%	0.269	C	S	.	.			trans	-70.9	122.4	179.8	-171.5	-95.9	0	0	0	110.9	P247 H248 P249 W253 A254 M259 V260 F263	P247-Y251 HydrophobicContact CB-CD1 4.5Å; H248-Y251 WeakPolarHBondContact O-CB 2.91Å; H248-Y251 PolarHBondContact O-N 3.06Å; P249-Y251 VanDerWaalsContact C-N 3.27Å; P249-Y251 PolarHBondContact O-N 3.32Å; Y251-W253 HydrophobicContact CE1-CB 4.17Å; Y251-W253 WeakPolarHBondContact CE1-O 3.29Å; Y251-W253 HydrophobicContact CE2-CB 4.08Å; Y251-W253 HydrophobicContact CE2-CD2 4.25Å; Y251-W253 AromaticContact CE2-CE3 3.82Å; Y251-W253 HydrophobicContact CE2-CE3 3.82Å; Y251-W253 HydrophobicContact CE2-CG 4.39Å; Y251-A254 PolarHBondContact OH-O 2.81Å; Y251-M259 WeakPolarHBondContact OH-CB 3.41Å; Y251-V260 HydrophobicContact CD1-CG2 4.11Å; Y251-V260 HydrophobicContact CD2-CG2 4.48Å; Y251-V260 HydrophobicContact CE1-CG2 3.56Å; Y251-V260 HydrophobicContact CE2-CB 4.41Å; Y251-V260 HydrophobicContact CE2-CG2 3.98Å; Y251-V260 VanDerWaalsContact CZ-CG2 3.46Å; Y251-V260 PolarHBondContact OH-N 2.98Å; Y251-F263 HydrophobicContact CD2-CB 3.66Å; Y251-F263 AromaticContact CD2-CD1 3.81Å; Y251-F263 HydrophobicContact CD2-CD1 3.81Å; Y251-F263 HydrophobicContact CD2-CD2 4.03Å; Y251-F263 HydrophobicContact CD2-CE1 4.43Å; Y251-F263 AromaticContact CD2-CG 3.58Å; Y251-F263 HydrophobicContact CD2-CG 3.58Å; Y251-F263 HydrophobicContact CE2-CB 3.73Å; Y251-F263 HydrophobicContact CE2-CD2 4.45Å; Y251-F263 HydrophobicContact CE2-CG 4.09Å
252	S	90.6	Very high	94.7	Very high	100 Å²	100	43 Å²	43	70%	0.699	24%	0.244	S	C	*	.			trans	-131.4	7	-175.1	51.9	0	0	0	0	113.9	D250	D250-S252 PolarHBondContact O-N 3.38Å
253	W	89.9	Confident	94.6	Very high	59 Å²	59	43.6 Å²	43.6	22%	0.223	25%	0.247	C	C	.	.	S	Bend	trans	-88	-176.1	-179.7	-53.6	-23.4	0	0	0	111.9	Y251 F255 M259 F263	Y251-W253 HydrophobicContact CE1-CB 4.17Å; Y251-W253 WeakPolarHBondContact CE1-O 3.29Å; Y251-W253 HydrophobicContact CE2-CB 4.08Å; Y251-W253 HydrophobicContact CE2-CD2 4.25Å; Y251-W253 AromaticContact CE2-CE3 3.82Å; Y251-W253 HydrophobicContact CE2-CE3 3.82Å; Y251-W253 HydrophobicContact CE2-CG 4.39Å; W253-F255 PolarHBondContact O-N 2.88Å; W253-M259 HydrophobicContact CB-CE 3.86Å; W253-M259 HydrophobicContact CD2-CE 4.48Å; W253-M259 HydrophobicContact CE3-CE 4.11Å; W253-M259 HydrophobicContact CG-CE 4.44Å; W253-F263 HydrophobicContact CD2-CD2 4.33Å; W253-F263 HydrophobicContact CE3-CB 4.39Å; W253-F263 HydrophobicContact CE3-CD2 4.08Å; W253-F263 AromaticContact CH2-CD2 3.63Å; W253-F263 HydrophobicContact CH2-CD2 3.63Å; W253-F263 HydrophobicContact CH2-CE2 4.37Å; W253-F263 AromaticContact CZ2-CD2 3.87Å; W253-F263 HydrophobicContact CZ2-CD2 3.87Å; W253-F263 HydrophobicContact CZ2-CE2 4.19Å; W253-F263 HydrophobicContact CZ3-CB 4.02Å; W253-F263 AromaticContact CZ3-CD2 3.73Å; W253-F263 HydrophobicContact CZ3-CD2 3.73Å; W253-F263 HydrophobicContact CZ3-CG 4.38Å
254	A	89.3	Confident	94.6	Very high	38 Å²	38	42.6 Å²	42.6	31%	0.314	24%	0.238	S	C	.	.			trans	-58.5	135.7	176.4	0	0	0	0	0	111.3	Y251 D256 M259	Y251-A254 PolarHBondContact OH-O 2.81Å; A254-D256 PolarHBondContact O-N 3.31Å; A254-M259 HydrophobicContact CB-SD 4.26Å
255	F	91.4	Very high	94.6	Very high	75 Å²	75	42.5 Å²	42.5	33%	0.329	24%	0.238	S	C	.	.			trans	-75.2	87	-176.2	-168.3	-100.2	0	0	0	111.5	P129 F132 N133 M136 P247 W253	P129-F255 HydrophobicContact CB-CD1 4.29Å; P129-F255 WeakPolarHBondContact O-CE1 3.43Å; F132-F255 HydrophobicContact CB-CD1 3.91Å; F132-F255 HydrophobicContact CB-CE1 3.93Å; F132-F255 VanDerWaalsContact CD2-O 3.29Å; F132-F255 WeakPolarHBondContact CD2-O 3.43Å; N133-F255 HydrophobicContact CB-CE1 3.9Å; N133-F255 HydrophobicContact CB-CZ 4.08Å; M136-F255 HydrophobicContact CE-CD1 4.11Å; M136-F255 HydrophobicContact CE-CD2 4.26Å; M136-F255 HydrophobicContact CE-CE1 3.41Å; M136-F255 VanDerWaalsContact CE-CE1 3.41Å; M136-F255 HydrophobicContact CE-CE2 3.6Å; M136-F255 HydrophobicContact CE-CZ 3.14Å; P247-F255 HydrophobicContact CG-CE2 3.8Å; W253-F255 PolarHBondContact O-N 2.88Å
256	D	92.6	Very high	94.4	Very high	16 Å²	16	47.3 Å²	47.3	9%	0.086	26%	0.256	C	S	.	.			trans	-136.1	140.8	-176.9	176.5	-71.9	0	0	0	110	F132 A254 I258 M259 V260	F132-D256 HydrophobicContact CE1-CB 4.18Å; F132-D256 VanDerWaalsContact CE1-OD2 3.3Å; F132-D256 WeakPolarHBondContact CE1-OD2 3.49Å; F132-D256 HydrophobicContact CZ-CB 4.22Å; F132-D256 VanDerWaalsContact CZ-OD2 3.23Å; F132-D256 WeakPolarHBondContact CZ-OD2 3.34Å; A254-D256 PolarHBondContact O-N 3.31Å; D256-I258 PolarHBondContact O-N 3.41Å; D256-I258 VanDerWaalsContact OD1-CG1 3.29Å; D256-I258 WeakPolarHBondContact OD1-CG1 3.4Å; D256-I258 PolarHBondContact OD1-N 2.91Å; D256-M259 HydrophobicContact CB-CB 4.22Å; D256-M259 HydrophobicContact CB-CG 4.17Å; D256-M259 HydrophobicContact CB-SD 4.25Å; D256-M259 PolarHBondContact O-N 3.06Å; D256-M259 PolarHBondContact OD1-N 3.36Å; D256-V260 WeakPolarHBondContact O-CB 3.35Å; D256-V260 WeakPolarHBondContact O-CG2 3.45Å; D256-V260 PolarHBondContact O-N 3.5Å
257	D	93.3	Very high	94.4	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-35.6	-171.1	72	-58.4	0	0	0	113.7	F132 L135 M136 R139 F261 R612	F132-D257 HydrophobicContact CD1-CB 4.27Å; L135-D257 HydrophobicContact CD2-CB 4.29Å; L135-D257 WeakPolarHBondContact CD2-OD2 3.37Å; M136-D257 HydrophobicContact CG-CB 3.59Å; M136-D257 HydrophobicContact SD-CB 4.33Å; R139-D257 IonicContact CZ-OD2 2.89Å; R139-D257 IonicContact NE-OD2 3.07Å; R139-D257 PolarHBondContact NE-OD2 3.45Å; R139-D257 IonicContact NH2-OD2 3.26Å; D257-F261 WeakPolarHBondContact O-CB 3.35Å; D257-F261 PolarHBondContact O-N 3.36Å; D257-F261 VanDerWaalsContact O-N 3.12Å; D257-R612 IonicContact OD1-NH1 3.93Å
258	I	94.8	Very high	94.4	Very high	25 Å²	25	46.7 Å²	46.7	13%	0.128	25%	0.245	C	C	.	.	H	α-helix	trans	-75.1	-40.2	-179.6	86.2	-171.1	0	0	0	109.8	W194 M225 H227 D256 F261 A262	W194-I258 HydrophobicContact CH2-CD1 4.21Å; W194-I258 HydrophobicContact CZ2-CD1 3.87Å; M225-I258 HydrophobicContact CE-CG1 4.04Å; M225-I258 WeakPolarHBondContact CE-O 3.44Å; M225-I258 HydrophobicContact SD-CB 3.96Å; M225-I258 HydrophobicContact SD-CG1 3.92Å; M225-I258 VanDerWaalsContact SD-O 3.36Å; H227-I258 HydrophobicContact CB-CB 4Å; H227-I258 HydrophobicContact CB-CD1 4.47Å; H227-I258 HydrophobicContact CB-CG2 3.65Å; D256-I258 PolarHBondContact O-N 3.41Å; D256-I258 VanDerWaalsContact OD1-CG1 3.29Å; D256-I258 WeakPolarHBondContact OD1-CG1 3.4Å; D256-I258 PolarHBondContact OD1-N 2.91Å; I258-F261 PolarHBondContact O-N 2.83Å; I258-A262 WeakPolarHBondContact O-CB 3.28Å; I258-A262 PolarHBondContact O-N 3.45Å
259	M	94.9	Very high	94.5	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.039	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-43.5	178.1	-65.5	-174.2	64.2	0	0	112	Y251 W253 A254 D256 F263	Y251-M259 WeakPolarHBondContact OH-CB 3.41Å; W253-M259 HydrophobicContact CB-CE 3.86Å; W253-M259 HydrophobicContact CD2-CE 4.48Å; W253-M259 HydrophobicContact CE3-CE 4.11Å; W253-M259 HydrophobicContact CG-CE 4.44Å; A254-M259 HydrophobicContact CB-SD 4.26Å; D256-M259 HydrophobicContact CB-CB 4.22Å; D256-M259 HydrophobicContact CB-CG 4.17Å; D256-M259 HydrophobicContact CB-SD 4.25Å; D256-M259 PolarHBondContact O-N 3.06Å; D256-M259 PolarHBondContact OD1-N 3.36Å; M259-F263 WeakPolarHBondContact O-CB 3.49Å; M259-F263 PolarHBondContact O-N 3.17Å
260	V	96.5	Very high	94.7	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-45.9	176	170.2	0	0	0	0	110.5	M136 P247 Y251 D256 F263 S264	M136-V260 HydrophobicContact SD-CB 3.8Å; M136-V260 HydrophobicContact SD-CG1 3.79Å; M136-V260 HydrophobicContact SD-CG2 3.91Å; P247-V260 HydrophobicContact CB-CG1 3.93Å; P247-V260 HydrophobicContact CB-CG2 4.46Å; P247-V260 HydrophobicContact CG-CG1 4.21Å; Y251-V260 HydrophobicContact CD1-CG2 4.11Å; Y251-V260 HydrophobicContact CD2-CG2 4.48Å; Y251-V260 HydrophobicContact CE1-CG2 3.56Å; Y251-V260 HydrophobicContact CE2-CB 4.41Å; Y251-V260 HydrophobicContact CE2-CG2 3.98Å; Y251-V260 VanDerWaalsContact CZ-CG2 3.46Å; Y251-V260 PolarHBondContact OH-N 2.98Å; D256-V260 WeakPolarHBondContact O-CB 3.35Å; D256-V260 WeakPolarHBondContact O-CG2 3.45Å; D256-V260 PolarHBondContact O-N 3.5Å; V260-F263 PolarHBondContact O-N 3.19Å; V260-S264 PolarHBondContact O-N 3.15Å
261	F	97.4	Very high	94.9	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-42.6	-178.7	-177.1	-117.9	0	0	0	113	L179 F230 L242 F244 D257 I258 F263 S264 A265 M272	L179-F261 HydrophobicContact CD1-CE1 4.37Å; L179-F261 HydrophobicContact CD1-CZ 4.48Å; L179-F261 HydrophobicContact CD2-CE1 3.91Å; L179-F261 HydrophobicContact CD2-CZ 4.07Å; F230-F261 HydrophobicContact CD2-CE1 4.42Å; F230-F261 HydrophobicContact CE1-CE1 4.49Å; F230-F261 AromaticContact CE2-CE1 3.65Å; F230-F261 HydrophobicContact CE2-CE1 3.65Å; F230-F261 AromaticContact CE2-CZ 3.97Å; F230-F261 HydrophobicContact CE2-CZ 3.97Å; F230-F261 HydrophobicContact CZ-CD1 4.16Å; F230-F261 AromaticContact CZ-CE1 3.71Å; F230-F261 HydrophobicContact CZ-CE1 3.71Å; F230-F261 HydrophobicContact CZ-CZ 4.3Å; L242-F261 HydrophobicContact CB-CE2 4.43Å; F244-F261 HydrophobicContact CD1-CB 3.84Å; F244-F261 AromaticContact CD1-CD2 3.62Å; F244-F261 HydrophobicContact CD1-CD2 3.62Å; F244-F261 HydrophobicContact CD1-CE2 4.36Å; F244-F261 AromaticContact CD1-CG 3.8Å; F244-F261 HydrophobicContact CD1-CG 3.8Å; F244-F261 HydrophobicContact CD2-CD2 4.24Å; F244-F261 HydrophobicContact CD2-CE2 4.33Å; F244-F261 HydrophobicContact CE1-CB 3.79Å; F244-F261 AromaticContact CE1-CD1 3.82Å; F244-F261 HydrophobicContact CE1-CD1 3.82Å; F244-F261 AromaticContact CE1-CD2 3.34Å; F244-F261 HydrophobicContact CE1-CD2 3.34Å; F244-F261 HydrophobicContact CE1-CE1 4.22Å; F244-F261 AromaticContact CE1-CE2 3.8Å; F244-F261 HydrophobicContact CE1-CE2 3.8Å; F244-F261 AromaticContact CE1-CG 3.35Å; F244-F261 HydrophobicContact CE1-CG 3.35Å; F244-F261 HydrophobicContact CE1-CZ 4.22Å; F244-F261 AromaticContact CE2-CD2 4Å; F244-F261 HydrophobicContact CE2-CD2 4Å; F244-F261 AromaticContact CE2-CE2 3.77Å; F244-F261 HydrophobicContact CE2-CE2 3.77Å; F244-F261 HydrophobicContact CE2-CZ 4.35Å; F244-F261 HydrophobicContact CG-CD2 4.06Å; F244-F261 HydrophobicContact CZ-CD1 4.17Å; F244-F261 AromaticContact CZ-CD2 3.54Å; F244-F261 HydrophobicContact CZ-CD2 3.54Å; F244-F261 HydrophobicContact CZ-CE1 4.09Å; F244-F261 AromaticContact CZ-CE2 3.46Å; F244-F261 HydrophobicContact CZ-CE2 3.46Å; F244-F261 VanDerWaalsContact CZ-CE2 3.46Å; F244-F261 AromaticContact CZ-CG 3.9Å; F244-F261 HydrophobicContact CZ-CG 3.9Å; F244-F261 AromaticContact CZ-CZ 3.75Å; F244-F261 HydrophobicContact CZ-CZ 3.75Å; D257-F261 WeakPolarHBondContact O-CB 3.35Å; D257-F261 PolarHBondContact O-N 3.36Å; D257-F261 VanDerWaalsContact O-N 3.12Å; I258-F261 PolarHBondContact O-N 2.83Å; F261-F263 VanDerWaalsContact C-N 3.3Å; F261-F263 PolarHBondContact O-N 3.43Å; F261-S264 WeakPolarHBondContact O-CB 3.36Å; F261-S264 PolarHBondContact O-N 2.84Å; F261-S264 VanDerWaalsContact O-N 3.15Å; F261-A265 PolarHBondContact O-N 2.8Å; F261-M272 HydrophobicContact CD1-CE 3.72Å; F261-M272 HydrophobicContact CE1-CE 3.78Å
262	A	96.2	Very high	95.1	Very high	10 Å²	10	39 Å²	39	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-35.4	175.7	0	0	0	0	0	112.6	M225 I258 A265 R266 M272	M225-A262 HydrophobicContact CE-CB 3.2Å; M225-A262 HydrophobicContact SD-CB 3.53Å; M225-A262 VanDerWaalsContact SD-CB 3.53Å; I258-A262 WeakPolarHBondContact O-CB 3.28Å; I258-A262 PolarHBondContact O-N 3.45Å; A262-A265 PolarHBondContact O-N 3.27Å; A262-R266 WeakPolarHBondContact O-CB 3.32Å; A262-R266 PolarHBondContact O-N 3.04Å; A262-M272 HydrophobicContact CB-CE 4.35Å; A262-M272 HydrophobicContact CB-SD 4.03Å
263	F	96.1	Very high	95.5	Very high	14 Å²	14	37.2 Å²	37.2	6%	0.061	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-44.3	171.4	-172.5	-85.6	0	0	0	111.1	H248 D250 Y251 W253 M259 V260 F261 A265 R266 Q267	H248-F263 HydrophobicContact CB-CD1 3.96Å; H248-F263 HydrophobicContact CB-CE1 3.86Å; H248-F263 AromaticContact CG-CE1 3.97Å; H248-F263 AromaticContact ND1-CE1 3.84Å; D250-F263 HydrophobicContact CB-CZ 4.29Å; Y251-F263 HydrophobicContact CD2-CB 3.66Å; Y251-F263 AromaticContact CD2-CD1 3.81Å; Y251-F263 HydrophobicContact CD2-CD1 3.81Å; Y251-F263 HydrophobicContact CD2-CD2 4.03Å; Y251-F263 HydrophobicContact CD2-CE1 4.43Å; Y251-F263 AromaticContact CD2-CG 3.58Å; Y251-F263 HydrophobicContact CD2-CG 3.58Å; Y251-F263 HydrophobicContact CE2-CB 3.73Å; Y251-F263 HydrophobicContact CE2-CD2 4.45Å; Y251-F263 HydrophobicContact CE2-CG 4.09Å; W253-F263 HydrophobicContact CD2-CD2 4.33Å; W253-F263 HydrophobicContact CE3-CB 4.39Å; W253-F263 HydrophobicContact CE3-CD2 4.08Å; W253-F263 AromaticContact CH2-CD2 3.63Å; W253-F263 HydrophobicContact CH2-CD2 3.63Å; W253-F263 HydrophobicContact CH2-CE2 4.37Å; W253-F263 AromaticContact CZ2-CD2 3.87Å; W253-F263 HydrophobicContact CZ2-CD2 3.87Å; W253-F263 HydrophobicContact CZ2-CE2 4.19Å; W253-F263 HydrophobicContact CZ3-CB 4.02Å; W253-F263 AromaticContact CZ3-CD2 3.73Å; W253-F263 HydrophobicContact CZ3-CD2 3.73Å; W253-F263 HydrophobicContact CZ3-CG 4.38Å; M259-F263 WeakPolarHBondContact O-CB 3.49Å; M259-F263 PolarHBondContact O-N 3.17Å; V260-F263 PolarHBondContact O-N 3.19Å; F261-F263 VanDerWaalsContact C-N 3.3Å; F261-F263 PolarHBondContact O-N 3.43Å; F263-A265 VanDerWaalsContact C-N 3.34Å; F263-A265 PolarHBondContact O-N 3.31Å; F263-R266 WeakPolarHBondContact O-CB 3.48Å; F263-R266 PolarHBondContact O-N 3.46Å; F263-Q267 HydrophobicContact CD1-CG 3.73Å; F263-Q267 HydrophobicContact CE1-CG 3.42Å; F263-Q267 VanDerWaalsContact CE1-CG 3.42Å; F263-Q267 HydrophobicContact CZ-CG 4.06Å; F263-Q267 WeakPolarHBondContact O-CG 3.16Å; F263-Q267 PolarHBondContact O-N 3.02Å
264	S	97.2	Very high	95.9	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.063	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-45.6	174	174.7	0	0	0	0	111.8	A243 V260 F261 R266 Q267 A268	A243-S264 PolarHBondContact N-OG 3.24Å; A243-S264 VanDerWaalsContact O-CB 3.26Å; A243-S264 WeakPolarHBondContact O-CB 3.33Å; A243-S264 PolarHBondContact O-OG 3.27Å; V260-S264 PolarHBondContact O-N 3.15Å; F261-S264 WeakPolarHBondContact O-CB 3.36Å; F261-S264 PolarHBondContact O-N 2.84Å; F261-S264 VanDerWaalsContact O-N 3.15Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 3.37Å; S264-Q267 PolarHBondContact O-N 2.85Å; S264-A268 WeakPolarHBondContact O-CB 3.5Å; S264-A268 PolarHBondContact O-N 3.48Å
265	A	97.5	Very high	96.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-59.4	-43.9	176.2	0	0	0	0	0	112.4	L179 L242 F261 A262 F263 A268 G269 V270 M272	L179-A265 HydrophobicContact CD2-CB 4.29Å; L242-A265 VanDerWaalsContact CD2-CA 3.43Å; L242-A265 HydrophobicContact CD2-CB 3.87Å; F261-A265 PolarHBondContact O-N 2.8Å; A262-A265 PolarHBondContact O-N 3.27Å; F263-A265 VanDerWaalsContact C-N 3.34Å; F263-A265 PolarHBondContact O-N 3.31Å; A265-A268 PolarHBondContact O-N 3.47Å; A265-G269 PolarHBondContact O-N 2.95Å; A265-V270 CarbonylContact C-O 3.55Å; A265-V270 HydrophobicContact CB-CB 4.37Å; A265-V270 PolarHBondContact O-N 3.34Å; A265-M272 HydrophobicContact CB-CG 4.43Å
266	R	95.3	Very high	96.7	Very high	172 Å²	172	29 Å²	29	65%	0.649	15%	0.152	S	C	*	.	H	α-helix	trans	-61	-45.1	175.7	-177.3	179.5	175.3	-174.1	-1.9	112.4	A262 F263 S264 A268 G269	A262-R266 WeakPolarHBondContact O-CB 3.32Å; A262-R266 PolarHBondContact O-N 3.04Å; F263-R266 WeakPolarHBondContact O-CB 3.48Å; F263-R266 PolarHBondContact O-N 3.46Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 3.37Å; R266-A268 VanDerWaalsContact C-N 3.32Å; R266-G269 PolarHBondContact O-N 3.02Å; R266-G269 VanDerWaalsContact O-N 3.15Å
267	Q	96.1	Very high	96.9	Very high	91 Å²	91	34.6 Å²	34.6	43%	0.425	17%	0.172	S	C	.	.	H	α-helix	trans	-67.2	-34	178.9	-64.5	-54.8	-22.1	0	0	112.4	F263 S264 G269	F263-Q267 HydrophobicContact CD1-CG 3.73Å; F263-Q267 HydrophobicContact CE1-CG 3.42Å; F263-Q267 VanDerWaalsContact CE1-CG 3.42Å; F263-Q267 HydrophobicContact CZ-CG 4.06Å; F263-Q267 WeakPolarHBondContact O-CG 3.16Å; F263-Q267 PolarHBondContact O-N 3.02Å; S264-Q267 PolarHBondContact O-N 2.85Å; Q267-G269 PolarHBondContact O-N 2.92Å
268	A	96.8	Very high	97	Very high	19 Å²	19	37.1 Å²	37.1	16%	0.157	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.8	173.9	0	0	0	0	0	113.8	D241 L242 S264 A265 R266 V270	D241-A268 HydrophobicContact CB-CB 3.84Å; L242-A268 HydrophobicContact CD2-CB 3.96Å; S264-A268 WeakPolarHBondContact O-CB 3.5Å; S264-A268 PolarHBondContact O-N 3.48Å; A265-A268 PolarHBondContact O-N 3.47Å; R266-A268 VanDerWaalsContact C-N 3.32Å; A268-V270 HydrophobicContact CB-CG2 3.99Å; A268-V270 PolarHBondContact O-N 2.74Å
269	G	96.8	Very high	97	Very high	68 Å²	68	39.3 Å²	39.3	70%	0.701	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	22.4	-175.1	0	0	0	0	0	113.8	A265 R266 Q267	A265-G269 PolarHBondContact O-N 2.95Å; R266-G269 PolarHBondContact O-N 3.02Å; R266-G269 VanDerWaalsContact O-N 3.15Å; Q267-G269 PolarHBondContact O-N 2.92Å
270	V	98.2	Very high	97.1	Very high	10 Å²	10	39.1 Å²	39.1	6%	0.061	19%	0.192	C	C	.	.			trans	-96	113.9	-179	176.6	0	0	0	0	110	T178 L179 A238 L242 A265 A268	T178-V270 HydrophobicContact CG2-CG1 3.89Å; T178-V270 HydrophobicContact CG2-CG2 4.35Å; L179-V270 HydrophobicContact CB-CG1 3.9Å; L179-V270 HydrophobicContact CD2-CG1 4.25Å; A238-V270 HydrophobicContact CB-CG2 3.73Å; L242-V270 HydrophobicContact CD1-CG1 4.45Å; L242-V270 HydrophobicContact CD1-CG2 4.45Å; L242-V270 HydrophobicContact CD2-CB 4.16Å; L242-V270 HydrophobicContact CD2-CG2 4.09Å; L242-V270 HydrophobicContact CG-CG2 4.34Å; A265-V270 CarbonylContact C-O 3.55Å; A265-V270 HydrophobicContact CB-CB 4.37Å; A265-V270 PolarHBondContact O-N 3.34Å; A268-V270 HydrophobicContact CB-CG2 3.99Å; A268-V270 PolarHBondContact O-N 2.74Å
271	Q	98	Very high	97.1	Very high	88 Å²	88	39 Å²	39	41%	0.411	19%	0.192	S	C	.	.			trans	-76.1	128.7	172.6	-179.2	60.6	65.8	0	0	110.6	P222 V223 Y273	P222-Q271 HydrophobicContact CB-CG 3.88Å; V223-Q271 PolarHBondContact O-NE2 3.18Å; Q271-Y273 HydrophobicContact CB-CD2 4.48Å; Q271-Y273 HydrophobicContact CB-CE2 3.69Å; Q271-Y273 HydrophobicContact CG-CD2 4.08Å; Q271-Y273 HydrophobicContact CG-CE1 4.34Å; Q271-Y273 HydrophobicContact CG-CE2 3.42Å; Q271-Y273 VanDerWaalsContact CG-CE2 3.42Å; Q271-Y273 WeakPolarHBondContact O-CD2 3.39Å; Q271-Y273 WeakPolarHBondContact O-CE2 3.3Å
272	M	98.6	Very high	97	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	143.9	169.7	-69.8	173.5	130.1	0	0	110.8	L179 P222 V223 V226 F261 A262 A265	L179-M272 HydrophobicContact CD2-CB 4.5Å; L179-M272 HydrophobicContact CD2-CE 3.87Å; L179-M272 HydrophobicContact CD2-CG 3.44Å; L179-M272 VanDerWaalsContact CD2-CG 3.44Å; L179-M272 HydrophobicContact CD2-SD 4.47Å; L179-M272 HydrophobicContact CG-CG 4.04Å; P222-M272 WeakPolarHBondContact CA-O 3.3Å; V223-M272 HydrophobicContact CG2-CB 4.41Å; V223-M272 PolarHBondContact N-O 3.46Å; V223-M272 WeakPolarHBondContact O-CB 3.4Å; V223-M272 VanDerWaalsContact O-O 3.13Å; V226-M272 HydrophobicContact CG1-CB 4.47Å; V226-M272 HydrophobicContact CG2-CB 4.24Å; V226-M272 HydrophobicContact CG2-CE 3.67Å; V226-M272 HydrophobicContact CG2-CG 4.21Å; V226-M272 HydrophobicContact CG2-SD 4.2Å; V226-M272 PolarHBondContact N-SD 2.86Å; V226-M272 WeakPolarHBondContact O-CE 3.49Å; F261-M272 HydrophobicContact CD1-CE 3.72Å; F261-M272 HydrophobicContact CE1-CE 3.78Å; A262-M272 HydrophobicContact CB-CE 4.35Å; A262-M272 HydrophobicContact CB-SD 4.03Å; A265-M272 HydrophobicContact CB-CG 4.43Å
273	Y	98.8	Very high	97	Very high	61 Å²	61	39.1 Å²	39.1	24%	0.239	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.7	176.6	-68	-98.4	0	0	0	111.7	L177 L179 V180 A181 F221 P222 V226 Q271	L177-Y273 HydrophobicContact CB-CD2 4.36Å; L177-Y273 HydrophobicContact CD1-CD1 3.97Å; L177-Y273 HydrophobicContact CD1-CD2 3.95Å; L177-Y273 HydrophobicContact CD1-CG 3.62Å; L177-Y273 HydrophobicContact CD2-CD1 4.39Å; L177-Y273 HydrophobicContact CD2-CD2 3.97Å; L177-Y273 HydrophobicContact CD2-CE1 4.24Å; L177-Y273 HydrophobicContact CD2-CE2 3.8Å; L177-Y273 HydrophobicContact CD2-CG 4.27Å; L177-Y273 HydrophobicContact CG-CD2 4.31Å; L177-Y273 HydrophobicContact CG-CG 4.44Å; L179-Y273 PolarHBondContact O-N 2.92Å; V180-Y273 CarbonylContact C-O 3.47Å; V180-Y273 WeakPolarHBondContact CA-O 3.37Å; A181-Y273 PolarHBondContact N-O 3.34Å; F221-Y273 VanDerWaalsContact O-CA 3.26Å; F221-Y273 WeakPolarHBondContact O-CA 3.12Å; P222-Y273 HydrophobicContact CB-CD1 4.26Å; P222-Y273 HydrophobicContact CB-CE1 3.9Å; V226-Y273 WeakPolarHBondContact CG1-O 3.07Å; Q271-Y273 HydrophobicContact CB-CD2 4.48Å; Q271-Y273 HydrophobicContact CB-CE2 3.69Å; Q271-Y273 HydrophobicContact CG-CD2 4.08Å; Q271-Y273 HydrophobicContact CG-CE1 4.34Å; Q271-Y273 HydrophobicContact CG-CE2 3.42Å; Q271-Y273 VanDerWaalsContact CG-CE2 3.42Å; Q271-Y273 WeakPolarHBondContact O-CD2 3.39Å; Q271-Y273 WeakPolarHBondContact O-CE2 3.3Å
274	V	98.6	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.5	164.9	64.4	0	0	0	0	109.1	A181 M183 F193 I212 C220 F221 V223 V226	A181-V274 CarbonylContact O-C 3.53Å; A181-V274 WeakPolarHBondContact O-CA 3.21Å; M183-V274 HydrophobicContact CB-CG2 3.75Å; M183-V274 HydrophobicContact CG-CG2 4.07Å; F193-V274 HydrophobicContact CB-CB 3.97Å; F193-V274 HydrophobicContact CB-CG1 4.33Å; F193-V274 HydrophobicContact CB-CG2 4.04Å; F193-V274 HydrophobicContact CD1-CB 4.37Å; F193-V274 HydrophobicContact CD1-CG1 4.42Å; F193-V274 HydrophobicContact CD1-CG2 3.71Å; F193-V274 HydrophobicContact CD2-CB 4.34Å; F193-V274 HydrophobicContact CD2-CG1 3.78Å; F193-V274 HydrophobicContact CE1-CG2 4.29Å; F193-V274 HydrophobicContact CE2-CG1 4.14Å; F193-V274 HydrophobicContact CG-CB 3.98Å; F193-V274 HydrophobicContact CG-CG1 3.92Å; F193-V274 HydrophobicContact CG-CG2 3.83Å; I212-V274 HydrophobicContact CG2-CG1 4.45Å; C220-V274 CarbonylContact C-O 3.58Å; C220-V274 VanDerWaalsContact CA-O 3.24Å; C220-V274 WeakPolarHBondContact CA-O 3.27Å; F221-V274 HydrophobicContact CB-CG1 4.3Å; F221-V274 PolarHBondContact N-O 2.64Å; F221-V274 PolarHBondContact O-N 2.65Å; V223-V274 HydrophobicContact CG1-CG1 3.68Å; V223-V274 HydrophobicContact CG2-CB 4.21Å; V223-V274 HydrophobicContact CG2-CG1 4.19Å; V226-V274 HydrophobicContact CG1-CB 4.29Å
275	C	98.6	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.6	178.1	-154.1	0	0	0	0	112.6	L172 V180 A181 M183 G219 C220 Y280	L172-C275 HydrophobicContact CD2-CB 4.21Å; V180-C275 HydrophobicContact CG2-CB 4.17Å; A181-C275 PolarHBondContact O-N 2.79Å; M183-C275 VanDerWaalsContact CB-O 3.29Å; M183-C275 WeakPolarHBondContact CB-O 3.41Å; M183-C275 PolarHBondContact N-O 3.16Å; G219-C275 WeakPolarHBondContact O-CA 3.28Å; G219-C275 PolarHBondContact O-SG 2.67Å; G219-C275 VanDerWaalsContact O-SG 3.32Å; C220-C275 HydrophobicContact CB-CB 3.74Å; C220-C275 WeakPolarHBondContact CB-SG 3.34Å; C220-C275 WeakPolarHBondContact SG-CB 3.26Å; C220-C275 CovalentContact SG-SG 2.06Å; C220-C275 PolarHBondContact SG-SG 3.4Å; C275-Y280 HydrophobicContact CB-CE2 4.46Å; C275-Y280 WeakPolarHBondContact O-CE2 3.11Å
276	N	97.9	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.			trans	-127.3	23.3	-178.9	73.5	-11.6	0	0	0	113.2	M183 I212 W215 R217 L218 G219 F221 E278	M183-N276 HydrophobicContact CB-CB 3.85Å; M183-N276 HydrophobicContact CE-CB 3.51Å; M183-N276 HydrophobicContact CG-CB 4.38Å; M183-N276 HydrophobicContact SD-CB 3.66Å; I212-N276 PolarHBondContact O-ND2 3.45Å; W215-N276 PolarHBondContact NE1-O 3.24Å; W215-N276 VanDerWaalsContact NE1-O 3.12Å; R217-N276 PolarHBondContact O-ND2 2.74Å; R217-N276 PolarHBondContact O-OD1 2.76Å; L218-N276 WeakPolarHBondContact CA-OD1 3.31Å; L218-N276 WeakPolarHBondContact CD2-O 3.4Å; G219-N276 PolarHBondContact N-OD1 2.69Å; G219-N276 PolarHBondContact O-N 3.36Å; G219-N276 PolarHBondContact O-OD1 2.82Å; F221-N276 WeakPolarHBondContact CE2-OD1 3.49Å; N276-E278 PolarHBondContact O-N 2.97Å
277	R	97.2	Very high	95.9	Very high	134 Å²	134	35.6 Å²	35.6	51%	0.506	19%	0.189	S	C	.	.	S	Bend	trans	-62.9	-29.2	179.5	-67.7	-176.7	-175.3	-78.1	2.2	113.9	E175	E175-R277 WeakPolarHBondContact OE1-CD 3.33Å; E175-R277 IonicContact OE1-CZ 4Å; E175-R277 IonicContact OE1-NE 3.12Å; E175-R277 PolarHBondContact OE1-NE 2.85Å; E175-R277 IonicContact OE2-NE 2.74Å; E175-R277 IonicContact OE2-NH2 3.98Å
278	E	95.7	Very high	95.7	Very high	57 Å²	57	35.7 Å²	35.7	27%	0.266	19%	0.188	S	C	.	.	S	Bend	trans	-127.9	166.6	172.6	-62.5	-163.6	-167.9	0	0	109.2	N165 R167 L171 N276 Y280	N165-E278 PolarHBondContact ND2-OE2 2.76Å; R167-E278 IonicContact CZ-OE2 2.77Å; R167-E278 IonicContact NH2-OE1 3.49Å; R167-E278 PolarHBondContact NH2-OE1 3.22Å; R167-E278 VanDerWaalsContact NH2-OE1 3.09Å; R167-E278 IonicContact NH2-OE2 3.53Å; R167-E278 PolarHBondContact NH2-OE2 2.89Å; L171-E278 VanDerWaalsContact CD1-CD 3.46Å; L171-E278 HydrophobicContact CD1-CG 4.29Å; L171-E278 WeakPolarHBondContact CD1-OE2 3.24Å; N276-E278 PolarHBondContact O-N 2.97Å; E278-Y280 HydrophobicContact CB-CE1 4.11Å; E278-Y280 HydrophobicContact CB-CE2 4.45Å; E278-Y280 WeakPolarHBondContact O-CD2 3.37Å; E278-Y280 VanDerWaalsContact O-CE2 3.32Å; E278-Y280 WeakPolarHBondContact O-CE2 3.21Å; E278-Y280 PolarHBondContact O-N 3.43Å
279	H	94.8	Very high	95.3	Very high	72 Å²	72	35.4 Å²	35.4	33%	0.333	19%	0.186	S	C	.	.			trans	-78.6	115	163.4	-68.4	-100.7	0	0	0	107.2	N165 E185 W215	N165-H279 WeakPolarHBondContact CB-O 3.35Å; N165-H279 PolarHBondContact ND2-O 2.88Å; N165-H279 VanDerWaalsContact ND2-O 3.14Å; E185-H279 IonicContact OE2-CE1 3.43Å; E185-H279 IonicContact OE2-ND1 2.73Å; E185-H279 PolarHBondContact OE2-ND1 2.88Å; W215-H279 AromaticContact CD2-CE1 3.81Å; W215-H279 AromaticContact CE2-CE1 3.64Å; W215-H279 AromaticContact CE2-ND1 3.81Å; W215-H279 AromaticContact CE2-NE2 4Å; W215-H279 AromaticContact CH2-ND1 3.9Å; W215-H279 AromaticContact CZ2-CE1 3.81Å; W215-H279 AromaticContact CZ2-ND1 3.56Å; W215-H279 AromaticContact NE1-NE2 3.95Å
280	Y	96.8	Very high	95	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.012	18%	0.184	C	C	.	.			trans	-98.5	-28.3	-172.6	-67.4	-71.8	0	0	0	113.5	L163 T164 N165 V168 L171 P182 C275 E278	L163-Y280 CarbonylContact C-O 3.54Å; T164-Y280 PolarHBondContact N-O 2.59Å; N165-Y280 PolarHBondContact N-O 2.8Å; N165-Y280 VanDerWaalsContact N-O 3.14Å; V168-Y280 HydrophobicContact CB-CD1 4.16Å; V168-Y280 HydrophobicContact CG2-CD1 3.77Å; V168-Y280 HydrophobicContact CG2-CE1 4.46Å; V168-Y280 HydrophobicContact CG2-CG 4.38Å; L171-Y280 HydrophobicContact CB-CE1 4.06Å; L171-Y280 HydrophobicContact CD1-CE1 3.82Å; P182-Y280 VanDerWaalsContact CB-CB 3.47Å; P182-Y280 HydrophobicContact CB-CD1 4.15Å; P182-Y280 HydrophobicContact CB-CD2 3.73Å; P182-Y280 HydrophobicContact CB-CG 3.51Å; C275-Y280 HydrophobicContact CB-CE2 4.46Å; C275-Y280 WeakPolarHBondContact O-CE2 3.11Å; E278-Y280 HydrophobicContact CB-CE1 4.11Å; E278-Y280 HydrophobicContact CB-CE2 4.45Å; E278-Y280 WeakPolarHBondContact O-CD2 3.37Å; E278-Y280 VanDerWaalsContact O-CE2 3.32Å; E278-Y280 WeakPolarHBondContact O-CE2 3.21Å; E278-Y280 PolarHBondContact O-N 3.43Å
281	G	96.1	Very high	94.8	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.021	19%	0.191	C	C	.	.			trans	164.2	-178.9	-174.5	0	0	0	0	0	114.2	L162 T164 E185	L162-G281 CarbonylContact O-C 3.54Å; L162-G281 WeakPolarHBondContact O-CA 3.4Å; T164-G281 WeakPolarHBondContact OG1-CA 3.33Å; E185-G281 WeakPolarHBondContact CB-O 3.23Å; E185-G281 PolarHBondContact N-O 3.19Å
282	F	96.4	Very high	94.5	Very high	12 Å²	12	40 Å²	40	5%	0.053	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-120.2	151.6	-176.8	-62.6	-102.1	0	0	0	111.6	N161 L162 T164 M184 E185 T303 A307 H311	N161-F282 CarbonylContact C-O 3.49Å; L162-F282 HydrophobicContact CB-CB 4.34Å; L162-F282 PolarHBondContact N-O 2.66Å; L162-F282 PolarHBondContact O-N 2.91Å; T164-F282 HydrophobicContact CG2-CD2 3.74Å; T164-F282 HydrophobicContact CG2-CE2 4Å; M184-F282 WeakPolarHBondContact CE-O 3.48Å; E185-F282 HydrophobicContact CB-CD1 3.88Å; E185-F282 HydrophobicContact CB-CE1 4.03Å; E185-F282 HydrophobicContact CB-CG 4.39Å; E185-F282 HydrophobicContact CG-CD1 4.12Å; E185-F282 HydrophobicContact CG-CE1 3.96Å; E185-F282 CarbonylContact O-C 3.48Å; E185-F282 WeakPolarHBondContact O-CA 3.22Å; F282-T303 HydrophobicContact CB-CG2 3.82Å; F282-A307 HydrophobicContact CD1-CB 4.35Å; F282-A307 HydrophobicContact CD2-CB 3.54Å; F282-A307 HydrophobicContact CE2-CB 3.77Å; F282-A307 HydrophobicContact CG-CB 3.89Å; F282-A307 HydrophobicContact CZ-CB 4.25Å; F282-H311 AromaticContact CE2-CD2 3.51Å; F282-H311 AromaticContact CE2-NE2 3.77Å
283	L	95.4	Very high	94.1	Very high	4 Å²	4	41 Å²	41	2%	0.021	20%	0.197	C	C	.	.			trans	-134.5	146.6	169.4	82.1	164.6	0	0	0	111.3	N161 M184 E185 S186 Y190 N192	N161-L283 WeakPolarHBondContact OD1-CB 3.49Å; M184-L283 HydrophobicContact CB-CB 4.26Å; M184-L283 HydrophobicContact CB-CD2 3.49Å; M184-L283 VanDerWaalsContact CB-CD2 3.49Å; M184-L283 HydrophobicContact CB-CG 4.29Å; M184-L283 WeakPolarHBondContact O-CD2 3.44Å; E185-L283 PolarHBondContact O-N 2.75Å; S186-L283 WeakPolarHBondContact CB-O 3.29Å; Y190-L283 HydrophobicContact CD1-CD1 4.18Å; Y190-L283 HydrophobicContact CD1-CG 4.4Å; Y190-L283 HydrophobicContact CE1-CD1 3.54Å; Y190-L283 HydrophobicContact CE1-CG 4.16Å; N192-L283 HydrophobicContact CB-CD1 4.12Å
284	P	93.8	Very high	93.7	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.084	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-70	157.8	171.9	31.3	-35.6	0	0	0	111.3	D160	D160-P284 HydrophobicContact CB-CG 3.93Å; D160-P284 VanDerWaalsContact O-CD 3.26Å; D160-P284 WeakPolarHBondContact O-CD 3.39Å; D160-P284 VanDerWaalsContact OD2-CG 3.28Å; D160-P284 WeakPolarHBondContact OD2-CG 3.4Å
285	V	90.6	Very high	93.4	Very high	49 Å²	49	44.1 Å²	44.1	30%	0.297	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-78.1	133.5	168.1	-178.7	0	0	0	0	108.1
286	P	88.9	Confident	93.1	Very high	39 Å²	39	45.5 Å²	45.5	25%	0.253	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-54.9	144.3	177.2	-26.7	33.5	0	0	0	112.1	Y190	Y190-P286 HydrophobicContact CE1-CG 3.85Å; Y190-P286 HydrophobicContact CE2-CG 3.7Å; Y190-P286 WeakPolarHBondContact OH-CG 3.4Å
287	L	89.9	Confident	92.8	Very high	21 Å²	21	47.1 Å²	47.1	11%	0.11	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-88.7	153.7	175.6	-62.5	-169.2	0	0	0	111.6	K125 Q291 D295 E296	K125-L287 HydrophobicContact CD-CD1 4.43Å; K125-L287 HydrophobicContact CG-CB 4.3Å; K125-L287 HydrophobicContact CG-CD1 4.31Å; L287-Q291 HydrophobicContact CB-CB 4.07Å; L287-Q291 HydrophobicContact CD1-CB 4Å; L287-D295 HydrophobicContact CD1-CB 3.97Å; L287-E296 HydrophobicContact CD1-CB 3.64Å; L287-E296 HydrophobicContact CD1-CG 4.32Å
288	K	90.9	Very high	92.4	Very high	93 Å²	93	42.3 Å²	42.3	40%	0.404	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-66	149.1	169.7	-58.8	-177	178	-175.5	0	110.4	Q290 Q291 D602	K288-Q290 PolarHBondContact O-N 3.49Å; K288-Q291 HydrophobicContact CB-CG 4.25Å; K288-Q291 VanDerWaalsContact O-CB 3.32Å; K288-Q291 WeakPolarHBondContact O-CB 3.35Å; K288-Q291 PolarHBondContact O-N 3.17Å; K288-D602 IonicContact NZ-OD2 3.91Å; K288-D602 PolarHBondContact NZ-OD2 3.32Å
289	A	89.7	Confident	92.2	Very high	13 Å²	13	40.8 Å²	40.8	11%	0.107	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.2	-178	0	0	0	0	0	115.3	W122 Y126 Q291	W122-A289 HydrophobicContact CH2-CB 3.42Å; W122-A289 VanDerWaalsContact CH2-CB 3.42Å; W122-A289 WeakPolarHBondContact CH2-O 3.42Å; W122-A289 HydrophobicContact CZ2-CB 3.4Å; W122-A289 VanDerWaalsContact CZ2-CB 3.4Å; Y126-A289 HydrophobicContact CD2-CB 4.06Å; A289-Q291 VanDerWaalsContact C-N 3.3Å
290	Q	90.9	Very high	92.1	Very high	140 Å²	140	37.5 Å²	37.5	65%	0.654	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.8	177.3	-58.1	74.9	14.1	0	0	114	W122 K288	W122-Q290 HydrophobicContact CH2-CB 4.36Å; W122-Q290 HydrophobicContact CH2-CG 3.73Å; W122-Q290 HydrophobicContact CZ3-CB 4.17Å; W122-Q290 HydrophobicContact CZ3-CG 3.77Å; K288-Q290 PolarHBondContact O-N 3.49Å
291	Q	92.2	Very high	91.9	Very high	48 Å²	48	38.8 Å²	38.8	22%	0.224	20%	0.201	C	C	.	.			trans	-80.8	159.9	-178	-61.7	-176.4	-96.1	0	0	111.2	K125 L287 K288 A289 D295	K125-Q291 WeakPolarHBondContact CB-O 3.33Å; K125-Q291 VanDerWaalsContact CG-O 3.23Å; K125-Q291 WeakPolarHBondContact CG-O 3.29Å; L287-Q291 HydrophobicContact CB-CB 4.07Å; L287-Q291 HydrophobicContact CD1-CB 4Å; K288-Q291 HydrophobicContact CB-CG 4.25Å; K288-Q291 VanDerWaalsContact O-CB 3.32Å; K288-Q291 WeakPolarHBondContact O-CB 3.35Å; K288-Q291 PolarHBondContact O-N 3.17Å; A289-Q291 VanDerWaalsContact C-N 3.3Å; Q291-D295 WeakPolarHBondContact CA-OD2 3.44Å; Q291-D295 HydrophobicContact CB-CB 3.99Å; Q291-D295 WeakPolarHBondContact CB-OD2 3.42Å
292	N	91.8	Very high	91.6	Very high	73 Å²	73	39.4 Å²	39.4	39%	0.39	20%	0.204	S	C	.	.			trans	-114.9	-175.9	-174.6	63.5	52.4	0	0	0	112.4	Q294 D295 E296	N292-Q294 VanDerWaalsContact C-N 3.3Å; N292-Q294 PolarHBondContact O-N 3.14Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.47Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.38Å; N292-Q294 PolarHBondContact OD1-N 2.98Å; N292-D295 PolarHBondContact N-OD2 3.02Å; N292-D295 PolarHBondContact ND2-OD2 3.24Å; N292-D295 PolarHBondContact O-N 2.88Å; N292-D295 PolarHBondContact OD1-N 2.6Å; N292-D295 PolarHBondContact OD1-OD2 3.21Å; N292-E296 PolarHBondContact O-N 3.43Å
293	V	91.7	Very high	91.4	Very high	26 Å²	26	39.4 Å²	39.4	16%	0.158	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-29.1	-179.6	-178	0	0	0	0	112.4	N54 V86 P124 E296 T297	N54-V293 HydrophobicContact CB-CG1 4.33Å; N54-V293 HydrophobicContact CB-CG2 3.89Å; V86-V293 HydrophobicContact CG2-CG2 4.29Å; P124-V293 HydrophobicContact CB-CG2 3.98Å; P124-V293 HydrophobicContact CG-CG2 4.01Å; V293-E296 PolarHBondContact O-N 3.24Å; V293-T297 PolarHBondContact O-N 3.04Å; V293-T297 PolarHBondContact O-OG1 3.42Å
294	Q	90.5	Very high	91.3	Very high	107 Å²	107	39.4 Å²	39.4	50%	0.5	21%	0.205	S	C	.	.	H	α-helix	trans	-69.2	-41.8	175.4	-178.8	61.1	32.5	0	0	111.1	N292 E296 T297 E298	N292-Q294 VanDerWaalsContact C-N 3.3Å; N292-Q294 PolarHBondContact O-N 3.14Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.47Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.38Å; N292-Q294 PolarHBondContact OD1-N 2.98Å; Q294-E296 PolarHBondContact O-N 3.43Å; Q294-T297 WeakPolarHBondContact O-CB 3.43Å; Q294-T297 PolarHBondContact O-N 3.49Å; Q294-E298 PolarHBondContact NE2-OE1 3.46Å; Q294-E298 PolarHBondContact O-N 3.1Å
295	D	91.4	Very high	91.2	Very high	21 Å²	21	39 Å²	39	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-35.1	174.1	-62.1	-53.1	0	0	0	111.4	L287 Q291 N292 S299 R437	L287-D295 HydrophobicContact CD1-CB 3.97Å; Q291-D295 WeakPolarHBondContact CA-OD2 3.44Å; Q291-D295 HydrophobicContact CB-CB 3.99Å; Q291-D295 WeakPolarHBondContact CB-OD2 3.42Å; N292-D295 PolarHBondContact N-OD2 3.02Å; N292-D295 PolarHBondContact ND2-OD2 3.24Å; N292-D295 PolarHBondContact O-N 2.88Å; N292-D295 PolarHBondContact OD1-N 2.6Å; N292-D295 PolarHBondContact OD1-OD2 3.21Å; D295-S299 WeakPolarHBondContact O-CB 3.35Å; D295-S299 PolarHBondContact O-N 3.29Å; D295-R437 IonicContact OD1-NH1 2.79Å
296	E	91.9	Very high	91.1	Very high	28 Å²	28	38.4 Å²	38.4	13%	0.131	20%	0.196	C	C	.	.	H	α-helix	trans	-70.5	-42.1	176	-170	179.3	-125.7	0	0	112	H57 K125 L287 N292 V293 Q294 E298 S299 F300	H57-E296 IonicContact CE1-OE2 3.57Å; H57-E296 PolarHBondContact CE1-OE2 3.3Å; H57-E296 IonicContact ND1-OE2 3.53Å; H57-E296 IonicContact NE2-OE2 2.82Å; K125-E296 VanDerWaalsContact CE-CD 3.44Å; K125-E296 WeakPolarHBondContact CE-OE1 3.39Å; K125-E296 VanDerWaalsContact CE-OE2 3.26Å; K125-E296 WeakPolarHBondContact CE-OE2 3.5Å; K125-E296 IonicContact NZ-OE1 3.12Å; K125-E296 PolarHBondContact NZ-OE1 3.01Å; K125-E296 IonicContact NZ-OE2 3.37Å; K125-E296 PolarHBondContact NZ-OE2 2.83Å; L287-E296 HydrophobicContact CD1-CB 3.64Å; L287-E296 HydrophobicContact CD1-CG 4.32Å; N292-E296 PolarHBondContact O-N 3.43Å; V293-E296 PolarHBondContact O-N 3.24Å; Q294-E296 PolarHBondContact O-N 3.43Å; E296-E298 VanDerWaalsContact C-N 3.29Å; E296-E298 PolarHBondContact O-N 2.89Å; E296-S299 WeakPolarHBondContact O-CB 3.29Å; E296-S299 PolarHBondContact O-N 2.77Å; E296-S299 VanDerWaalsContact O-N 3.17Å; E296-F300 WeakPolarHBondContact O-CB 3.46Å; E296-F300 PolarHBondContact O-N 3.12Å
297	T	91.9	Very high	91.2	Very high	34 Å²	34	36.6 Å²	36.6	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-56.6	-46.3	174.2	-59.5	0	0	0	0	110.5	H57 V293 Q294 F300 I301	H57-T297 HydrophobicContact CB-CG2 3.96Å; H57-T297 WeakPolarHBondContact CB-OG1 3.06Å; V293-T297 PolarHBondContact O-N 3.04Å; V293-T297 PolarHBondContact O-OG1 3.42Å; Q294-T297 WeakPolarHBondContact O-CB 3.43Å; Q294-T297 PolarHBondContact O-N 3.49Å; T297-F300 PolarHBondContact O-N 3.46Å; T297-I301 HydrophobicContact CG2-CD1 4.11Å; T297-I301 WeakPolarHBondContact O-CD1 3.4Å; T297-I301 VanDerWaalsContact O-CG1 3.24Å; T297-I301 WeakPolarHBondContact O-CG1 3.06Å; T297-I301 PolarHBondContact O-N 2.94Å
298	E	89.4	Confident	91.2	Very high	34 Å²	34	36.3 Å²	36.3	16%	0.159	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-39.9	176.6	-70.9	177.6	-164.3	0	0	112.9	Q294 E296 H302 R434	Q294-E298 PolarHBondContact NE2-OE1 3.46Å; Q294-E298 PolarHBondContact O-N 3.1Å; E296-E298 VanDerWaalsContact C-N 3.29Å; E296-E298 PolarHBondContact O-N 2.89Å; E298-H302 PolarHBondContact O-N 3.45Å; E298-R434 HydrophobicContact CB-CG 4.43Å; E298-R434 WeakPolarHBondContact OE2-CG 3.28Å
299	S	90.6	Very high	91	Very high	25 Å²	25	33.5 Å²	33.5	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-44.6	175.4	-170.3	0	0	0	0	111.5	D295 E296 H302 T303	D295-S299 WeakPolarHBondContact O-CB 3.35Å; D295-S299 PolarHBondContact O-N 3.29Å; E296-S299 WeakPolarHBondContact O-CB 3.29Å; E296-S299 PolarHBondContact O-N 2.77Å; E296-S299 VanDerWaalsContact O-N 3.17Å; S299-H302 WeakPolarHBondContact O-CB 3.18Å; S299-H302 PolarHBondContact O-N 3.27Å; S299-H302 VanDerWaalsContact O-N 3.17Å; S299-T303 PolarHBondContact O-N 2.91Å; S299-T303 PolarHBondContact O-OG1 2.99Å
300	F	93.4	Very high	90.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-34.9	-178.5	-170.8	-102.3	0	0	0	112.9	H57 H61 D160 L162 E296 T297 H302 T303 I304	H57-F300 AromaticContact CD2-CD1 3.84Å; H57-F300 AromaticContact CD2-CG 3.68Å; H61-F300 HydrophobicContact CB-CE1 4.43Å; H61-F300 HydrophobicContact CB-CZ 4.49Å; D160-F300 HydrophobicContact CB-CD2 4.34Å; D160-F300 HydrophobicContact CB-CE2 4.18Å; D160-F300 WeakPolarHBondContact O-CE2 3.32Å; L162-F300 HydrophobicContact CD1-CE2 4.4Å; L162-F300 HydrophobicContact CD1-CZ 4.2Å; L162-F300 HydrophobicContact CD2-CE2 4.33Å; L162-F300 HydrophobicContact CD2-CZ 3.77Å; L162-F300 HydrophobicContact CG-CE2 4.27Å; L162-F300 HydrophobicContact CG-CZ 4.13Å; E296-F300 WeakPolarHBondContact O-CB 3.46Å; E296-F300 PolarHBondContact O-N 3.12Å; T297-F300 PolarHBondContact O-N 3.46Å; F300-H302 PolarHBondContact O-N 3.14Å; F300-T303 WeakPolarHBondContact O-CA 3.19Å; F300-T303 WeakPolarHBondContact O-CB 3.16Å; F300-T303 PolarHBondContact O-N 3.23Å; F300-I304 HydrophobicContact CD1-CD1 3.55Å; F300-I304 HydrophobicContact CD1-CG1 3.99Å; F300-I304 HydrophobicContact CE1-CD1 3.41Å; F300-I304 VanDerWaalsContact CE1-CD1 3.41Å; F300-I304 HydrophobicContact CE1-CG1 3.65Å; F300-I304 HydrophobicContact CZ-CD1 4.45Å; F300-I304 HydrophobicContact CZ-CG1 4.24Å; F300-I304 PolarHBondContact O-N 2.69Å
301	I	91.5	Very high	90.5	Very high	31 Å²	31	34 Å²	34	16%	0.159	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-38.6	171.8	-72.2	162.8	0	0	0	110.7	T297 I304 S305 A355 M356	T297-I301 HydrophobicContact CG2-CD1 4.11Å; T297-I301 WeakPolarHBondContact O-CD1 3.4Å; T297-I301 VanDerWaalsContact O-CG1 3.24Å; T297-I301 WeakPolarHBondContact O-CG1 3.06Å; T297-I301 PolarHBondContact O-N 2.94Å; I301-I304 PolarHBondContact O-N 3.33Å; I301-S305 WeakPolarHBondContact O-CB 3.29Å; I301-S305 PolarHBondContact O-N 3.47Å; I301-S305 PolarHBondContact O-OG 3.37Å; I301-A355 WeakPolarHBondContact CD1-O 3.42Å; I301-A355 HydrophobicContact CG2-CB 4.41Å; I301-M356 HydrophobicContact CG2-CG 3.47Å; I301-M356 VanDerWaalsContact CG2-CG 3.47Å
302	H	90.9	Very high	89.9	Confident	15 Å²	15	37.4 Å²	37.4	7%	0.069	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-43.3	173.6	177	75.1	0	0	0	111.6	R187 E298 S299 F300 I304 S305 E306 F431 P433	R187-H302 WeakPolarHBondContact CD-NE2 3.5Å; E298-H302 PolarHBondContact O-N 3.45Å; S299-H302 WeakPolarHBondContact O-CB 3.18Å; S299-H302 PolarHBondContact O-N 3.27Å; S299-H302 VanDerWaalsContact O-N 3.17Å; F300-H302 PolarHBondContact O-N 3.14Å; H302-I304 VanDerWaalsContact C-N 3.33Å; H302-I304 PolarHBondContact O-N 2.89Å; H302-S305 WeakPolarHBondContact O-CA 3.41Å; H302-S305 WeakPolarHBondContact O-CB 3.29Å; H302-S305 PolarHBondContact O-N 3Å; H302-E306 IonicContact CE1-OE1 3.63Å; H302-E306 PolarHBondContact CE1-OE1 3.1Å; H302-E306 PolarHBondContact O-N 3.16Å; H302-F431 PolarHBondContact CE1-O 3.36Å; H302-F431 VanDerWaalsContact CE1-O 3.28Å; H302-F431 PolarHBondContact ND1-O 3.26Å; H302-P433 HydrophobicContact CB-CG 4.15Å
303	T	93	Very high	89.7	Confident	11 Å²	11	34.1 Å²	34.1	7%	0.067	17%	0.174	C	C	.	.	H	α-helix	trans	-57.2	-43.5	174.3	-55.5	0	0	0	0	112.4	L162 F282 S299 F300 S305 A307	L162-T303 HydrophobicContact CD1-CG2 4.04Å; F282-T303 HydrophobicContact CB-CG2 3.82Å; S299-T303 PolarHBondContact O-N 2.91Å; S299-T303 PolarHBondContact O-OG1 2.99Å; F300-T303 WeakPolarHBondContact O-CA 3.19Å; F300-T303 WeakPolarHBondContact O-CB 3.16Å; F300-T303 PolarHBondContact O-N 3.23Å; T303-S305 VanDerWaalsContact C-N 3.33Å; T303-A307 WeakPolarHBondContact O-CB 3.05Å; T303-A307 PolarHBondContact O-N 3.05Å
304	I	92.8	Very high	89.5	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-45.1	173.1	-65.8	159.9	0	0	0	110.4	H61 L162 F300 I301 H302 E306 A307 L308	H61-I304 WeakPolarHBondContact ND1-CD1 3.26Å; L162-I304 HydrophobicContact CD1-CG1 4.29Å; F300-I304 HydrophobicContact CD1-CD1 3.55Å; F300-I304 HydrophobicContact CD1-CG1 3.99Å; F300-I304 HydrophobicContact CE1-CD1 3.41Å; F300-I304 VanDerWaalsContact CE1-CD1 3.41Å; F300-I304 HydrophobicContact CE1-CG1 3.65Å; F300-I304 HydrophobicContact CZ-CD1 4.45Å; F300-I304 HydrophobicContact CZ-CG1 4.24Å; F300-I304 PolarHBondContact O-N 2.69Å; I301-I304 PolarHBondContact O-N 3.33Å; H302-I304 VanDerWaalsContact C-N 3.33Å; H302-I304 PolarHBondContact O-N 2.89Å; I304-E306 VanDerWaalsContact C-N 3.33Å; I304-E306 PolarHBondContact O-N 3.24Å; I304-A307 PolarHBondContact O-N 3.42Å; I304-L308 HydrophobicContact CG2-CD1 3.7Å; I304-L308 HydrophobicContact CG2-CG 4.11Å; I304-L308 WeakPolarHBondContact O-CB 3.41Å; I304-L308 VanDerWaalsContact O-CG 3.29Å; I304-L308 WeakPolarHBondContact O-CG 3.36Å; I304-L308 PolarHBondContact O-N 2.92Å
305	S	90.3	Very high	89.6	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.028	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-40.8	-177	-58.9	0	0	0	0	112.1	I301 H302 T303	I301-S305 WeakPolarHBondContact O-CB 3.29Å; I301-S305 PolarHBondContact O-N 3.47Å; I301-S305 PolarHBondContact O-OG 3.37Å; H302-S305 WeakPolarHBondContact O-CA 3.41Å; H302-S305 WeakPolarHBondContact O-CB 3.29Å; H302-S305 PolarHBondContact O-N 3Å; T303-S305 VanDerWaalsContact C-N 3.33Å
306	E	89.5	Confident	89.8	Confident	37 Å²	37	34 Å²	34	17%	0.173	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-44.8	174.5	-67.2	-61.8	118.2	0	0	111.3	H302 I304 L308 I309	H302-E306 IonicContact CE1-OE1 3.63Å; H302-E306 PolarHBondContact CE1-OE1 3.1Å; H302-E306 PolarHBondContact O-N 3.16Å; I304-E306 VanDerWaalsContact C-N 3.33Å; I304-E306 PolarHBondContact O-N 3.24Å; E306-L308 VanDerWaalsContact C-N 3.26Å; E306-L308 PolarHBondContact O-N 3.04Å; E306-I309 VanDerWaalsContact O-CB 3.3Å; E306-I309 WeakPolarHBondContact O-CB 3.48Å; E306-I309 WeakPolarHBondContact O-CG1 3.24Å; E306-I309 PolarHBondContact O-N 2.82Å
307	A	91.4	Very high	89.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-35.8	178.5	0	0	0	0	0	112.6	L162 T164 F282 T303 I304 I309 E310 H311 M313	L162-A307 HydrophobicContact CD1-CB 4.42Å; T164-A307 HydrophobicContact CG2-CB 4.32Å; F282-A307 HydrophobicContact CD1-CB 4.35Å; F282-A307 HydrophobicContact CD2-CB 3.54Å; F282-A307 HydrophobicContact CE2-CB 3.77Å; F282-A307 HydrophobicContact CG-CB 3.89Å; F282-A307 HydrophobicContact CZ-CB 4.25Å; T303-A307 WeakPolarHBondContact O-CB 3.05Å; T303-A307 PolarHBondContact O-N 3.05Å; I304-A307 PolarHBondContact O-N 3.42Å; A307-I309 PolarHBondContact O-N 3.48Å; A307-E310 PolarHBondContact O-N 2.78Å; A307-H311 WeakPolarHBondContact O-CB 3.49Å; A307-H311 PolarHBondContact O-N 2.9Å; A307-M313 HydrophobicContact CB-SD 3.4Å; A307-M313 WeakPolarHBondContact CB-SD 3.26Å
308	L	90.6	Very high	90	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-13.5	176.4	-75.4	172.5	0	0	0	114.1	I304 E306 H311 M313 R348 K351	I304-L308 HydrophobicContact CG2-CD1 3.7Å; I304-L308 HydrophobicContact CG2-CG 4.11Å; I304-L308 WeakPolarHBondContact O-CB 3.41Å; I304-L308 VanDerWaalsContact O-CG 3.29Å; I304-L308 WeakPolarHBondContact O-CG 3.36Å; I304-L308 PolarHBondContact O-N 2.92Å; E306-L308 VanDerWaalsContact C-N 3.26Å; E306-L308 PolarHBondContact O-N 3.04Å; L308-H311 WeakPolarHBondContact CA-O 3.48Å; L308-M313 HydrophobicContact CD2-CB 3.92Å; L308-R348 HydrophobicContact CB-CG 4.4Å; L308-R348 WeakPolarHBondContact O-CG 3.36Å; L308-K351 HydrophobicContact CD1-CB 3.86Å; L308-K351 HydrophobicContact CD2-CD 4.05Å
309	I	86.5	Confident	90.2	Very high	34 Å²	34	40.2 Å²	40.2	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-42.2	176	-62.4	173.8	0	0	0	110.5	E306 A307 R430 T550	E306-I309 VanDerWaalsContact O-CB 3.3Å; E306-I309 WeakPolarHBondContact O-CB 3.48Å; E306-I309 WeakPolarHBondContact O-CG1 3.24Å; E306-I309 PolarHBondContact O-N 2.82Å; A307-I309 PolarHBondContact O-N 3.48Å; I309-R430 HydrophobicContact CD1-CB 3.87Å; I309-T550 HydrophobicContact CD1-CG2 4.22Å; I309-T550 HydrophobicContact CG1-CG2 4.18Å; I309-T550 HydrophobicContact CG2-CG2 4.15Å
310	E	82.7	Confident	89.9	Confident	117 Å²	117	46.7 Å²	46.7	55%	0.547	22%	0.222	S	C	.	.	H	α-helix	trans	-110.9	-21	-173.7	-61.7	-169.4	177.8	0	0	113.5	A307	A307-E310 PolarHBondContact O-N 2.78Å
311	H	85.6	Confident	89.3	Confident	48 Å²	48	48.9 Å²	48.9	22%	0.222	24%	0.241	C	C	.	.	S	Bend	trans	-127.4	135.6	-173.1	-54.8	-74.4	0	0	0	112.1	T164 F282 A307 L308 M313	T164-H311 HydrophobicContact CG2-CB 4.35Å; F282-H311 AromaticContact CE2-CD2 3.51Å; F282-H311 AromaticContact CE2-NE2 3.77Å; A307-H311 WeakPolarHBondContact O-CB 3.49Å; A307-H311 PolarHBondContact O-N 2.9Å; L308-H311 WeakPolarHBondContact CA-O 3.48Å; H311-M313 HydrophobicContact CB-CG 4.35Å; H311-M313 PolarHBondContact O-N 3.45Å
312	D	81.6	Confident	88.7	Confident	119 Å²	119	51.7 Å²	51.7	64%	0.636	26%	0.261	S	S	*	.			trans	-76.3	110.1	168.7	-165.3	21	0	0	0	109.5	K351	D312-K351 IonicContact OD1-NZ 3.79Å; D312-K351 PolarHBondContact OD1-NZ 3.37Å
313	M	85.8	Confident	88.2	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.02	29%	0.287	C	S	.	.			trans	-112	135.4	178.6	-66.6	-171.4	58.6	0	0	110.2	H61 L162 T164 A307 L308 H311 K351	H61-M313 HydrophobicContact CB-CE 4.28Å; L162-M313 HydrophobicContact CB-CE 4.12Å; L162-M313 HydrophobicContact CD1-CE 3.77Å; L162-M313 HydrophobicContact CD1-SD 4.24Å; L162-M313 HydrophobicContact CD2-CE 3.8Å; L162-M313 HydrophobicContact CG-CE 4.1Å; T164-M313 HydrophobicContact CG2-CE 4.34Å; T164-M313 HydrophobicContact CG2-CG 4.22Å; T164-M313 HydrophobicContact CG2-SD 3.54Å; T164-M313 VanDerWaalsContact CG2-SD 3.54Å; A307-M313 HydrophobicContact CB-SD 3.4Å; A307-M313 WeakPolarHBondContact CB-SD 3.26Å; L308-M313 HydrophobicContact CD2-CB 3.92Å; H311-M313 HydrophobicContact CB-CG 4.35Å; H311-M313 PolarHBondContact O-N 3.45Å; M313-K351 PolarHBondContact O-NZ 2.91Å
314	E	88.1	Confident	87.9	Confident	93 Å²	93	59 Å²	59	44%	0.435	31%	0.305	S	S	.	.			trans	-120.3	144.2	170.6	-68.7	-63.9	168.4	0	0	110.1	R68 K351	R68-E314 PolarHBondContact NH1-O 3.19Å; R68-E314 PolarHBondContact NH2-O 2.89Å; E314-K351 VanDerWaalsContact CD-NZ 3.35Å; E314-K351 WeakPolarHBondContact OE1-CE 3.48Å; E314-K351 IonicContact OE1-NZ 3.78Å; E314-K351 PolarHBondContact OE1-NZ 3.34Å; E314-K351 IonicContact OE2-NZ 3.64Å
315	P	93.2	Very high	87.6	Confident	51 Å²	51	63.4 Å²	63.4	33%	0.331	33%	0.334	S	S	.	.			trans	-58.7	161.9	165.1	-21.5	33.3	0	0	0	112.1	P60 Q317	P60-P315 HydrophobicContact CB-CB 4.01Å; P60-P315 CarbonylContact O-C 3.54Å; P60-P315 WeakPolarHBondContact O-CA 3.33Å; P315-Q317 PolarHBondContact O-N 2.87Å
316	S	95.4	Very high	87.6	Confident	6 Å²	6	66.7 Å²	66.7	4%	0.042	36%	0.355	C	S	.	.			trans	-54.2	131.4	169.1	171.6	0	0	0	0	110.7	P60 E67 W96 Y318	P60-S316 PolarHBondContact O-N 3.09Å; E67-S316 WeakPolarHBondContact OE1-CB 3.47Å; E67-S316 PolarHBondContact OE1-OG 3.25Å; W96-S316 VanDerWaalsContact CD1-OG 3.3Å; S316-Y318 PolarHBondContact O-N 3.48Å; S316-Y318 PolarHBondContact OG-N 3.28Å; S316-Y318 VanDerWaalsContact OG-N 3.1Å
317	Q	94.4	Very high	87.8	Confident	149 Å²	149	67 Å²	67	70%	0.696	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.6	173.6	71.3	-170.6	-62.1	0	0	112.9	E67 P315	E67-Q317 PolarHBondContact OE2-N 3.45Å; P315-Q317 PolarHBondContact O-N 2.87Å
318	Y	94.1	Very high	87.9	Confident	64 Å²	64	69.8 Å²	69.8	25%	0.251	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2.9	-175	-58.6	-50.9	0	0	0	113.4	E67 K99 I103 S316	E67-Y318 HydrophobicContact CG-CD2 4.19Å; E67-Y318 HydrophobicContact CG-CE2 4.14Å; E67-Y318 VanDerWaalsContact OE1-CD2 3.29Å; E67-Y318 WeakPolarHBondContact OE1-CD2 3.5Å; K99-Y318 HydrophobicContact CB-CD1 3.92Å; K99-Y318 HydrophobicContact CB-CD2 4.32Å; K99-Y318 HydrophobicContact CB-CE1 4.49Å; K99-Y318 HydrophobicContact CB-CG 3.82Å; K99-Y318 HydrophobicContact CD-CD1 4.36Å; K99-Y318 HydrophobicContact CG-CD1 3.82Å; K99-Y318 HydrophobicContact CG-CG 4Å; I103-Y318 HydrophobicContact CD1-CE1 4.35Å; I103-Y318 HydrophobicContact CD1-CE2 3.72Å; I103-Y318 WeakPolarHBondContact CD1-OH 3.28Å; S316-Y318 PolarHBondContact O-N 3.48Å; S316-Y318 PolarHBondContact OG-N 3.28Å; S316-Y318 VanDerWaalsContact OG-N 3.1Å
319	I	92.4	Very high	88.1	Confident	15 Å²	15	69.5 Å²	69.5	8%	0.077	37%	0.374	C	S	.	.	S	Bend	trans	-127	134.1	176.3	-58.6	168.4	0	0	0	108.1	L63 M92 W96	L63-I319 HydrophobicContact CB-CD1 4.34Å; L63-I319 HydrophobicContact CD1-CD1 3.26Å; L63-I319 HydrophobicContact CG-CD1 4.36Å; M92-I319 HydrophobicContact CB-CG2 4.24Å; M92-I319 HydrophobicContact CE-CG2 3.74Å; M92-I319 HydrophobicContact CG-CG2 4.29Å; W96-I319 HydrophobicContact CB-CD1 3.77Å; W96-I319 HydrophobicContact CB-CG1 3.72Å; W96-I319 HydrophobicContact CG-CD1 4.16Å; W96-I319 HydrophobicContact CG-CG1 4.3Å
320	Y	84.8	Confident	88.5	Confident	160 Å²	160	70.2 Å²	70.2	63%	0.627	39%	0.391	S	S	*	.			trans	-87.6	111.7	169.5	-178.5	-104.5	0	0	0	110.4	P322	Y320-P322 HydrophobicContact CE1-CB 3.93Å
321	A	80.6	Confident	89.2	Confident	49 Å²	49	65 Å²	65	41%	0.405	37%	0.366	S	S	.	.			trans	-101.3	115.7	165.2	0	0	0	0	0	108.4	P60	P60-A321 HydrophobicContact CB-CB 4.48Å; P60-A321 HydrophobicContact CG-CB 4.08Å
322	P	79.6	Confident	89.8	Confident	90 Å²	90	66.8 Å²	66.8	58%	0.584	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-62.4	138.7	177.9	25.6	-32.5	0	0	0	109.7	Y320 L324	Y320-P322 HydrophobicContact CE1-CB 3.93Å; P322-L324 PolarHBondContact O-N 2.98Å
323	P	80.8	Confident	90.6	Very high	93 Å²	93	61.9 Å²	61.9	60%	0.604	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-62.1	139.7	176	26.1	-32.8	0	0	0	109.6
324	L	84.9	Confident	91.2	Very high	85 Å²	85	61.8 Å²	61.8	45%	0.445	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-60.1	142	176	-69.5	172.2	0	0	0	110.3	P322 A355 R359	P322-L324 PolarHBondContact O-N 2.98Å; L324-A355 VanDerWaalsContact CD1-O 3.25Å; L324-A355 WeakPolarHBondContact CD1-O 3.42Å; L324-R359 PolarHBondContact O-NH2 3.21Å
325	P	87.6	Confident	91.7	Very high	98 Å²	98	57.4 Å²	57.4	64%	0.636	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-60.6	143.1	171.7	27	-33.1	0	0	0	109.3	D327	P325-D327 PolarHBondContact O-N 3.45Å
326	P	91.1	Very high	91.9	Very high	73 Å²	73	55 Å²	55	47%	0.474	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-59.3	128.1	174	-7.4	16	0	0	0	110.4	G357 R359	P326-G357 WeakPolarHBondContact CA-O 3.29Å; P326-R359 HydrophobicContact CB-CB 4.5Å; P326-R359 HydrophobicContact CB-CG 4.15Å; P326-R359 HydrophobicContact CG-CG 4.45Å
327	D	93.3	Very high	92	Very high	44 Å²	44	55.3 Å²	55.3	24%	0.235	32%	0.316	C	S	.	.			trans	-127.6	97.3	173.5	178	2	0	0	0	108.5	P325 M329 G357 L358 K436	P325-D327 PolarHBondContact O-N 3.45Å; D327-M329 PolarHBondContact O-N 2.8Å; D327-M329 VanDerWaalsContact O-N 3.14Å; D327-M329 PolarHBondContact OD1-N 3.01Å; D327-G357 PolarHBondContact N-O 3.03Å; D327-L358 WeakPolarHBondContact O-CD2 3.26Å; D327-K436 WeakPolarHBondContact OD2-CD 3.26Å; D327-K436 VanDerWaalsContact OD2-CE 3.3Å; D327-K436 WeakPolarHBondContact OD2-CE 3.06Å; D327-K436 IonicContact OD2-NZ 2.6Å; D327-K436 PolarHBondContact OD2-NZ 3.22Å
328	P	93.1	Very high	92.2	Very high	58 Å²	58	48.4 Å²	48.4	38%	0.377	28%	0.283	S	S	.	.			trans	-78.1	10.9	-177.7	35.1	-36.9	0	0	0	112.6	G330 F331 I334	P328-G330 PolarHBondContact O-N 2.84Å; P328-G330 VanDerWaalsContact O-N 3.16Å; P328-F331 WeakPolarHBondContact CB-O 2.99Å; P328-F331 WeakPolarHBondContact O-CB 3.37Å; P328-F331 VanDerWaalsContact O-CD2 3.29Å; P328-F331 WeakPolarHBondContact O-CD2 3.49Å; P328-F331 PolarHBondContact O-N 3.49Å; P328-I334 HydrophobicContact CB-CD1 4.42Å
329	M	94.8	Very high	92.3	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.044	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	25.5	178.9	-55.8	176	-73.2	0	0	114.7	D327 F331 I334 L358 L423 F435 K436 L439 Q440	D327-M329 PolarHBondContact O-N 2.8Å; D327-M329 VanDerWaalsContact O-N 3.14Å; D327-M329 PolarHBondContact OD1-N 3.01Å; M329-F331 VanDerWaalsContact C-N 3.31Å; M329-F331 HydrophobicContact CB-CD2 4.04Å; M329-F331 HydrophobicContact CB-CE2 4.2Å; M329-F331 HydrophobicContact CE-CD2 4.32Å; M329-F331 HydrophobicContact CE-CE2 4.3Å; M329-I334 HydrophobicContact CE-CD1 3.86Å; M329-L358 HydrophobicContact CE-CD1 4.26Å; M329-L358 HydrophobicContact CE-CD2 3.86Å; M329-L358 HydrophobicContact CG-CD2 4.16Å; M329-L358 HydrophobicContact SD-CD2 4.2Å; M329-L423 HydrophobicContact CE-CD2 3.7Å; M329-F435 HydrophobicContact CE-CE1 3.78Å; M329-F435 HydrophobicContact CE-CZ 4.32Å; M329-F435 HydrophobicContact SD-CD1 4.38Å; M329-F435 HydrophobicContact SD-CE1 3.86Å; M329-K436 HydrophobicContact CG-CD 4.18Å; M329-K436 HydrophobicContact CG-CG 3.47Å; M329-K436 VanDerWaalsContact CG-CG 3.47Å; M329-K436 HydrophobicContact SD-CB 4.19Å; M329-K436 HydrophobicContact SD-CG 3.56Å; M329-K436 VanDerWaalsContact SD-CG 3.56Å; M329-L439 HydrophobicContact CE-CD2 4.03Å; M329-L439 HydrophobicContact SD-CB 4.5Å; M329-L439 HydrophobicContact SD-CD2 4.15Å; M329-Q440 HydrophobicContact CB-CG 3.67Å; M329-Q440 HydrophobicContact CG-CG 3.97Å
330	G	94.6	Very high	92.3	Very high	50 Å²	50	52 Å²	52	52%	0.515	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	4.9	-175.6	0	0	0	0	0	114.8	P328 K421	P328-G330 PolarHBondContact O-N 2.84Å; P328-G330 VanDerWaalsContact O-N 3.16Å; G330-K421 WeakPolarHBondContact O-CE 3.32Å
331	F	97.9	Very high	92.8	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.031	29%	0.289	C	S	.	.			trans	-80.6	149.7	166.6	-62.2	-77.1	0	0	0	110.8	P328 M329 D333 K421 L423 L439 M443 A491	P328-F331 WeakPolarHBondContact CB-O 2.99Å; P328-F331 WeakPolarHBondContact O-CB 3.37Å; P328-F331 VanDerWaalsContact O-CD2 3.29Å; P328-F331 WeakPolarHBondContact O-CD2 3.49Å; P328-F331 PolarHBondContact O-N 3.49Å; M329-F331 VanDerWaalsContact C-N 3.31Å; M329-F331 HydrophobicContact CB-CD2 4.04Å; M329-F331 HydrophobicContact CB-CE2 4.2Å; M329-F331 HydrophobicContact CE-CD2 4.32Å; M329-F331 HydrophobicContact CE-CE2 4.3Å; F331-D333 VanDerWaalsContact C-N 3.31Å; F331-K421 HydrophobicContact CD1-CB 4.34Å; F331-K421 HydrophobicContact CD1-CG 4.16Å; F331-L423 HydrophobicContact CD1-CB 4.24Å; F331-L423 HydrophobicContact CD2-CB 4.01Å; F331-L423 HydrophobicContact CE1-CB 4.37Å; F331-L423 HydrophobicContact CE2-CB 4.17Å; F331-L423 HydrophobicContact CE2-CD2 4.4Å; F331-L423 HydrophobicContact CG-CB 4.06Å; F331-L423 HydrophobicContact CZ-CB 4.35Å; F331-L439 HydrophobicContact CE2-CD2 3.81Å; F331-L439 HydrophobicContact CE2-CG 4.21Å; F331-L439 HydrophobicContact CZ-CD2 4.16Å; F331-L439 HydrophobicContact CZ-CG 4.37Å; F331-M443 HydrophobicContact CE1-CE 4.28Å; F331-M443 HydrophobicContact CZ-CE 4.48Å; F331-M443 HydrophobicContact CZ-CG 3.9Å; F331-M443 HydrophobicContact CZ-SD 4.18Å; F331-A491 HydrophobicContact CE1-CB 3.77Å; F331-A491 HydrophobicContact CZ-CB 4.16Å
332	D	98	Very high	93.3	Very high	85 Å²	85	48.1 Å²	48.1	46%	0.455	27%	0.274	S	S	.	.	S	Bend	trans	-72.5	-30.1	175.8	-61	-52.3	0	0	0	111.7	L419 Q420 K421	D332-L419 HydrophobicContact CB-CB 4.24Å; D332-L419 HydrophobicContact CB-CD2 3.96Å; D332-Q420 WeakPolarHBondContact OD2-CA 3.5Å; D332-Q420 WeakPolarHBondContact OD2-CB 3.25Å; D332-Q420 PolarHBondContact OD2-N 2.96Å; D332-K421 PolarHBondContact N-O 3.47Å; D332-K421 PolarHBondContact OD2-N 3.42Å
333	D	97.8	Very high	94	Very high	16 Å²	16	49 Å²	49	9%	0.086	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	153.8	176.9	-148.1	-22.4	0	0	0	110.2	F331 F335 T361 R417 L419 V422 L423	F331-D333 VanDerWaalsContact C-N 3.31Å; D333-F335 HydrophobicContact CB-CE2 4.05Å; D333-F335 HydrophobicContact CB-CZ 4.01Å; D333-T361 VanDerWaalsContact CG-OG1 3.3Å; D333-T361 VanDerWaalsContact OD1-CB 3.31Å; D333-T361 WeakPolarHBondContact OD1-CB 3.13Å; D333-T361 PolarHBondContact OD1-OG1 2.76Å; D333-T361 PolarHBondContact OD2-OG1 2.82Å; D333-R417 IonicContact OD2-CZ 3.62Å; D333-R417 VanDerWaalsContact OD2-CZ 3.3Å; D333-R417 IonicContact OD2-NH1 2.85Å; D333-R417 PolarHBondContact OD2-NH1 2.91Å; D333-R417 IonicContact OD2-NH2 3.79Å; D333-R417 PolarHBondContact OD2-NH2 2.98Å; D333-L419 HydrophobicContact CB-CD1 4.07Å; D333-V422 HydrophobicContact CB-CG1 4.22Å; D333-V422 WeakPolarHBondContact O-CA 3.47Å; D333-L423 PolarHBondContact O-N 2.94Å; D333-L423 VanDerWaalsContact O-N 3.11Å
334	I	98.4	Very high	94.4	Very high	3 Å²	3	49 Å²	49	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.5	173.2	-58.1	179.2	0	0	0	107.1	P328 M329 M353 L358 P360 T361 L423 L425	P328-I334 HydrophobicContact CB-CD1 4.42Å; M329-I334 HydrophobicContact CE-CD1 3.86Å; I334-M353 HydrophobicContact CG2-CE 3.71Å; I334-L358 HydrophobicContact CD1-CD2 4.1Å; I334-P360 HydrophobicContact CG2-CB 4.43Å; I334-P360 CarbonylContact O-C 3.56Å; I334-P360 WeakPolarHBondContact O-CA 3.3Å; I334-P360 WeakPolarHBondContact O-CB 3.46Å; I334-T361 PolarHBondContact O-N 3.42Å; I334-L423 CarbonylContact C-O 3.5Å; I334-L423 WeakPolarHBondContact CA-O 3.29Å; I334-L423 HydrophobicContact CG1-CB 4.28Å; I334-L423 HydrophobicContact CG2-CB 4.3Å; I334-L423 HydrophobicContact CG2-CD2 4.18Å; I334-L423 HydrophobicContact CG2-CG 4.4Å; I334-L425 HydrophobicContact CG2-CD1 3.33Å
335	F	98.5	Very high	94.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.4	179.9	-64.7	-70.2	0	0	0	111.4	D333 T361 I363 I410 V414 L419 V422 L423 V424 L425	D333-F335 HydrophobicContact CB-CE2 4.05Å; D333-F335 HydrophobicContact CB-CZ 4.01Å; F335-T361 WeakPolarHBondContact CA-O 3.38Å; F335-T361 HydrophobicContact CD1-CG2 3.88Å; F335-T361 HydrophobicContact CE1-CG2 3.8Å; F335-I363 HydrophobicContact CB-CG1 4.03Å; F335-I363 HydrophobicContact CD1-CD1 3.57Å; F335-I363 HydrophobicContact CD1-CG1 3.62Å; F335-I363 HydrophobicContact CE1-CD1 3.96Å; F335-I363 HydrophobicContact CE1-CG1 4.48Å; F335-I363 HydrophobicContact CG-CG1 4.17Å; F335-I410 HydrophobicContact CB-CD1 3.95Å; F335-I410 HydrophobicContact CB-CG1 4.39Å; F335-I410 HydrophobicContact CD2-CG2 3.55Å; F335-I410 HydrophobicContact CE2-CG2 3.84Å; F335-I410 HydrophobicContact CG-CD1 4.38Å; F335-I410 HydrophobicContact CG-CG1 4.3Å; F335-I410 HydrophobicContact CG-CG2 4.07Å; F335-V414 HydrophobicContact CE2-CG2 4.28Å; F335-L419 HydrophobicContact CE2-CD1 4.09Å; F335-L419 HydrophobicContact CZ-CD1 3.88Å; F335-V422 HydrophobicContact CD2-CB 4.12Å; F335-V422 HydrophobicContact CD2-CG2 4.18Å; F335-V422 HydrophobicContact CE2-CB 3.97Å; F335-V422 HydrophobicContact CE2-CG1 3.9Å; F335-V422 HydrophobicContact CE2-CG2 4.13Å; F335-L423 PolarHBondContact N-O 3.25Å; F335-V424 HydrophobicContact CD2-CG2 4.46Å; F335-L425 PolarHBondContact O-N 3.12Å
336	L	98.4	Very high	95	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.8	170.9	176.9	62.6	0	0	0	109.4	M349 M353 P360 T361 L362 I363 L425 D427	L336-M349 HydrophobicContact CD1-CB 4.32Å; L336-M349 HydrophobicContact CD1-CE 3.74Å; L336-M349 HydrophobicContact CD1-CG 4.31Å; L336-M349 HydrophobicContact CD2-CB 3.66Å; L336-M349 HydrophobicContact CD2-CG 4.48Å; L336-M353 HydrophobicContact CD2-SD 4.26Å; L336-P360 HydrophobicContact CB-CB 3.75Å; L336-P360 HydrophobicContact CB-CG 4.15Å; L336-P360 HydrophobicContact CD2-CG 4.17Å; L336-T361 PolarHBondContact N-O 2.99Å; L336-L362 HydrophobicContact CB-CD2 4.27Å; L336-L362 HydrophobicContact CD2-CD2 3.8Å; L336-L362 HydrophobicContact CG-CD2 4.21Å; L336-I363 PolarHBondContact O-N 3.41Å; L336-L425 WeakPolarHBondContact CA-O 3.31Å; L336-L425 HydrophobicContact CD1-CB 4.24Å; L336-D427 HydrophobicContact CD1-CB 4.48Å
337	I	98.2	Very high	95.1	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120.5	176.1	-60.1	173.3	0	0	0	108.4	A365 H407 I410 V424 L425 D427	I337-A365 HydrophobicContact CG2-CB 3.67Å; I337-H407 WeakPolarHBondContact CD1-CE1 3.49Å; I337-H407 WeakPolarHBondContact CD1-ND1 3.12Å; I337-I410 HydrophobicContact CD1-CD1 3.62Å; I337-I410 HydrophobicContact CG1-CD1 3.48Å; I337-I410 VanDerWaalsContact CG1-CD1 3.48Å; I337-V424 HydrophobicContact CD1-CG1 3.74Å; I337-V424 HydrophobicContact CG1-CG1 4.25Å; I337-L425 PolarHBondContact N-O 2.86Å; I337-D427 WeakPolarHBondContact O-CB 3.37Å; I337-D427 PolarHBondContact O-N 2.91Å
338	N	97.3	Very high	95.1	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	137.6	178.3	168.1	-106.1	0	0	0	110.7	R342 R346 I363 A365 D427	N338-R342 PolarHBondContact ND2-O 3.08Å; N338-R342 VanDerWaalsContact ND2-O 3.09Å; N338-R346 WeakPolarHBondContact OD1-CB 3.39Å; N338-I363 PolarHBondContact N-O 3.04Å; N338-I363 VanDerWaalsContact N-O 3.07Å; N338-A365 WeakPolarHBondContact O-CB 3.16Å; N338-A365 PolarHBondContact O-N 3.04Å; N338-D427 HydrophobicContact CB-CB 4.03Å; N338-D427 PolarHBondContact ND2-OD2 3.19Å
339	L	95.6	Very high	95.2	Very high	20 Å²	20	41.2 Å²	41.2	11%	0.105	21%	0.208	C	C	.	.			trans	-70.5	131.6	170.4	-71.9	169.5	0	0	0	109.9	R341 R342 A365 D367 D561	L339-R341 HydrophobicContact CB-CG 4.35Å; L339-R341 PolarHBondContact O-N 3.14Å; L339-R342 HydrophobicContact CB-CB 4.3Å; L339-R342 HydrophobicContact CB-CG 3.92Å; L339-R342 HydrophobicContact CD1-CG 4.28Å; L339-R342 PolarHBondContact O-N 3.32Å; L339-A365 HydrophobicContact CD2-CB 3.85Å; L339-A365 HydrophobicContact CG-CB 4.12Å; L339-D367 HydrophobicContact CD2-CB 3.79Å; L339-D561 HydrophobicContact CD1-CB 3.66Å
340	K	94.3	Very high	95.2	Very high	134 Å²	134	43.8 Å²	43.8	58%	0.583	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-36.3	178.8	-75.6	-171.4	178.3	-178.1	0	114.4	R342 D364	K340-R342 VanDerWaalsContact C-N 3.34Å; K340-D364 VanDerWaalsContact CE-OD1 3.22Å; K340-D364 WeakPolarHBondContact CE-OD1 3.28Å; K340-D364 WeakPolarHBondContact CE-OD2 3.27Å; K340-D364 HydrophobicContact CG-CB 4.25Å; K340-D364 IonicContact NZ-OD2 2.65Å; K340-D364 PolarHBondContact NZ-OD2 2.64Å
341	R	93.4	Very high	95.1	Very high	102 Å²	102	43.5 Å²	43.5	39%	0.385	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.2	179.9	64.8	171.7	173.6	81.7	1.1	114.3	L339 L343 D367 D561	L339-R341 HydrophobicContact CB-CG 4.35Å; L339-R341 PolarHBondContact O-N 3.14Å; R341-L343 VanDerWaalsContact C-N 3.31Å; R341-L343 PolarHBondContact O-N 2.94Å; R341-D367 WeakPolarHBondContact CD-OD2 3.38Å; R341-D367 IonicContact CZ-OD2 2.85Å; R341-D367 IonicContact NE-OD1 3.96Å; R341-D367 IonicContact NE-OD2 3.36Å; R341-D367 PolarHBondContact NE-OD2 2.89Å; R341-D367 IonicContact NH2-OD1 3.75Å; R341-D367 IonicContact NH2-OD2 4Å; R341-D561 IonicContact CZ-OD1 3.24Å; R341-D561 VanDerWaalsContact CZ-OD1 3.23Å; R341-D561 IonicContact NH1-OD1 3.98Å; R341-D561 PolarHBondContact NH1-OD1 3.45Å; R341-D561 IonicContact NH2-OD1 3.89Å; R341-D561 PolarHBondContact NH2-OD1 3.11Å
342	R	92.4	Very high	94.9	Very high	27 Å²	27	43.2 Å²	43.2	10%	0.102	21%	0.205	C	C	.	.			trans	-91.6	61.5	179	-64	-58.1	-60.5	-117.6	10.8	111	N338 L339 K340 D344 R345 R346 D561	N338-R342 PolarHBondContact ND2-O 3.08Å; N338-R342 VanDerWaalsContact ND2-O 3.09Å; L339-R342 HydrophobicContact CB-CB 4.3Å; L339-R342 HydrophobicContact CB-CG 3.92Å; L339-R342 HydrophobicContact CD1-CG 4.28Å; L339-R342 PolarHBondContact O-N 3.32Å; K340-R342 VanDerWaalsContact C-N 3.34Å; R342-D344 WeakPolarHBondContact CA-OD1 3.2Å; R342-D344 IonicContact CZ-OD2 2.68Å; R342-D344 IonicContact NE-OD1 3.94Å; R342-D344 PolarHBondContact NE-OD1 3.21Å; R342-D344 VanDerWaalsContact NE-OD1 3.12Å; R342-D344 IonicContact NE-OD2 3.31Å; R342-D344 PolarHBondContact NE-OD2 3.14Å; R342-D344 IonicContact NH2-OD2 3.71Å; R342-D344 PolarHBondContact NH2-OD2 3.38Å; R342-D344 PolarHBondContact O-N 2.64Å; R342-R345 HydrophobicContact CB-CB 4.29Å; R342-R345 HydrophobicContact CB-CG 4.35Å; R342-R345 PolarHBondContact O-N 2.7Å; R342-R346 WeakPolarHBondContact O-CB 3.39Å; R342-R346 PolarHBondContact O-N 3.21Å; R342-D561 IonicContact CZ-OD2 3.65Å; R342-D561 IonicContact NE-OD2 2.93Å; R342-D561 IonicContact NH1-OD1 2.6Å; R342-D561 IonicContact NH1-OD2 3.31Å; R342-D561 PolarHBondContact NH1-OD2 2.76Å
343	L	93.1	Very high	94.7	Very high	109 Å²	109	39.2 Å²	39.2	57%	0.571	18%	0.183	S	C	*	.	H	α-helix	trans	-64.1	-28.9	177.8	-64.8	-179.8	0	0	0	112.2	R341 T347	R341-L343 VanDerWaalsContact C-N 3.31Å; R341-L343 PolarHBondContact O-N 2.94Å; L343-T347 VanDerWaalsContact O-CB 3.27Å; L343-T347 WeakPolarHBondContact O-CB 3.4Å; L343-T347 PolarHBondContact O-N 3.4Å; L343-T347 PolarHBondContact O-OG1 2.9Å
344	D	89.8	Confident	94.4	Very high	91 Å²	91	40.2 Å²	40.2	49%	0.487	20%	0.198	S	C	.	.	H	α-helix	trans	-55.5	-57.4	171.7	59.2	-40.4	0	0	0	111	R342 T347 R348	R342-D344 WeakPolarHBondContact CA-OD1 3.2Å; R342-D344 IonicContact CZ-OD2 2.68Å; R342-D344 IonicContact NE-OD1 3.94Å; R342-D344 PolarHBondContact NE-OD1 3.21Å; R342-D344 VanDerWaalsContact NE-OD1 3.12Å; R342-D344 IonicContact NE-OD2 3.31Å; R342-D344 PolarHBondContact NE-OD2 3.14Å; R342-D344 IonicContact NH2-OD2 3.71Å; R342-D344 PolarHBondContact NH2-OD2 3.38Å; R342-D344 PolarHBondContact O-N 2.64Å; D344-T347 PolarHBondContact O-N 3.32Å; D344-R348 PolarHBondContact O-N 3.27Å; D344-R348 VanDerWaalsContact O-N 3.15Å
345	R	91.6	Very high	94	Very high	31 Å²	31	41.1 Å²	41.1	12%	0.117	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-40.1	-178.8	-62	-170.9	179.6	-169.9	-4.8	112.1	R342 R348 M349 D427 D428 I559	R342-R345 HydrophobicContact CB-CB 4.29Å; R342-R345 HydrophobicContact CB-CG 4.35Å; R342-R345 PolarHBondContact O-N 2.7Å; R345-R348 PolarHBondContact O-N 2.99Å; R345-M349 WeakPolarHBondContact O-CB 3.31Å; R345-M349 WeakPolarHBondContact O-CG 3.45Å; R345-M349 PolarHBondContact O-N 3.45Å; R345-D427 HydrophobicContact CB-CB 4Å; R345-D427 VanDerWaalsContact CD-CG 3.44Å; R345-D427 WeakPolarHBondContact CD-OD1 3.42Å; R345-D427 IonicContact CZ-OD1 2.81Å; R345-D427 IonicContact NE-OD1 2.8Å; R345-D427 IonicContact NH1-OD1 3.82Å; R345-D427 PolarHBondContact NH1-OD1 2.83Å; R345-D428 IonicContact CZ-OD2 3.79Å; R345-D428 IonicContact NH1-OD2 2.78Å; R345-D428 PolarHBondContact NH1-OD2 2.94Å; R345-D428 IonicContact NH2-OD2 3.95Å; R345-I559 PolarHBondContact NH2-O 2.85Å
346	R	94.6	Very high	93.6	Very high	71 Å²	71	42 Å²	42	27%	0.268	21%	0.21	S	C	.	.	H	α-helix	trans	-59.3	-50.6	177.1	-174.6	173.5	171.5	153.3	-2.5	111.6	N338 R342 M349 L350 L362	N338-R346 WeakPolarHBondContact OD1-CB 3.39Å; R342-R346 WeakPolarHBondContact O-CB 3.39Å; R342-R346 PolarHBondContact O-N 3.21Å; R346-M349 PolarHBondContact O-N 3.5Å; R346-L350 HydrophobicContact CG-CD1 3.91Å; R346-L350 HydrophobicContact CG-CG 4.41Å; R346-L350 WeakPolarHBondContact O-CB 3.28Å; R346-L350 VanDerWaalsContact O-CG 3.26Å; R346-L350 WeakPolarHBondContact O-CG 3.36Å; R346-L350 PolarHBondContact O-N 3.04Å; R346-L362 HydrophobicContact CG-CD2 4.32Å
347	T	93.1	Very high	93.3	Very high	67 Å²	67	42.2 Å²	42.2	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-46.1	-177.5	-58	0	0	0	0	110.3	L343 D344 L350 K351	L343-T347 VanDerWaalsContact O-CB 3.27Å; L343-T347 WeakPolarHBondContact O-CB 3.4Å; L343-T347 PolarHBondContact O-N 3.4Å; L343-T347 PolarHBondContact O-OG1 2.9Å; D344-T347 PolarHBondContact O-N 3.32Å; T347-L350 PolarHBondContact O-N 3.15Å; T347-K351 HydrophobicContact CG2-CD 4.28Å; T347-K351 WeakPolarHBondContact O-CG 3.24Å; T347-K351 PolarHBondContact O-N 3.5Å
348	R	93.1	Very high	93.1	Very high	26 Å²	26	41.7 Å²	41.7	10%	0.098	21%	0.209	C	C	.	.	H	α-helix	trans	-54.5	-56.3	173.9	-180	-167.7	73.6	96.6	-0.2	111.7	L308 D344 R345 L350 K351 T352 D427 V429 T550	L308-R348 HydrophobicContact CB-CG 4.4Å; L308-R348 WeakPolarHBondContact O-CG 3.36Å; D344-R348 PolarHBondContact O-N 3.27Å; D344-R348 VanDerWaalsContact O-N 3.15Å; R345-R348 PolarHBondContact O-N 2.99Å; R348-L350 VanDerWaalsContact C-N 3.34Å; R348-L350 PolarHBondContact O-N 3.35Å; R348-K351 PolarHBondContact O-N 2.73Å; R348-T352 WeakPolarHBondContact O-CB 3.45Å; R348-T352 PolarHBondContact O-N 2.86Å; R348-T352 PolarHBondContact O-OG1 2.99Å; R348-T352 VanDerWaalsContact O-OG1 3.1Å; R348-D427 PolarHBondContact NH2-O 3.45Å; R348-V429 PolarHBondContact NH1-O 2.92Å; R348-V429 PolarHBondContact NH2-O 3.02Å; R348-T550 VanDerWaalsContact NH1-CG2 3.31Å
349	M	94.8	Very high	93	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-40.6	-176.8	-78.5	-62.5	-69.2	0	0	112.6	L336 R345 R346 K351 T352 M353 L425 D427 V429 F431	L336-M349 HydrophobicContact CD1-CB 4.32Å; L336-M349 HydrophobicContact CD1-CE 3.74Å; L336-M349 HydrophobicContact CD1-CG 4.31Å; L336-M349 HydrophobicContact CD2-CB 3.66Å; L336-M349 HydrophobicContact CD2-CG 4.48Å; R345-M349 WeakPolarHBondContact O-CB 3.31Å; R345-M349 WeakPolarHBondContact O-CG 3.45Å; R345-M349 PolarHBondContact O-N 3.45Å; R346-M349 PolarHBondContact O-N 3.5Å; M349-K351 PolarHBondContact O-N 2.94Å; M349-T352 PolarHBondContact O-N 3.37Å; M349-M353 HydrophobicContact CE-CG 4.36Å; M349-M353 HydrophobicContact CE-SD 4.03Å; M349-M353 VanDerWaalsContact O-CB 3.23Å; M349-M353 WeakPolarHBondContact O-CB 3.38Å; M349-M353 WeakPolarHBondContact O-CG 3.3Å; M349-M353 PolarHBondContact O-N 2.93Å; M349-L425 HydrophobicContact CE-CD2 4.48Å; M349-D427 HydrophobicContact CG-CB 4.48Å; M349-D427 VanDerWaalsContact CG-O 3.28Å; M349-D427 WeakPolarHBondContact CG-O 3.47Å; M349-V429 HydrophobicContact CE-CG2 3.56Å; M349-V429 HydrophobicContact SD-CG2 3.99Å; M349-F431 HydrophobicContact CE-CE2 3.81Å; M349-F431 HydrophobicContact CE-CZ 3.97Å; M349-F431 HydrophobicContact SD-CE2 4.15Å
350	L	94.6	Very high	93	Very high	64 Å²	64	48.8 Å²	48.8	34%	0.335	24%	0.237	S	C	.	.	H	α-helix	trans	-64.3	-39	176.5	-70.9	176.2	0	0	0	112.2	R346 T347 R348 G354 P360 L362	R346-L350 HydrophobicContact CG-CD1 3.91Å; R346-L350 HydrophobicContact CG-CG 4.41Å; R346-L350 WeakPolarHBondContact O-CB 3.28Å; R346-L350 VanDerWaalsContact O-CG 3.26Å; R346-L350 WeakPolarHBondContact O-CG 3.36Å; R346-L350 PolarHBondContact O-N 3.04Å; T347-L350 PolarHBondContact O-N 3.15Å; R348-L350 VanDerWaalsContact C-N 3.34Å; R348-L350 PolarHBondContact O-N 3.35Å; L350-G354 PolarHBondContact O-N 2.9Å; L350-P360 HydrophobicContact CD2-CG 3.81Å; L350-L362 HydrophobicContact CD1-CD1 4.12Å; L350-L362 HydrophobicContact CD2-CD1 4.18Å; L350-L362 HydrophobicContact CD2-CD2 4.15Å; L350-L362 HydrophobicContact CD2-CG 4.39Å
351	K	92.4	Very high	93.2	Very high	44 Å²	44	44.7 Å²	44.7	19%	0.191	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-49.7	174	-72.8	178.4	175.3	-165.8	0	111.6	L308 D312 M313 E314 T347 R348 M349 M353 G354 A355	L308-K351 HydrophobicContact CD1-CB 3.86Å; L308-K351 HydrophobicContact CD2-CD 4.05Å; D312-K351 IonicContact OD1-NZ 3.79Å; D312-K351 PolarHBondContact OD1-NZ 3.37Å; M313-K351 PolarHBondContact O-NZ 2.91Å; E314-K351 VanDerWaalsContact CD-NZ 3.35Å; E314-K351 WeakPolarHBondContact OE1-CE 3.48Å; E314-K351 IonicContact OE1-NZ 3.78Å; E314-K351 PolarHBondContact OE1-NZ 3.34Å; E314-K351 IonicContact OE2-NZ 3.64Å; T347-K351 HydrophobicContact CG2-CD 4.28Å; T347-K351 WeakPolarHBondContact O-CG 3.24Å; T347-K351 PolarHBondContact O-N 3.5Å; R348-K351 PolarHBondContact O-N 2.73Å; M349-K351 PolarHBondContact O-N 2.94Å; K351-M353 PolarHBondContact O-N 3.38Å; K351-G354 PolarHBondContact O-N 3.49Å; K351-A355 PolarHBondContact O-N 3.49Å
352	T	92.7	Very high	93.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-48.9	178.1	-62.8	0	0	0	0	111.6	R348 M349 A355 M356 F431	R348-T352 WeakPolarHBondContact O-CB 3.45Å; R348-T352 PolarHBondContact O-N 2.86Å; R348-T352 PolarHBondContact O-OG1 2.99Å; R348-T352 VanDerWaalsContact O-OG1 3.1Å; M349-T352 PolarHBondContact O-N 3.37Å; T352-A355 PolarHBondContact O-N 2.91Å; T352-M356 HydrophobicContact CG2-CE 3.71Å; T352-M356 WeakPolarHBondContact O-CE 3.26Å; T352-M356 PolarHBondContact O-N 3.49Å; T352-F431 HydrophobicContact CG2-CD2 3.51Å; T352-F431 HydrophobicContact CG2-CE2 3.64Å; T352-F431 HydrophobicContact CG2-CG 4.49Å
353	M	94	Very high	93.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-40.9	178	-70.1	-174.4	78.3	0	0	111.8	I334 L336 M349 K351 A355 M356 G357 L358 P360 L425 F431	I334-M353 HydrophobicContact CG2-CE 3.71Å; L336-M353 HydrophobicContact CD2-SD 4.26Å; M349-M353 HydrophobicContact CE-CG 4.36Å; M349-M353 HydrophobicContact CE-SD 4.03Å; M349-M353 VanDerWaalsContact O-CB 3.23Å; M349-M353 WeakPolarHBondContact O-CB 3.38Å; M349-M353 WeakPolarHBondContact O-CG 3.3Å; M349-M353 PolarHBondContact O-N 2.93Å; K351-M353 PolarHBondContact O-N 3.38Å; M353-A355 VanDerWaalsContact C-N 3.33Å; M353-A355 PolarHBondContact O-N 2.9Å; M353-M356 CarbonylContact O-C 3.56Å; M353-M356 PolarHBondContact O-N 3.38Å; M353-G357 PolarHBondContact O-N 3.09Å; M353-L358 CarbonylContact C-O 3.49Å; M353-L358 VanDerWaalsContact C-O 3.28Å; M353-L358 HydrophobicContact CB-CB 3.96Å; M353-L358 HydrophobicContact CE-CB 3.88Å; M353-L358 HydrophobicContact CE-CD1 4.24Å; M353-L358 HydrophobicContact CG-CB 4.49Å; M353-L358 WeakPolarHBondContact O-CB 3.49Å; M353-L358 PolarHBondContact O-N 3.18Å; M353-P360 HydrophobicContact CE-CB 3.73Å; M353-P360 HydrophobicContact CE-CG 3.9Å; M353-P360 HydrophobicContact SD-CB 4.03Å; M353-P360 HydrophobicContact SD-CG 3.69Å; M353-L425 HydrophobicContact CE-CD1 4.26Å; M353-F431 HydrophobicContact CG-CE2 4.41Å; M353-F431 HydrophobicContact CG-CZ 3.96Å
354	G	91.9	Very high	93.7	Very high	38 Å²	38	40.1 Å²	40.1	39%	0.392	21%	0.209	S	C	.	.	H	α-helix	trans	-59.6	-40.2	175	0	0	0	0	0	113.2	L350 K351 M356 G357	L350-G354 PolarHBondContact O-N 2.9Å; K351-G354 PolarHBondContact O-N 3.49Å; G354-M356 PolarHBondContact O-N 3.15Å; G354-G357 PolarHBondContact O-N 3.06Å
355	A	89.3	Confident	94	Very high	22 Å²	22	36.5 Å²	36.5	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-22	175.3	0	0	0	0	0	113.3	I301 L324 K351 T352 M353	I301-A355 WeakPolarHBondContact CD1-O 3.42Å; I301-A355 HydrophobicContact CG2-CB 4.41Å; L324-A355 VanDerWaalsContact CD1-O 3.25Å; L324-A355 WeakPolarHBondContact CD1-O 3.42Å; K351-A355 PolarHBondContact O-N 3.49Å; T352-A355 PolarHBondContact O-N 2.91Å; M353-A355 VanDerWaalsContact C-N 3.33Å; M353-A355 PolarHBondContact O-N 2.9Å
356	M	90.6	Very high	94.2	Very high	19 Å²	19	37.3 Å²	37.3	9%	0.094	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.5	173.7	-72.6	179.1	-79.6	0	0	113.8	I301 T352 M353 G354 L358 F431 F435	I301-M356 HydrophobicContact CG2-CG 3.47Å; I301-M356 VanDerWaalsContact CG2-CG 3.47Å; T352-M356 HydrophobicContact CG2-CE 3.71Å; T352-M356 WeakPolarHBondContact O-CE 3.26Å; T352-M356 PolarHBondContact O-N 3.49Å; M353-M356 CarbonylContact O-C 3.56Å; M353-M356 PolarHBondContact O-N 3.38Å; G354-M356 PolarHBondContact O-N 3.15Å; M356-L358 VanDerWaalsContact C-N 3.28Å; M356-L358 HydrophobicContact CB-CD1 4.2Å; M356-L358 HydrophobicContact CB-CG 3.93Å; M356-L358 HydrophobicContact CE-CD1 4.37Å; M356-L358 HydrophobicContact SD-CD1 4.45Å; M356-F431 HydrophobicContact CE-CB 4.26Å; M356-F431 HydrophobicContact CE-CD1 3.56Å; M356-F431 HydrophobicContact CE-CD2 3.74Å; M356-F431 HydrophobicContact CE-CE1 3.74Å; M356-F431 HydrophobicContact CE-CE2 3.89Å; M356-F431 HydrophobicContact CE-CG 3.58Å; M356-F431 HydrophobicContact CE-CZ 3.9Å; M356-F431 HydrophobicContact SD-CB 4.38Å; M356-F431 HydrophobicContact SD-CD1 3.9Å; M356-F431 HydrophobicContact SD-CE1 4.43Å; M356-F431 HydrophobicContact SD-CG 4.15Å; M356-F435 HydrophobicContact SD-CD1 4.31Å
357	G	92.1	Very high	94.1	Very high	4 Å²	4	35.8 Å²	35.8	4%	0.041	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	16.7	-172.4	0	0	0	0	0	113.9	P326 D327 M353 G354	P326-G357 WeakPolarHBondContact CA-O 3.29Å; D327-G357 PolarHBondContact N-O 3.03Å; M353-G357 PolarHBondContact O-N 3.09Å; G354-G357 PolarHBondContact O-N 3.06Å
358	L	94.2	Very high	94	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.181	C	C	.	.			trans	-90.6	126	176.5	-55	-179.1	0	0	0	109.4	D327 M329 I334 M353 M356 F431 F435	D327-L358 WeakPolarHBondContact O-CD2 3.26Å; M329-L358 HydrophobicContact CE-CD1 4.26Å; M329-L358 HydrophobicContact CE-CD2 3.86Å; M329-L358 HydrophobicContact CG-CD2 4.16Å; M329-L358 HydrophobicContact SD-CD2 4.2Å; I334-L358 HydrophobicContact CD1-CD2 4.1Å; M353-L358 CarbonylContact C-O 3.49Å; M353-L358 VanDerWaalsContact C-O 3.28Å; M353-L358 HydrophobicContact CB-CB 3.96Å; M353-L358 HydrophobicContact CE-CB 3.88Å; M353-L358 HydrophobicContact CE-CD1 4.24Å; M353-L358 HydrophobicContact CG-CB 4.49Å; M353-L358 WeakPolarHBondContact O-CB 3.49Å; M353-L358 PolarHBondContact O-N 3.18Å; M356-L358 VanDerWaalsContact C-N 3.28Å; M356-L358 HydrophobicContact CB-CD1 4.2Å; M356-L358 HydrophobicContact CB-CG 3.93Å; M356-L358 HydrophobicContact CE-CD1 4.37Å; M356-L358 HydrophobicContact SD-CD1 4.45Å; L358-F431 HydrophobicContact CD1-CE1 4.42Å; L358-F435 HydrophobicContact CD1-CD1 4.41Å; L358-F435 HydrophobicContact CD1-CE1 4.01Å
359	R	94.5	Very high	93.7	Very high	149 Å²	149	37 Å²	37	56%	0.562	20%	0.199	S	C	*	.			trans	-115	99.9	174.9	-63.4	-165.7	-169.6	171.7	4.3	109.5	L324 P326	L324-R359 PolarHBondContact O-NH2 3.21Å; P326-R359 HydrophobicContact CB-CB 4.5Å; P326-R359 HydrophobicContact CB-CG 4.15Å; P326-R359 HydrophobicContact CG-CG 4.45Å
360	P	96.8	Very high	93.4	Very high	23 Å²	23	40.4 Å²	40.4	15%	0.149	23%	0.227	C	C	.	.			trans	-79.3	150.7	-177.9	32	-35.4	0	0	0	112.4	I334 L336 L350 M353	I334-P360 HydrophobicContact CG2-CB 4.43Å; I334-P360 CarbonylContact O-C 3.56Å; I334-P360 WeakPolarHBondContact O-CA 3.3Å; I334-P360 WeakPolarHBondContact O-CB 3.46Å; L336-P360 HydrophobicContact CB-CB 3.75Å; L336-P360 HydrophobicContact CB-CG 4.15Å; L336-P360 HydrophobicContact CD2-CG 4.17Å; L350-P360 HydrophobicContact CD2-CG 3.81Å; M353-P360 HydrophobicContact CE-CB 3.73Å; M353-P360 HydrophobicContact CE-CG 3.9Å; M353-P360 HydrophobicContact SD-CB 4.03Å; M353-P360 HydrophobicContact SD-CG 3.69Å
361	T	97.4	Very high	93.1	Very high	49 Å²	49	38.2 Å²	38.2	30%	0.301	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115.7	158	-64.5	0	0	0	0	108.8	D333 I334 F335 L336 I363	D333-T361 VanDerWaalsContact CG-OG1 3.3Å; D333-T361 VanDerWaalsContact OD1-CB 3.31Å; D333-T361 WeakPolarHBondContact OD1-CB 3.13Å; D333-T361 PolarHBondContact OD1-OG1 2.76Å; D333-T361 PolarHBondContact OD2-OG1 2.82Å; I334-T361 PolarHBondContact O-N 3.42Å; F335-T361 WeakPolarHBondContact CA-O 3.38Å; F335-T361 HydrophobicContact CD1-CG2 3.88Å; F335-T361 HydrophobicContact CE1-CG2 3.8Å; L336-T361 PolarHBondContact N-O 2.99Å; T361-I363 HydrophobicContact CG2-CD1 4.33Å; T361-I363 PolarHBondContact O-N 2.84Å
362	L	97.4	Very high	92.9	Very high	52 Å²	52	38.9 Å²	38.9	27%	0.272	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.4	179.6	-72.6	160.1	0	0	0	110.4	L336 R346 L350	L336-L362 HydrophobicContact CB-CD2 4.27Å; L336-L362 HydrophobicContact CD2-CD2 3.8Å; L336-L362 HydrophobicContact CG-CD2 4.21Å; R346-L362 HydrophobicContact CG-CD2 4.32Å; L350-L362 HydrophobicContact CD1-CD1 4.12Å; L350-L362 HydrophobicContact CD2-CD1 4.18Å; L350-L362 HydrophobicContact CD2-CD2 4.15Å; L350-L362 HydrophobicContact CD2-CG 4.39Å
363	I	97.1	Very high	92.6	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.062	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.8	174.1	-59.8	-57.7	0	0	0	108	F335 L336 N338 T361 A365 I410	F335-I363 HydrophobicContact CB-CG1 4.03Å; F335-I363 HydrophobicContact CD1-CD1 3.57Å; F335-I363 HydrophobicContact CD1-CG1 3.62Å; F335-I363 HydrophobicContact CE1-CD1 3.96Å; F335-I363 HydrophobicContact CE1-CG1 4.48Å; F335-I363 HydrophobicContact CG-CG1 4.17Å; L336-I363 PolarHBondContact O-N 3.41Å; N338-I363 PolarHBondContact N-O 3.04Å; N338-I363 VanDerWaalsContact N-O 3.07Å; T361-I363 HydrophobicContact CG2-CD1 4.33Å; T361-I363 PolarHBondContact O-N 2.84Å; I363-A365 PolarHBondContact O-N 3.26Å; I363-I410 HydrophobicContact CB-CD1 4.41Å; I363-I410 HydrophobicContact CD1-CG1 4.36Å; I363-I410 HydrophobicContact CG1-CD1 3.99Å; I363-I410 HydrophobicContact CG1-CG1 3.87Å; I363-I410 HydrophobicContact CG2-CD1 4.28Å; I363-I410 HydrophobicContact CG2-CG1 4.19Å
364	D	96.3	Very high	92.4	Very high	77 Å²	77	45 Å²	45	41%	0.412	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	102.2	172	-69.9	-32.9	0	0	0	108.8	K340	K340-D364 VanDerWaalsContact CE-OD1 3.22Å; K340-D364 WeakPolarHBondContact CE-OD1 3.28Å; K340-D364 WeakPolarHBondContact CE-OD2 3.27Å; K340-D364 HydrophobicContact CG-CB 4.25Å; K340-D364 IonicContact NZ-OD2 2.65Å; K340-D364 PolarHBondContact NZ-OD2 2.64Å
365	A	95.5	Very high	92.2	Very high	16 Å²	16	47 Å²	47	13%	0.132	26%	0.261	C	S	.	.			trans	-64.3	145.6	179.6	0	0	0	0	0	110.7	I337 N338 L339 I363 D367 S406	I337-A365 HydrophobicContact CG2-CB 3.67Å; N338-A365 WeakPolarHBondContact O-CB 3.16Å; N338-A365 PolarHBondContact O-N 3.04Å; L339-A365 HydrophobicContact CD2-CB 3.85Å; L339-A365 HydrophobicContact CG-CB 4.12Å; I363-A365 PolarHBondContact O-N 3.26Å; A365-D367 PolarHBondContact O-N 2.94Å; A365-S406 WeakPolarHBondContact CA-OG 3.38Å
366	V	95.4	Very high	92.3	Very high	48 Å²	48	46.2 Å²	46.2	29%	0.291	25%	0.254	S	S	.	.			trans	-71	115	174.6	-179.3	0	0	0	0	108.7	G368 L371 G402 L405 S406	V366-G368 PolarHBondContact O-N 3.11Å; V366-L371 HydrophobicContact CG1-CD1 4.09Å; V366-L371 HydrophobicContact CG1-CD2 3.87Å; V366-L371 HydrophobicContact CG1-CG 4.17Å; V366-G402 CarbonylContact O-C 3.54Å; V366-G402 WeakPolarHBondContact O-CA 3.48Å; V366-L405 HydrophobicContact CB-CB 4.19Å; V366-L405 HydrophobicContact CG1-CB 4.49Å; V366-L405 HydrophobicContact CG1-CD1 4.06Å; V366-L405 HydrophobicContact CG2-CB 3.83Å; V366-S406 PolarHBondContact N-OG 2.94Å
367	D	93.6	Very high	92.2	Very high	39 Å²	39	52 Å²	52	21%	0.209	28%	0.281	C	S	.	.			trans	-75.5	107.4	177.5	-164.8	-19.3	0	0	0	110.3	L339 R341 A365 K369 A370 L371	L339-D367 HydrophobicContact CD2-CB 3.79Å; R341-D367 WeakPolarHBondContact CD-OD2 3.38Å; R341-D367 IonicContact CZ-OD2 2.85Å; R341-D367 IonicContact NE-OD1 3.96Å; R341-D367 IonicContact NE-OD2 3.36Å; R341-D367 PolarHBondContact NE-OD2 2.89Å; R341-D367 IonicContact NH2-OD1 3.75Å; R341-D367 IonicContact NH2-OD2 4Å; A365-D367 PolarHBondContact O-N 2.94Å; D367-K369 PolarHBondContact O-N 3.14Å; D367-K369 VanDerWaalsContact O-N 3.16Å; D367-K369 WeakPolarHBondContact OD1-CB 3.47Å; D367-K369 PolarHBondContact OD1-N 2.99Å; D367-A370 HydrophobicContact CB-CB 4.18Å; D367-A370 WeakPolarHBondContact O-CB 3.41Å; D367-A370 PolarHBondContact O-N 2.8Å; D367-L371 PolarHBondContact O-N 2.93Å
368	G	89.8	Confident	92.1	Very high	5 Å²	5	56.1 Å²	56.1	5%	0.052	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-56	-29.6	177.2	0	0	0	0	0	113.7	V366 A370 L371 R398	V366-G368 PolarHBondContact O-N 3.11Å; G368-A370 PolarHBondContact O-N 3.24Å; G368-L371 PolarHBondContact O-N 3.33Å; G368-R398 WeakPolarHBondContact CA-O 3.35Å; G368-R398 WeakPolarHBondContact O-CB 3.47Å
369	K	87.9	Confident	92	Very high	114 Å²	114	59.8 Å²	59.8	50%	0.496	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-69.7	-21	176.5	-64.6	-177.2	176.7	177.6	0	113.1	D367 T564	D367-K369 PolarHBondContact O-N 3.14Å; D367-K369 VanDerWaalsContact O-N 3.16Å; D367-K369 WeakPolarHBondContact OD1-CB 3.47Å; D367-K369 PolarHBondContact OD1-N 2.99Å; K369-T564 WeakPolarHBondContact CE-O 3.2Å; K369-T564 PolarHBondContact NZ-O 2.84Å
370	A	88.4	Confident	91.9	Very high	70 Å²	70	54.3 Å²	54.3	58%	0.579	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-93.7	-6.8	178.6	0	0	0	0	0	112.8	D367 G368 Q375	D367-A370 HydrophobicContact CB-CB 4.18Å; D367-A370 WeakPolarHBondContact O-CB 3.41Å; D367-A370 PolarHBondContact O-N 2.8Å; G368-A370 PolarHBondContact O-N 3.24Å; A370-Q375 PolarHBondContact O-OE1 3.19Å
371	L	88.5	Confident	91.7	Very high	19 Å²	19	53.7 Å²	53.7	10%	0.099	32%	0.318	C	S	.	.			trans	-77.8	131	177.6	-66.4	177.1	0	0	0	110.3	V366 D367 G368 L376 R398 I401 L405	V366-L371 HydrophobicContact CG1-CD1 4.09Å; V366-L371 HydrophobicContact CG1-CD2 3.87Å; V366-L371 HydrophobicContact CG1-CG 4.17Å; D367-L371 PolarHBondContact O-N 2.93Å; G368-L371 PolarHBondContact O-N 3.33Å; L371-L376 HydrophobicContact CB-CD2 4.41Å; L371-L376 HydrophobicContact CD1-CD2 4.09Å; L371-R398 WeakPolarHBondContact O-CD 3.4Å; L371-R398 PolarHBondContact O-NH1 3.12Å; L371-I401 HydrophobicContact CD1-CB 4.42Å; L371-I401 HydrophobicContact CD1-CG2 3.93Å; L371-L405 HydrophobicContact CD1-CD1 4.31Å
372	N	87.1	Confident	91.4	Very high	57 Å²	57	57.1 Å²	57.1	31%	0.305	33%	0.331	S	S	.	.			trans	-112.4	164.8	170.7	69.9	50.3	0	0	0	112.4	S374 Q375 L376 R398 E571	N372-S374 VanDerWaalsContact C-N 3.28Å; N372-S374 PolarHBondContact O-N 2.06Å; N372-S374 PolarHBondContact OD1-N 2.88Å; N372-S374 VanDerWaalsContact OD1-N 3.1Å; N372-S374 PolarHBondContact OD1-OG 3.45Å; N372-Q375 PolarHBondContact ND2-OE1 3.3Å; N372-Q375 PolarHBondContact O-N 3.23Å; N372-Q375 VanDerWaalsContact O-N 3.17Å; N372-Q375 WeakPolarHBondContact OD1-CG 3.27Å; N372-Q375 PolarHBondContact OD1-N 3Å; N372-L376 PolarHBondContact O-N 2.81Å; N372-R398 PolarHBondContact O-NH1 2.96Å; N372-E571 WeakPolarHBondContact CA-OE1 3.33Å; N372-E571 WeakPolarHBondContact CB-OE1 3.27Å
373	T	87.1	Confident	91.1	Very high	53 Å²	53	56.3 Å²	56.3	33%	0.325	33%	0.326	S	S	.	.	H	α-helix	trans	-57.9	-38.6	-175.3	-59.6	0	0	0	0	112.8	Q375 L376 Q377 R398 E571	T373-Q375 VanDerWaalsContact C-N 3.31Å; T373-Q375 PolarHBondContact O-N 3.15Å; T373-L376 PolarHBondContact O-N 2.93Å; T373-Q377 WeakPolarHBondContact O-CG 3.43Å; T373-Q377 PolarHBondContact O-N 3.49Å; T373-R398 PolarHBondContact OG1-NH2 2.87Å; T373-E571 PolarHBondContact N-OE1 3.32Å; T373-E571 PolarHBondContact OG1-OE1 3.25Å
374	S	88.6	Confident	90.8	Very high	76 Å²	76	55.8 Å²	55.8	53%	0.531	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-35.6	179.1	72.5	0	0	0	0	112.6	N372 A378	N372-S374 VanDerWaalsContact C-N 3.28Å; N372-S374 PolarHBondContact O-N 2.06Å; N372-S374 PolarHBondContact OD1-N 2.88Å; N372-S374 VanDerWaalsContact OD1-N 3.1Å; N372-S374 PolarHBondContact OD1-OG 3.45Å; S374-A378 WeakPolarHBondContact O-CB 3.49Å; S374-A378 PolarHBondContact O-N 3.18Å
375	Q	89.4	Confident	90.5	Very high	80 Å²	80	56.1 Å²	56.1	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-69.2	-41.9	175.4	-70.5	169	-41.4	0	0	111.6	A370 N372 T373 Q377 A378 L379	A370-Q375 PolarHBondContact O-OE1 3.19Å; N372-Q375 PolarHBondContact ND2-OE1 3.3Å; N372-Q375 PolarHBondContact O-N 3.23Å; N372-Q375 VanDerWaalsContact O-N 3.17Å; N372-Q375 WeakPolarHBondContact OD1-CG 3.27Å; N372-Q375 PolarHBondContact OD1-N 3Å; T373-Q375 VanDerWaalsContact C-N 3.31Å; T373-Q375 PolarHBondContact O-N 3.15Å; Q375-Q377 VanDerWaalsContact C-N 3.33Å; Q375-Q377 PolarHBondContact O-N 3.39Å; Q375-A378 PolarHBondContact O-N 2.69Å; Q375-L379 WeakPolarHBondContact O-CG 3.2Å; Q375-L379 PolarHBondContact O-N 2.84Å
376	L	89.6	Confident	90	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-61.1	-43.6	176.4	-62.8	-177	0	0	0	111.3	L371 N372 T373 L379 G380 I381 I401	L371-L376 HydrophobicContact CB-CD2 4.41Å; L371-L376 HydrophobicContact CD1-CD2 4.09Å; N372-L376 PolarHBondContact O-N 2.81Å; T373-L376 PolarHBondContact O-N 2.93Å; L376-L379 PolarHBondContact O-N 2.62Å; L376-G380 PolarHBondContact O-N 3.09Å; L376-I381 HydrophobicContact CB-CB 4.48Å; L376-I381 HydrophobicContact CD2-CD1 3.72Å; L376-I381 PolarHBondContact O-N 2.83Å; L376-I401 HydrophobicContact CD1-CD1 4.21Å; L376-I401 HydrophobicContact CD2-CD1 4.29Å; L376-I401 HydrophobicContact CD2-CG2 3.9Å
377	Q	88.9	Confident	89.7	Confident	141 Å²	141	56.1 Å²	56.1	66%	0.659	34%	0.341	S	S	*	.	H	α-helix	trans	-63.5	-43.2	175.6	-72.1	174.8	-10.4	0	0	112.1	T373 Q375 L379 G380	T373-Q377 WeakPolarHBondContact O-CG 3.43Å; T373-Q377 PolarHBondContact O-N 3.49Å; Q375-Q377 VanDerWaalsContact C-N 3.33Å; Q375-Q377 PolarHBondContact O-N 3.39Å; Q377-L379 PolarHBondContact O-N 3.33Å; Q377-G380 PolarHBondContact O-N 2.81Å
378	A	91	Very high	89.2	Confident	90 Å²	90	60.3 Å²	60.3	74%	0.744	36%	0.357	S	S	*	.	H	α-helix	trans	-63.3	-30.3	177.1	0	0	0	0	0	112.9	S374 Q375 G380	S374-A378 WeakPolarHBondContact O-CB 3.49Å; S374-A378 PolarHBondContact O-N 3.18Å; Q375-A378 PolarHBondContact O-N 2.69Å; A378-G380 VanDerWaalsContact C-N 3.29Å
379	L	91	Very high	88.6	Confident	80 Å²	80	60.7 Å²	60.7	42%	0.419	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.1	173.8	-69.1	172.4	0	0	0	113.3	Q375 L376 Q377 I381 L405	Q375-L379 WeakPolarHBondContact O-CG 3.2Å; Q375-L379 PolarHBondContact O-N 2.84Å; L376-L379 PolarHBondContact O-N 2.62Å; Q377-L379 PolarHBondContact O-N 3.33Å; L379-I381 VanDerWaalsContact C-N 3.3Å; L379-I381 HydrophobicContact CB-CD1 3.82Å; L379-I381 HydrophobicContact CB-CG1 3.81Å; L379-I381 HydrophobicContact CD1-CD1 3.83Å; L379-I381 HydrophobicContact CG-CD1 4.5Å; L379-L405 HydrophobicContact CD1-CD1 4.05Å
380	G	92.6	Very high	87.8	Confident	33 Å²	33	58.9 Å²	58.9	34%	0.34	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	32.3	-175.9	0	0	0	0	0	113	L376 Q377 A378 E382 F506	L376-G380 PolarHBondContact O-N 3.09Å; Q377-G380 PolarHBondContact O-N 2.81Å; A378-G380 VanDerWaalsContact C-N 3.29Å; G380-E382 PolarHBondContact O-N 2.87Å; G380-F506 CarbonylContact O-C 3.53Å
381	I	92.7	Very high	86.9	Confident	11 Å²	11	58.7 Å²	58.7	6%	0.056	34%	0.342	C	S	.	.			trans	-78.4	115.3	-179.4	-65.3	170.7	0	0	0	109.2	L376 L379 I401 L405 F506 M509	L376-I381 HydrophobicContact CB-CB 4.48Å; L376-I381 HydrophobicContact CD2-CD1 3.72Å; L376-I381 PolarHBondContact O-N 2.83Å; L379-I381 VanDerWaalsContact C-N 3.3Å; L379-I381 HydrophobicContact CB-CD1 3.82Å; L379-I381 HydrophobicContact CB-CG1 3.81Å; L379-I381 HydrophobicContact CD1-CD1 3.83Å; L379-I381 HydrophobicContact CG-CD1 4.5Å; I381-I401 HydrophobicContact CD1-CG2 3.81Å; I381-I401 HydrophobicContact CG2-CD1 4.44Å; I381-L405 HydrophobicContact CD1-CD1 4.15Å; I381-L405 HydrophobicContact CD1-CD2 4.25Å; I381-F506 CarbonylContact C-O 3.47Å; I381-F506 WeakPolarHBondContact CA-O 3.24Å; I381-M509 HydrophobicContact CD1-CE 4.32Å; I381-M509 HydrophobicContact CG1-CE 4.15Å; I381-M509 HydrophobicContact CG2-CB 4.43Å; I381-M509 HydrophobicContact CG2-CE 4.26Å; I381-M509 HydrophobicContact CG2-SD 3.9Å
382	E	91.3	Very high	85.9	Confident	121 Å²	121	60.7 Å²	60.7	57%	0.565	36%	0.358	S	S	*	.			trans	-122.1	134.8	171.8	-63	-177	175.4	0	0	109	G380 F506 T507 K508 M509	G380-E382 PolarHBondContact O-N 2.87Å; E382-F506 PolarHBondContact N-O 3.28Å; E382-T507 CarbonylContact O-C 3.54Å; E382-K508 CarbonylContact O-C 3.4Å; E382-K508 WeakPolarHBondContact O-CA 3.47Å; E382-K508 PolarHBondContact O-N 3.28Å; E382-M509 PolarHBondContact O-N 2.86Å
383	M	90.6	Very high	85.4	Confident	35 Å²	35	60 Å²	60	17%	0.172	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-70.7	143.9	176.2	-169.8	-178.1	75.7	0	0	110.4	Y387 V395 L396 W568	M383-Y387 HydrophobicContact CG-CD1 4.34Å; M383-Y387 HydrophobicContact SD-CD1 3.96Å; M383-V395 HydrophobicContact CE-CB 4.36Å; M383-V395 HydrophobicContact CE-CG1 3.87Å; M383-V395 HydrophobicContact SD-CB 3.71Å; M383-V395 HydrophobicContact SD-CG1 3.91Å; M383-L396 HydrophobicContact CG-CD1 4.08Å; M383-L396 HydrophobicContact CG-CG 4.39Å; M383-W568 HydrophobicContact CB-CD2 4.42Å; M383-W568 HydrophobicContact CB-CH2 4.34Å; M383-W568 HydrophobicContact CB-CZ2 4.1Å
384	L	92.2	Very high	85.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-53	126.9	169.8	-175.9	83.4	0	0	0	110.3	G386 Y387 K508 M509 L510 Y528 H531 F532	L384-G386 PolarHBondContact O-N 3.33Å; L384-Y387 WeakPolarHBondContact O-CB 3.34Å; L384-Y387 PolarHBondContact O-N 3.24Å; L384-Y387 VanDerWaalsContact O-N 3.1Å; L384-K508 HydrophobicContact CD1-CB 3.89Å; L384-M509 PolarHBondContact N-O 3.34Å; L384-L510 HydrophobicContact CB-CD2 4.17Å; L384-L510 HydrophobicContact CD1-CD2 4.41Å; L384-L510 HydrophobicContact CD2-CD2 3.75Å; L384-L510 HydrophobicContact CG-CD2 4.33Å; L384-Y528 HydrophobicContact CD2-CD1 3.58Å; L384-Y528 HydrophobicContact CD2-CD2 4.45Å; L384-Y528 HydrophobicContact CD2-CE1 4.3Å; L384-Y528 HydrophobicContact CD2-CG 3.69Å; L384-H531 HydrophobicContact CD1-CB 3.55Å; L384-F532 HydrophobicContact CD1-CE2 3.87Å; L384-F532 HydrophobicContact CD1-CZ 4.32Å
385	P	88.4	Confident	85	Confident	85 Å²	85	57.5 Å²	57.5	55%	0.552	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	127	178.3	-28.2	35.8	0	0	0	112.5	Y387	P385-Y387 VanDerWaalsContact C-N 3.27Å; P385-Y387 PolarHBondContact O-N 3.3Å
386	G	85.5	Confident	84.9	Confident	62 Å²	62	53.7 Å²	53.7	64%	0.639	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	3	177.7	0	0	0	0	0	115.4	L384 K388	L384-G386 PolarHBondContact O-N 3.33Å; G386-K388 PolarHBondContact O-N 3.25Å
387	Y	88.6	Confident	84.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.008	32%	0.322	C	S	.	.			trans	-61.7	131.7	174.7	175.3	-97.8	0	0	0	111.9	M383 L384 P385 L396 L510 P511 E514 Y528	M383-Y387 HydrophobicContact CG-CD1 4.34Å; M383-Y387 HydrophobicContact SD-CD1 3.96Å; L384-Y387 WeakPolarHBondContact O-CB 3.34Å; L384-Y387 PolarHBondContact O-N 3.24Å; L384-Y387 VanDerWaalsContact O-N 3.1Å; P385-Y387 VanDerWaalsContact C-N 3.27Å; P385-Y387 PolarHBondContact O-N 3.3Å; Y387-L396 HydrophobicContact CD1-CG 4.28Å; Y387-L396 HydrophobicContact CE1-CD2 4.21Å; Y387-L396 HydrophobicContact CE1-CG 4.07Å; Y387-L510 HydrophobicContact CD2-CB 3.97Å; Y387-L510 HydrophobicContact CE2-CB 4.14Å; Y387-L510 HydrophobicContact CG-CB 4.36Å; Y387-P511 HydrophobicContact CE1-CG 4.44Å; Y387-P511 WeakPolarHBondContact OH-CD 3.45Å; Y387-P511 WeakPolarHBondContact OH-CG 3.39Å; Y387-E514 HydrophobicContact CE2-CG 4.47Å; Y387-Y528 HydrophobicContact CD2-CD2 4.48Å; Y387-Y528 AromaticContact CD2-CE2 3.87Å; Y387-Y528 HydrophobicContact CD2-CE2 3.87Å; Y387-Y528 HydrophobicContact CE2-CE2 4.35Å
388	K	83.8	Confident	84.9	Confident	127 Å²	127	46.8 Å²	46.8	55%	0.552	29%	0.291	S	S	*	.			trans	-140.1	138.1	166.3	-64.4	-172.4	177.6	-169	0	109.1	G386 R394 Y528	G386-K388 PolarHBondContact O-N 3.25Å; K388-R394 CarbonylContact C-O 3.41Å; K388-R394 WeakPolarHBondContact CA-O 3.22Å; K388-Y528 PolarHBondContact N-OH 2.83Å; K388-Y528 PolarHBondContact O-OH 3.36Å
389	D	76.4	Confident	84.9	Confident	13 Å²	13	42.7 Å²	42.7	7%	0.07	26%	0.258	C	S	.	.			trans	-55.7	125.3	172.3	173.4	-103.1	0	0	0	109.5	Y391 S392 G393 R394	D389-Y391 PolarHBondContact O-N 3.13Å; D389-Y391 PolarHBondContact OD1-N 3.25Å; D389-Y391 VanDerWaalsContact OD1-N 3.07Å; D389-S392 VanDerWaalsContact CG-OG 3.29Å; D389-S392 WeakPolarHBondContact OD1-CB 3.38Å; D389-S392 PolarHBondContact OD1-N 3.5Å; D389-S392 PolarHBondContact OD1-OG 3.33Å; D389-G393 VanDerWaalsContact O-CA 3.25Å; D389-G393 WeakPolarHBondContact O-CA 3.05Å; D389-G393 PolarHBondContact O-N 3.38Å; D389-R394 HydrophobicContact CB-CG 3.97Å; D389-R394 PolarHBondContact N-O 2.84Å
390	P	71.4	Confident	85	Confident	75 Å²	75	39.8 Å²	39.8	49%	0.487	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18	-174	-28.9	38.3	0	0	0	115.3	Y485	P390-Y485 WeakPolarHBondContact CG-OH 3.3Å
391	Y	70.3	Confident	85	Confident	66 Å²	66	38.3 Å²	38.3	26%	0.259	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-36.7	-173.9	-63	-72	0	0	0	114.3	D389 M463 Y485 K584	D389-Y391 PolarHBondContact O-N 3.13Å; D389-Y391 PolarHBondContact OD1-N 3.25Å; D389-Y391 VanDerWaalsContact OD1-N 3.07Å; Y391-M463 WeakPolarHBondContact OH-CE 3.36Å; Y391-Y485 HydrophobicContact CE2-CD2 4.25Å; Y391-Y485 AromaticContact CE2-CE2 3.44Å; Y391-Y485 HydrophobicContact CE2-CE2 3.44Å; Y391-Y485 VanDerWaalsContact CE2-CE2 3.44Å; Y391-Y485 AromaticContact CE2-CZ 3.99Å; Y391-Y485 AromaticContact CZ-CE2 3.9Å; Y391-Y485 WeakPolarHBondContact OH-CE2 3.39Å; Y391-K584 HydrophobicContact CD1-CD 4.45Å; Y391-K584 HydrophobicContact CD1-CG 3.7Å; Y391-K584 HydrophobicContact CD2-CD 4.29Å; Y391-K584 HydrophobicContact CD2-CG 4.38Å; Y391-K584 HydrophobicContact CE1-CG 4.32Å; Y391-K584 HydrophobicContact CG-CD 3.96Å; Y391-K584 HydrophobicContact CG-CG 3.72Å
392	S	68.2	Low	85.2	Confident	61 Å²	61	37.8 Å²	37.8	43%	0.427	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-14	-176.5	57.4	0	0	0	0	112.5	D389 R394	D389-S392 VanDerWaalsContact CG-OG 3.29Å; D389-S392 WeakPolarHBondContact OD1-CB 3.38Å; D389-S392 PolarHBondContact OD1-N 3.5Å; D389-S392 PolarHBondContact OD1-OG 3.33Å; S392-R394 PolarHBondContact O-N 3.45Å; S392-R394 WeakPolarHBondContact OG-CD 3.46Å; S392-R394 WeakPolarHBondContact OG-CG 2.72Å; S392-R394 PolarHBondContact OG-NE 3.16Å
393	G	75.4	Confident	85.4	Confident	43 Å²	43	33.2 Å²	33.2	44%	0.443	21%	0.205	S	C	.	.			trans	70.6	7.2	179.9	0	0	0	0	0	114.2	D389	D389-G393 VanDerWaalsContact O-CA 3.25Å; D389-G393 WeakPolarHBondContact O-CA 3.05Å; D389-G393 PolarHBondContact O-N 3.38Å
394	R	81.1	Confident	85.7	Confident	41 Å²	41	31.6 Å²	31.6	16%	0.155	20%	0.197	C	C	.	.			trans	-82.9	165.4	-179.5	71.9	-176.3	170.7	68	-2.7	112.1	K388 D389 S392 E400	K388-R394 CarbonylContact C-O 3.41Å; K388-R394 WeakPolarHBondContact CA-O 3.22Å; D389-R394 HydrophobicContact CB-CG 3.97Å; D389-R394 PolarHBondContact N-O 2.84Å; S392-R394 PolarHBondContact O-N 3.45Å; S392-R394 WeakPolarHBondContact OG-CD 3.46Å; S392-R394 WeakPolarHBondContact OG-CG 2.72Å; S392-R394 PolarHBondContact OG-NE 3.16Å; R394-E400 IonicContact CZ-OE1 2.62Å; R394-E400 IonicContact CZ-OE2 3.4Å; R394-E400 VanDerWaalsContact NH1-CD 3.34Å; R394-E400 IonicContact NH1-OE1 3.33Å; R394-E400 PolarHBondContact NH1-OE1 2.97Å; R394-E400 IonicContact NH1-OE2 3.21Å; R394-E400 PolarHBondContact NH1-OE2 3.12Å; R394-E400 IonicContact NH2-OE1 3.24Å; R394-E400 PolarHBondContact NH2-OE1 3.05Å; R394-E400 IonicContact NH2-OE2 2.71Å
395	V	86.5	Confident	85.9	Confident	35 Å²	35	32.4 Å²	32.4	21%	0.212	20%	0.201	C	C	.	.			trans	-79.3	177.8	167.7	-65.4	0	0	0	0	111.2	M383 T397 I567	M383-V395 HydrophobicContact CE-CB 4.36Å; M383-V395 HydrophobicContact CE-CG1 3.87Å; M383-V395 HydrophobicContact SD-CB 3.71Å; M383-V395 HydrophobicContact SD-CG1 3.91Å; V395-T397 PolarHBondContact O-N 3.09Å; V395-I567 HydrophobicContact CG2-CB 4.08Å; V395-I567 HydrophobicContact CG2-CG2 4.4Å
396	L	87.3	Confident	86.4	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	18%	0.175	C	C	.	.			trans	-52.6	141.2	174.7	-82.7	175.4	0	0	0	112.2	M383 Y387 E400 I401 M509 P511 W568	M383-L396 HydrophobicContact CG-CD1 4.08Å; M383-L396 HydrophobicContact CG-CG 4.39Å; Y387-L396 HydrophobicContact CD1-CG 4.28Å; Y387-L396 HydrophobicContact CE1-CD2 4.21Å; Y387-L396 HydrophobicContact CE1-CG 4.07Å; L396-E400 HydrophobicContact CD2-CB 3.83Å; L396-I401 HydrophobicContact CB-CG1 4.48Å; L396-I401 HydrophobicContact CD1-CG1 4.25Å; L396-M509 HydrophobicContact CD1-CB 4.19Å; L396-M509 HydrophobicContact CD1-CG 3.95Å; L396-P511 VanDerWaalsContact CD2-CD 3.45Å; L396-P511 HydrophobicContact CD2-CG 3.59Å; L396-W568 HydrophobicContact CB-CB 4.19Å; L396-W568 HydrophobicContact CB-CG 4.41Å; L396-W568 WeakPolarHBondContact O-CB 3.35Å; L396-W568 PolarHBondContact O-N 3.3Å
397	T	88.8	Confident	87	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-89.4	155.3	163.9	54.5	0	0	0	0	110.5	V395 G399 E400 I401 T562 T566 T575	V395-T397 PolarHBondContact O-N 3.09Å; T397-G399 PolarHBondContact O-N 2.99Å; T397-E400 PolarHBondContact N-OE2 3.49Å; T397-E400 PolarHBondContact O-N 3.33Å; T397-E400 WeakPolarHBondContact OG1-CB 3.2Å; T397-E400 WeakPolarHBondContact OG1-CG 3.3Å; T397-E400 PolarHBondContact OG1-N 3.37Å; T397-E400 VanDerWaalsContact OG1-N 3.13Å; T397-E400 PolarHBondContact OG1-OE2 2.83Å; T397-I401 WeakPolarHBondContact O-CG1 3.45Å; T397-I401 PolarHBondContact O-N 3.38Å; T397-I401 VanDerWaalsContact O-N 3.09Å; T397-T562 PolarHBondContact OG1-O 3Å; T397-T566 CarbonylContact C-O 3.54Å; T397-T566 VanDerWaalsContact CA-O 3.32Å; T397-T566 WeakPolarHBondContact CA-O 3.43Å; T397-T575 HydrophobicContact CG2-CG2 3.74Å
398	R	90.2	Very high	87.5	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-29.6	171.9	-62.4	-174	176.8	-109.3	-6.2	112.3	G368 L371 N372 T373 I401 G402 T566 I567 W568 E571	G368-R398 WeakPolarHBondContact CA-O 3.35Å; G368-R398 WeakPolarHBondContact O-CB 3.47Å; L371-R398 WeakPolarHBondContact O-CD 3.4Å; L371-R398 PolarHBondContact O-NH1 3.12Å; N372-R398 PolarHBondContact O-NH1 2.96Å; T373-R398 PolarHBondContact OG1-NH2 2.87Å; R398-I401 PolarHBondContact O-N 2.75Å; R398-G402 PolarHBondContact O-N 3.29Å; R398-T566 WeakPolarHBondContact CD-OG1 3.2Å; R398-T566 PolarHBondContact N-O 3.24Å; R398-T566 PolarHBondContact NE-OG1 3.01Å; R398-I567 PolarHBondContact NE-O 3.05Å; R398-W568 PolarHBondContact NH2-O 3.07Å; R398-E571 IonicContact CZ-OE1 3.64Å; R398-E571 IonicContact NH1-OE1 2.73Å; R398-E571 IonicContact NH2-OE1 3.64Å
399	G	90.6	Very high	88.1	Confident	4 Å²	4	22.6 Å²	22.6	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-46.5	171	0	0	0	0	0	112.9	T397 I401 G402 C403 T562 S565	T397-G399 PolarHBondContact O-N 2.99Å; G399-I401 VanDerWaalsContact C-N 3.34Å; G399-I401 PolarHBondContact O-N 2.71Å; G399-G402 PolarHBondContact O-N 2.82Å; G399-C403 PolarHBondContact O-N 3.21Å; G399-T562 WeakPolarHBondContact CA-O 3.3Å; G399-S565 PolarHBondContact N-OG 2.86Å
400	E	92.8	Very high	89.2	Confident	19 Å²	19	22 Å²	22	9%	0.089	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-37.9	174	-74.3	158.2	159.3	0	0	112.5	R394 L396 T397 C403 F404 P511	R394-E400 IonicContact CZ-OE1 2.62Å; R394-E400 IonicContact CZ-OE2 3.4Å; R394-E400 VanDerWaalsContact NH1-CD 3.34Å; R394-E400 IonicContact NH1-OE1 3.33Å; R394-E400 PolarHBondContact NH1-OE1 2.97Å; R394-E400 IonicContact NH1-OE2 3.21Å; R394-E400 PolarHBondContact NH1-OE2 3.12Å; R394-E400 IonicContact NH2-OE1 3.24Å; R394-E400 PolarHBondContact NH2-OE1 3.05Å; R394-E400 IonicContact NH2-OE2 2.71Å; L396-E400 HydrophobicContact CD2-CB 3.83Å; T397-E400 PolarHBondContact N-OE2 3.49Å; T397-E400 PolarHBondContact O-N 3.33Å; T397-E400 WeakPolarHBondContact OG1-CB 3.2Å; T397-E400 WeakPolarHBondContact OG1-CG 3.3Å; T397-E400 PolarHBondContact OG1-N 3.37Å; T397-E400 VanDerWaalsContact OG1-N 3.13Å; T397-E400 PolarHBondContact OG1-OE2 2.83Å; E400-C403 WeakPolarHBondContact O-CB 3.36Å; E400-C403 PolarHBondContact O-N 3.45Å; E400-F404 PolarHBondContact O-N 3.35Å; E400-P511 HydrophobicContact CG-CG 4.41Å
401	I	93.9	Very high	90.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-47.9	172.6	-66.3	169.5	0	0	0	110.4	L371 L376 I381 L396 T397 R398 G399 C403 F404 L405 M509 W568	L371-I401 HydrophobicContact CD1-CB 4.42Å; L371-I401 HydrophobicContact CD1-CG2 3.93Å; L376-I401 HydrophobicContact CD1-CD1 4.21Å; L376-I401 HydrophobicContact CD2-CD1 4.29Å; L376-I401 HydrophobicContact CD2-CG2 3.9Å; I381-I401 HydrophobicContact CD1-CG2 3.81Å; I381-I401 HydrophobicContact CG2-CD1 4.44Å; L396-I401 HydrophobicContact CB-CG1 4.48Å; L396-I401 HydrophobicContact CD1-CG1 4.25Å; T397-I401 WeakPolarHBondContact O-CG1 3.45Å; T397-I401 PolarHBondContact O-N 3.38Å; T397-I401 VanDerWaalsContact O-N 3.09Å; R398-I401 PolarHBondContact O-N 2.75Å; G399-I401 VanDerWaalsContact C-N 3.34Å; G399-I401 PolarHBondContact O-N 2.71Å; I401-C403 VanDerWaalsContact C-N 3.31Å; I401-C403 PolarHBondContact O-N 2.84Å; I401-F404 PolarHBondContact O-N 3.43Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.24Å; I401-L405 VanDerWaalsContact O-CG 3.3Å; I401-L405 WeakPolarHBondContact O-CG 3.07Å; I401-L405 PolarHBondContact O-N 2.85Å; I401-M509 HydrophobicContact CB-SD 4.27Å; I401-M509 HydrophobicContact CG1-SD 3.92Å; I401-M509 HydrophobicContact CG2-SD 4Å; I401-W568 HydrophobicContact CD1-CB 3.62Å
402	G	95.7	Very high	91.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-41.1	177	0	0	0	0	0	112.7	V366 R398 G399 L405 S406	V366-G402 CarbonylContact O-C 3.54Å; V366-G402 WeakPolarHBondContact O-CA 3.48Å; R398-G402 PolarHBondContact O-N 3.29Å; G399-G402 PolarHBondContact O-N 2.82Å; G402-L405 PolarHBondContact O-N 3.28Å; G402-S406 WeakPolarHBondContact O-CB 3.37Å; G402-S406 PolarHBondContact O-N 2.83Å; G402-S406 PolarHBondContact O-OG 3.06Å
403	C	95.8	Very high	93.2	Very high	26 Å²	26	19.9 Å²	19.9	18%	0.176	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-51.6	172.8	-175.6	0	0	0	0	111.4	G399 E400 I401 L405 S406 H407 T562	G399-C403 PolarHBondContact O-N 3.21Å; E400-C403 WeakPolarHBondContact O-CB 3.36Å; E400-C403 PolarHBondContact O-N 3.45Å; I401-C403 VanDerWaalsContact C-N 3.31Å; I401-C403 PolarHBondContact O-N 2.84Å; C403-L405 PolarHBondContact O-N 2.87Å; C403-S406 WeakPolarHBondContact O-CB 3.39Å; C403-S406 PolarHBondContact O-N 3.28Å; C403-S406 VanDerWaalsContact O-N 3.11Å; C403-H407 PolarHBondContact O-CD2 3.2Å; C403-H407 VanDerWaalsContact O-CD2 3.31Å; C403-H407 PolarHBondContact O-N 3.42Å; C403-H407 VanDerWaalsContact O-N 3.16Å; C403-T562 HydrophobicContact CB-CG2 3.82Å
404	F	97.2	Very high	94.3	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-56.4	-48.3	178	-165.2	-72	0	0	0	112.2	E400 I401 S406 H407 H408 W411 P505 F506 M509 L510 V512 F515	E400-F404 PolarHBondContact O-N 3.35Å; I401-F404 PolarHBondContact O-N 3.43Å; F404-S406 PolarHBondContact O-N 3.02Å; F404-H407 PolarHBondContact O-N 2.88Å; F404-H408 HydrophobicContact CD1-CB 4.33Å; F404-H408 HydrophobicContact CE1-CB 4.3Å; F404-H408 WeakPolarHBondContact O-CB 3.46Å; F404-H408 PolarHBondContact O-N 3.24Å; F404-W411 HydrophobicContact CE1-CH2 4.29Å; F404-W411 HydrophobicContact CE1-CZ3 4.07Å; F404-W411 HydrophobicContact CZ-CH2 4.04Å; F404-W411 HydrophobicContact CZ-CZ3 4.05Å; F404-P505 HydrophobicContact CE1-CB 3.89Å; F404-P505 HydrophobicContact CE1-CG 3.71Å; F404-P505 HydrophobicContact CZ-CB 3.5Å; F404-P505 HydrophobicContact CZ-CG 3.74Å; F404-F506 HydrophobicContact CD1-CE1 4.25Å; F404-F506 HydrophobicContact CE1-CD1 4.42Å; F404-F506 HydrophobicContact CE1-CE1 4.16Å; F404-M509 HydrophobicContact CB-SD 4.35Å; F404-M509 HydrophobicContact CD1-CE 3.81Å; F404-M509 HydrophobicContact CD2-CG 4.47Å; F404-M509 HydrophobicContact CE1-CE 4.33Å; F404-M509 HydrophobicContact CG-CE 4.18Å; F404-M509 HydrophobicContact CG-CG 4.47Å; F404-M509 HydrophobicContact CG-SD 4.37Å; F404-L510 VanDerWaalsContact CD2-O 3.26Å; F404-L510 WeakPolarHBondContact CD2-O 3.41Å; F404-V512 HydrophobicContact CD2-CB 3.84Å; F404-V512 HydrophobicContact CD2-CG2 4.39Å; F404-V512 HydrophobicContact CE2-CB 4.42Å; F404-V512 HydrophobicContact CG-CB 4.44Å; F404-F515 HydrophobicContact CE2-CB 3.75Å; F404-F515 AromaticContact CE2-CD1 3.68Å; F404-F515 HydrophobicContact CE2-CD1 3.68Å; F404-F515 HydrophobicContact CE2-CD2 4.43Å; F404-F515 HydrophobicContact CE2-CE1 4.38Å; F404-F515 AromaticContact CE2-CG 3.7Å; F404-F515 HydrophobicContact CE2-CG 3.7Å; F404-F515 AromaticContact CZ-CD1 3.73Å; F404-F515 HydrophobicContact CZ-CD1 3.73Å; F404-F515 AromaticContact CZ-CE1 3.96Å; F404-F515 HydrophobicContact CZ-CE1 3.96Å; F404-F515 HydrophobicContact CZ-CG 4.02Å; F404-F515 HydrophobicContact CZ-CZ 4.46Å
405	L	97.1	Very high	95.2	Very high	16 Å²	16	17.7 Å²	17.7	8%	0.084	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-35.4	179.4	-68.6	174.6	0	0	0	112.1	V366 L371 L379 I381 I401 G402 C403 S409 F506 M509	V366-L405 HydrophobicContact CB-CB 4.19Å; V366-L405 HydrophobicContact CG1-CB 4.49Å; V366-L405 HydrophobicContact CG1-CD1 4.06Å; V366-L405 HydrophobicContact CG2-CB 3.83Å; L371-L405 HydrophobicContact CD1-CD1 4.31Å; L379-L405 HydrophobicContact CD1-CD1 4.05Å; I381-L405 HydrophobicContact CD1-CD1 4.15Å; I381-L405 HydrophobicContact CD1-CD2 4.25Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.24Å; I401-L405 VanDerWaalsContact O-CG 3.3Å; I401-L405 WeakPolarHBondContact O-CG 3.07Å; I401-L405 PolarHBondContact O-N 2.85Å; G402-L405 PolarHBondContact O-N 3.28Å; C403-L405 PolarHBondContact O-N 2.87Å; L405-S409 WeakPolarHBondContact O-CB 3.33Å; L405-S409 PolarHBondContact O-N 3Å; L405-F506 HydrophobicContact CD2-CE1 3.71Å; L405-F506 HydrophobicContact CD2-CE2 4.02Å; L405-F506 HydrophobicContact CD2-CZ 3.38Å; L405-M509 HydrophobicContact CD2-CE 4.45Å
406	S	97.8	Very high	95.7	Very high	1 Å²	1	21 Å²	21	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-48.1	177.4	-55.3	0	0	0	0	111.5	A365 V366 G402 C403 F404 S409 I410	A365-S406 WeakPolarHBondContact CA-OG 3.38Å; V366-S406 PolarHBondContact N-OG 2.94Å; G402-S406 WeakPolarHBondContact O-CB 3.37Å; G402-S406 PolarHBondContact O-N 2.83Å; G402-S406 PolarHBondContact O-OG 3.06Å; C403-S406 WeakPolarHBondContact O-CB 3.39Å; C403-S406 PolarHBondContact O-N 3.28Å; C403-S406 VanDerWaalsContact O-N 3.11Å; F404-S406 PolarHBondContact O-N 3.02Å; S406-S409 PolarHBondContact O-N 3.16Å; S406-S409 PolarHBondContact O-OG 2.77Å; S406-I410 PolarHBondContact O-N 2.73Å
407	H	98.4	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-43.3	174.7	-73.3	-81.5	0	0	0	112.4	I337 C403 F404 S409 I410 W411 E426 T487 Y490 V512	I337-H407 WeakPolarHBondContact CD1-CE1 3.49Å; I337-H407 WeakPolarHBondContact CD1-ND1 3.12Å; C403-H407 PolarHBondContact O-CD2 3.2Å; C403-H407 VanDerWaalsContact O-CD2 3.31Å; C403-H407 PolarHBondContact O-N 3.42Å; C403-H407 VanDerWaalsContact O-N 3.16Å; F404-H407 PolarHBondContact O-N 2.88Å; H407-S409 VanDerWaalsContact C-N 3.25Å; H407-S409 PolarHBondContact O-N 2.82Å; H407-I410 WeakPolarHBondContact O-CB 3.1Å; H407-I410 PolarHBondContact O-N 3.43Å; H407-W411 HydrophobicContact CB-CZ2 3.84Å; H407-W411 VanDerWaalsContact O-CD1 3.27Å; H407-W411 PolarHBondContact O-N 3.12Å; H407-W411 PolarHBondContact O-NE1 2.99Å; H407-E426 IonicContact CE1-OE1 3.45Å; H407-E426 IonicContact NE2-OE1 2.9Å; H407-E426 PolarHBondContact NE2-OE1 3.31Å; H407-T487 PolarHBondContact NE2-OG1 3Å; H407-Y490 AromaticContact CE1-CE1 3.74Å; H407-Y490 AromaticContact ND1-CE1 3.57Å; H407-Y490 AromaticContact ND1-CZ 3.66Å; H407-Y490 PolarHBondContact ND1-OH 2.97Å; H407-V512 HydrophobicContact CB-CG2 4.15Å
408	H	98.1	Very high	96.7	Very high	32 Å²	32	28.6 Å²	28.6	15%	0.148	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-39	176.8	179.4	-80.3	0	0	0	112.1	F404 I410 W411 K412 L501 F506	F404-H408 HydrophobicContact CD1-CB 4.33Å; F404-H408 HydrophobicContact CE1-CB 4.3Å; F404-H408 WeakPolarHBondContact O-CB 3.46Å; F404-H408 PolarHBondContact O-N 3.24Å; H408-I410 PolarHBondContact O-N 3.09Å; H408-W411 HydrophobicContact CB-CE3 4.08Å; H408-W411 HydrophobicContact CB-CZ3 4.21Å; H408-W411 PolarHBondContact O-N 2.97Å; H408-K412 PolarHBondContact O-N 2.79Å; H408-L501 VanDerWaalsContact NE2-CD2 3.27Å; H408-L501 WeakPolarHBondContact NE2-CD2 3.45Å; H408-F506 HydrophobicContact CB-CE1 4.28Å; H408-F506 HydrophobicContact CB-CZ 4.47Å; H408-F506 AromaticContact CD2-CE1 3.66Å; H408-F506 AromaticContact CD2-CZ 3.93Å; H408-F506 AromaticContact CE1-CZ 3.66Å; H408-F506 AromaticContact CG-CE1 3.75Å; H408-F506 AromaticContact CG-CZ 3.76Å; H408-F506 AromaticContact ND1-CZ 3.59Å; H408-F506 AromaticContact NE2-CE1 3.93Å; H408-F506 AromaticContact NE2-CZ 3.86Å
409	S	97.8	Very high	97.1	Very high	38 Å²	38	29.5 Å²	29.5	27%	0.266	16%	0.156	S	C	.	.	H	α-helix	trans	-60.3	-35.4	175.8	83.1	0	0	0	0	112.5	L405 S406 H407 Q413	L405-S409 WeakPolarHBondContact O-CB 3.33Å; L405-S409 PolarHBondContact O-N 3Å; S406-S409 PolarHBondContact O-N 3.16Å; S406-S409 PolarHBondContact O-OG 2.77Å; H407-S409 VanDerWaalsContact C-N 3.25Å; H407-S409 PolarHBondContact O-N 2.82Å; S409-Q413 WeakPolarHBondContact O-CG 3.44Å; S409-Q413 PolarHBondContact O-N 3.45Å
410	I	98.4	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.9	-45.3	175.7	-68.1	164.4	0	0	0	110.4	F335 I337 I363 S406 H407 H408 K412 Q413 V414 V424	F335-I410 HydrophobicContact CB-CD1 3.95Å; F335-I410 HydrophobicContact CB-CG1 4.39Å; F335-I410 HydrophobicContact CD2-CG2 3.55Å; F335-I410 HydrophobicContact CE2-CG2 3.84Å; F335-I410 HydrophobicContact CG-CD1 4.38Å; F335-I410 HydrophobicContact CG-CG1 4.3Å; F335-I410 HydrophobicContact CG-CG2 4.07Å; I337-I410 HydrophobicContact CD1-CD1 3.62Å; I337-I410 HydrophobicContact CG1-CD1 3.48Å; I337-I410 VanDerWaalsContact CG1-CD1 3.48Å; I363-I410 HydrophobicContact CB-CD1 4.41Å; I363-I410 HydrophobicContact CD1-CG1 4.36Å; I363-I410 HydrophobicContact CG1-CD1 3.99Å; I363-I410 HydrophobicContact CG1-CG1 3.87Å; I363-I410 HydrophobicContact CG2-CD1 4.28Å; I363-I410 HydrophobicContact CG2-CG1 4.19Å; S406-I410 PolarHBondContact O-N 2.73Å; H407-I410 WeakPolarHBondContact O-CB 3.1Å; H407-I410 PolarHBondContact O-N 3.43Å; H408-I410 PolarHBondContact O-N 3.09Å; I410-K412 PolarHBondContact O-N 3.11Å; I410-Q413 CarbonylContact O-C 3.51Å; I410-Q413 WeakPolarHBondContact O-CA 3.45Å; I410-Q413 WeakPolarHBondContact O-CB 3.29Å; I410-Q413 PolarHBondContact O-N 3.03Å; I410-V414 HydrophobicContact CG2-CG2 4.24Å; I410-V414 WeakPolarHBondContact O-CG2 3.36Å; I410-V414 PolarHBondContact O-N 2.87Å; I410-V424 HydrophobicContact CD1-CG1 3.81Å; I410-V424 HydrophobicContact CG2-CG2 3.86Å
411	W	98.6	Very high	97.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.4	-43.1	177.5	-52	-20.8	0	0	0	110.9	F404 H407 H408 V414 V415 Y490 L492 A497 L500 L501 V512 F515 L516	F404-W411 HydrophobicContact CE1-CH2 4.29Å; F404-W411 HydrophobicContact CE1-CZ3 4.07Å; F404-W411 HydrophobicContact CZ-CH2 4.04Å; F404-W411 HydrophobicContact CZ-CZ3 4.05Å; H407-W411 HydrophobicContact CB-CZ2 3.84Å; H407-W411 VanDerWaalsContact O-CD1 3.27Å; H407-W411 PolarHBondContact O-N 3.12Å; H407-W411 PolarHBondContact O-NE1 2.99Å; H408-W411 HydrophobicContact CB-CE3 4.08Å; H408-W411 HydrophobicContact CB-CZ3 4.21Å; H408-W411 PolarHBondContact O-N 2.97Å; W411-V414 PolarHBondContact O-N 3.07Å; W411-V415 PolarHBondContact O-N 2.95Å; W411-Y490 PolarHBondContact NE1-OH 2.95Å; W411-L492 HydrophobicContact CG-CD2 4.25Å; W411-A497 HydrophobicContact CB-CB 4.3Å; W411-L500 HydrophobicContact CD2-CB 4.08Å; W411-L500 HydrophobicContact CD2-CD1 3.93Å; W411-L500 HydrophobicContact CE3-CB 3.8Å; W411-L500 HydrophobicContact CE3-CD1 4.38Å; W411-L500 HydrophobicContact CG-CD1 4.35Å; W411-L500 HydrophobicContact CH2-CD1 4.46Å; W411-L500 HydrophobicContact CZ2-CD1 3.98Å; W411-L500 HydrophobicContact CZ3-CB 4.11Å; W411-L501 HydrophobicContact CB-CD1 4.32Å; W411-L501 HydrophobicContact CB-CD2 4.07Å; W411-L501 HydrophobicContact CB-CG 4.05Å; W411-L501 HydrophobicContact CE3-CD2 4.49Å; W411-V512 HydrophobicContact CH2-CG2 4.12Å; W411-V512 HydrophobicContact CZ2-CG2 4Å; W411-F515 AromaticContact CH2-CD1 3.91Å; W411-F515 HydrophobicContact CH2-CD1 3.91Å; W411-F515 AromaticContact CH2-CE1 3.67Å; W411-F515 HydrophobicContact CH2-CE1 3.67Å; W411-F515 HydrophobicContact CZ3-CD1 4.44Å; W411-F515 AromaticContact CZ3-CE1 3.81Å; W411-F515 HydrophobicContact CZ3-CE1 3.81Å; W411-L516 HydrophobicContact CZ2-CD2 4.22Å
412	K	98.3	Very high	97.9	Very high	102 Å²	102	35.5 Å²	35.5	44%	0.443	18%	0.182	S	C	.	.	H	α-helix	trans	-59.8	-47.1	173.6	179.2	169.1	174	50.3	0	111.9	H408 I410 V414 V415 D416	H408-K412 PolarHBondContact O-N 2.79Å; I410-K412 PolarHBondContact O-N 3.11Å; K412-V414 PolarHBondContact O-N 2.94Å; K412-V415 PolarHBondContact O-N 3.45Å; K412-D416 VanDerWaalsContact CE-OD2 3.3Å; K412-D416 WeakPolarHBondContact CE-OD2 3.4Å; K412-D416 WeakPolarHBondContact CG-OD2 3.41Å; K412-D416 IonicContact NZ-OD1 3.65Å; K412-D416 IonicContact NZ-OD2 3.84Å; K412-D416 PolarHBondContact NZ-OD2 3.43Å; K412-D416 VanDerWaalsContact O-CB 3.3Å; K412-D416 WeakPolarHBondContact O-CB 3.44Å; K412-D416 PolarHBondContact O-N 3.42Å
413	Q	98.3	Very high	98.1	Very high	56 Å²	56	35.5 Å²	35.5	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-39.9	177.1	-76.2	-177.4	69.3	0	0	113.3	S409 I410 V415 D416 R417	S409-Q413 WeakPolarHBondContact O-CG 3.44Å; S409-Q413 PolarHBondContact O-N 3.45Å; I410-Q413 CarbonylContact O-C 3.51Å; I410-Q413 WeakPolarHBondContact O-CA 3.45Å; I410-Q413 WeakPolarHBondContact O-CB 3.29Å; I410-Q413 PolarHBondContact O-N 3.03Å; Q413-V415 VanDerWaalsContact C-N 3.3Å; Q413-V415 PolarHBondContact O-N 2.95Å; Q413-D416 PolarHBondContact O-N 2.91Å; Q413-R417 WeakPolarHBondContact O-CB 3.43Å; Q413-R417 WeakPolarHBondContact O-CG 3.21Å; Q413-R417 PolarHBondContact O-N 2.84Å
414	V	98.7	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-45.8	176.6	169.7	0	0	0	0	110.6	F335 I410 W411 K412 G418 L419 V422 A497	F335-V414 HydrophobicContact CE2-CG2 4.28Å; I410-V414 HydrophobicContact CG2-CG2 4.24Å; I410-V414 WeakPolarHBondContact O-CG2 3.36Å; I410-V414 PolarHBondContact O-N 2.87Å; W411-V414 PolarHBondContact O-N 3.07Å; K412-V414 PolarHBondContact O-N 2.94Å; V414-G418 PolarHBondContact O-N 3.2Å; V414-L419 HydrophobicContact CG1-CB 4.34Å; V414-L419 PolarHBondContact O-N 2.95Å; V414-V422 HydrophobicContact CG2-CB 4.38Å; V414-V422 HydrophobicContact CG2-CG1 3.97Å; V414-V422 HydrophobicContact CG2-CG2 3.52Å; V414-A497 HydrophobicContact CB-CB 3.96Å; V414-A497 HydrophobicContact CG1-CB 3.69Å
415	V	98.6	Very high	98.3	Very high	37 Å²	37	34.2 Å²	34.2	22%	0.224	17%	0.174	C	C	.	.	H	α-helix	trans	-71.8	-49.7	178.8	178.1	0	0	0	0	111.8	W411 K412 Q413 R417 G418 A497 R498 L501	W411-V415 PolarHBondContact O-N 2.95Å; K412-V415 PolarHBondContact O-N 3.45Å; Q413-V415 VanDerWaalsContact C-N 3.3Å; Q413-V415 PolarHBondContact O-N 2.95Å; V415-R417 VanDerWaalsContact C-N 3.31Å; V415-R417 PolarHBondContact O-N 3.12Å; V415-G418 PolarHBondContact O-N 3.21Å; V415-A497 HydrophobicContact CG2-CB 3.87Å; V415-R498 HydrophobicContact CG1-CG 4.19Å; V415-R498 HydrophobicContact CG2-CG 3.61Å; V415-L501 HydrophobicContact CB-CD1 4.3Å; V415-L501 HydrophobicContact CG2-CD1 3.8Å
416	D	98.3	Very high	98.3	Very high	106 Å²	106	35 Å²	35	57%	0.567	18%	0.177	S	C	*	.	H	α-helix	trans	-63.6	-35.7	-175.5	-71	-9.3	0	0	0	111.8	K412 Q413	K412-D416 VanDerWaalsContact CE-OD2 3.3Å; K412-D416 WeakPolarHBondContact CE-OD2 3.4Å; K412-D416 WeakPolarHBondContact CG-OD2 3.41Å; K412-D416 IonicContact NZ-OD1 3.65Å; K412-D416 IonicContact NZ-OD2 3.84Å; K412-D416 PolarHBondContact NZ-OD2 3.43Å; K412-D416 VanDerWaalsContact O-CB 3.3Å; K412-D416 WeakPolarHBondContact O-CB 3.44Å; K412-D416 PolarHBondContact O-N 3.42Å; Q413-D416 PolarHBondContact O-N 2.91Å
417	R	98.3	Very high	98.1	Very high	123 Å²	123	35.6 Å²	35.6	46%	0.464	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.3	178.7	-64.7	167.7	59.6	-166.6	-7.8	113.7	D333 Q413 V415 L419	D333-R417 IonicContact OD2-CZ 3.62Å; D333-R417 VanDerWaalsContact OD2-CZ 3.3Å; D333-R417 IonicContact OD2-NH1 2.85Å; D333-R417 PolarHBondContact OD2-NH1 2.91Å; D333-R417 IonicContact OD2-NH2 3.79Å; D333-R417 PolarHBondContact OD2-NH2 2.98Å; Q413-R417 WeakPolarHBondContact O-CB 3.43Å; Q413-R417 WeakPolarHBondContact O-CG 3.21Å; Q413-R417 PolarHBondContact O-N 2.84Å; V415-R417 VanDerWaalsContact C-N 3.31Å; V415-R417 PolarHBondContact O-N 3.12Å; R417-L419 VanDerWaalsContact C-N 3.31Å; R417-L419 HydrophobicContact CB-CD1 4.41Å; R417-L419 HydrophobicContact CB-CD2 4.19Å; R417-L419 HydrophobicContact CB-CG 3.92Å; R417-L419 PolarHBondContact O-N 2.82Å
418	G	98.2	Very high	97.7	Very high	37 Å²	37	37.2 Å²	37.2	38%	0.381	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	24.2	-179.1	0	0	0	0	0	114.9	V414 V415 Q420 Q494	V414-G418 PolarHBondContact O-N 3.2Å; V415-G418 PolarHBondContact O-N 3.21Å; G418-Q420 PolarHBondContact O-NE2 2.64Å; G418-Q494 PolarHBondContact O-NE2 2.8Å
419	L	98.5	Very high	97.4	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.105	18%	0.181	C	C	.	.			trans	-67.8	132.4	178	-51.9	176.8	0	0	0	109.5	D332 D333 F335 V414 R417 V422 Q494	D332-L419 HydrophobicContact CB-CB 4.24Å; D332-L419 HydrophobicContact CB-CD2 3.96Å; D333-L419 HydrophobicContact CB-CD1 4.07Å; F335-L419 HydrophobicContact CE2-CD1 4.09Å; F335-L419 HydrophobicContact CZ-CD1 3.88Å; V414-L419 HydrophobicContact CG1-CB 4.34Å; V414-L419 PolarHBondContact O-N 2.95Å; R417-L419 VanDerWaalsContact C-N 3.31Å; R417-L419 HydrophobicContact CB-CD1 4.41Å; R417-L419 HydrophobicContact CB-CD2 4.19Å; R417-L419 HydrophobicContact CB-CG 3.92Å; R417-L419 PolarHBondContact O-N 2.82Å; L419-V422 HydrophobicContact CB-CG1 3.76Å; L419-V422 HydrophobicContact CD1-CG1 3.67Å; L419-V422 HydrophobicContact CG-CG1 4.33Å; L419-Q494 VanDerWaalsContact O-CB 3.24Å; L419-Q494 WeakPolarHBondContact O-CB 3.5Å; L419-Q494 PolarHBondContact O-NE2 3.16Å
420	Q	98.3	Very high	97.2	Very high	112 Å²	112	36.7 Å²	36.7	52%	0.523	18%	0.179	S	C	.	.	S	Bend	trans	-83.9	-46.5	-176.1	-61.7	-55.2	-57.9	0	0	112	D332 G418 S493 Q494	D332-Q420 WeakPolarHBondContact OD2-CA 3.5Å; D332-Q420 WeakPolarHBondContact OD2-CB 3.25Å; D332-Q420 PolarHBondContact OD2-N 2.96Å; G418-Q420 PolarHBondContact O-NE2 2.64Å; Q420-S493 CarbonylContact O-C 3.58Å; Q420-S493 WeakPolarHBondContact O-CA 3.46Å; Q420-Q494 VanDerWaalsContact NE2-NE2 3.19Å; Q420-Q494 PolarHBondContact O-N 2.99Å
421	K	97.7	Very high	96.9	Very high	39 Å²	39	36.9 Å²	36.9	17%	0.17	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	132.7	175.3	61.4	-174.3	179.1	-173.2	0	111.4	G330 F331 D332 M443 D447 W453 L492	G330-K421 WeakPolarHBondContact O-CE 3.32Å; F331-K421 HydrophobicContact CD1-CB 4.34Å; F331-K421 HydrophobicContact CD1-CG 4.16Å; D332-K421 PolarHBondContact N-O 3.47Å; D332-K421 PolarHBondContact OD2-N 3.42Å; K421-M443 HydrophobicContact CD-CE 4.37Å; K421-D447 IonicContact NZ-OD1 3.67Å; K421-D447 PolarHBondContact NZ-OD1 3.33Å; K421-D447 IonicContact NZ-OD2 3.18Å; K421-D447 PolarHBondContact NZ-OD2 3.27Å; K421-W453 HydrophobicContact CB-CH2 4.09Å; K421-W453 HydrophobicContact CB-CZ2 4.07Å; K421-W453 HydrophobicContact CD-CZ2 4.42Å; K421-L492 WeakPolarHBondContact CA-O 3.39Å
422	V	98.8	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.3	-179.6	-56.9	0	0	0	0	110.9	D333 F335 V414 L419 V424 A491 L492	D333-V422 HydrophobicContact CB-CG1 4.22Å; D333-V422 WeakPolarHBondContact O-CA 3.47Å; F335-V422 HydrophobicContact CD2-CB 4.12Å; F335-V422 HydrophobicContact CD2-CG2 4.18Å; F335-V422 HydrophobicContact CE2-CB 3.97Å; F335-V422 HydrophobicContact CE2-CG1 3.9Å; F335-V422 HydrophobicContact CE2-CG2 4.13Å; V414-V422 HydrophobicContact CG2-CB 4.38Å; V414-V422 HydrophobicContact CG2-CG1 3.97Å; V414-V422 HydrophobicContact CG2-CG2 3.52Å; L419-V422 HydrophobicContact CB-CG1 3.76Å; L419-V422 HydrophobicContact CD1-CG1 3.67Å; L419-V422 HydrophobicContact CG-CG1 4.33Å; V422-V424 HydrophobicContact CG2-CG2 4.29Å; V422-A491 CarbonylContact O-C 3.58Å; V422-A491 VanDerWaalsContact O-CA 3.26Å; V422-A491 WeakPolarHBondContact O-CA 3.34Å; V422-L492 HydrophobicContact CG2-CB 4.04Å; V422-L492 PolarHBondContact N-O 3.07Å; V422-L492 PolarHBondContact O-N 2.77Å
423	L	98.8	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.8	169.4	179.8	65.3	0	0	0	109.1	M329 F331 D333 I334 F335 L425 F435 L439 V458	M329-L423 HydrophobicContact CE-CD2 3.7Å; F331-L423 HydrophobicContact CD1-CB 4.24Å; F331-L423 HydrophobicContact CD2-CB 4.01Å; F331-L423 HydrophobicContact CE1-CB 4.37Å; F331-L423 HydrophobicContact CE2-CB 4.17Å; F331-L423 HydrophobicContact CE2-CD2 4.4Å; F331-L423 HydrophobicContact CG-CB 4.06Å; F331-L423 HydrophobicContact CZ-CB 4.35Å; D333-L423 PolarHBondContact O-N 2.94Å; D333-L423 VanDerWaalsContact O-N 3.11Å; I334-L423 CarbonylContact C-O 3.5Å; I334-L423 WeakPolarHBondContact CA-O 3.29Å; I334-L423 HydrophobicContact CG1-CB 4.28Å; I334-L423 HydrophobicContact CG2-CB 4.3Å; I334-L423 HydrophobicContact CG2-CD2 4.18Å; I334-L423 HydrophobicContact CG2-CG 4.4Å; F335-L423 PolarHBondContact N-O 3.25Å; L423-L425 HydrophobicContact CD2-CD1 3.85Å; L423-L425 HydrophobicContact CG-CD1 3.74Å; L423-L425 HydrophobicContact CG-CG 4.39Å; L423-F435 HydrophobicContact CD2-CZ 4.23Å; L423-L439 HydrophobicContact CD1-CD2 4.39Å; L423-L439 HydrophobicContact CD2-CD2 4.06Å; L423-V458 HydrophobicContact CD1-CG2 3.93Å
424	V	98.7	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.8	176.9	-176.2	0	0	0	0	108.8	F335 I337 I410 V422 A489 Y490	F335-V424 HydrophobicContact CD2-CG2 4.46Å; I337-V424 HydrophobicContact CD1-CG1 3.74Å; I337-V424 HydrophobicContact CG1-CG1 4.25Å; I410-V424 HydrophobicContact CD1-CG1 3.81Å; I410-V424 HydrophobicContact CG2-CG2 3.86Å; V422-V424 HydrophobicContact CG2-CG2 4.29Å; V424-A489 CarbonylContact O-C 3.59Å; V424-A489 WeakPolarHBondContact O-CA 3.49Å; V424-A489 WeakPolarHBondContact O-CB 3.45Å; V424-Y490 HydrophobicContact CB-CD2 4.36Å; V424-Y490 HydrophobicContact CB-CE1 4.31Å; V424-Y490 HydrophobicContact CB-CE2 4.05Å; V424-Y490 HydrophobicContact CG1-CE1 4.29Å; V424-Y490 HydrophobicContact CG2-CD2 4.41Å; V424-Y490 HydrophobicContact CG2-CE2 3.88Å; V424-Y490 PolarHBondContact N-O 2.6Å; V424-Y490 PolarHBondContact O-N 2.9Å
425	L	98.3	Very high	95.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.6	175.5	-56.9	95	0	0	0	111.1	I334 F335 L336 I337 M349 M353 L423 V429 F431 A489 L547	I334-L425 HydrophobicContact CG2-CD1 3.33Å; F335-L425 PolarHBondContact O-N 3.12Å; L336-L425 WeakPolarHBondContact CA-O 3.31Å; L336-L425 HydrophobicContact CD1-CB 4.24Å; I337-L425 PolarHBondContact N-O 2.86Å; M349-L425 HydrophobicContact CE-CD2 4.48Å; M353-L425 HydrophobicContact CE-CD1 4.26Å; L423-L425 HydrophobicContact CD2-CD1 3.85Å; L423-L425 HydrophobicContact CG-CD1 3.74Å; L423-L425 HydrophobicContact CG-CG 4.39Å; L425-V429 HydrophobicContact CD2-CG2 4.37Å; L425-F431 HydrophobicContact CD2-CE1 3.96Å; L425-F431 HydrophobicContact CD2-CZ 3.72Å; L425-A489 HydrophobicContact CG-CB 4.16Å; L425-L547 HydrophobicContact CD2-CD1 3.82Å; L425-L547 HydrophobicContact CG-CD1 4.5Å
426	E	96.9	Very high	95.1	Very high	32 Å²	32	38.9 Å²	38.9	15%	0.15	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	166.4	163.4	-67.1	177.8	-173	0	0	111.2	H407 T487 L488	H407-E426 IonicContact CE1-OE1 3.45Å; H407-E426 IonicContact NE2-OE1 2.9Å; H407-E426 PolarHBondContact NE2-OE1 3.31Å; E426-T487 VanDerWaalsContact OE1-C 3.26Å; E426-T487 WeakPolarHBondContact OE1-CB 3.34Å; E426-T487 PolarHBondContact OE1-OG1 3.38Å; E426-L488 PolarHBondContact N-O 2.9Å
427	D	93.7	Very high	94.8	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.07	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.5	-171.2	68	11.1	0	0	0	115.9	L336 I337 N338 R345 R348 M349	L336-D427 HydrophobicContact CD1-CB 4.48Å; I337-D427 WeakPolarHBondContact O-CB 3.37Å; I337-D427 PolarHBondContact O-N 2.91Å; N338-D427 HydrophobicContact CB-CB 4.03Å; N338-D427 PolarHBondContact ND2-OD2 3.19Å; R345-D427 HydrophobicContact CB-CB 4Å; R345-D427 VanDerWaalsContact CD-CG 3.44Å; R345-D427 WeakPolarHBondContact CD-OD1 3.42Å; R345-D427 IonicContact CZ-OD1 2.81Å; R345-D427 IonicContact NE-OD1 2.8Å; R345-D427 IonicContact NH1-OD1 3.82Å; R345-D427 PolarHBondContact NH1-OD1 2.83Å; R348-D427 PolarHBondContact NH2-O 3.45Å; M349-D427 HydrophobicContact CG-CB 4.48Å; M349-D427 VanDerWaalsContact CG-O 3.28Å; M349-D427 WeakPolarHBondContact CG-O 3.47Å
428	D	90.4	Very high	94.6	Very high	34 Å²	34	37.5 Å²	37.5	18%	0.182	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	28.2	-176	56.9	8.5	0	0	0	113.8	R345 T550	R345-D428 IonicContact CZ-OD2 3.79Å; R345-D428 IonicContact NH1-OD2 2.78Å; R345-D428 PolarHBondContact NH1-OD2 2.94Å; R345-D428 IonicContact NH2-OD2 3.95Å; D428-T550 WeakPolarHBondContact O-CG2 3.42Å; D428-T550 PolarHBondContact O-N 3.27Å; D428-T550 PolarHBondContact O-OG1 3.2Å
429	V	92.9	Very high	94.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	155.6	174.9	-54.7	0	0	0	0	113.6	R348 M349 L425 F431 L488 L547 Y548	R348-V429 PolarHBondContact NH1-O 2.92Å; R348-V429 PolarHBondContact NH2-O 3.02Å; M349-V429 HydrophobicContact CE-CG2 3.56Å; M349-V429 HydrophobicContact SD-CG2 3.99Å; L425-V429 HydrophobicContact CD2-CG2 4.37Å; V429-F431 HydrophobicContact CG2-CE2 4.24Å; V429-F431 HydrophobicContact CG2-CZ 4.49Å; V429-L488 HydrophobicContact CG1-CB 3.74Å; V429-L488 HydrophobicContact CG1-CD2 4.3Å; V429-L488 WeakPolarHBondContact CG1-O 3.37Å; V429-L547 HydrophobicContact CB-CD2 4.42Å; V429-L547 HydrophobicContact CG2-CD2 4.18Å; V429-Y548 CarbonylContact C-O 3.57Å; V429-Y548 VanDerWaalsContact CA-O 3.29Å; V429-Y548 WeakPolarHBondContact CA-O 3.2Å
430	R	91.8	Very high	94.5	Very high	60 Å²	60	36.9 Å²	36.9	23%	0.226	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.9	165.8	67.4	175.4	-175.4	-170.4	-2.1	110.3	I309 L547 Y548 T550	I309-R430 HydrophobicContact CD1-CB 3.87Å; R430-L547 WeakPolarHBondContact O-CA 3.13Å; R430-L547 WeakPolarHBondContact O-CD2 3.42Å; R430-Y548 WeakPolarHBondContact CG-O 3.35Å; R430-Y548 PolarHBondContact N-O 3.48Å; R430-Y548 PolarHBondContact O-N 3.27Å; R430-Y548 VanDerWaalsContact O-N 3.15Å; R430-T550 HydrophobicContact CB-CG2 4.38Å
431	F	92.9	Very high	94.4	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.013	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.4	-172.1	-66.4	-104.2	0	0	0	112	H302 M349 T352 M353 M356 L358 L425 V429 F435 L547	H302-F431 PolarHBondContact CE1-O 3.36Å; H302-F431 VanDerWaalsContact CE1-O 3.28Å; H302-F431 PolarHBondContact ND1-O 3.26Å; M349-F431 HydrophobicContact CE-CE2 3.81Å; M349-F431 HydrophobicContact CE-CZ 3.97Å; M349-F431 HydrophobicContact SD-CE2 4.15Å; T352-F431 HydrophobicContact CG2-CD2 3.51Å; T352-F431 HydrophobicContact CG2-CE2 3.64Å; T352-F431 HydrophobicContact CG2-CG 4.49Å; M353-F431 HydrophobicContact CG-CE2 4.41Å; M353-F431 HydrophobicContact CG-CZ 3.96Å; M356-F431 HydrophobicContact CE-CB 4.26Å; M356-F431 HydrophobicContact CE-CD1 3.56Å; M356-F431 HydrophobicContact CE-CD2 3.74Å; M356-F431 HydrophobicContact CE-CE1 3.74Å; M356-F431 HydrophobicContact CE-CE2 3.89Å; M356-F431 HydrophobicContact CE-CG 3.58Å; M356-F431 HydrophobicContact CE-CZ 3.9Å; M356-F431 HydrophobicContact SD-CB 4.38Å; M356-F431 HydrophobicContact SD-CD1 3.9Å; M356-F431 HydrophobicContact SD-CE1 4.43Å; M356-F431 HydrophobicContact SD-CG 4.15Å; L358-F431 HydrophobicContact CD1-CE1 4.42Å; L425-F431 HydrophobicContact CD2-CE1 3.96Å; L425-F431 HydrophobicContact CD2-CZ 3.72Å; V429-F431 HydrophobicContact CG2-CE2 4.24Å; V429-F431 HydrophobicContact CG2-CZ 4.49Å; F431-F435 HydrophobicContact CB-CB 4.45Å; F431-F435 HydrophobicContact CD1-CB 4.26Å; F431-F435 AromaticContact CD1-CD1 3.66Å; F431-F435 HydrophobicContact CD1-CD1 3.66Å; F431-F435 AromaticContact CD1-CD2 3.85Å; F431-F435 HydrophobicContact CD1-CD2 3.85Å; F431-F435 AromaticContact CD1-CE1 3.92Å; F431-F435 HydrophobicContact CD1-CE1 3.92Å; F431-F435 HydrophobicContact CD1-CE2 4.14Å; F431-F435 AromaticContact CD1-CG 3.65Å; F431-F435 HydrophobicContact CD1-CG 3.65Å; F431-F435 HydrophobicContact CD1-CZ 4.17Å; F431-F435 HydrophobicContact CE1-CD1 4.01Å; F431-F435 HydrophobicContact CE1-CD2 4.5Å; F431-F435 AromaticContact CE1-CE1 3.81Å; F431-F435 HydrophobicContact CE1-CE1 3.81Å; F431-F435 HydrophobicContact CE1-CE2 4.36Å; F431-F435 HydrophobicContact CE1-CG 4.38Å; F431-F435 HydrophobicContact CE1-CZ 4.02Å; F431-L547 HydrophobicContact CB-CD2 4.18Å; F431-L547 HydrophobicContact CD1-CD2 3.37Å; F431-L547 HydrophobicContact CD2-CD2 4.11Å; F431-L547 HydrophobicContact CE1-CD2 3.65Å; F431-L547 HydrophobicContact CE2-CD2 4.35Å; F431-L547 HydrophobicContact CG-CD2 3.61Å; F431-L547 HydrophobicContact CZ-CD2 4.13Å
432	E	90.9	Very high	94.5	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.065	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-71	152.6	171.9	-78.9	-71	125.8	0	0	112.6	R187 R434 F435 L546 Y548	R187-E432 IonicContact CZ-OE1 3.91Å; R187-E432 IonicContact CZ-OE2 3.97Å; R187-E432 VanDerWaalsContact CZ-OE2 3.24Å; R187-E432 IonicContact NH1-OE2 3.61Å; R187-E432 IonicContact NH2-OE1 2.96Å; R187-E432 PolarHBondContact NH2-OE1 2.94Å; R187-E432 IonicContact NH2-OE2 3.75Å; R187-E432 PolarHBondContact NH2-OE2 3.29Å; E432-R434 PolarHBondContact O-N 2.69Å; E432-F435 VanDerWaalsContact O-CB 3.29Å; E432-F435 WeakPolarHBondContact O-CB 3.41Å; E432-F435 PolarHBondContact O-N 3.37Å; E432-F435 VanDerWaalsContact O-N 3.09Å; E432-L546 WeakPolarHBondContact CB-O 3.41Å; E432-L546 PolarHBondContact N-O 3.11Å; E432-Y548 HydrophobicContact CG-CD2 3.81Å; E432-Y548 HydrophobicContact CG-CE2 3.61Å
433	P	87.6	Confident	94.4	Very high	25 Å²	25	32.4 Å²	32.4	16%	0.162	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.6	174.3	-30.2	39.4	0	0	0	112.7	H302 F435	H302-P433 HydrophobicContact CB-CG 4.15Å; P433-F435 PolarHBondContact O-N 2.87Å
434	R	89	Confident	94.4	Very high	131 Å²	131	38.1 Å²	38.1	49%	0.494	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	25.2	-177.9	-50.7	-177.7	-76.9	178.2	-4.6	113.2	E298 E432 K436 R437 R438	E298-R434 HydrophobicContact CB-CG 4.43Å; E298-R434 WeakPolarHBondContact OE2-CG 3.28Å; E432-R434 PolarHBondContact O-N 2.69Å; R434-K436 VanDerWaalsContact C-N 3.27Å; R434-K436 PolarHBondContact O-N 2.73Å; R434-R437 PolarHBondContact O-N 3.34Å; R434-R438 HydrophobicContact CB-CG 4.2Å; R434-R438 WeakPolarHBondContact O-CB 3.44Å; R434-R438 VanDerWaalsContact O-CG 3.29Å; R434-R438 WeakPolarHBondContact O-CG 3.19Å; R434-R438 PolarHBondContact O-N 3Å
435	F	93.4	Very high	94.3	Very high	3 Å²	3	39 Å²	39	1%	0.013	18%	0.176	C	C	.	.	H	α-helix	trans	-39.9	-55.3	177.4	168.7	-99.1	0	0	0	112.5	M329 M356 L358 L423 F431 E432 P433 R438 L439 V458 L546 L547	M329-F435 HydrophobicContact CE-CE1 3.78Å; M329-F435 HydrophobicContact CE-CZ 4.32Å; M329-F435 HydrophobicContact SD-CD1 4.38Å; M329-F435 HydrophobicContact SD-CE1 3.86Å; M356-F435 HydrophobicContact SD-CD1 4.31Å; L358-F435 HydrophobicContact CD1-CD1 4.41Å; L358-F435 HydrophobicContact CD1-CE1 4.01Å; L423-F435 HydrophobicContact CD2-CZ 4.23Å; F431-F435 HydrophobicContact CB-CB 4.45Å; F431-F435 HydrophobicContact CD1-CB 4.26Å; F431-F435 AromaticContact CD1-CD1 3.66Å; F431-F435 HydrophobicContact CD1-CD1 3.66Å; F431-F435 AromaticContact CD1-CD2 3.85Å; F431-F435 HydrophobicContact CD1-CD2 3.85Å; F431-F435 AromaticContact CD1-CE1 3.92Å; F431-F435 HydrophobicContact CD1-CE1 3.92Å; F431-F435 HydrophobicContact CD1-CE2 4.14Å; F431-F435 AromaticContact CD1-CG 3.65Å; F431-F435 HydrophobicContact CD1-CG 3.65Å; F431-F435 HydrophobicContact CD1-CZ 4.17Å; F431-F435 HydrophobicContact CE1-CD1 4.01Å; F431-F435 HydrophobicContact CE1-CD2 4.5Å; F431-F435 AromaticContact CE1-CE1 3.81Å; F431-F435 HydrophobicContact CE1-CE1 3.81Å; F431-F435 HydrophobicContact CE1-CE2 4.36Å; F431-F435 HydrophobicContact CE1-CG 4.38Å; F431-F435 HydrophobicContact CE1-CZ 4.02Å; E432-F435 VanDerWaalsContact O-CB 3.29Å; E432-F435 WeakPolarHBondContact O-CB 3.41Å; E432-F435 PolarHBondContact O-N 3.37Å; E432-F435 VanDerWaalsContact O-N 3.09Å; P433-F435 PolarHBondContact O-N 2.87Å; F435-R438 PolarHBondContact O-N 2.7Å; F435-L439 HydrophobicContact CE1-CD2 4.35Å; F435-L439 HydrophobicContact CE2-CD2 4.23Å; F435-L439 HydrophobicContact CZ-CD2 3.74Å; F435-L439 WeakPolarHBondContact O-CB 3.44Å; F435-L439 PolarHBondContact O-N 3.45Å; F435-V458 HydrophobicContact CE2-CG1 3.84Å; F435-L546 HydrophobicContact CD2-CB 3.76Å; F435-L546 HydrophobicContact CD2-CD1 4.47Å; F435-L546 HydrophobicContact CE2-CB 4.03Å; F435-L547 HydrophobicContact CD2-CD2 4.19Å; F435-L547 HydrophobicContact CD2-CG 4.21Å; F435-L547 HydrophobicContact CE2-CD1 3.76Å; F435-L547 HydrophobicContact CE2-CD2 4.01Å; F435-L547 HydrophobicContact CE2-CG 3.75Å; F435-L547 HydrophobicContact CZ-CD1 4.21Å
436	K	93.1	Very high	94.3	Very high	65 Å²	65	39 Å²	39	28%	0.283	18%	0.177	S	C	.	.	H	α-helix	trans	-57.2	-56.2	-175.6	-160.8	179.7	70.8	163.8	0	112	D327 M329 R434 R438 L439 Q440	D327-K436 WeakPolarHBondContact OD2-CD 3.26Å; D327-K436 VanDerWaalsContact OD2-CE 3.3Å; D327-K436 WeakPolarHBondContact OD2-CE 3.06Å; D327-K436 IonicContact OD2-NZ 2.6Å; D327-K436 PolarHBondContact OD2-NZ 3.22Å; M329-K436 HydrophobicContact CG-CD 4.18Å; M329-K436 HydrophobicContact CG-CG 3.47Å; M329-K436 VanDerWaalsContact CG-CG 3.47Å; M329-K436 HydrophobicContact SD-CB 4.19Å; M329-K436 HydrophobicContact SD-CG 3.56Å; M329-K436 VanDerWaalsContact SD-CG 3.56Å; R434-K436 VanDerWaalsContact C-N 3.27Å; R434-K436 PolarHBondContact O-N 2.73Å; K436-R438 VanDerWaalsContact C-N 3.34Å; K436-R438 PolarHBondContact O-N 3Å; K436-L439 PolarHBondContact O-N 3.24Å; K436-Q440 WeakPolarHBondContact O-CB 3.37Å; K436-Q440 VanDerWaalsContact O-CG 3.29Å; K436-Q440 WeakPolarHBondContact O-CG 3.5Å; K436-Q440 PolarHBondContact O-N 3.05Å; K436-Q440 PolarHBondContact O-OE1 3.29Å
437	R	92.4	Very high	94.3	Very high	139 Å²	139	41.7 Å²	41.7	53%	0.525	19%	0.192	S	C	.	.	H	α-helix	trans	-63.4	-38.9	-178.6	-173.7	175.9	-179.3	175.8	1	112.3	D295 R434 A441	D295-R437 IonicContact OD1-NH1 2.79Å; R434-R437 PolarHBondContact O-N 3.34Å; R437-A441 WeakPolarHBondContact O-CB 3.27Å; R437-A441 PolarHBondContact O-N 3.16Å
438	R	95.3	Very high	94.5	Very high	60 Å²	60	48.5 Å²	48.5	23%	0.226	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-45.5	178.5	-70	176.7	68.3	-158.4	-9.6	111.3	R434 F435 K436 I442 P544 L546	R434-R438 HydrophobicContact CB-CG 4.2Å; R434-R438 WeakPolarHBondContact O-CB 3.44Å; R434-R438 VanDerWaalsContact O-CG 3.29Å; R434-R438 WeakPolarHBondContact O-CG 3.19Å; R434-R438 PolarHBondContact O-N 3Å; F435-R438 PolarHBondContact O-N 2.7Å; K436-R438 VanDerWaalsContact C-N 3.34Å; K436-R438 PolarHBondContact O-N 3Å; R438-I442 WeakPolarHBondContact O-CD1 3.25Å; R438-I442 VanDerWaalsContact O-CG1 3.28Å; R438-I442 WeakPolarHBondContact O-CG1 3.37Å; R438-I442 PolarHBondContact O-N 2.89Å; R438-I442 VanDerWaalsContact O-N 3.12Å; R438-P544 PolarHBondContact NH2-O 2.71Å; R438-L546 HydrophobicContact CB-CD1 4.24Å; R438-L546 HydrophobicContact CB-CD2 3.83Å; R438-L546 VanDerWaalsContact NH2-CD2 3.25Å
439	L	97.4	Very high	94.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-44	178.2	-174.9	56.9	0	0	0	111.3	M329 F331 L423 F435 K436 A441 I442 M443 V458 L546	M329-L439 HydrophobicContact CE-CD2 4.03Å; M329-L439 HydrophobicContact SD-CB 4.5Å; M329-L439 HydrophobicContact SD-CD2 4.15Å; F331-L439 HydrophobicContact CE2-CD2 3.81Å; F331-L439 HydrophobicContact CE2-CG 4.21Å; F331-L439 HydrophobicContact CZ-CD2 4.16Å; F331-L439 HydrophobicContact CZ-CG 4.37Å; L423-L439 HydrophobicContact CD1-CD2 4.39Å; L423-L439 HydrophobicContact CD2-CD2 4.06Å; F435-L439 HydrophobicContact CE1-CD2 4.35Å; F435-L439 HydrophobicContact CE2-CD2 4.23Å; F435-L439 HydrophobicContact CZ-CD2 3.74Å; F435-L439 WeakPolarHBondContact O-CB 3.44Å; F435-L439 PolarHBondContact O-N 3.45Å; K436-L439 PolarHBondContact O-N 3.24Å; L439-A441 PolarHBondContact O-N 2.96Å; L439-I442 PolarHBondContact O-N 3.46Å; L439-M443 HydrophobicContact CD1-CG 4.26Å; L439-M443 HydrophobicContact CG-CG 4.45Å; L439-M443 WeakPolarHBondContact O-CG 3.35Å; L439-M443 PolarHBondContact O-N 2.86Å; L439-V458 HydrophobicContact CD1-CG2 4.19Å; L439-L546 HydrophobicContact CB-CD1 3.8Å; L439-L546 HydrophobicContact CD1-CD1 4.22Å
440	Q	96.6	Very high	95	Very high	45 Å²	45	57.5 Å²	57.5	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-56.6	-49.1	175.3	-76	172.2	-50.8	0	0	111.7	M329 K436 I442 M443 E444	M329-Q440 HydrophobicContact CB-CG 3.67Å; M329-Q440 HydrophobicContact CG-CG 3.97Å; K436-Q440 WeakPolarHBondContact O-CB 3.37Å; K436-Q440 VanDerWaalsContact O-CG 3.29Å; K436-Q440 WeakPolarHBondContact O-CG 3.5Å; K436-Q440 PolarHBondContact O-N 3.05Å; K436-Q440 PolarHBondContact O-OE1 3.29Å; Q440-I442 VanDerWaalsContact C-N 3.32Å; Q440-I442 PolarHBondContact O-N 3.32Å; Q440-M443 PolarHBondContact O-N 3.43Å; Q440-M443 VanDerWaalsContact O-N 3.15Å; Q440-E444 WeakPolarHBondContact O-CB 3.48Å; Q440-E444 WeakPolarHBondContact O-CG 3.33Å; Q440-E444 PolarHBondContact O-N 3.31Å
441	A	97	Very high	95.3	Very high	43 Å²	43	56.5 Å²	56.5	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-41.1	178.5	0	0	0	0	0	112.6	R437 L439 E444 D445	R437-A441 WeakPolarHBondContact O-CB 3.27Å; R437-A441 PolarHBondContact O-N 3.16Å; L439-A441 PolarHBondContact O-N 2.96Å; A441-E444 PolarHBondContact O-N 3.32Å; A441-D445 WeakPolarHBondContact O-CB 3.45Å; A441-D445 PolarHBondContact O-N 2.98Å
442	I	98.2	Very high	95.5	Very high	8 Å²	8	60 Å²	60	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-45.1	175.9	-66.5	165.2	0	0	0	110.4	R438 L439 Q440 E444 D445 V446 V475 N477 L478 V542 L546	R438-I442 WeakPolarHBondContact O-CD1 3.25Å; R438-I442 VanDerWaalsContact O-CG1 3.28Å; R438-I442 WeakPolarHBondContact O-CG1 3.37Å; R438-I442 PolarHBondContact O-N 2.89Å; R438-I442 VanDerWaalsContact O-N 3.12Å; L439-I442 PolarHBondContact O-N 3.46Å; Q440-I442 VanDerWaalsContact C-N 3.32Å; Q440-I442 PolarHBondContact O-N 3.32Å; I442-E444 PolarHBondContact O-N 3.39Å; I442-D445 PolarHBondContact O-N 3.38Å; I442-V446 HydrophobicContact CG2-CG2 4.49Å; I442-V446 VanDerWaalsContact O-CG2 3.31Å; I442-V446 WeakPolarHBondContact O-CG2 3.43Å; I442-V446 PolarHBondContact O-N 2.98Å; I442-V475 HydrophobicContact CG2-CG1 4.43Å; I442-N477 HydrophobicContact CD1-CB 4.02Å; I442-N477 HydrophobicContact CG1-CB 4.17Å; I442-L478 HydrophobicContact CG2-CD1 4.16Å; I442-V542 HydrophobicContact CD1-CB 3.98Å; I442-V542 HydrophobicContact CD1-CG1 3.83Å; I442-V542 HydrophobicContact CG2-CG1 4.36Å; I442-L546 HydrophobicContact CD1-CD1 4.38Å
443	M	98.1	Very high	95.9	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-34.7	179.9	-65	-51.5	-59.1	0	0	112.6	F331 K421 L439 Q440 V446 D447 W453 I456	F331-M443 HydrophobicContact CE1-CE 4.28Å; F331-M443 HydrophobicContact CZ-CE 4.48Å; F331-M443 HydrophobicContact CZ-CG 3.9Å; F331-M443 HydrophobicContact CZ-SD 4.18Å; K421-M443 HydrophobicContact CD-CE 4.37Å; L439-M443 HydrophobicContact CD1-CG 4.26Å; L439-M443 HydrophobicContact CG-CG 4.45Å; L439-M443 WeakPolarHBondContact O-CG 3.35Å; L439-M443 PolarHBondContact O-N 2.86Å; Q440-M443 PolarHBondContact O-N 3.43Å; Q440-M443 VanDerWaalsContact O-N 3.15Å; M443-V446 WeakPolarHBondContact O-CB 3.18Å; M443-V446 PolarHBondContact O-N 3.11Å; M443-D447 VanDerWaalsContact O-CG 3.29Å; M443-D447 PolarHBondContact O-N 3.46Å; M443-W453 HydrophobicContact CE-CH2 4.23Å; M443-W453 HydrophobicContact CE-CZ2 3.62Å; M443-I456 HydrophobicContact CE-CD1 4.37Å; M443-I456 HydrophobicContact SD-CD1 4.05Å
444	E	97.2	Very high	96.4	Very high	120 Å²	120	59.1 Å²	59.1	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-65.4	-40.3	172.4	-73.8	170.2	-170.8	0	0	111.8	Q440 A441 I442 D447 R448	Q440-E444 WeakPolarHBondContact O-CB 3.48Å; Q440-E444 WeakPolarHBondContact O-CG 3.33Å; Q440-E444 PolarHBondContact O-N 3.31Å; A441-E444 PolarHBondContact O-N 3.32Å; I442-E444 PolarHBondContact O-N 3.39Å; E444-D447 PolarHBondContact O-N 2.98Å; E444-R448 VanDerWaalsContact O-CB 3.3Å; E444-R448 WeakPolarHBondContact O-CB 3.47Å; E444-R448 PolarHBondContact O-N 3.18Å
445	D	97.7	Very high	96.9	Very high	18 Å²	18	52.9 Å²	52.9	10%	0.096	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-42.1	174.2	-78	8.6	0	0	0	111.3	A441 I442 R448 A449 V475 N476	A441-D445 WeakPolarHBondContact O-CB 3.45Å; A441-D445 PolarHBondContact O-N 2.98Å; I442-D445 PolarHBondContact O-N 3.38Å; D445-R448 PolarHBondContact O-N 3.17Å; D445-R448 IonicContact OD1-CZ 2.73Å; D445-R448 IonicContact OD1-NH1 3.71Å; D445-R448 PolarHBondContact OD1-NH1 3.44Å; D445-R448 IonicContact OD1-NH2 3.93Å; D445-R448 PolarHBondContact OD1-NH2 3.45Å; D445-R448 IonicContact OD2-NH2 3.88Å; D445-A449 VanDerWaalsContact O-CB 3.29Å; D445-A449 WeakPolarHBondContact O-CB 3.33Å; D445-A449 PolarHBondContact O-N 2.98Å; D445-V475 HydrophobicContact CB-CB 4.38Å; D445-V475 HydrophobicContact CB-CG1 3.78Å; D445-N476 PolarHBondContact OD2-N 2.78Å; D445-N476 PolarHBondContact OD2-ND2 3.01Å
446	V	98.1	Very high	97.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-49	173.5	163.7	0	0	0	0	111.2	I442 M443 R448 A449 Q450 L451 W453 I456 V475 L478	I442-V446 HydrophobicContact CG2-CG2 4.49Å; I442-V446 VanDerWaalsContact O-CG2 3.31Å; I442-V446 WeakPolarHBondContact O-CG2 3.43Å; I442-V446 PolarHBondContact O-N 2.98Å; M443-V446 WeakPolarHBondContact O-CB 3.18Å; M443-V446 PolarHBondContact O-N 3.11Å; V446-R448 PolarHBondContact O-N 3.1Å; V446-A449 PolarHBondContact O-N 2.95Å; V446-Q450 PolarHBondContact O-N 2.6Å; V446-Q450 VanDerWaalsContact O-N 3.14Å; V446-L451 HydrophobicContact CG1-CB 4.28Å; V446-L451 HydrophobicContact CG2-CD2 4.25Å; V446-L451 PolarHBondContact O-N 3.36Å; V446-L451 VanDerWaalsContact O-N 3.15Å; V446-W453 HydrophobicContact CG1-CG 4.36Å; V446-I456 HydrophobicContact CG2-CD1 4.22Å; V446-V475 HydrophobicContact CG2-CG1 3.82Å; V446-V475 HydrophobicContact CG2-CG2 4.37Å; V446-L478 HydrophobicContact CG2-CD2 3.95Å
447	D	96.6	Very high	97.4	Very high	87 Å²	87	49.8 Å²	49.8	47%	0.465	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-41	179.3	-71.3	-19.7	0	0	0	110.6	K421 M443 E444 Q450	K421-D447 IonicContact NZ-OD1 3.67Å; K421-D447 PolarHBondContact NZ-OD1 3.33Å; K421-D447 IonicContact NZ-OD2 3.18Å; K421-D447 PolarHBondContact NZ-OD2 3.27Å; M443-D447 VanDerWaalsContact O-CG 3.29Å; M443-D447 PolarHBondContact O-N 3.46Å; E444-D447 PolarHBondContact O-N 2.98Å; D447-Q450 PolarHBondContact O-N 2.82Å
448	R	97.4	Very high	97.7	Very high	156 Å²	156	43.1 Å²	43.1	59%	0.589	21%	0.214	S	C	*	.	H	α-helix	trans	-68.1	-39.1	178.5	-175.1	175.7	66.3	-109	1.8	113.2	E444 D445 V446 Q450	E444-R448 VanDerWaalsContact O-CB 3.3Å; E444-R448 WeakPolarHBondContact O-CB 3.47Å; E444-R448 PolarHBondContact O-N 3.18Å; D445-R448 PolarHBondContact O-N 3.17Å; D445-R448 IonicContact OD1-CZ 2.73Å; D445-R448 IonicContact OD1-NH1 3.71Å; D445-R448 PolarHBondContact OD1-NH1 3.44Å; D445-R448 IonicContact OD1-NH2 3.93Å; D445-R448 PolarHBondContact OD1-NH2 3.45Å; D445-R448 IonicContact OD2-NH2 3.88Å; V446-R448 PolarHBondContact O-N 3.1Å; R448-Q450 PolarHBondContact O-N 3.3Å
449	A	97.3	Very high	97.7	Very high	45 Å²	45	40.3 Å²	40.3	37%	0.372	20%	0.203	S	C	.	.	H	α-helix	trans	-74.2	-8.7	175.6	0	0	0	0	0	112.6	D445 V446 L451 V475	D445-A449 VanDerWaalsContact O-CB 3.29Å; D445-A449 WeakPolarHBondContact O-CB 3.33Å; D445-A449 PolarHBondContact O-N 2.98Å; V446-A449 PolarHBondContact O-N 2.95Å; A449-L451 PolarHBondContact O-N 3.49Å; A449-V475 HydrophobicContact CB-CG2 3.67Å
450	Q	96.9	Very high	97.6	Very high	178 Å²	178	40.7 Å²	40.7	83%	0.832	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.2	-172	-53.8	-170.9	-60.8	0	0	111.7	V446 D447 R448 D452	V446-Q450 PolarHBondContact O-N 2.6Å; V446-Q450 VanDerWaalsContact O-N 3.14Å; D447-Q450 PolarHBondContact O-N 2.82Å; R448-Q450 PolarHBondContact O-N 3.3Å; Q450-D452 PolarHBondContact O-N 2.73Å
451	L	98	Very high	97.4	Very high	40 Å²	40	39.9 Å²	39.9	21%	0.209	20%	0.2	C	C	.	.			trans	-65.8	126.6	-178.4	-179.6	70.5	0	0	0	109.1	V446 A449 W453 V472 V475 L478 F540	V446-L451 HydrophobicContact CG1-CB 4.28Å; V446-L451 HydrophobicContact CG2-CD2 4.25Å; V446-L451 PolarHBondContact O-N 3.36Å; V446-L451 VanDerWaalsContact O-N 3.15Å; A449-L451 PolarHBondContact O-N 3.49Å; L451-W453 PolarHBondContact O-N 2.86Å; L451-V472 HydrophobicContact CD1-CG1 3.88Å; L451-V472 HydrophobicContact CD2-CG1 3.97Å; L451-V475 HydrophobicContact CD2-CG2 4.47Å; L451-L478 HydrophobicContact CD2-CD2 3.52Å; L451-F540 HydrophobicContact CD1-CE1 4.38Å; L451-F540 HydrophobicContact CD1-CE2 4.44Å; L451-F540 HydrophobicContact CD1-CZ 3.87Å; L451-F540 HydrophobicContact CD2-CD2 4.25Å; L451-F540 HydrophobicContact CD2-CE1 4.28Å; L451-F540 HydrophobicContact CD2-CE2 3.97Å; L451-F540 HydrophobicContact CD2-CZ 3.99Å; L451-F540 HydrophobicContact CG-CE2 4.22Å; L451-F540 HydrophobicContact CG-CZ 4.14Å
452	D	97.4	Very high	97	Very high	76 Å²	76	40.5 Å²	40.5	41%	0.406	19%	0.193	S	C	.	.			trans	-81.8	111.6	173.4	-171.5	8.1	0	0	0	109.6	Q450 Q495 K538	Q450-D452 PolarHBondContact O-N 2.73Å; D452-Q495 PolarHBondContact OD1-OE1 3.14Å; D452-K538 HydrophobicContact CB-CD 4.27Å; D452-K538 VanDerWaalsContact CG-NZ 3.32Å; D452-K538 VanDerWaalsContact O-CD 3.27Å; D452-K538 WeakPolarHBondContact O-CD 3.38Å; D452-K538 IonicContact OD2-NZ 2.59Å; D452-K538 PolarHBondContact OD2-NZ 2.87Å
453	W	98.5	Very high	96.4	Very high	21 Å²	21	42.1 Å²	42.1	8%	0.08	20%	0.201	C	C	.	.			trans	-136	146.4	-173.9	70.7	-87.3	0	0	0	112.5	K421 M443 V446 L451 I456 A491 S493 F540	K421-W453 HydrophobicContact CB-CH2 4.09Å; K421-W453 HydrophobicContact CB-CZ2 4.07Å; K421-W453 HydrophobicContact CD-CZ2 4.42Å; M443-W453 HydrophobicContact CE-CH2 4.23Å; M443-W453 HydrophobicContact CE-CZ2 3.62Å; V446-W453 HydrophobicContact CG1-CG 4.36Å; L451-W453 PolarHBondContact O-N 2.86Å; W453-I456 HydrophobicContact CD2-CD1 3.79Å; W453-I456 HydrophobicContact CD2-CG1 3.98Å; W453-I456 HydrophobicContact CE3-CD1 3.9Å; W453-I456 HydrophobicContact CE3-CG1 3.62Å; W453-I456 HydrophobicContact CG-CD1 4.09Å; W453-I456 HydrophobicContact CG-CG1 4.38Å; W453-I456 HydrophobicContact CZ3-CD1 4.38Å; W453-I456 HydrophobicContact CZ3-CG1 4.14Å; W453-A491 HydrophobicContact CH2-CB 4.02Å; W453-A491 HydrophobicContact CZ3-CB 4.05Å; W453-S493 PolarHBondContact O-OG 3.27Å; W453-S493 VanDerWaalsContact O-OG 3.12Å; W453-F540 HydrophobicContact CB-CD2 3.75Å; W453-F540 HydrophobicContact CB-CE2 3.66Å
454	D	98.8	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-108.9	-41.2	175.9	-69.6	-58.6	0	0	0	112.1	S493 Q495 G496 K499 L537 K538	D454-S493 WeakPolarHBondContact CA-OG 3.42Å; D454-S493 PolarHBondContact O-N 3.34Å; D454-Q495 WeakPolarHBondContact OD1-CG 3.33Å; D454-G496 WeakPolarHBondContact OD1-CA 3.27Å; D454-G496 PolarHBondContact OD1-N 3.24Å; D454-G496 VanDerWaalsContact OD1-N 3.11Å; D454-K499 IonicContact OD1-NZ 3.21Å; D454-K499 IonicContact OD2-NZ 3.51Å; D454-K499 PolarHBondContact OD2-NZ 3.13Å; D454-L537 HydrophobicContact CB-CD1 3.52Å; D454-L537 HydrophobicContact CB-CG 3.82Å; D454-K538 HydrophobicContact CB-CB 4.42Å; D454-K538 PolarHBondContact N-O 2.68Å; D454-K538 PolarHBondContact OD2-N 3.17Å
455	L	98.8	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.1	-177.1	-176.2	147.8	0	0	0	110.7	Y457 Y490 A491 L492 L516 L537 K538 A539 F540	L455-Y457 HydrophobicContact CD2-CD1 4.19Å; L455-Y457 HydrophobicContact CD2-CD2 3.61Å; L455-Y457 HydrophobicContact CD2-CE1 4.11Å; L455-Y457 HydrophobicContact CD2-CE2 3.53Å; L455-Y457 HydrophobicContact CD2-CG 3.95Å; L455-Y490 HydrophobicContact CD1-CD2 3.98Å; L455-Y490 HydrophobicContact CD1-CE2 4.36Å; L455-Y490 HydrophobicContact CD1-CG 4.26Å; L455-Y490 HydrophobicContact CG-CD2 4.2Å; L455-Y490 HydrophobicContact CG-CG 4.41Å; L455-A491 WeakPolarHBondContact CA-O 3.36Å; L455-L492 HydrophobicContact CD1-CD1 4.49Å; L455-L516 HydrophobicContact CD1-CD1 4.17Å; L455-L516 HydrophobicContact CD1-CD2 3.93Å; L455-L537 HydrophobicContact CB-CD2 4.27Å; L455-L537 HydrophobicContact CD1-CD2 4.44Å; L455-K538 PolarHBondContact N-O 3.44Å; L455-K538 VanDerWaalsContact N-O 3.12Å; L455-A539 HydrophobicContact CD2-CB 4.33Å; L455-A539 CarbonylContact O-C 3.58Å; L455-A539 VanDerWaalsContact O-CA 3.32Å; L455-A539 WeakPolarHBondContact O-CA 3.26Å; L455-F540 PolarHBondContact O-N 3.46Å
456	I	98.8	Very high	93.4	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	113	171.7	-54.7	177	0	0	0	108.8	M443 V446 W453 V458 L478 Y490 A491 F540 V542	M443-I456 HydrophobicContact CE-CD1 4.37Å; M443-I456 HydrophobicContact SD-CD1 4.05Å; V446-I456 HydrophobicContact CG2-CD1 4.22Å; W453-I456 HydrophobicContact CD2-CD1 3.79Å; W453-I456 HydrophobicContact CD2-CG1 3.98Å; W453-I456 HydrophobicContact CE3-CD1 3.9Å; W453-I456 HydrophobicContact CE3-CG1 3.62Å; W453-I456 HydrophobicContact CG-CD1 4.09Å; W453-I456 HydrophobicContact CG-CG1 4.38Å; W453-I456 HydrophobicContact CZ3-CD1 4.38Å; W453-I456 HydrophobicContact CZ3-CG1 4.14Å; I456-V458 PolarHBondContact O-N 2.77Å; I456-L478 HydrophobicContact CD1-CD1 4.46Å; I456-L478 HydrophobicContact CG2-CD1 3.69Å; I456-Y490 CarbonylContact O-C 3.03Å; I456-Y490 WeakPolarHBondContact O-CA 3.48Å; I456-Y490 WeakPolarHBondContact O-CB 3.34Å; I456-A491 HydrophobicContact CB-CB 4.25Å; I456-A491 PolarHBondContact N-O 3.47Å; I456-A491 PolarHBondContact O-N 3.04Å; I456-F540 CarbonylContact C-O 3.46Å; I456-F540 WeakPolarHBondContact CA-O 2.95Å; I456-F540 HydrophobicContact CG1-CB 4.24Å; I456-V542 HydrophobicContact CG2-CG1 3.97Å
457	Y	98.7	Very high	92.5	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	131.4	172.3	-73.5	-72.3	0	0	0	111	L455 R460 A481 L516 F520 F540 S541 V542	L455-Y457 HydrophobicContact CD2-CD1 4.19Å; L455-Y457 HydrophobicContact CD2-CD2 3.61Å; L455-Y457 HydrophobicContact CD2-CE1 4.11Å; L455-Y457 HydrophobicContact CD2-CE2 3.53Å; L455-Y457 HydrophobicContact CD2-CG 3.95Å; Y457-R460 HydrophobicContact CD1-CB 3.87Å; Y457-R460 HydrophobicContact CD1-CG 4.38Å; Y457-R460 HydrophobicContact CE1-CB 4.42Å; Y457-R460 HydrophobicContact CG-CB 4.13Å; Y457-R460 HydrophobicContact CG-CG 4.12Å; Y457-A481 HydrophobicContact CD2-CB 4.07Å; Y457-A481 HydrophobicContact CE2-CB 4.32Å; Y457-L516 WeakPolarHBondContact OH-CB 3.27Å; Y457-F520 HydrophobicContact CE2-CE1 4Å; Y457-F520 AromaticContact CE2-CZ 4Å; Y457-F520 HydrophobicContact CE2-CZ 4Å; Y457-F540 PolarHBondContact N-O 3.38Å; Y457-S541 WeakPolarHBondContact O-CA 3.35Å; Y457-V542 PolarHBondContact O-N 2.87Å
458	V	98.1	Very high	92	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-32.8	175.5	-175.7	0	0	0	0	110.5	L423 F435 L439 I456 A489 L546 L547	L423-V458 HydrophobicContact CD1-CG2 3.93Å; F435-V458 HydrophobicContact CE2-CG1 3.84Å; L439-V458 HydrophobicContact CD1-CG2 4.19Å; I456-V458 PolarHBondContact O-N 2.77Å; V458-A489 HydrophobicContact CB-CB 4.09Å; V458-A489 PolarHBondContact N-O 3.24Å; V458-L546 HydrophobicContact CG1-CB 3.84Å; V458-L546 HydrophobicContact CG1-CD1 4.35Å; V458-L546 PolarHBondContact O-N 3.41Å; V458-L547 HydrophobicContact CB-CD1 4.36Å; V458-L547 HydrophobicContact CG1-CD1 3.74Å; V458-L547 HydrophobicContact CG1-CG 4.09Å; V458-L547 PolarHBondContact O-N 2.85Å
459	G	96.7	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	129.3	168	0	0	0	0	0	109.9	A489 L547	G459-A489 PolarHBondContact N-O 3.29Å; G459-A489 PolarHBondContact O-N 3.27Å; G459-L547 VanDerWaalsContact CA-O 3.25Å; G459-L547 WeakPolarHBondContact CA-O 3.41Å
460	R	94.6	Very high	91.5	Very high	9 Å²	9	53.2 Å²	53.2	3%	0.034	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	172.9	177.5	60.2	162.1	174.9	133.7	10.7	110.6	Y457 E469 S484 S541 L545	Y457-R460 HydrophobicContact CD1-CB 3.87Å; Y457-R460 HydrophobicContact CD1-CG 4.38Å; Y457-R460 HydrophobicContact CE1-CB 4.42Å; Y457-R460 HydrophobicContact CG-CB 4.13Å; Y457-R460 HydrophobicContact CG-CG 4.12Å; R460-E469 IonicContact CZ-OE1 2.86Å; R460-E469 VanDerWaalsContact CZ-OE1 3.31Å; R460-E469 IonicContact CZ-OE2 3.3Å; R460-E469 IonicContact NH1-OE1 2.9Å; R460-E469 PolarHBondContact NH1-OE1 2.77Å; R460-E469 IonicContact NH1-OE2 3.94Å; R460-E469 IonicContact NH2-OE1 2.83Å; R460-E469 PolarHBondContact NH2-OE1 2.93Å; R460-E469 IonicContact NH2-OE2 3.23Å; R460-E469 PolarHBondContact NH2-OE2 3.11Å; R460-S484 WeakPolarHBondContact CD-OG 3.35Å; R460-S484 PolarHBondContact NH1-OG 2.81Å; R460-S541 PolarHBondContact NE-OG 2.89Å; R460-S541 VanDerWaalsContact NH2-CB 3.32Å; R460-S541 PolarHBondContact NH2-OG 3.43Å; R460-L545 HydrophobicContact CG-CD2 3.98Å; R460-L545 WeakPolarHBondContact O-CD1 3.44Å
461	K	91.6	Very high	91.5	Very high	28 Å²	28	49.5 Å²	49.5	12%	0.122	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.5	164	-175.5	178.7	-176.2	178.9	0	110.5	M463 S484 Y485 W486	K461-M463 HydrophobicContact CD-SD 3.85Å; K461-M463 HydrophobicContact CG-SD 3.91Å; K461-M463 PolarHBondContact O-N 2.63Å; K461-S484 CarbonylContact O-C 3.56Å; K461-S484 WeakPolarHBondContact O-CA 3.19Å; K461-Y485 WeakPolarHBondContact CA-O 3.28Å; K461-Y485 WeakPolarHBondContact CB-O 3.39Å; K461-Y485 PolarHBondContact N-O 3.08Å; K461-Y485 PolarHBondContact O-N 3.4Å; K461-W486 HydrophobicContact CB-CB 4.43Å; K461-W486 HydrophobicContact CB-CD2 3.59Å; K461-W486 HydrophobicContact CB-CE3 3.49Å; K461-W486 VanDerWaalsContact CB-CE3 3.49Å; K461-W486 HydrophobicContact CB-CG 4.01Å; K461-W486 HydrophobicContact CB-CZ3 3.95Å; K461-W486 HydrophobicContact CD-CD2 4.07Å; K461-W486 HydrophobicContact CD-CE3 4.27Å; K461-W486 HydrophobicContact CD-CH2 3.92Å; K461-W486 HydrophobicContact CD-CZ2 3.74Å; K461-W486 HydrophobicContact CD-CZ3 4.17Å; K461-W486 HydrophobicContact CG-CD2 4.44Å; K461-W486 HydrophobicContact CG-CE3 4.31Å; K461-W486 HydrophobicContact CG-CZ3 4.32Å
462	R	89.3	Confident	91.5	Very high	55 Å²	55	48.4 Å²	48.4	21%	0.208	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.7	171.8	-172.3	172.9	-175.3	-145.1	-13.5	110.6	Q464 Q467 E469	R462-Q464 WeakPolarHBondContact CG-O 3.31Å; R462-Q464 PolarHBondContact NE-O 3.5Å; R462-Q464 PolarHBondContact NH2-O 3.31Å; R462-Q467 PolarHBondContact NH2-O 3.21Å; R462-E469 IonicContact CZ-OE2 2.71Å; R462-E469 IonicContact NE-OE1 2.84Å; R462-E469 PolarHBondContact NE-OE1 2.97Å; R462-E469 IonicContact NE-OE2 3.86Å; R462-E469 PolarHBondContact NE-OE2 2.6Å; R462-E469 VanDerWaalsContact NH2-N 3.12Å
463	M	86	Confident	91.3	Very high	43 Å²	43	53.8 Å²	53.8	21%	0.212	27%	0.273	C	S	.	.	S	Bend	trans	-92.3	-27.6	-176.5	-69.1	-51.3	-58.1	0	0	113.8	Y391 K461 Y483 Y485	Y391-M463 WeakPolarHBondContact OH-CE 3.36Å; K461-M463 HydrophobicContact CD-SD 3.85Å; K461-M463 HydrophobicContact CG-SD 3.91Å; K461-M463 PolarHBondContact O-N 2.63Å; M463-Y483 HydrophobicContact CB-CD1 3.43Å; M463-Y483 VanDerWaalsContact CB-CD1 3.43Å; M463-Y483 HydrophobicContact CB-CE1 3.88Å; M463-Y483 HydrophobicContact CB-CG 4.24Å; M463-Y483 WeakPolarHBondContact CB-O 3.2Å; M463-Y483 HydrophobicContact CG-CD1 3.94Å; M463-Y483 HydrophobicContact CG-CE1 3.97Å; M463-Y483 PolarHBondContact N-O 3.19Å; M463-Y483 VanDerWaalsContact N-O 3.13Å; M463-Y485 HydrophobicContact CE-CD2 3.91Å; M463-Y485 HydrophobicContact CE-CE2 3.94Å; M463-Y485 HydrophobicContact CG-CD2 3.57Å; M463-Y485 HydrophobicContact CG-CE2 4.04Å; M463-Y485 HydrophobicContact CG-CG 4.09Å; M463-Y485 HydrophobicContact SD-CD2 3.3Å; M463-Y485 WeakPolarHBondContact SD-CD2 3.47Å; M463-Y485 HydrophobicContact SD-CE2 3.94Å; M463-Y485 HydrophobicContact SD-CG 4.17Å
464	Q	78.4	Confident	91	Very high	63 Å²	63	55.3 Å²	55.3	29%	0.294	30%	0.295	S	S	.	.			trans	-99.1	108.5	172	173.5	58	-1.9	0	0	110.3	R462	R462-Q464 WeakPolarHBondContact CG-O 3.31Å; R462-Q464 PolarHBondContact NE-O 3.5Å; R462-Q464 PolarHBondContact NH2-O 3.31Å
465	V	75.4	Confident	90.9	Very high	65 Å²	65	55.6 Å²	55.6	39%	0.394	30%	0.297	S	S	.	.			trans	-112.1	-3.5	-177.1	-62.4	0	0	0	0	114.1
466	Q	75.1	Confident	90.8	Very high	160 Å²	160	60.6 Å²	60.6	75%	0.748	32%	0.324	S	S	*	.	S	Bend	trans	-78.6	-26.5	-174.3	-60.5	-179.1	-0.3	0	0	113.5
467	Q	80.3	Confident	90.7	Very high	124 Å²	124	64.8 Å²	64.8	58%	0.579	35%	0.346	S	S	*	.	S	Bend	trans	-124.5	145.5	179.2	-62.5	-61.8	-22.8	0	0	108.1	R462	R462-Q467 PolarHBondContact NH2-O 3.21Å
468	P	85	Confident	90.6	Very high	102 Å²	102	64.9 Å²	64.9	66%	0.662	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-65.6	148.7	169.7	28.4	-33	0	0	0	110.8
469	E	91.6	Very high	90.6	Very high	17 Å²	17	65.2 Å²	65.2	8%	0.079	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-74.2	155.6	168.5	-87.9	153.5	169.7	0	0	109.6	R460 R462 S471 V479 E480 D482	R460-E469 IonicContact CZ-OE1 2.86Å; R460-E469 VanDerWaalsContact CZ-OE1 3.31Å; R460-E469 IonicContact CZ-OE2 3.3Å; R460-E469 IonicContact NH1-OE1 2.9Å; R460-E469 PolarHBondContact NH1-OE1 2.77Å; R460-E469 IonicContact NH1-OE2 3.94Å; R460-E469 IonicContact NH2-OE1 2.83Å; R460-E469 PolarHBondContact NH2-OE1 2.93Å; R460-E469 IonicContact NH2-OE2 3.23Å; R460-E469 PolarHBondContact NH2-OE2 3.11Å; R462-E469 IonicContact CZ-OE2 2.71Å; R462-E469 IonicContact NE-OE1 2.84Å; R462-E469 PolarHBondContact NE-OE1 2.97Å; R462-E469 IonicContact NE-OE2 3.86Å; R462-E469 PolarHBondContact NE-OE2 2.6Å; R462-E469 VanDerWaalsContact NH2-N 3.12Å; E469-S471 PolarHBondContact O-N 3.19Å; E469-V479 HydrophobicContact CB-CB 3.82Å; E469-V479 HydrophobicContact CB-CG1 4.33Å; E469-V479 HydrophobicContact CB-CG2 3.83Å; E469-V479 WeakPolarHBondContact OE2-CG2 3.43Å; E469-E480 WeakPolarHBondContact CG-O 3.01Å; E469-D482 HydrophobicContact CG-CB 3.99Å; E469-D482 VanDerWaalsContact OE1-CB 3.28Å; E469-D482 WeakPolarHBondContact OE1-CB 3.37Å; E469-D482 PolarHBondContact OE1-N 2.98Å
470	H	94.1	Very high	90.6	Very high	134 Å²	134	69.6 Å²	69.6	62%	0.62	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-75.8	126.3	-177.2	-59.3	98.5	0	0	0	110.4	V479 E480	H470-V479 CarbonylContact O-C 3.33Å; H470-V479 WeakPolarHBondContact O-CA 3.48Å; H470-V479 WeakPolarHBondContact O-CB 3.49Å; H470-E480 PolarHBondContact O-N 3.11Å
471	S	96.5	Very high	90.7	Very high	101 Å²	101	69.3 Å²	69.3	71%	0.706	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-65.5	143.1	173.9	-56.8	0	0	0	0	111.5	E469 L478	E469-S471 PolarHBondContact O-N 3.19Å; S471-L478 WeakPolarHBondContact CA-O 3.39Å
472	V	97.1	Very high	90.8	Very high	17 Å²	17	70.2 Å²	70.2	10%	0.103	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-80.9	124.8	174.9	-178.2	0	0	0	0	109.3	L451 G474 V475 L478 F540	L451-V472 HydrophobicContact CD1-CG1 3.88Å; L451-V472 HydrophobicContact CD2-CG1 3.97Å; V472-G474 PolarHBondContact O-N 3.47Å; V472-V475 HydrophobicContact CB-CB 4.45Å; V472-V475 HydrophobicContact CG1-CB 4.32Å; V472-V475 HydrophobicContact CG1-CG2 4.23Å; V472-V475 PolarHBondContact O-N 2.93Å; V472-L478 HydrophobicContact CB-CB 4.33Å; V472-L478 HydrophobicContact CB-CD2 4.16Å; V472-L478 HydrophobicContact CB-CG 4.42Å; V472-L478 HydrophobicContact CG1-CD2 4.35Å; V472-L478 HydrophobicContact CG2-CB 4.3Å; V472-L478 HydrophobicContact CG2-CD2 3.89Å; V472-L478 HydrophobicContact CG2-CG 3.97Å; V472-L478 PolarHBondContact N-O 3.02Å; V472-F540 HydrophobicContact CG2-CD1 3.44Å; V472-F540 VanDerWaalsContact CG2-CD1 3.44Å; V472-F540 HydrophobicContact CG2-CE1 3.63Å
473	E	93.8	Very high	91	Very high	188 Å²	188	69 Å²	69	88%	0.879	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	134.3	178.4	-169.9	175.8	-178.5	0	0	111	V475	E473-V475 VanDerWaalsContact C-N 3.26Å; E473-V475 PolarHBondContact O-N 3.16Å
474	G	92.9	Very high	91.3	Very high	53 Å²	53	67 Å²	67	55%	0.546	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-6.2	178.2	0	0	0	0	0	115.7	V472	V472-G474 PolarHBondContact O-N 3.47Å
475	V	96.6	Very high	91.8	Very high	6 Å²	6	64.8 Å²	64.8	4%	0.036	35%	0.349	C	S	.	.			trans	-123.6	113.8	177.8	-173.3	0	0	0	0	110.5	I442 D445 V446 A449 L451 V472 E473 L478	I442-V475 HydrophobicContact CG2-CG1 4.43Å; D445-V475 HydrophobicContact CB-CB 4.38Å; D445-V475 HydrophobicContact CB-CG1 3.78Å; V446-V475 HydrophobicContact CG2-CG1 3.82Å; V446-V475 HydrophobicContact CG2-CG2 4.37Å; A449-V475 HydrophobicContact CB-CG2 3.67Å; L451-V475 HydrophobicContact CD2-CG2 4.47Å; V472-V475 HydrophobicContact CB-CB 4.45Å; V472-V475 HydrophobicContact CG1-CB 4.32Å; V472-V475 HydrophobicContact CG1-CG2 4.23Å; V472-V475 PolarHBondContact O-N 2.93Å; E473-V475 VanDerWaalsContact C-N 3.26Å; E473-V475 PolarHBondContact O-N 3.16Å; V475-L478 HydrophobicContact CB-CB 4.15Å; V475-L478 HydrophobicContact CB-CD2 4.2Å; V475-L478 HydrophobicContact CG1-CB 3.63Å; V475-L478 HydrophobicContact CG1-CD2 3.8Å; V475-L478 HydrophobicContact CG1-CG 4.32Å
476	N	95.1	Very high	92.6	Very high	106 Å²	106	64.2 Å²	64.2	57%	0.567	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	145.6	178.8	-62.4	-64.9	0	0	0	110.9	D445 L478	D445-N476 PolarHBondContact OD2-N 2.78Å; D445-N476 PolarHBondContact OD2-ND2 3.01Å; N476-L478 PolarHBondContact O-N 2.84Å
477	N	96.8	Very high	93.4	Very high	88 Å²	88	56.8 Å²	56.8	47%	0.471	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.8	175.6	-62.8	105.4	0	0	0	114.6	I442 V542 E543	I442-N477 HydrophobicContact CD1-CB 4.02Å; I442-N477 HydrophobicContact CG1-CB 4.17Å; N477-V542 CarbonylContact O-C 3.57Å; N477-V542 WeakPolarHBondContact O-CA 3.49Å; N477-E543 VanDerWaalsContact CA-O 3.24Å; N477-E543 WeakPolarHBondContact CA-O 3.38Å; N477-E543 WeakPolarHBondContact CB-O 3.18Å; N477-E543 PolarHBondContact ND2-O 3.42Å; N477-E543 PolarHBondContact O-N 2.71Å
478	L	98.1	Very high	94.1	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138	174.4	-165.7	76.2	0	0	0	110.3	I442 V446 L451 I456 S471 V472 V475 N476 F540 S541	I442-L478 HydrophobicContact CG2-CD1 4.16Å; V446-L478 HydrophobicContact CG2-CD2 3.95Å; L451-L478 HydrophobicContact CD2-CD2 3.52Å; I456-L478 HydrophobicContact CD1-CD1 4.46Å; I456-L478 HydrophobicContact CG2-CD1 3.69Å; S471-L478 WeakPolarHBondContact CA-O 3.39Å; V472-L478 HydrophobicContact CB-CB 4.33Å; V472-L478 HydrophobicContact CB-CD2 4.16Å; V472-L478 HydrophobicContact CB-CG 4.42Å; V472-L478 HydrophobicContact CG1-CD2 4.35Å; V472-L478 HydrophobicContact CG2-CB 4.3Å; V472-L478 HydrophobicContact CG2-CD2 3.89Å; V472-L478 HydrophobicContact CG2-CG 3.97Å; V472-L478 PolarHBondContact N-O 3.02Å; V475-L478 HydrophobicContact CB-CB 4.15Å; V475-L478 HydrophobicContact CB-CD2 4.2Å; V475-L478 HydrophobicContact CG1-CB 3.63Å; V475-L478 HydrophobicContact CG1-CD2 3.8Å; V475-L478 HydrophobicContact CG1-CG 4.32Å; N476-L478 PolarHBondContact O-N 2.84Å; L478-F540 HydrophobicContact CD1-CB 3.95Å; L478-F540 HydrophobicContact CD2-CB 4.14Å; L478-F540 HydrophobicContact CD2-CD1 4.33Å; L478-F540 HydrophobicContact CD2-CG 4.21Å; L478-F540 HydrophobicContact CG-CB 4.04Å; L478-S541 WeakPolarHBondContact CD1-O 3.47Å
479	V	97.5	Very high	94.7	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.5	177.2	-60.7	0	0	0	0	111.1	E469 H470 A481 F540 S541 E543	E469-V479 HydrophobicContact CB-CB 3.82Å; E469-V479 HydrophobicContact CB-CG1 4.33Å; E469-V479 HydrophobicContact CB-CG2 3.83Å; E469-V479 WeakPolarHBondContact OE2-CG2 3.43Å; H470-V479 CarbonylContact O-C 3.33Å; H470-V479 WeakPolarHBondContact O-CA 3.48Å; H470-V479 WeakPolarHBondContact O-CB 3.49Å; V479-A481 PolarHBondContact O-N 3.32Å; V479-F540 CarbonylContact O-C 3.58Å; V479-F540 VanDerWaalsContact O-CA 3.25Å; V479-F540 WeakPolarHBondContact O-CA 2.89Å; V479-F540 WeakPolarHBondContact O-CB 3.35Å; V479-S541 WeakPolarHBondContact CG2-O 3.15Å; V479-S541 PolarHBondContact N-O 2.86Å; V479-S541 PolarHBondContact O-N 3.38Å; V479-E543 HydrophobicContact CG1-CB 3.83Å; V479-E543 HydrophobicContact CG1-CG 4.22Å; V479-E543 HydrophobicContact CG2-CB 4.13Å
480	E	97.2	Very high	95	Very high	93 Å²	93	45.6 Å²	45.6	44%	0.435	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	128.4	166.5	-66.7	-175.5	-179.8	0	0	110	E469 H470 D482 F540	E469-E480 WeakPolarHBondContact CG-O 3.01Å; H470-E480 PolarHBondContact O-N 3.11Å; E480-D482 PolarHBondContact O-N 3.46Å; E480-F540 HydrophobicContact CG-CD1 4.41Å; E480-F540 HydrophobicContact CG-CE1 4.22Å
481	A	95.8	Very high	95.3	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	22%	0.215	C	C	.	.			trans	-72.8	132.4	-179.3	0	0	0	0	0	110.9	Y457 V479 F520 A539	Y457-A481 HydrophobicContact CD2-CB 4.07Å; Y457-A481 HydrophobicContact CE2-CB 4.32Å; V479-A481 PolarHBondContact O-N 3.32Å; A481-F520 HydrophobicContact CB-CE2 4.26Å; A481-F520 HydrophobicContact CB-CZ 4.42Å; A481-A539 HydrophobicContact CB-CB 4.05Å; A481-A539 PolarHBondContact N-O 2.93Å; A481-A539 VanDerWaalsContact N-O 3.08Å
482	D	93.5	Very high	95.4	Very high	47 Å²	47	34.4 Å²	34.4	25%	0.251	18%	0.182	S	C	.	.			trans	-100.9	-172	168	-151.5	-17.9	0	0	0	111	E469 E480 S484	E469-D482 HydrophobicContact CG-CB 3.99Å; E469-D482 VanDerWaalsContact OE1-CB 3.28Å; E469-D482 WeakPolarHBondContact OE1-CB 3.37Å; E469-D482 PolarHBondContact OE1-N 2.98Å; E480-D482 PolarHBondContact O-N 3.46Å; D482-S484 PolarHBondContact O-N 2.91Å; D482-S484 PolarHBondContact O-OG 3.37Å
483	Y	94.1	Very high	95.5	Very high	31 Å²	31	34.1 Å²	34.1	12%	0.122	18%	0.181	C	C	.	.	S	Bend	trans	-50	124.5	177.2	-174.9	-129.8	0	0	0	112	M463 Y485 E514 P517 K522 H523 P524	M463-Y483 HydrophobicContact CB-CD1 3.43Å; M463-Y483 VanDerWaalsContact CB-CD1 3.43Å; M463-Y483 HydrophobicContact CB-CE1 3.88Å; M463-Y483 HydrophobicContact CB-CG 4.24Å; M463-Y483 WeakPolarHBondContact CB-O 3.2Å; M463-Y483 HydrophobicContact CG-CD1 3.94Å; M463-Y483 HydrophobicContact CG-CE1 3.97Å; M463-Y483 PolarHBondContact N-O 3.19Å; M463-Y483 VanDerWaalsContact N-O 3.13Å; Y483-Y485 HydrophobicContact CE1-CE2 4.47Å; Y483-Y485 AromaticContact CZ-CZ 3.92Å; Y483-Y485 PolarHBondContact OH-OH 2.92Å; Y483-E514 PolarHBondContact OH-OE1 3.11Å; Y483-E514 PolarHBondContact OH-OE2 3.28Å; Y483-P517 HydrophobicContact CD2-CB 3.84Å; Y483-P517 HydrophobicContact CD2-CG 4.07Å; Y483-P517 HydrophobicContact CE2-CB 4.3Å; Y483-P517 HydrophobicContact CE2-CG 4.34Å; Y483-K522 WeakPolarHBondContact CB-O 3.35Å; Y483-H523 AromaticContact CE2-CD2 3.83Å; Y483-P524 HydrophobicContact CD1-CG 4.08Å; Y483-P524 VanDerWaalsContact CD2-CD 3.42Å; Y483-P524 HydrophobicContact CD2-CG 4.37Å; Y483-P524 HydrophobicContact CE1-CG 3.81Å; Y483-P524 HydrophobicContact CE2-CG 4.09Å; Y483-P524 HydrophobicContact CG-CG 4.36Å
484	S	92.1	Very high	95.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.8	-167.4	-60.4	0	0	0	0	110.7	R460 K461 D482 D513 P517	R460-S484 WeakPolarHBondContact CD-OG 3.35Å; R460-S484 PolarHBondContact NH1-OG 2.81Å; K461-S484 CarbonylContact O-C 3.56Å; K461-S484 WeakPolarHBondContact O-CA 3.19Å; D482-S484 PolarHBondContact O-N 2.91Å; D482-S484 PolarHBondContact O-OG 3.37Å; S484-D513 VanDerWaalsContact O-O 3.05Å; S484-P517 WeakPolarHBondContact O-CG 3.34Å
485	Y	89.8	Confident	96	Very high	15 Å²	15	27.6 Å²	27.6	6%	0.059	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	169.2	162.7	-81.3	-41.2	0	0	0	111.2	P390 Y391 K461 M463 Y483 D513 E514	P390-Y485 WeakPolarHBondContact CG-OH 3.3Å; Y391-Y485 HydrophobicContact CE2-CD2 4.25Å; Y391-Y485 AromaticContact CE2-CE2 3.44Å; Y391-Y485 HydrophobicContact CE2-CE2 3.44Å; Y391-Y485 VanDerWaalsContact CE2-CE2 3.44Å; Y391-Y485 AromaticContact CE2-CZ 3.99Å; Y391-Y485 AromaticContact CZ-CE2 3.9Å; Y391-Y485 WeakPolarHBondContact OH-CE2 3.39Å; K461-Y485 WeakPolarHBondContact CA-O 3.28Å; K461-Y485 WeakPolarHBondContact CB-O 3.39Å; K461-Y485 PolarHBondContact N-O 3.08Å; K461-Y485 PolarHBondContact O-N 3.4Å; M463-Y485 HydrophobicContact CE-CD2 3.91Å; M463-Y485 HydrophobicContact CE-CE2 3.94Å; M463-Y485 HydrophobicContact CG-CD2 3.57Å; M463-Y485 HydrophobicContact CG-CE2 4.04Å; M463-Y485 HydrophobicContact CG-CG 4.09Å; M463-Y485 HydrophobicContact SD-CD2 3.3Å; M463-Y485 WeakPolarHBondContact SD-CD2 3.47Å; M463-Y485 HydrophobicContact SD-CE2 3.94Å; M463-Y485 HydrophobicContact SD-CG 4.17Å; Y483-Y485 HydrophobicContact CE1-CE2 4.47Å; Y483-Y485 AromaticContact CZ-CZ 3.92Å; Y483-Y485 PolarHBondContact OH-OH 2.92Å; Y485-D513 HydrophobicContact CD1-CB 4.31Å; Y485-D513 WeakPolarHBondContact CD1-OD2 3.45Å; Y485-E514 HydrophobicContact CE1-CG 3.89Å; Y485-E514 VanDerWaalsContact CE1-OE1 3.23Å; Y485-E514 WeakPolarHBondContact CE1-OE1 3.33Å; Y485-E514 VanDerWaalsContact CZ-OE1 3.32Å; Y485-E514 PolarHBondContact OH-OE1 3.21Å
486	W	91.3	Very high	96	Very high	54 Å²	54	27.3 Å²	27.3	21%	0.205	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63	135.4	179.6	-51.4	-21	0	0	0	113.8	K461 L488 D513 P549 Y552	K461-W486 HydrophobicContact CB-CB 4.43Å; K461-W486 HydrophobicContact CB-CD2 3.59Å; K461-W486 HydrophobicContact CB-CE3 3.49Å; K461-W486 VanDerWaalsContact CB-CE3 3.49Å; K461-W486 HydrophobicContact CB-CG 4.01Å; K461-W486 HydrophobicContact CB-CZ3 3.95Å; K461-W486 HydrophobicContact CD-CD2 4.07Å; K461-W486 HydrophobicContact CD-CE3 4.27Å; K461-W486 HydrophobicContact CD-CH2 3.92Å; K461-W486 HydrophobicContact CD-CZ2 3.74Å; K461-W486 HydrophobicContact CD-CZ3 4.17Å; K461-W486 HydrophobicContact CG-CD2 4.44Å; K461-W486 HydrophobicContact CG-CE3 4.31Å; K461-W486 HydrophobicContact CG-CZ3 4.32Å; W486-L488 HydrophobicContact CB-CD2 4.31Å; W486-L488 HydrophobicContact CB-CG 3.98Å; W486-L488 HydrophobicContact CE3-CD1 4.08Å; W486-L488 HydrophobicContact CE3-CG 4.49Å; W486-D513 PolarHBondContact N-OD2 3.5Å; W486-D513 VanDerWaalsContact N-OD2 3.08Å; W486-P549 HydrophobicContact CE3-CG 4.41Å; W486-P549 HydrophobicContact CH2-CG 4.37Å; W486-P549 HydrophobicContact CZ3-CG 3.79Å; W486-Y552 AromaticContact CH2-CD1 3.88Å; W486-Y552 HydrophobicContact CH2-CD1 3.88Å; W486-Y552 HydrophobicContact CH2-CE1 4.27Å; W486-Y552 HydrophobicContact CZ3-CD1 4.21Å; W486-Y552 HydrophobicContact CZ3-CE1 4.14Å
487	T	91.4	Very high	96.2	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.025	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	30.8	179	38.5	0	0	0	0	112.2	H407 E426 A489 Y490 V512 D513 L516	H407-T487 PolarHBondContact NE2-OG1 3Å; E426-T487 VanDerWaalsContact OE1-C 3.26Å; E426-T487 WeakPolarHBondContact OE1-CB 3.34Å; E426-T487 PolarHBondContact OE1-OG1 3.38Å; T487-A489 PolarHBondContact O-N 3.5Å; T487-Y490 HydrophobicContact CG2-CE1 4.32Å; T487-V512 HydrophobicContact CG2-CG1 4.01Å; T487-V512 HydrophobicContact CG2-CG2 4.37Å; T487-D513 HydrophobicContact CG2-CB 4.26Å; T487-L516 HydrophobicContact CG2-CD1 3.59Å
488	L	95.4	Very high	96.3	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.037	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-40.1	-49.9	-175.6	-59	178.4	0	0	0	112.4	E426 V429 W486 P549	E426-L488 PolarHBondContact N-O 2.9Å; V429-L488 HydrophobicContact CG1-CB 3.74Å; V429-L488 HydrophobicContact CG1-CD2 4.3Å; V429-L488 WeakPolarHBondContact CG1-O 3.37Å; W486-L488 HydrophobicContact CB-CD2 4.31Å; W486-L488 HydrophobicContact CB-CG 3.98Å; W486-L488 HydrophobicContact CE3-CD1 4.08Å; W486-L488 HydrophobicContact CE3-CG 4.49Å; L488-P549 HydrophobicContact CD1-CB 4.39Å; L488-P549 HydrophobicContact CD1-CG 4.46Å; L488-P549 HydrophobicContact CD2-CB 4.26Å
489	A	98.1	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	146	167.7	0	0	0	0	0	113.2	V424 L425 V458 G459 T487 L547	V424-A489 CarbonylContact O-C 3.59Å; V424-A489 WeakPolarHBondContact O-CA 3.49Å; V424-A489 WeakPolarHBondContact O-CB 3.45Å; L425-A489 HydrophobicContact CG-CB 4.16Å; V458-A489 HydrophobicContact CB-CB 4.09Å; V458-A489 PolarHBondContact N-O 3.24Å; G459-A489 PolarHBondContact N-O 3.29Å; G459-A489 PolarHBondContact O-N 3.27Å; T487-A489 PolarHBondContact O-N 3.5Å; A489-L547 HydrophobicContact CB-CD1 3.25Å; A489-L547 HydrophobicContact CB-CG 4.46Å
490	Y	98.8	Very high	96.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	147.8	172.2	58.6	-92.9	0	0	0	112	H407 W411 V424 L455 I456 T487 L492	H407-Y490 AromaticContact CE1-CE1 3.74Å; H407-Y490 AromaticContact ND1-CE1 3.57Å; H407-Y490 AromaticContact ND1-CZ 3.66Å; H407-Y490 PolarHBondContact ND1-OH 2.97Å; W411-Y490 PolarHBondContact NE1-OH 2.95Å; V424-Y490 HydrophobicContact CB-CD2 4.36Å; V424-Y490 HydrophobicContact CB-CE1 4.31Å; V424-Y490 HydrophobicContact CB-CE2 4.05Å; V424-Y490 HydrophobicContact CG1-CE1 4.29Å; V424-Y490 HydrophobicContact CG2-CD2 4.41Å; V424-Y490 HydrophobicContact CG2-CE2 3.88Å; V424-Y490 PolarHBondContact N-O 2.6Å; V424-Y490 PolarHBondContact O-N 2.9Å; L455-Y490 HydrophobicContact CD1-CD2 3.98Å; L455-Y490 HydrophobicContact CD1-CE2 4.36Å; L455-Y490 HydrophobicContact CD1-CG 4.26Å; L455-Y490 HydrophobicContact CG-CD2 4.2Å; L455-Y490 HydrophobicContact CG-CG 4.41Å; I456-Y490 CarbonylContact O-C 3.03Å; I456-Y490 WeakPolarHBondContact O-CA 3.48Å; I456-Y490 WeakPolarHBondContact O-CB 3.34Å; T487-Y490 HydrophobicContact CG2-CE1 4.32Å; Y490-L492 HydrophobicContact CD2-CB 4.05Å; Y490-L492 HydrophobicContact CE2-CB 3.97Å; Y490-L492 HydrophobicContact CE2-CD1 4.39Å; Y490-L492 HydrophobicContact CE2-CD2 4.3Å; Y490-L492 HydrophobicContact CE2-CG 4.46Å
491	A	98.8	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	142.2	162.2	0	0	0	0	0	109.5	F331 V422 W453 L455 I456	F331-A491 HydrophobicContact CE1-CB 3.77Å; F331-A491 HydrophobicContact CZ-CB 4.16Å; V422-A491 CarbonylContact O-C 3.58Å; V422-A491 VanDerWaalsContact O-CA 3.26Å; V422-A491 WeakPolarHBondContact O-CA 3.34Å; W453-A491 HydrophobicContact CH2-CB 4.02Å; W453-A491 HydrophobicContact CZ3-CB 4.05Å; L455-A491 WeakPolarHBondContact CA-O 3.36Å; I456-A491 HydrophobicContact CB-CB 4.25Å; I456-A491 PolarHBondContact N-O 3.47Å; I456-A491 PolarHBondContact O-N 3.04Å
492	L	98.9	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.5	-179.6	-174.7	70.2	0	0	0	110.1	W411 K421 V422 L455 Y490 A497 L500	W411-L492 HydrophobicContact CG-CD2 4.25Å; K421-L492 WeakPolarHBondContact CA-O 3.39Å; V422-L492 HydrophobicContact CG2-CB 4.04Å; V422-L492 PolarHBondContact N-O 3.07Å; V422-L492 PolarHBondContact O-N 2.77Å; L455-L492 HydrophobicContact CD1-CD1 4.49Å; Y490-L492 HydrophobicContact CD2-CB 4.05Å; Y490-L492 HydrophobicContact CE2-CB 3.97Å; Y490-L492 HydrophobicContact CE2-CD1 4.39Å; Y490-L492 HydrophobicContact CE2-CD2 4.3Å; Y490-L492 HydrophobicContact CE2-CG 4.46Å; L492-A497 HydrophobicContact CD2-CB 3.85Å; L492-A497 HydrophobicContact CG-CB 4.32Å; L492-L500 HydrophobicContact CD1-CD1 4Å
493	S	98.8	Very high	96.4	Very high	12 Å²	12	24.5 Å²	24.5	8%	0.084	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	159.2	171.8	83.5	0	0	0	0	111	Q420 W453 D454 Q495 G496 A497	Q420-S493 CarbonylContact O-C 3.58Å; Q420-S493 WeakPolarHBondContact O-CA 3.46Å; W453-S493 PolarHBondContact O-OG 3.27Å; W453-S493 VanDerWaalsContact O-OG 3.12Å; D454-S493 WeakPolarHBondContact CA-OG 3.42Å; D454-S493 PolarHBondContact O-N 3.34Å; S493-Q495 PolarHBondContact O-N 3.31Å; S493-Q495 PolarHBondContact OG-N 2.94Å; S493-G496 PolarHBondContact O-N 3.41Å; S493-G496 PolarHBondContact OG-N 3.27Å; S493-G496 VanDerWaalsContact OG-N 3.09Å; S493-A497 PolarHBondContact O-N 3.2Å
494	Q	98.6	Very high	96.3	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.093	15%	0.146	C	C	.	.	H	α-helix	trans	-56.6	-39.7	173.4	-170.2	169.6	94.5	0	0	112.5	G418 L419 Q420 A497 R498	G418-Q494 PolarHBondContact O-NE2 2.8Å; L419-Q494 VanDerWaalsContact O-CB 3.24Å; L419-Q494 WeakPolarHBondContact O-CB 3.5Å; L419-Q494 PolarHBondContact O-NE2 3.16Å; Q420-Q494 VanDerWaalsContact NE2-NE2 3.19Å; Q420-Q494 PolarHBondContact O-N 2.99Å; Q494-A497 PolarHBondContact O-N 3.08Å; Q494-R498 WeakPolarHBondContact O-CG 3.43Å; Q494-R498 PolarHBondContact O-N 2.98Å; Q494-R498 VanDerWaalsContact OE1-CZ 3.32Å
495	Q	98.4	Very high	96.2	Very high	84 Å²	84	29.9 Å²	29.9	39%	0.393	15%	0.147	S	C	.	.	H	α-helix	trans	-63.9	-45.8	178.6	-176.1	-178.3	21.5	0	0	110.5	D452 D454 S493 A497 R498 K499	D452-Q495 PolarHBondContact OD1-OE1 3.14Å; D454-Q495 WeakPolarHBondContact OD1-CG 3.33Å; S493-Q495 PolarHBondContact O-N 3.31Å; S493-Q495 PolarHBondContact OG-N 2.94Å; Q495-A497 VanDerWaalsContact C-N 3.35Å; Q495-A497 PolarHBondContact O-N 2.83Å; Q495-R498 PolarHBondContact O-N 3.37Å; Q495-R498 VanDerWaalsContact O-N 3.17Å; Q495-K499 WeakPolarHBondContact O-CG 3.41Å; Q495-K499 PolarHBondContact O-N 2.68Å
496	G	98.6	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-47.3	175.3	0	0	0	0	0	111.9	D454 S493 R498 K499 L500	D454-G496 WeakPolarHBondContact OD1-CA 3.27Å; D454-G496 PolarHBondContact OD1-N 3.24Å; D454-G496 VanDerWaalsContact OD1-N 3.11Å; S493-G496 PolarHBondContact O-N 3.41Å; S493-G496 PolarHBondContact OG-N 3.27Å; S493-G496 VanDerWaalsContact OG-N 3.09Å; G496-R498 VanDerWaalsContact C-N 3.33Å; G496-R498 PolarHBondContact O-N 2.99Å; G496-K499 PolarHBondContact O-N 3.2Å; G496-L500 VanDerWaalsContact O-CG 3.31Å; G496-L500 WeakPolarHBondContact O-CG 3.17Å; G496-L500 PolarHBondContact O-N 3.29Å
497	A	98.7	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.5	-43.4	176.3	0	0	0	0	0	112.4	W411 V414 V415 L492 S493 Q494 Q495 L500 L501	W411-A497 HydrophobicContact CB-CB 4.3Å; V414-A497 HydrophobicContact CB-CB 3.96Å; V414-A497 HydrophobicContact CG1-CB 3.69Å; V415-A497 HydrophobicContact CG2-CB 3.87Å; L492-A497 HydrophobicContact CD2-CB 3.85Å; L492-A497 HydrophobicContact CG-CB 4.32Å; S493-A497 PolarHBondContact O-N 3.2Å; Q494-A497 PolarHBondContact O-N 3.08Å; Q495-A497 VanDerWaalsContact C-N 3.35Å; Q495-A497 PolarHBondContact O-N 2.83Å; A497-L500 PolarHBondContact O-N 3.19Å; A497-L501 VanDerWaalsContact O-CG 3.26Å; A497-L501 WeakPolarHBondContact O-CG 3Å; A497-L501 PolarHBondContact O-N 3.01Å; A497-L501 VanDerWaalsContact O-N 3.1Å
498	R	98.5	Very high	96.6	Very high	133 Å²	133	33.9 Å²	33.9	50%	0.502	17%	0.172	S	C	.	.	H	α-helix	trans	-62.4	-43.7	176	-72.6	-178.6	179.8	138.5	7.6	112.3	V415 Q494 Q495 G496 L501 A502	V415-R498 HydrophobicContact CG1-CG 4.19Å; V415-R498 HydrophobicContact CG2-CG 3.61Å; Q494-R498 WeakPolarHBondContact O-CG 3.43Å; Q494-R498 PolarHBondContact O-N 2.98Å; Q494-R498 VanDerWaalsContact OE1-CZ 3.32Å; Q495-R498 PolarHBondContact O-N 3.37Å; Q495-R498 VanDerWaalsContact O-N 3.17Å; G496-R498 VanDerWaalsContact C-N 3.33Å; G496-R498 PolarHBondContact O-N 2.99Å; R498-L501 PolarHBondContact O-N 3.22Å; R498-A502 WeakPolarHBondContact O-CB 3.28Å; R498-A502 PolarHBondContact O-N 3.27Å
499	K	98.4	Very high	96.5	Very high	29 Å²	29	33.7 Å²	33.7	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-46.4	177.5	-71.7	177.6	176.4	178	0	111.7	D454 Q495 G496 L501 A502 D536 L537	D454-K499 IonicContact OD1-NZ 3.21Å; D454-K499 IonicContact OD2-NZ 3.51Å; D454-K499 PolarHBondContact OD2-NZ 3.13Å; Q495-K499 WeakPolarHBondContact O-CG 3.41Å; Q495-K499 PolarHBondContact O-N 2.68Å; G496-K499 PolarHBondContact O-N 3.2Å; K499-L501 VanDerWaalsContact C-N 3.32Å; K499-L501 PolarHBondContact O-N 3.32Å; K499-A502 PolarHBondContact O-N 3.34Å; K499-D536 WeakPolarHBondContact CE-OD2 3.49Å; K499-D536 PolarHBondContact NZ-O 3.42Å; K499-D536 IonicContact NZ-OD2 3.48Å; K499-L537 HydrophobicContact CB-CD1 4.12Å; K499-L537 HydrophobicContact CD-CD1 4.23Å
500	L	98.1	Very high	96.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.4	-36	179.3	-65.1	175.5	0	0	0	112.8	W411 L492 G496 A497 V503 F515 L516 M519 L537	W411-L500 HydrophobicContact CD2-CB 4.08Å; W411-L500 HydrophobicContact CD2-CD1 3.93Å; W411-L500 HydrophobicContact CE3-CB 3.8Å; W411-L500 HydrophobicContact CE3-CD1 4.38Å; W411-L500 HydrophobicContact CG-CD1 4.35Å; W411-L500 HydrophobicContact CH2-CD1 4.46Å; W411-L500 HydrophobicContact CZ2-CD1 3.98Å; W411-L500 HydrophobicContact CZ3-CB 4.11Å; L492-L500 HydrophobicContact CD1-CD1 4Å; G496-L500 VanDerWaalsContact O-CG 3.31Å; G496-L500 WeakPolarHBondContact O-CG 3.17Å; G496-L500 PolarHBondContact O-N 3.29Å; A497-L500 PolarHBondContact O-N 3.19Å; L500-V503 WeakPolarHBondContact O-CG2 2.85Å; L500-F515 HydrophobicContact CD2-CE1 3.81Å; L500-F515 HydrophobicContact CD2-CZ 4.29Å; L500-L516 HydrophobicContact CD1-CD2 3.83Å; L500-L516 HydrophobicContact CD2-CD2 3.71Å; L500-L516 HydrophobicContact CG-CD2 4.45Å; L500-M519 HydrophobicContact CD2-CB 4.04Å; L500-M519 HydrophobicContact CD2-CG 3.87Å; L500-L537 HydrophobicContact CD2-CD1 4.08Å; L500-L537 HydrophobicContact CD2-CD2 3.94Å; L500-L537 HydrophobicContact CG-CD1 4.12Å
501	L	97.1	Very high	96.2	Very high	43 Å²	43	33.9 Å²	33.9	23%	0.225	17%	0.173	C	C	.	.	H	α-helix	trans	-75.5	-34.9	177	-68.2	169.9	0	0	0	112.9	H408 W411 V415 A497 R498 K499 V503 Q504	H408-L501 VanDerWaalsContact NE2-CD2 3.27Å; H408-L501 WeakPolarHBondContact NE2-CD2 3.45Å; W411-L501 HydrophobicContact CB-CD1 4.32Å; W411-L501 HydrophobicContact CB-CD2 4.07Å; W411-L501 HydrophobicContact CB-CG 4.05Å; W411-L501 HydrophobicContact CE3-CD2 4.49Å; V415-L501 HydrophobicContact CB-CD1 4.3Å; V415-L501 HydrophobicContact CG2-CD1 3.8Å; A497-L501 VanDerWaalsContact O-CG 3.26Å; A497-L501 WeakPolarHBondContact O-CG 3Å; A497-L501 PolarHBondContact O-N 3.01Å; A497-L501 VanDerWaalsContact O-N 3.1Å; R498-L501 PolarHBondContact O-N 3.22Å; K499-L501 VanDerWaalsContact C-N 3.32Å; K499-L501 PolarHBondContact O-N 3.32Å; L501-V503 PolarHBondContact O-N 3.2Å; L501-Q504 PolarHBondContact O-N 3.35Å
502	A	96.6	Very high	96	Very high	74 Å²	74	34.1 Å²	34.1	61%	0.612	17%	0.174	S	C	*	.	H	α-helix	trans	-63.7	-27.4	-173.9	0	0	0	0	0	113.7	R498 K499 Q504	R498-A502 WeakPolarHBondContact O-CB 3.28Å; R498-A502 PolarHBondContact O-N 3.27Å; K499-A502 PolarHBondContact O-N 3.34Å; A502-Q504 PolarHBondContact O-N 3.01Å
503	V	93.8	Very high	95.7	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.048	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.6	-177.9	-64.7	0	0	0	0	115.1	L500 L501 K508 F515 M519 F532	L500-V503 WeakPolarHBondContact O-CG2 2.85Å; L501-V503 PolarHBondContact O-N 3.2Å; V503-K508 WeakPolarHBondContact O-CE 3.21Å; V503-K508 PolarHBondContact O-NZ 3.28Å; V503-F515 HydrophobicContact CG2-CE2 3.84Å; V503-F515 HydrophobicContact CG2-CZ 3.64Å; V503-M519 HydrophobicContact CB-CE 4.35Å; V503-M519 HydrophobicContact CB-SD 4.43Å; V503-M519 HydrophobicContact CG1-CE 3.5Å; V503-M519 VanDerWaalsContact CG1-CE 3.5Å; V503-M519 HydrophobicContact CG1-SD 4.09Å; V503-M519 HydrophobicContact CG2-CE 3.99Å; V503-M519 HydrophobicContact CG2-SD 3.85Å; V503-F532 HydrophobicContact CB-CD1 4.45Å; V503-F532 HydrophobicContact CG2-CD1 4.39Å
504	Q	91.3	Very high	95.5	Very high	141 Å²	141	35 Å²	35	66%	0.659	18%	0.178	S	C	*	.			trans	48.4	65.8	177	-61.2	-178.2	-0.3	0	0	112.4	L501 A502 F506	L501-Q504 PolarHBondContact O-N 3.35Å; A502-Q504 PolarHBondContact O-N 3.01Å; Q504-F506 PolarHBondContact O-N 2.76Å; Q504-F506 VanDerWaalsContact O-N 3.11Å
505	P	91.8	Very high	95.5	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.019	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-68.2	-14.4	-168.5	26.9	-35.1	0	0	0	114.7	F404 T507 K508 M509 F515	F404-P505 HydrophobicContact CE1-CB 3.89Å; F404-P505 HydrophobicContact CE1-CG 3.71Å; F404-P505 HydrophobicContact CZ-CB 3.5Å; F404-P505 HydrophobicContact CZ-CG 3.74Å; P505-T507 PolarHBondContact O-N 3.33Å; P505-K508 CarbonylContact O-C 3.39Å; P505-K508 PolarHBondContact O-N 3.3Å; P505-M509 WeakPolarHBondContact O-CA 3.47Å; P505-M509 PolarHBondContact O-N 3.48Å; P505-F515 HydrophobicContact CB-CD2 4.49Å; P505-F515 HydrophobicContact CB-CE2 3.93Å; P505-F515 HydrophobicContact CB-CZ 4Å; P505-F515 HydrophobicContact CG-CZ 4.39Å
506	F	94.2	Very high	95.4	Very high	43 Å²	43	30.1 Å²	30.1	19%	0.189	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.3	-32.6	-173.3	-70.4	2.9	0	0	0	113.3	G380 I381 E382 F404 L405 H408 Q504 K508 M509	G380-F506 CarbonylContact O-C 3.53Å; I381-F506 CarbonylContact C-O 3.47Å; I381-F506 WeakPolarHBondContact CA-O 3.24Å; E382-F506 PolarHBondContact N-O 3.28Å; F404-F506 HydrophobicContact CD1-CE1 4.25Å; F404-F506 HydrophobicContact CE1-CD1 4.42Å; F404-F506 HydrophobicContact CE1-CE1 4.16Å; L405-F506 HydrophobicContact CD2-CE1 3.71Å; L405-F506 HydrophobicContact CD2-CE2 4.02Å; L405-F506 HydrophobicContact CD2-CZ 3.38Å; H408-F506 HydrophobicContact CB-CE1 4.28Å; H408-F506 HydrophobicContact CB-CZ 4.47Å; H408-F506 AromaticContact CD2-CE1 3.66Å; H408-F506 AromaticContact CD2-CZ 3.93Å; H408-F506 AromaticContact CE1-CZ 3.66Å; H408-F506 AromaticContact CG-CE1 3.75Å; H408-F506 AromaticContact CG-CZ 3.76Å; H408-F506 AromaticContact ND1-CZ 3.59Å; H408-F506 AromaticContact NE2-CE1 3.93Å; H408-F506 AromaticContact NE2-CZ 3.86Å; Q504-F506 PolarHBondContact O-N 2.76Å; Q504-F506 VanDerWaalsContact O-N 3.11Å; F506-K508 PolarHBondContact O-N 3.35Å; F506-M509 HydrophobicContact CD1-CE 3.51Å; F506-M509 HydrophobicContact CE1-CE 3.95Å; F506-M509 HydrophobicContact CG-CE 4.25Å
507	T	92.4	Very high	95.3	Very high	74 Å²	74	30.1 Å²	30.1	45%	0.454	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-82.5	6.2	179.7	68.9	0	0	0	0	113.6	E382 P505	E382-T507 CarbonylContact O-C 3.54Å; P505-T507 PolarHBondContact O-N 3.33Å
508	K	92.9	Very high	95.3	Very high	41 Å²	41	30.1 Å²	30.1	18%	0.178	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-159	47.7	-176.8	52.4	-176.4	174.5	-163.3	0	110.4	E382 L384 V503 P505 F506 H531 F532	E382-K508 CarbonylContact O-C 3.4Å; E382-K508 WeakPolarHBondContact O-CA 3.47Å; E382-K508 PolarHBondContact O-N 3.28Å; L384-K508 HydrophobicContact CD1-CB 3.89Å; V503-K508 WeakPolarHBondContact O-CE 3.21Å; V503-K508 PolarHBondContact O-NZ 3.28Å; P505-K508 CarbonylContact O-C 3.39Å; P505-K508 PolarHBondContact O-N 3.3Å; F506-K508 PolarHBondContact O-N 3.35Å; K508-H531 HydrophobicContact CD-CB 4.27Å; K508-H531 WeakPolarHBondContact CD-O 3.43Å; K508-H531 WeakPolarHBondContact CE-O 3.33Å; K508-H531 PolarHBondContact NZ-O 3.28Å; K508-F532 HydrophobicContact CB-CZ 4.39Å; K508-F532 HydrophobicContact CD-CD1 4.11Å; K508-F532 HydrophobicContact CD-CE1 3.74Å; K508-F532 HydrophobicContact CD-CE2 4.47Å; K508-F532 HydrophobicContact CD-CZ 3.96Å; K508-F532 HydrophobicContact CG-CE1 3.79Å; K508-F532 HydrophobicContact CG-CZ 3.84Å; K508-F532 WeakPolarHBondContact O-CZ 3.49Å
509	M	94.6	Very high	95.2	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-73.2	144.2	-170.1	-170.2	172.4	-76.1	0	0	112.1	I381 E382 L384 L396 I401 F404 L405 P505 F506	I381-M509 HydrophobicContact CD1-CE 4.32Å; I381-M509 HydrophobicContact CG1-CE 4.15Å; I381-M509 HydrophobicContact CG2-CB 4.43Å; I381-M509 HydrophobicContact CG2-CE 4.26Å; I381-M509 HydrophobicContact CG2-SD 3.9Å; E382-M509 PolarHBondContact O-N 2.86Å; L384-M509 PolarHBondContact N-O 3.34Å; L396-M509 HydrophobicContact CD1-CB 4.19Å; L396-M509 HydrophobicContact CD1-CG 3.95Å; I401-M509 HydrophobicContact CB-SD 4.27Å; I401-M509 HydrophobicContact CG1-SD 3.92Å; I401-M509 HydrophobicContact CG2-SD 4Å; F404-M509 HydrophobicContact CB-SD 4.35Å; F404-M509 HydrophobicContact CD1-CE 3.81Å; F404-M509 HydrophobicContact CD2-CG 4.47Å; F404-M509 HydrophobicContact CE1-CE 4.33Å; F404-M509 HydrophobicContact CG-CE 4.18Å; F404-M509 HydrophobicContact CG-CG 4.47Å; F404-M509 HydrophobicContact CG-SD 4.37Å; L405-M509 HydrophobicContact CD2-CE 4.45Å; P505-M509 WeakPolarHBondContact O-CA 3.47Å; P505-M509 PolarHBondContact O-N 3.48Å; F506-M509 HydrophobicContact CD1-CE 3.51Å; F506-M509 HydrophobicContact CE1-CE 3.95Å; F506-M509 HydrophobicContact CG-CE 4.25Å
510	L	94.6	Very high	95.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.			trans	-148.8	168.7	170.7	57.7	109.3	0	0	0	106.9	L384 Y387 F404 E514 F515 I518 F532	L384-L510 HydrophobicContact CB-CD2 4.17Å; L384-L510 HydrophobicContact CD1-CD2 4.41Å; L384-L510 HydrophobicContact CD2-CD2 3.75Å; L384-L510 HydrophobicContact CG-CD2 4.33Å; Y387-L510 HydrophobicContact CD2-CB 3.97Å; Y387-L510 HydrophobicContact CE2-CB 4.14Å; Y387-L510 HydrophobicContact CG-CB 4.36Å; F404-L510 VanDerWaalsContact CD2-O 3.26Å; F404-L510 WeakPolarHBondContact CD2-O 3.41Å; L510-E514 HydrophobicContact CD1-CB 3.18Å; L510-E514 HydrophobicContact CD1-CG 4.44Å; L510-F515 HydrophobicContact CD1-CB 3.83Å; L510-F515 HydrophobicContact CG-CB 4.3Å; L510-I518 HydrophobicContact CD1-CD1 3.95Å; L510-I518 HydrophobicContact CD2-CD1 3.73Å; L510-F532 HydrophobicContact CD2-CE2 3.6Å; L510-F532 HydrophobicContact CD2-CZ 3.65Å
511	P	94.4	Very high	95.1	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.032	15%	0.15	C	C	.	.			trans	-55.5	148.3	-177.2	-27.5	37	0	0	0	112.5	Y387 L396 E400 D513 E514 F515	Y387-P511 HydrophobicContact CE1-CG 4.44Å; Y387-P511 WeakPolarHBondContact OH-CD 3.45Å; Y387-P511 WeakPolarHBondContact OH-CG 3.39Å; L396-P511 VanDerWaalsContact CD2-CD 3.45Å; L396-P511 HydrophobicContact CD2-CG 3.59Å; E400-P511 HydrophobicContact CG-CG 4.41Å; P511-D513 VanDerWaalsContact CB-OD1 3.26Å; P511-D513 WeakPolarHBondContact CB-OD1 3.36Å; P511-D513 PolarHBondContact O-N 3.05Å; P511-E514 HydrophobicContact CB-CB 4.43Å; P511-E514 HydrophobicContact CB-CG 4.23Å; P511-E514 HydrophobicContact CG-CG 4.29Å; P511-E514 PolarHBondContact O-N 2.95Å; P511-F515 WeakPolarHBondContact O-CB 3.39Å; P511-F515 PolarHBondContact O-N 3.37Å
512	V	96	Very high	95	Very high	4 Å²	4	29 Å²	29	2%	0.024	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-35.1	-175.1	64.5	0	0	0	0	112.4	F404 H407 W411 T487 E514 F515 L516	F404-V512 HydrophobicContact CD2-CB 3.84Å; F404-V512 HydrophobicContact CD2-CG2 4.39Å; F404-V512 HydrophobicContact CE2-CB 4.42Å; F404-V512 HydrophobicContact CG-CB 4.44Å; H407-V512 HydrophobicContact CB-CG2 4.15Å; W411-V512 HydrophobicContact CH2-CG2 4.12Å; W411-V512 HydrophobicContact CZ2-CG2 4Å; T487-V512 HydrophobicContact CG2-CG1 4.01Å; T487-V512 HydrophobicContact CG2-CG2 4.37Å; V512-E514 VanDerWaalsContact C-N 3.33Å; V512-F515 PolarHBondContact O-N 3.09Å; V512-L516 HydrophobicContact CG2-CD1 4.23Å; V512-L516 HydrophobicContact CG2-CG 4.37Å; V512-L516 WeakPolarHBondContact O-CG 3.41Å; V512-L516 PolarHBondContact O-N 3.21Å
513	D	92.8	Very high	94.9	Very high	31 Å²	31	26.1 Å²	26.1	17%	0.166	13%	0.13	C	C	.	.	H	α-helix	trans	-79.1	-14.7	-180	62.6	-18.2	0	0	0	113.6	S484 Y485 W486 T487 P511 P517	S484-D513 VanDerWaalsContact O-O 3.05Å; Y485-D513 HydrophobicContact CD1-CB 4.31Å; Y485-D513 WeakPolarHBondContact CD1-OD2 3.45Å; W486-D513 PolarHBondContact N-OD2 3.5Å; W486-D513 VanDerWaalsContact N-OD2 3.08Å; T487-D513 HydrophobicContact CG2-CB 4.26Å; P511-D513 VanDerWaalsContact CB-OD1 3.26Å; P511-D513 WeakPolarHBondContact CB-OD1 3.36Å; P511-D513 PolarHBondContact O-N 3.05Å; D513-P517 WeakPolarHBondContact O-CD 2.78Å; D513-P517 WeakPolarHBondContact O-CG 3.28Å
514	E	94.8	Very high	94.8	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-87	-33.7	164.9	-67.8	-76.9	-163	0	0	110.9	Y387 Y483 Y485 L510 P511 V512 P517 I518 H523	Y387-E514 HydrophobicContact CE2-CG 4.47Å; Y483-E514 PolarHBondContact OH-OE1 3.11Å; Y483-E514 PolarHBondContact OH-OE2 3.28Å; Y485-E514 HydrophobicContact CE1-CG 3.89Å; Y485-E514 VanDerWaalsContact CE1-OE1 3.23Å; Y485-E514 WeakPolarHBondContact CE1-OE1 3.33Å; Y485-E514 VanDerWaalsContact CZ-OE1 3.32Å; Y485-E514 PolarHBondContact OH-OE1 3.21Å; L510-E514 HydrophobicContact CD1-CB 3.18Å; L510-E514 HydrophobicContact CD1-CG 4.44Å; P511-E514 HydrophobicContact CB-CB 4.43Å; P511-E514 HydrophobicContact CB-CG 4.23Å; P511-E514 HydrophobicContact CG-CG 4.29Å; P511-E514 PolarHBondContact O-N 2.95Å; V512-E514 VanDerWaalsContact C-N 3.33Å; E514-P517 WeakPolarHBondContact O-CD 3.47Å; E514-I518 WeakPolarHBondContact O-CG1 3.48Å; E514-I518 PolarHBondContact O-N 2.62Å; E514-H523 PolarHBondContact O-CD2 3.25Å; E514-H523 IonicContact OE2-CD2 2.77Å; E514-H523 PolarHBondContact OE2-CD2 3.43Å; E514-H523 IonicContact OE2-CE1 3.08Å; E514-H523 IonicContact OE2-NE2 3.91Å; E514-H523 PolarHBondContact OE2-NE2 3.13Å
515	F	97	Very high	94.9	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-70.3	-44.8	-177.4	169	-107.6	0	0	0	112.2	F404 W411 L500 V503 P505 L510 P511 V512 I518 M519 F532	F404-F515 HydrophobicContact CE2-CB 3.75Å; F404-F515 AromaticContact CE2-CD1 3.68Å; F404-F515 HydrophobicContact CE2-CD1 3.68Å; F404-F515 HydrophobicContact CE2-CD2 4.43Å; F404-F515 HydrophobicContact CE2-CE1 4.38Å; F404-F515 AromaticContact CE2-CG 3.7Å; F404-F515 HydrophobicContact CE2-CG 3.7Å; F404-F515 AromaticContact CZ-CD1 3.73Å; F404-F515 HydrophobicContact CZ-CD1 3.73Å; F404-F515 AromaticContact CZ-CE1 3.96Å; F404-F515 HydrophobicContact CZ-CE1 3.96Å; F404-F515 HydrophobicContact CZ-CG 4.02Å; F404-F515 HydrophobicContact CZ-CZ 4.46Å; W411-F515 AromaticContact CH2-CD1 3.91Å; W411-F515 HydrophobicContact CH2-CD1 3.91Å; W411-F515 AromaticContact CH2-CE1 3.67Å; W411-F515 HydrophobicContact CH2-CE1 3.67Å; W411-F515 HydrophobicContact CZ3-CD1 4.44Å; W411-F515 AromaticContact CZ3-CE1 3.81Å; W411-F515 HydrophobicContact CZ3-CE1 3.81Å; L500-F515 HydrophobicContact CD2-CE1 3.81Å; L500-F515 HydrophobicContact CD2-CZ 4.29Å; V503-F515 HydrophobicContact CG2-CE2 3.84Å; V503-F515 HydrophobicContact CG2-CZ 3.64Å; P505-F515 HydrophobicContact CB-CD2 4.49Å; P505-F515 HydrophobicContact CB-CE2 3.93Å; P505-F515 HydrophobicContact CB-CZ 4Å; P505-F515 HydrophobicContact CG-CZ 4.39Å; L510-F515 HydrophobicContact CD1-CB 3.83Å; L510-F515 HydrophobicContact CG-CB 4.3Å; P511-F515 WeakPolarHBondContact O-CB 3.39Å; P511-F515 PolarHBondContact O-N 3.37Å; V512-F515 PolarHBondContact O-N 3.09Å; F515-I518 WeakPolarHBondContact O-CB 3.48Å; F515-I518 PolarHBondContact O-N 2.73Å; F515-I518 VanDerWaalsContact O-N 3.14Å; F515-M519 HydrophobicContact CD1-CG 4.42Å; F515-M519 HydrophobicContact CD2-CG 4.16Å; F515-M519 HydrophobicContact CD2-SD 4.5Å; F515-M519 HydrophobicContact CE1-CG 4Å; F515-M519 HydrophobicContact CE2-CG 3.68Å; F515-M519 HydrophobicContact CE2-SD 3.71Å; F515-M519 HydrophobicContact CZ-CG 3.6Å; F515-M519 HydrophobicContact CZ-SD 3.93Å; F515-M519 WeakPolarHBondContact O-CG 3.26Å; F515-M519 PolarHBondContact O-N 2.83Å; F515-M519 VanDerWaalsContact O-N 3.14Å; F515-F532 HydrophobicContact CD2-CD1 4.27Å; F515-F532 AromaticContact CD2-CE1 3.74Å; F515-F532 HydrophobicContact CD2-CE1 3.74Å; F515-F532 HydrophobicContact CD2-CZ 4.08Å; F515-F532 AromaticContact CE2-CD1 3.83Å; F515-F532 HydrophobicContact CE2-CD1 3.83Å; F515-F532 AromaticContact CE2-CE1 3.55Å; F515-F532 HydrophobicContact CE2-CE1 3.55Å; F515-F532 HydrophobicContact CE2-CZ 4.36Å
516	L	97.6	Very high	94.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-49.7	-179.4	-65.9	168.6	0	0	0	111.6	W411 L455 Y457 T487 L500 V512 I518 M519 F520	W411-L516 HydrophobicContact CZ2-CD2 4.22Å; L455-L516 HydrophobicContact CD1-CD1 4.17Å; L455-L516 HydrophobicContact CD1-CD2 3.93Å; Y457-L516 WeakPolarHBondContact OH-CB 3.27Å; T487-L516 HydrophobicContact CG2-CD1 3.59Å; L500-L516 HydrophobicContact CD1-CD2 3.83Å; L500-L516 HydrophobicContact CD2-CD2 3.71Å; L500-L516 HydrophobicContact CG-CD2 4.45Å; V512-L516 HydrophobicContact CG2-CD1 4.23Å; V512-L516 HydrophobicContact CG2-CG 4.37Å; V512-L516 WeakPolarHBondContact O-CG 3.41Å; V512-L516 PolarHBondContact O-N 3.21Å; L516-I518 VanDerWaalsContact C-N 3.26Å; L516-I518 PolarHBondContact O-N 2.95Å; L516-M519 WeakPolarHBondContact O-CA 3.41Å; L516-M519 WeakPolarHBondContact O-CB 3.39Å; L516-M519 PolarHBondContact O-N 2.71Å; L516-F520 VanDerWaalsContact C-CD1 3.47Å; L516-F520 HydrophobicContact CB-CE1 4.15Å; L516-F520 WeakPolarHBondContact O-CD1 3.21Å; L516-F520 WeakPolarHBondContact O-CE1 3.16Å; L516-F520 PolarHBondContact O-N 3.39Å
517	P	96.8	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.6	-31.9	174.2	-26.3	34.3	0	0	0	115.9	Y483 S484 D513 E514 M519 F520 N521 K522 H523	Y483-P517 HydrophobicContact CD2-CB 3.84Å; Y483-P517 HydrophobicContact CD2-CG 4.07Å; Y483-P517 HydrophobicContact CE2-CB 4.3Å; Y483-P517 HydrophobicContact CE2-CG 4.34Å; S484-P517 WeakPolarHBondContact O-CG 3.34Å; D513-P517 WeakPolarHBondContact O-CD 2.78Å; D513-P517 WeakPolarHBondContact O-CG 3.28Å; E514-P517 WeakPolarHBondContact O-CD 3.47Å; P517-M519 VanDerWaalsContact C-N 3.34Å; P517-F520 HydrophobicContact CB-CE1 4.32Å; P517-F520 HydrophobicContact CB-CE2 4.29Å; P517-F520 HydrophobicContact CB-CZ 3.91Å; P517-F520 HydrophobicContact CG-CE1 4.28Å; P517-F520 HydrophobicContact CG-CZ 3.95Å; P517-F520 VanDerWaalsContact N-CE1 3.34Å; P517-N521 PolarHBondContact O-N 3.48Å; P517-K522 PolarHBondContact O-N 2.9Å; P517-H523 HydrophobicContact CB-CB 4.25Å; P517-H523 PolarHBondContact O-N 3.03Å
518	I	97	Very high	94.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-46.5	172.2	-69	170.4	0	0	0	109.5	L510 E514 F515 L516 F520 N521 H523 M529 F532 R535	L510-I518 HydrophobicContact CD1-CD1 3.95Å; L510-I518 HydrophobicContact CD2-CD1 3.73Å; E514-I518 WeakPolarHBondContact O-CG1 3.48Å; E514-I518 PolarHBondContact O-N 2.62Å; F515-I518 WeakPolarHBondContact O-CB 3.48Å; F515-I518 PolarHBondContact O-N 2.73Å; F515-I518 VanDerWaalsContact O-N 3.14Å; L516-I518 VanDerWaalsContact C-N 3.26Å; L516-I518 PolarHBondContact O-N 2.95Å; I518-F520 VanDerWaalsContact C-N 3.27Å; I518-F520 PolarHBondContact O-N 3.14Å; I518-N521 PolarHBondContact O-N 2.96Å; I518-H523 HydrophobicContact CB-CB 4.4Å; I518-H523 HydrophobicContact CG1-CB 3.58Å; I518-M529 HydrophobicContact CB-CG 4.48Å; I518-M529 HydrophobicContact CG1-CG 4.08Å; I518-M529 HydrophobicContact CG2-CB 4.42Å; I518-M529 HydrophobicContact CG2-CG 4.2Å; I518-F532 HydrophobicContact CD1-CD2 4.19Å; I518-F532 HydrophobicContact CD1-CE2 3.99Å; I518-F532 HydrophobicContact CG2-CB 3.75Å; I518-F532 HydrophobicContact CG2-CD2 3.58Å; I518-F532 HydrophobicContact CG2-CE2 4.37Å; I518-F532 HydrophobicContact CG2-CG 3.8Å; I518-R535 HydrophobicContact CG2-CG 4.44Å; I518-R535 VanDerWaalsContact O-CD 3.25Å; I518-R535 WeakPolarHBondContact O-CD 3.15Å; I518-R535 WeakPolarHBondContact O-CG 3.3Å
519	M	97.9	Very high	95	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-25.9	-175.3	-66.2	-51.9	-54.3	0	0	114.3	L500 V503 F515 L516 P517 F532 P534 R535 D536 L537	L500-M519 HydrophobicContact CD2-CB 4.04Å; L500-M519 HydrophobicContact CD2-CG 3.87Å; V503-M519 HydrophobicContact CB-CE 4.35Å; V503-M519 HydrophobicContact CB-SD 4.43Å; V503-M519 HydrophobicContact CG1-CE 3.5Å; V503-M519 VanDerWaalsContact CG1-CE 3.5Å; V503-M519 HydrophobicContact CG1-SD 4.09Å; V503-M519 HydrophobicContact CG2-CE 3.99Å; V503-M519 HydrophobicContact CG2-SD 3.85Å; F515-M519 HydrophobicContact CD1-CG 4.42Å; F515-M519 HydrophobicContact CD2-CG 4.16Å; F515-M519 HydrophobicContact CD2-SD 4.5Å; F515-M519 HydrophobicContact CE1-CG 4Å; F515-M519 HydrophobicContact CE2-CG 3.68Å; F515-M519 HydrophobicContact CE2-SD 3.71Å; F515-M519 HydrophobicContact CZ-CG 3.6Å; F515-M519 HydrophobicContact CZ-SD 3.93Å; F515-M519 WeakPolarHBondContact O-CG 3.26Å; F515-M519 PolarHBondContact O-N 2.83Å; F515-M519 VanDerWaalsContact O-N 3.14Å; L516-M519 WeakPolarHBondContact O-CA 3.41Å; L516-M519 WeakPolarHBondContact O-CB 3.39Å; L516-M519 PolarHBondContact O-N 2.71Å; P517-M519 VanDerWaalsContact C-N 3.34Å; M519-F532 HydrophobicContact SD-CB 4.23Å; M519-F532 HydrophobicContact SD-CD1 4.24Å; M519-F532 HydrophobicContact SD-CG 4.5Å; M519-P534 VanDerWaalsContact CE-O 3.28Å; M519-P534 WeakPolarHBondContact CE-O 3.45Å; M519-R535 CarbonylContact O-C 3.59Å; M519-R535 WeakPolarHBondContact O-CA 3.42Å; M519-D536 PolarHBondContact O-N 3.01Å; M519-L537 HydrophobicContact CB-CB 4.04Å; M519-L537 HydrophobicContact CB-CD2 4.1Å; M519-L537 WeakPolarHBondContact O-CB 3.21Å; M519-L537 PolarHBondContact O-N 3.04Å
520	F	96.8	Very high	95	Very high	16 Å²	16	35 Å²	35	7%	0.07	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	19.6	171.7	59.1	-99.5	0	0	0	113.9	Y457 A481 L516 P517 I518 K522 L537 A539	Y457-F520 HydrophobicContact CE2-CE1 4Å; Y457-F520 AromaticContact CE2-CZ 4Å; Y457-F520 HydrophobicContact CE2-CZ 4Å; A481-F520 HydrophobicContact CB-CE2 4.26Å; A481-F520 HydrophobicContact CB-CZ 4.42Å; L516-F520 VanDerWaalsContact C-CD1 3.47Å; L516-F520 HydrophobicContact CB-CE1 4.15Å; L516-F520 WeakPolarHBondContact O-CD1 3.21Å; L516-F520 WeakPolarHBondContact O-CE1 3.16Å; L516-F520 PolarHBondContact O-N 3.39Å; P517-F520 HydrophobicContact CB-CE1 4.32Å; P517-F520 HydrophobicContact CB-CE2 4.29Å; P517-F520 HydrophobicContact CB-CZ 3.91Å; P517-F520 HydrophobicContact CG-CE1 4.28Å; P517-F520 HydrophobicContact CG-CZ 3.95Å; P517-F520 VanDerWaalsContact N-CE1 3.34Å; I518-F520 VanDerWaalsContact C-N 3.27Å; I518-F520 PolarHBondContact O-N 3.14Å; F520-K522 HydrophobicContact CD2-CB 3.64Å; F520-K522 HydrophobicContact CD2-CG 3.49Å; F520-K522 VanDerWaalsContact CD2-CG 3.49Å; F520-K522 HydrophobicContact CE2-CB 3.56Å; F520-K522 HydrophobicContact CE2-CG 3.77Å; F520-K522 PolarHBondContact O-N 3.44Å; F520-L537 WeakPolarHBondContact CA-O 3.25Å; F520-L537 HydrophobicContact CB-CB 4.11Å; F520-L537 WeakPolarHBondContact CB-O 3.43Å; F520-L537 HydrophobicContact CD1-CD2 4.16Å; F520-A539 HydrophobicContact CB-CB 3.67Å; F520-A539 HydrophobicContact CD1-CB 3.37Å; F520-A539 HydrophobicContact CD2-CB 3.89Å; F520-A539 HydrophobicContact CE1-CB 3.83Å; F520-A539 HydrophobicContact CE2-CB 4.31Å; F520-A539 HydrophobicContact CG-CB 3.41Å; F520-A539 VanDerWaalsContact CG-CB 3.41Å; F520-A539 HydrophobicContact CZ-CB 4.28Å
521	N	96.4	Very high	95	Very high	84 Å²	84	38.5 Å²	38.5	45%	0.449	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	34.5	169.7	-156.9	65.6	0	0	0	115.2	P517 I518 M529 R535	P517-N521 PolarHBondContact O-N 3.48Å; I518-N521 PolarHBondContact O-N 2.96Å; N521-M529 HydrophobicContact CB-CE 4.2Å; N521-M529 WeakPolarHBondContact OD1-CE 3.45Å; N521-R535 HydrophobicContact CB-CB 4.3Å; N521-R535 PolarHBondContact OD1-NE 3.22Å
522	K	94.9	Very high	95	Very high	82 Å²	82	38.3 Å²	38.3	36%	0.357	21%	0.206	S	C	.	.			trans	-122.4	16	179.7	-64.2	-71.5	-171.9	171	0	113.8	Y483 P517 F520	Y483-K522 WeakPolarHBondContact CB-O 3.35Å; P517-K522 PolarHBondContact O-N 2.9Å; F520-K522 HydrophobicContact CD2-CB 3.64Å; F520-K522 HydrophobicContact CD2-CG 3.49Å; F520-K522 VanDerWaalsContact CD2-CG 3.49Å; F520-K522 HydrophobicContact CE2-CB 3.56Å; F520-K522 HydrophobicContact CE2-CG 3.77Å; F520-K522 PolarHBondContact O-N 3.44Å
523	H	94.5	Very high	94.9	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.056	23%	0.231	C	C	.	.			trans	-80.8	138	177.7	-170.9	-78.5	0	0	0	111.2	Y483 E514 P517 I518 N525 Y528 M529	Y483-H523 AromaticContact CE2-CD2 3.83Å; E514-H523 PolarHBondContact O-CD2 3.25Å; E514-H523 IonicContact OE2-CD2 2.77Å; E514-H523 PolarHBondContact OE2-CD2 3.43Å; E514-H523 IonicContact OE2-CE1 3.08Å; E514-H523 IonicContact OE2-NE2 3.91Å; E514-H523 PolarHBondContact OE2-NE2 3.13Å; P517-H523 HydrophobicContact CB-CB 4.25Å; P517-H523 PolarHBondContact O-N 3.03Å; I518-H523 HydrophobicContact CB-CB 4.4Å; I518-H523 HydrophobicContact CG1-CB 3.58Å; H523-N525 WeakPolarHBondContact CE1-CB 3.4Å; H523-N525 PolarHBondContact CE1-N 2.6Å; H523-N525 WeakPolarHBondContact ND1-CB 3.17Å; H523-N525 PolarHBondContact ND1-N 3.36Å; H523-N525 PolarHBondContact ND1-O 3.44Å; H523-N525 PolarHBondContact O-N 2.85Å; H523-Y528 AromaticContact CE1-CD2 3.42Å; H523-Y528 VanDerWaalsContact CE1-CD2 3.42Å; H523-Y528 WeakPolarHBondContact CE1-CD2 3.2Å; H523-Y528 AromaticContact NE2-CD2 3.88Å; H523-M529 HydrophobicContact CB-CG 3.8Å; H523-M529 HydrophobicContact CB-SD 3.89Å
524	P	92.4	Very high	95	Very high	89 Å²	89	45.8 Å²	45.8	58%	0.578	25%	0.246	S	C	*	.	S	Bend	trans	-72.5	-26.2	-176.4	27.3	-35.5	0	0	0	113.7	Y483 V526	Y483-P524 HydrophobicContact CD1-CG 4.08Å; Y483-P524 VanDerWaalsContact CD2-CD 3.42Å; Y483-P524 HydrophobicContact CD2-CG 4.37Å; Y483-P524 HydrophobicContact CE1-CG 3.81Å; Y483-P524 HydrophobicContact CE2-CG 4.09Å; Y483-P524 HydrophobicContact CG-CG 4.36Å; P524-V526 PolarHBondContact O-N 3.31Å
525	N	92.9	Very high	95.1	Very high	44 Å²	44	48.4 Å²	48.4	24%	0.235	26%	0.256	C	S	.	.			trans	-89.1	104.5	177.4	-165.6	-29.2	0	0	0	111.9	H523 Q527 Y528 M529	H523-N525 WeakPolarHBondContact CE1-CB 3.4Å; H523-N525 PolarHBondContact CE1-N 2.6Å; H523-N525 WeakPolarHBondContact ND1-CB 3.17Å; H523-N525 PolarHBondContact ND1-N 3.36Å; H523-N525 PolarHBondContact ND1-O 3.44Å; H523-N525 PolarHBondContact O-N 2.85Å; N525-Q527 VanDerWaalsContact C-N 3.28Å; N525-Q527 PolarHBondContact O-N 2.8Å; N525-Q527 VanDerWaalsContact OD1-CB 3.3Å; N525-Q527 WeakPolarHBondContact OD1-CB 3.21Å; N525-Q527 PolarHBondContact OD1-N 3.39Å; N525-Y528 HydrophobicContact CB-CD1 4.42Å; N525-Y528 HydrophobicContact CB-CD2 3.69Å; N525-Y528 HydrophobicContact CB-CE2 4.06Å; N525-Y528 HydrophobicContact CB-CG 3.86Å; N525-Y528 WeakPolarHBondContact ND2-CD1 3.49Å; N525-Y528 WeakPolarHBondContact ND2-CE1 3.26Å; N525-Y528 WeakPolarHBondContact ND2-CE2 3.16Å; N525-Y528 PolarHBondContact O-N 2.77Å; N525-Y528 PolarHBondContact OD1-N 3.03Å; N525-M529 WeakPolarHBondContact O-CG 3.21Å; N525-M529 PolarHBondContact O-N 2.96Å
526	V	92.8	Very high	95.1	Very high	110 Å²	110	52 Å²	52	67%	0.667	28%	0.275	S	S	*	.	H	α-helix	trans	-64.8	-28.5	177.9	-60.1	0	0	0	0	113.5	P524 M529 S530	P524-V526 PolarHBondContact O-N 3.31Å; V526-M529 PolarHBondContact O-N 3.31Å; V526-S530 PolarHBondContact O-N 3.4Å; V526-S530 VanDerWaalsContact O-N 3.11Å
527	Q	93	Very high	95.1	Very high	135 Å²	135	52.4 Å²	52.4	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-67.3	-44.4	177.8	-62.6	179.6	-13.8	0	0	109.7	N525 M529 S530 H531	N525-Q527 VanDerWaalsContact C-N 3.28Å; N525-Q527 PolarHBondContact O-N 2.8Å; N525-Q527 VanDerWaalsContact OD1-CB 3.3Å; N525-Q527 WeakPolarHBondContact OD1-CB 3.21Å; N525-Q527 PolarHBondContact OD1-N 3.39Å; Q527-M529 VanDerWaalsContact C-N 3.32Å; Q527-M529 PolarHBondContact O-N 2.94Å; Q527-S530 WeakPolarHBondContact O-CB 3.36Å; Q527-S530 PolarHBondContact O-N 3.49Å; Q527-S530 PolarHBondContact O-OG 3.49Å; Q527-H531 PolarHBondContact O-CD2 2.96Å
528	Y	93.9	Very high	95.2	Very high	21 Å²	21	56.4 Å²	56.4	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-43.6	177.5	-60.2	-8.8	0	0	0	111.3	L384 Y387 K388 H523 N525 S530 H531 F532	L384-Y528 HydrophobicContact CD2-CD1 3.58Å; L384-Y528 HydrophobicContact CD2-CD2 4.45Å; L384-Y528 HydrophobicContact CD2-CE1 4.3Å; L384-Y528 HydrophobicContact CD2-CG 3.69Å; Y387-Y528 HydrophobicContact CD2-CD2 4.48Å; Y387-Y528 AromaticContact CD2-CE2 3.87Å; Y387-Y528 HydrophobicContact CD2-CE2 3.87Å; Y387-Y528 HydrophobicContact CE2-CE2 4.35Å; K388-Y528 PolarHBondContact N-OH 2.83Å; K388-Y528 PolarHBondContact O-OH 3.36Å; H523-Y528 AromaticContact CE1-CD2 3.42Å; H523-Y528 VanDerWaalsContact CE1-CD2 3.42Å; H523-Y528 WeakPolarHBondContact CE1-CD2 3.2Å; H523-Y528 AromaticContact NE2-CD2 3.88Å; N525-Y528 HydrophobicContact CB-CD1 4.42Å; N525-Y528 HydrophobicContact CB-CD2 3.69Å; N525-Y528 HydrophobicContact CB-CE2 4.06Å; N525-Y528 HydrophobicContact CB-CG 3.86Å; N525-Y528 WeakPolarHBondContact ND2-CD1 3.49Å; N525-Y528 WeakPolarHBondContact ND2-CE1 3.26Å; N525-Y528 WeakPolarHBondContact ND2-CE2 3.16Å; N525-Y528 PolarHBondContact O-N 2.77Å; N525-Y528 PolarHBondContact OD1-N 3.03Å; Y528-S530 VanDerWaalsContact C-N 3.27Å; Y528-S530 PolarHBondContact O-N 2.91Å; Y528-H531 PolarHBondContact O-N 3.17Å; Y528-F532 WeakPolarHBondContact O-CD2 3.23Å
529	M	94.3	Very high	95.2	Very high	18 Å²	18	57 Å²	57	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-34.7	178.3	-66.1	173.3	65.7	0	0	113.3	I518 N521 H523 N525 V526 Q527 H531 F532 R535	I518-M529 HydrophobicContact CB-CG 4.48Å; I518-M529 HydrophobicContact CG1-CG 4.08Å; I518-M529 HydrophobicContact CG2-CB 4.42Å; I518-M529 HydrophobicContact CG2-CG 4.2Å; N521-M529 HydrophobicContact CB-CE 4.2Å; N521-M529 WeakPolarHBondContact OD1-CE 3.45Å; H523-M529 HydrophobicContact CB-CG 3.8Å; H523-M529 HydrophobicContact CB-SD 3.89Å; N525-M529 WeakPolarHBondContact O-CG 3.21Å; N525-M529 PolarHBondContact O-N 2.96Å; V526-M529 PolarHBondContact O-N 3.31Å; Q527-M529 VanDerWaalsContact C-N 3.32Å; Q527-M529 PolarHBondContact O-N 2.94Å; M529-H531 PolarHBondContact O-N 2.98Å; M529-H531 VanDerWaalsContact O-N 3.08Å; M529-F532 PolarHBondContact O-N 2.63Å; M529-R535 PolarHBondContact O-NH1 2.98Å
530	S	94.4	Very high	95.3	Very high	81 Å²	81	57.9 Å²	57.9	57%	0.566	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.3	-177.5	75.7	0	0	0	0	114.4	V526 Q527 Y528	V526-S530 PolarHBondContact O-N 3.4Å; V526-S530 VanDerWaalsContact O-N 3.11Å; Q527-S530 WeakPolarHBondContact O-CB 3.36Å; Q527-S530 PolarHBondContact O-N 3.49Å; Q527-S530 PolarHBondContact O-OG 3.49Å; Y528-S530 VanDerWaalsContact C-N 3.27Å; Y528-S530 PolarHBondContact O-N 2.91Å
531	H	94.4	Very high	95.3	Very high	75 Å²	75	57.1 Å²	57.1	35%	0.347	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.5	177	-67.8	-86.8	0	0	0	113.9	L384 K508 Q527 Y528 M529	L384-H531 HydrophobicContact CD1-CB 3.55Å; K508-H531 HydrophobicContact CD-CB 4.27Å; K508-H531 WeakPolarHBondContact CD-O 3.43Å; K508-H531 WeakPolarHBondContact CE-O 3.33Å; K508-H531 PolarHBondContact NZ-O 3.28Å; Q527-H531 PolarHBondContact O-CD2 2.96Å; Y528-H531 PolarHBondContact O-N 3.17Å; M529-H531 PolarHBondContact O-N 2.98Å; M529-H531 VanDerWaalsContact O-N 3.08Å
532	F	95	Very high	95.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.			trans	-121.2	124.2	-175.2	-62.3	-90.3	0	0	0	110.7	L384 V503 K508 L510 F515 I518 M519 Y528 M529 R535	L384-F532 HydrophobicContact CD1-CE2 3.87Å; L384-F532 HydrophobicContact CD1-CZ 4.32Å; V503-F532 HydrophobicContact CB-CD1 4.45Å; V503-F532 HydrophobicContact CG2-CD1 4.39Å; K508-F532 HydrophobicContact CB-CZ 4.39Å; K508-F532 HydrophobicContact CD-CD1 4.11Å; K508-F532 HydrophobicContact CD-CE1 3.74Å; K508-F532 HydrophobicContact CD-CE2 4.47Å; K508-F532 HydrophobicContact CD-CZ 3.96Å; K508-F532 HydrophobicContact CG-CE1 3.79Å; K508-F532 HydrophobicContact CG-CZ 3.84Å; K508-F532 WeakPolarHBondContact O-CZ 3.49Å; L510-F532 HydrophobicContact CD2-CE2 3.6Å; L510-F532 HydrophobicContact CD2-CZ 3.65Å; F515-F532 HydrophobicContact CD2-CD1 4.27Å; F515-F532 AromaticContact CD2-CE1 3.74Å; F515-F532 HydrophobicContact CD2-CE1 3.74Å; F515-F532 HydrophobicContact CD2-CZ 4.08Å; F515-F532 AromaticContact CE2-CD1 3.83Å; F515-F532 HydrophobicContact CE2-CD1 3.83Å; F515-F532 AromaticContact CE2-CE1 3.55Å; F515-F532 HydrophobicContact CE2-CE1 3.55Å; F515-F532 HydrophobicContact CE2-CZ 4.36Å; I518-F532 HydrophobicContact CD1-CD2 4.19Å; I518-F532 HydrophobicContact CD1-CE2 3.99Å; I518-F532 HydrophobicContact CG2-CB 3.75Å; I518-F532 HydrophobicContact CG2-CD2 3.58Å; I518-F532 HydrophobicContact CG2-CE2 4.37Å; I518-F532 HydrophobicContact CG2-CG 3.8Å; M519-F532 HydrophobicContact SD-CB 4.23Å; M519-F532 HydrophobicContact SD-CD1 4.24Å; M519-F532 HydrophobicContact SD-CG 4.5Å; Y528-F532 WeakPolarHBondContact O-CD2 3.23Å; M529-F532 PolarHBondContact O-N 2.63Å; F532-R535 HydrophobicContact CB-CG 4.33Å; F532-R535 WeakPolarHBondContact O-CG 3.39Å; F532-R535 PolarHBondContact O-NH1 3.1Å
533	E	92.6	Very high	95.4	Very high	118 Å²	118	53 Å²	53	55%	0.551	28%	0.28	S	S	*	.			trans	-147.2	144	169.6	-72.7	-66.3	177.3	0	0	109	R535	E533-R535 IonicContact OE1-CZ 3.66Å; E533-R535 IonicContact OE1-NH1 2.66Å; E533-R535 PolarHBondContact OE1-NH1 3.3Å; E533-R535 IonicContact OE1-NH2 2.88Å; E533-R535 PolarHBondContact OE1-NH2 3.21Å; E533-R535 IonicContact OE2-CZ 3.56Å; E533-R535 PolarHBondContact OE2-N 2.8Å; E533-R535 IonicContact OE2-NH1 3.8Å; E533-R535 IonicContact OE2-NH2 3.83Å
534	P	95.7	Very high	95.3	Very high	75 Å²	75	54.8 Å²	54.8	49%	0.487	29%	0.292	S	S	.	.			cis	-74	146.9	-7.7	31.6	-34.3	0	0	0	112.5	M519 D536	M519-P534 VanDerWaalsContact CE-O 3.28Å; M519-P534 WeakPolarHBondContact CE-O 3.45Å; P534-D536 HydrophobicContact CB-CB 4.49Å
535	R	96.1	Very high	95.5	Very high	55 Å²	55	51.5 Å²	51.5	21%	0.208	27%	0.269	C	S	.	.			trans	-101.7	56.7	172.4	-61.6	-178	-59.8	-74.8	-18.5	111.6	I518 M519 N521 M529 F532 E533	I518-R535 HydrophobicContact CG2-CG 4.44Å; I518-R535 VanDerWaalsContact O-CD 3.25Å; I518-R535 WeakPolarHBondContact O-CD 3.15Å; I518-R535 WeakPolarHBondContact O-CG 3.3Å; M519-R535 CarbonylContact O-C 3.59Å; M519-R535 WeakPolarHBondContact O-CA 3.42Å; N521-R535 HydrophobicContact CB-CB 4.3Å; N521-R535 PolarHBondContact OD1-NE 3.22Å; M529-R535 PolarHBondContact O-NH1 2.98Å; F532-R535 HydrophobicContact CB-CG 4.33Å; F532-R535 WeakPolarHBondContact O-CG 3.39Å; F532-R535 PolarHBondContact O-NH1 3.1Å; E533-R535 IonicContact OE1-CZ 3.66Å; E533-R535 IonicContact OE1-NH1 2.66Å; E533-R535 PolarHBondContact OE1-NH1 3.3Å; E533-R535 IonicContact OE1-NH2 2.88Å; E533-R535 PolarHBondContact OE1-NH2 3.21Å; E533-R535 IonicContact OE2-CZ 3.56Å; E533-R535 PolarHBondContact OE2-N 2.8Å; E533-R535 IonicContact OE2-NH1 3.8Å; E533-R535 IonicContact OE2-NH2 3.83Å
536	D	97	Very high	95.6	Very high	77 Å²	77	49.4 Å²	49.4	41%	0.412	26%	0.258	S	S	.	.			trans	-110.3	21.6	-171.1	73.5	-31.5	0	0	0	113.8	K499 M519 P534 K538	K499-D536 WeakPolarHBondContact CE-OD2 3.49Å; K499-D536 PolarHBondContact NZ-O 3.42Å; K499-D536 IonicContact NZ-OD2 3.48Å; M519-D536 PolarHBondContact O-N 3.01Å; P534-D536 HydrophobicContact CB-CB 4.49Å; D536-K538 PolarHBondContact O-N 3.26Å
537	L	98.2	Very high	95.7	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.042	23%	0.226	C	C	.	.			trans	-68.7	126.5	175.2	-163.8	82.3	0	0	0	109.8	D454 L455 K499 L500 M519 F520 A539	D454-L537 HydrophobicContact CB-CD1 3.52Å; D454-L537 HydrophobicContact CB-CG 3.82Å; L455-L537 HydrophobicContact CB-CD2 4.27Å; L455-L537 HydrophobicContact CD1-CD2 4.44Å; K499-L537 HydrophobicContact CB-CD1 4.12Å; K499-L537 HydrophobicContact CD-CD1 4.23Å; L500-L537 HydrophobicContact CD2-CD1 4.08Å; L500-L537 HydrophobicContact CD2-CD2 3.94Å; L500-L537 HydrophobicContact CG-CD1 4.12Å; M519-L537 HydrophobicContact CB-CB 4.04Å; M519-L537 HydrophobicContact CB-CD2 4.1Å; M519-L537 WeakPolarHBondContact O-CB 3.21Å; M519-L537 PolarHBondContact O-N 3.04Å; F520-L537 WeakPolarHBondContact CA-O 3.25Å; F520-L537 HydrophobicContact CB-CB 4.11Å; F520-L537 WeakPolarHBondContact CB-O 3.43Å; F520-L537 HydrophobicContact CD1-CD2 4.16Å; L537-A539 PolarHBondContact O-N 3.27Å
538	K	98.5	Very high	95.8	Very high	85 Å²	85	39.4 Å²	39.4	37%	0.37	20%	0.203	S	C	.	.			trans	-89.8	97.7	176.9	-63.1	-177.7	179.1	-176.4	0	109.8	D452 D454 L455 D536 F540	D452-K538 HydrophobicContact CB-CD 4.27Å; D452-K538 VanDerWaalsContact CG-NZ 3.32Å; D452-K538 VanDerWaalsContact O-CD 3.27Å; D452-K538 WeakPolarHBondContact O-CD 3.38Å; D452-K538 IonicContact OD2-NZ 2.59Å; D452-K538 PolarHBondContact OD2-NZ 2.87Å; D454-K538 HydrophobicContact CB-CB 4.42Å; D454-K538 PolarHBondContact N-O 2.68Å; D454-K538 PolarHBondContact OD2-N 3.17Å; L455-K538 PolarHBondContact N-O 3.44Å; L455-K538 VanDerWaalsContact N-O 3.12Å; D536-K538 PolarHBondContact O-N 3.26Å; K538-F540 HydrophobicContact CB-CE2 4.26Å
539	A	98.3	Very high	95.6	Very high	11 Å²	11	38.9 Å²	38.9	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.4	-175.5	0	0	0	0	0	112.9	L455 A481 F520 L537	L455-A539 HydrophobicContact CD2-CB 4.33Å; L455-A539 CarbonylContact O-C 3.58Å; L455-A539 VanDerWaalsContact O-CA 3.32Å; L455-A539 WeakPolarHBondContact O-CA 3.26Å; A481-A539 HydrophobicContact CB-CB 4.05Å; A481-A539 PolarHBondContact N-O 2.93Å; A481-A539 VanDerWaalsContact N-O 3.08Å; F520-A539 HydrophobicContact CB-CB 3.67Å; F520-A539 HydrophobicContact CD1-CB 3.37Å; F520-A539 HydrophobicContact CD2-CB 3.89Å; F520-A539 HydrophobicContact CE1-CB 3.83Å; F520-A539 HydrophobicContact CE2-CB 4.31Å; F520-A539 HydrophobicContact CG-CB 3.41Å; F520-A539 VanDerWaalsContact CG-CB 3.41Å; F520-A539 HydrophobicContact CZ-CB 4.28Å; L537-A539 PolarHBondContact O-N 3.27Å
540	F	98.6	Very high	95.2	Very high	20 Å²	20	39.2 Å²	39.2	9%	0.088	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	173	175.4	-56.9	-84.6	0	0	0	110.5	L451 W453 L455 I456 Y457 V472 L478 V479 E480 K538	L451-F540 HydrophobicContact CD1-CE1 4.38Å; L451-F540 HydrophobicContact CD1-CE2 4.44Å; L451-F540 HydrophobicContact CD1-CZ 3.87Å; L451-F540 HydrophobicContact CD2-CD2 4.25Å; L451-F540 HydrophobicContact CD2-CE1 4.28Å; L451-F540 HydrophobicContact CD2-CE2 3.97Å; L451-F540 HydrophobicContact CD2-CZ 3.99Å; L451-F540 HydrophobicContact CG-CE2 4.22Å; L451-F540 HydrophobicContact CG-CZ 4.14Å; W453-F540 HydrophobicContact CB-CD2 3.75Å; W453-F540 HydrophobicContact CB-CE2 3.66Å; L455-F540 PolarHBondContact O-N 3.46Å; I456-F540 CarbonylContact C-O 3.46Å; I456-F540 WeakPolarHBondContact CA-O 2.95Å; I456-F540 HydrophobicContact CG1-CB 4.24Å; Y457-F540 PolarHBondContact N-O 3.38Å; V472-F540 HydrophobicContact CG2-CD1 3.44Å; V472-F540 VanDerWaalsContact CG2-CD1 3.44Å; V472-F540 HydrophobicContact CG2-CE1 3.63Å; L478-F540 HydrophobicContact CD1-CB 3.95Å; L478-F540 HydrophobicContact CD2-CB 4.14Å; L478-F540 HydrophobicContact CD2-CD1 4.33Å; L478-F540 HydrophobicContact CD2-CG 4.21Å; L478-F540 HydrophobicContact CG-CB 4.04Å; V479-F540 CarbonylContact O-C 3.58Å; V479-F540 VanDerWaalsContact O-CA 3.25Å; V479-F540 WeakPolarHBondContact O-CA 2.89Å; V479-F540 WeakPolarHBondContact O-CB 3.35Å; E480-F540 HydrophobicContact CG-CD1 4.41Å; E480-F540 HydrophobicContact CG-CE1 4.22Å; K538-F540 HydrophobicContact CB-CE2 4.26Å
541	S	98.2	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.5	174.3	-176.7	0	0	0	0	109.5	Y457 R460 L478 V479	Y457-S541 WeakPolarHBondContact O-CA 3.35Å; R460-S541 PolarHBondContact NE-OG 2.89Å; R460-S541 VanDerWaalsContact NH2-CB 3.32Å; R460-S541 PolarHBondContact NH2-OG 3.43Å; L478-S541 WeakPolarHBondContact CD1-O 3.47Å; V479-S541 WeakPolarHBondContact CG2-O 3.15Å; V479-S541 PolarHBondContact N-O 2.86Å; V479-S541 PolarHBondContact O-N 3.38Å
542	V	97.9	Very high	93.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	143.9	165.8	-52.2	0	0	0	0	109.4	I442 I456 Y457 N477 L545 L546	I442-V542 HydrophobicContact CD1-CB 3.98Å; I442-V542 HydrophobicContact CD1-CG1 3.83Å; I442-V542 HydrophobicContact CG2-CG1 4.36Å; I456-V542 HydrophobicContact CG2-CG1 3.97Å; Y457-V542 PolarHBondContact O-N 2.87Å; N477-V542 CarbonylContact O-C 3.57Å; N477-V542 WeakPolarHBondContact O-CA 3.49Å; V542-L545 HydrophobicContact CG2-CD2 4.4Å; V542-L546 HydrophobicContact CG2-CB 4.41Å; V542-L546 HydrophobicContact CG2-CD1 4.33Å; V542-L546 HydrophobicContact CG2-CG 3.88Å
543	E	93.8	Very high	92.3	Very high	80 Å²	80	37.4 Å²	37.4	37%	0.374	19%	0.187	S	C	.	.	S	Bend	trans	-142	118.2	179.4	-177	64.6	-165.7	0	0	110.5	N477 V479	N477-E543 VanDerWaalsContact CA-O 3.24Å; N477-E543 WeakPolarHBondContact CA-O 3.38Å; N477-E543 WeakPolarHBondContact CB-O 3.18Å; N477-E543 PolarHBondContact ND2-O 3.42Å; N477-E543 PolarHBondContact O-N 2.71Å; V479-E543 HydrophobicContact CG1-CB 3.83Å; V479-E543 HydrophobicContact CG1-CG 4.22Å; V479-E543 HydrophobicContact CG2-CB 4.13Å
544	P	94.1	Very high	90.8	Very high	48 Å²	48	34 Å²	34	31%	0.312	18%	0.184	S	C	.	.	S	Bend	cis	-72.7	155.6	-2.2	27.8	-29	0	0	0	111.8	R438	R438-P544 PolarHBondContact NH2-O 2.71Å
545	L	95.4	Very high	89.4	Confident	20 Å²	20	33 Å²	33	11%	0.105	17%	0.172	C	C	.	.			trans	-50.1	149.2	177.4	-63.7	175.1	0	0	0	112.2	R460 V542 Y548	R460-L545 HydrophobicContact CG-CD2 3.98Å; R460-L545 WeakPolarHBondContact O-CD1 3.44Å; V542-L545 HydrophobicContact CG2-CD2 4.4Å; L545-Y548 HydrophobicContact CB-CE1 4.23Å; L545-Y548 HydrophobicContact CB-CE2 4.13Å; L545-Y548 HydrophobicContact CD1-CE1 4.16Å
546	L	95.9	Very high	88.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-106.1	-15.4	-179.5	-61.3	-178.8	0	0	0	112.8	E432 F435 R438 L439 I442 V458 V542	E432-L546 WeakPolarHBondContact CB-O 3.41Å; E432-L546 PolarHBondContact N-O 3.11Å; F435-L546 HydrophobicContact CD2-CB 3.76Å; F435-L546 HydrophobicContact CD2-CD1 4.47Å; F435-L546 HydrophobicContact CE2-CB 4.03Å; R438-L546 HydrophobicContact CB-CD1 4.24Å; R438-L546 HydrophobicContact CB-CD2 3.83Å; R438-L546 VanDerWaalsContact NH2-CD2 3.25Å; L439-L546 HydrophobicContact CB-CD1 3.8Å; L439-L546 HydrophobicContact CD1-CD1 4.22Å; I442-L546 HydrophobicContact CD1-CD1 4.38Å; V458-L546 HydrophobicContact CG1-CB 3.84Å; V458-L546 HydrophobicContact CG1-CD1 4.35Å; V458-L546 PolarHBondContact O-N 3.41Å; V542-L546 HydrophobicContact CG2-CB 4.41Å; V542-L546 HydrophobicContact CG2-CD1 4.33Å; V542-L546 HydrophobicContact CG2-CG 3.88Å
547	L	95.3	Very high	86.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.9	178.8	-67.1	167.8	0	0	0	110.2	L425 V429 R430 F431 F435 V458 G459 A489	L425-L547 HydrophobicContact CD2-CD1 3.82Å; L425-L547 HydrophobicContact CG-CD1 4.5Å; V429-L547 HydrophobicContact CB-CD2 4.42Å; V429-L547 HydrophobicContact CG2-CD2 4.18Å; R430-L547 WeakPolarHBondContact O-CA 3.13Å; R430-L547 WeakPolarHBondContact O-CD2 3.42Å; F431-L547 HydrophobicContact CB-CD2 4.18Å; F431-L547 HydrophobicContact CD1-CD2 3.37Å; F431-L547 HydrophobicContact CD2-CD2 4.11Å; F431-L547 HydrophobicContact CE1-CD2 3.65Å; F431-L547 HydrophobicContact CE2-CD2 4.35Å; F431-L547 HydrophobicContact CG-CD2 3.61Å; F431-L547 HydrophobicContact CZ-CD2 4.13Å; F435-L547 HydrophobicContact CD2-CD2 4.19Å; F435-L547 HydrophobicContact CD2-CG 4.21Å; F435-L547 HydrophobicContact CE2-CD1 3.76Å; F435-L547 HydrophobicContact CE2-CD2 4.01Å; F435-L547 HydrophobicContact CE2-CG 3.75Å; F435-L547 HydrophobicContact CZ-CD1 4.21Å; V458-L547 HydrophobicContact CB-CD1 4.36Å; V458-L547 HydrophobicContact CG1-CD1 3.74Å; V458-L547 HydrophobicContact CG1-CG 4.09Å; V458-L547 PolarHBondContact O-N 2.85Å; G459-L547 VanDerWaalsContact CA-O 3.25Å; G459-L547 WeakPolarHBondContact CA-O 3.41Å; A489-L547 HydrophobicContact CB-CD1 3.25Å; A489-L547 HydrophobicContact CB-CG 4.46Å
548	Y	93.3	Very high	85.5	Confident	36 Å²	36	37 Å²	37	14%	0.141	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.1	178.9	-70.4	-85.3	0	0	0	109.2	V429 R430 E432 L545 Y552	V429-Y548 CarbonylContact C-O 3.57Å; V429-Y548 VanDerWaalsContact CA-O 3.29Å; V429-Y548 WeakPolarHBondContact CA-O 3.2Å; R430-Y548 WeakPolarHBondContact CG-O 3.35Å; R430-Y548 PolarHBondContact N-O 3.48Å; R430-Y548 PolarHBondContact O-N 3.27Å; R430-Y548 VanDerWaalsContact O-N 3.15Å; E432-Y548 HydrophobicContact CG-CD2 3.81Å; E432-Y548 HydrophobicContact CG-CE2 3.61Å; L545-Y548 HydrophobicContact CB-CE1 4.23Å; L545-Y548 HydrophobicContact CB-CE2 4.13Å; L545-Y548 HydrophobicContact CD1-CE1 4.16Å; Y548-Y552 WeakPolarHBondContact CD1-OH 3.32Å
549	P	90.6	Very high	84.3	Confident	10 Å²	10	37.2 Å²	37.2	7%	0.065	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	150.6	172.5	32.5	-35.3	0	0	0	109.6	W486 L488 H551 Y552	W486-P549 HydrophobicContact CE3-CG 4.41Å; W486-P549 HydrophobicContact CH2-CG 4.37Å; W486-P549 HydrophobicContact CZ3-CG 3.79Å; L488-P549 HydrophobicContact CD1-CB 4.39Å; L488-P549 HydrophobicContact CD1-CG 4.46Å; L488-P549 HydrophobicContact CD2-CB 4.26Å; P549-H551 VanDerWaalsContact C-N 3.27Å; P549-H551 PolarHBondContact O-N 2.76Å; P549-Y552 HydrophobicContact CG-CD1 3.93Å; P549-Y552 HydrophobicContact CG-CE1 3.65Å; P549-Y552 HydrophobicContact CG-CE2 4.27Å; P549-Y552 HydrophobicContact CG-CG 4.35Å
550	T	85	Confident	83.2	Confident	24 Å²	24	37.3 Å²	37.3	15%	0.147	22%	0.218	C	C	.	.	S	Bend	trans	-63	-36.7	172.5	49.8	0	0	0	0	111.8	I309 R348 D428 R430	I309-T550 HydrophobicContact CD1-CG2 4.22Å; I309-T550 HydrophobicContact CG1-CG2 4.18Å; I309-T550 HydrophobicContact CG2-CG2 4.15Å; R348-T550 VanDerWaalsContact NH1-CG2 3.31Å; D428-T550 WeakPolarHBondContact O-CG2 3.42Å; D428-T550 PolarHBondContact O-N 3.27Å; D428-T550 PolarHBondContact O-OG1 3.2Å; R430-T550 HydrophobicContact CB-CG2 4.38Å
551	H	80	Confident	82.4	Confident	46 Å²	46	37.2 Å²	37.2	21%	0.213	22%	0.218	C	C	.	.	S	Bend	trans	-137.4	141.1	179.5	-59.3	78.3	0	0	0	109.6	P549 P556 Y558	P549-H551 VanDerWaalsContact C-N 3.27Å; P549-H551 PolarHBondContact O-N 2.76Å; H551-P556 PolarHBondContact CD2-O 2.87Å; H551-P556 VanDerWaalsContact CD2-O 3.3Å; H551-Y558 HydrophobicContact CB-CD2 4.23Å
552	Y	78.9	Confident	81.2	Confident	55 Å²	55	39.5 Å²	39.5	22%	0.216	23%	0.232	C	C	.	.			trans	-88.3	155.5	172.2	-66	-91.9	0	0	0	111.3	W486 Y548 P549 G554 E555 Y558	W486-Y552 AromaticContact CH2-CD1 3.88Å; W486-Y552 HydrophobicContact CH2-CD1 3.88Å; W486-Y552 HydrophobicContact CH2-CE1 4.27Å; W486-Y552 HydrophobicContact CZ3-CD1 4.21Å; W486-Y552 HydrophobicContact CZ3-CE1 4.14Å; Y548-Y552 WeakPolarHBondContact CD1-OH 3.32Å; P549-Y552 HydrophobicContact CG-CD1 3.93Å; P549-Y552 HydrophobicContact CG-CE1 3.65Å; P549-Y552 HydrophobicContact CG-CE2 4.27Å; P549-Y552 HydrophobicContact CG-CG 4.35Å; Y552-G554 PolarHBondContact O-N 2.73Å; Y552-G554 VanDerWaalsContact O-N 3.16Å; Y552-E555 WeakPolarHBondContact CD2-OE2 3.24Å; Y552-E555 PolarHBondContact N-OE2 2.79Å; Y552-E555 WeakPolarHBondContact O-CB 3.44Å; Y552-E555 PolarHBondContact O-N 3.49Å; Y552-Y558 WeakPolarHBondContact O-CB 3.44Å
553	T	63.8	Low	80	Confident	18 Å²	18	40.3 Å²	40.3	11%	0.11	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	123.9	173.8	-48.7	0	0	0	0	110.7	Y558 W577	T553-Y558 HydrophobicContact CG2-CE1 4.1Å; T553-W577 HydrophobicContact CG2-CH2 3.89Å; T553-W577 HydrophobicContact CG2-CZ2 4.1Å; T553-W577 HydrophobicContact CG2-CZ3 4.19Å
554	G	62.3	Low	79	Confident	47 Å²	47	38.1 Å²	38.1	49%	0.485	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-4.1	179.8	0	0	0	0	0	115.4	Y552	Y552-G554 PolarHBondContact O-N 2.73Å; Y552-G554 VanDerWaalsContact O-N 3.16Å
555	E	66.2	Low	78.2	Confident	52 Å²	52	36.3 Å²	36.3	24%	0.243	22%	0.217	C	C	.	.	S	Bend	trans	-77.4	147.9	172.2	-66.2	-177.6	161.5	0	0	111.4	Y552 G557 Y558 R592	Y552-E555 WeakPolarHBondContact CD2-OE2 3.24Å; Y552-E555 PolarHBondContact N-OE2 2.79Å; Y552-E555 WeakPolarHBondContact O-CB 3.44Å; Y552-E555 PolarHBondContact O-N 3.49Å; E555-G557 PolarHBondContact O-N 2.71Å; E555-Y558 WeakPolarHBondContact O-CB 3.4Å; E555-Y558 PolarHBondContact O-N 3.33Å; E555-Y558 VanDerWaalsContact O-N 3.11Å; E555-R592 IonicContact OE1-NH2 3.73Å
556	P	68.1	Low	77.4	Confident	118 Å²	118	36.8 Å²	36.8	77%	0.766	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	135.3	169	-23.3	33.9	0	0	0	110.3	H551 Y558	H551-P556 PolarHBondContact CD2-O 2.87Å; H551-P556 VanDerWaalsContact CD2-O 3.3Å; P556-Y558 VanDerWaalsContact C-N 3.33Å; P556-Y558 PolarHBondContact O-N 2.9Å
557	G	67.3	Low	76.8	Confident	55 Å²	55	38.2 Å²	38.2	57%	0.567	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-12.8	-177.6	0	0	0	0	0	115.9	E555 I559	E555-G557 PolarHBondContact O-N 2.71Å; G557-I559 PolarHBondContact O-N 3.21Å
558	Y	73.2	Confident	76.2	Confident	53 Å²	53	41 Å²	41	21%	0.208	24%	0.239	C	C	.	.			trans	-65.9	124.2	174.8	177.7	-95.9	0	0	0	111.8	H551 Y552 T553 E555 P556	H551-Y558 HydrophobicContact CB-CD2 4.23Å; Y552-Y558 WeakPolarHBondContact O-CB 3.44Å; T553-Y558 HydrophobicContact CG2-CE1 4.1Å; E555-Y558 WeakPolarHBondContact O-CB 3.4Å; E555-Y558 PolarHBondContact O-N 3.33Å; E555-Y558 VanDerWaalsContact O-N 3.11Å; P556-Y558 VanDerWaalsContact C-N 3.33Å; P556-Y558 PolarHBondContact O-N 2.9Å
559	I	73.4	Confident	75.5	Confident	89 Å²	89	43.7 Å²	43.7	46%	0.456	26%	0.255	S	S	.	.			trans	-133	123.2	174.8	-60.2	171.9	0	0	0	107.8	R345 G557	R345-I559 PolarHBondContact NH2-O 2.85Å; G557-I559 PolarHBondContact O-N 3.21Å
560	S	76.9	Confident	74.9	Confident	12 Å²	12	46.5 Å²	46.5	8%	0.084	27%	0.27	C	S	.	.			trans	-104.1	114.7	175.1	176.6	0	0	0	0	111	T562 E563 T564	S560-T562 VanDerWaalsContact C-N 3.29Å; S560-T562 PolarHBondContact OG-N 2.77Å; S560-T562 PolarHBondContact OG-OG1 2.58Å; S560-E563 WeakPolarHBondContact OG-CB 3.18Å; S560-E563 WeakPolarHBondContact OG-CG 3.45Å; S560-E563 PolarHBondContact OG-N 3.09Å; S560-T564 WeakPolarHBondContact O-CB 3.41Å; S560-T564 WeakPolarHBondContact O-CG2 3.39Å; S560-T564 PolarHBondContact O-N 2.72Å; S560-T564 PolarHBondContact O-OG1 3.07Å
561	D	81.3	Confident	74.6	Confident	18 Å²	18	50.1 Å²	50.1	10%	0.096	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14	174.9	-74.4	-63.8	0	0	0	112.7	L339 R341 R342	L339-D561 HydrophobicContact CD1-CB 3.66Å; R341-D561 IonicContact CZ-OD1 3.24Å; R341-D561 VanDerWaalsContact CZ-OD1 3.23Å; R341-D561 IonicContact NH1-OD1 3.98Å; R341-D561 PolarHBondContact NH1-OD1 3.45Å; R341-D561 IonicContact NH2-OD1 3.89Å; R341-D561 PolarHBondContact NH2-OD1 3.11Å; R342-D561 IonicContact CZ-OD2 3.65Å; R342-D561 IonicContact NE-OD2 2.93Å; R342-D561 IonicContact NH1-OD1 2.6Å; R342-D561 IonicContact NH1-OD2 3.31Å; R342-D561 PolarHBondContact NH1-OD2 2.76Å
562	T	72.3	Confident	74.5	Confident	48 Å²	48	52.2 Å²	52.2	29%	0.294	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-43.7	174.4	55.4	0	0	0	0	111.6	T397 G399 C403 S560	T397-T562 PolarHBondContact OG1-O 3Å; G399-T562 WeakPolarHBondContact CA-O 3.3Å; C403-T562 HydrophobicContact CB-CG2 3.82Å; S560-T562 VanDerWaalsContact C-N 3.29Å; S560-T562 PolarHBondContact OG-N 2.77Å; S560-T562 PolarHBondContact OG-OG1 2.58Å
563	E	73.9	Confident	74.4	Confident	18 Å²	18	52.6 Å²	52.6	8%	0.084	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-22.9	-176.3	-63.1	177.7	141.3	0	0	113	S560 T575 K584	S560-E563 WeakPolarHBondContact OG-CB 3.18Å; S560-E563 WeakPolarHBondContact OG-CG 3.45Å; S560-E563 PolarHBondContact OG-N 3.09Å; E563-T575 WeakPolarHBondContact O-CB 3.36Å; E563-T575 PolarHBondContact O-OG1 2.66Å; E563-K584 IonicContact OE1-NZ 3.97Å; E563-K584 PolarHBondContact OE1-NZ 3.42Å
564	T	71.9	Confident	75.1	Confident	33 Å²	33	55.3 Å²	55.3	20%	0.202	34%	0.343	C	S	.	.	S	Bend	trans	-101	76.8	-179.4	64.4	0	0	0	0	112.5	K369 S560 T575	K369-T564 WeakPolarHBondContact CE-O 3.2Å; K369-T564 PolarHBondContact NZ-O 2.84Å; S560-T564 WeakPolarHBondContact O-CB 3.41Å; S560-T564 WeakPolarHBondContact O-CG2 3.39Å; S560-T564 PolarHBondContact O-N 2.72Å; S560-T564 PolarHBondContact O-OG1 3.07Å; T564-T575 WeakPolarHBondContact CA-O 3.4Å
565	S	77.8	Confident	75.4	Confident	10 Å²	10	54.1 Å²	54.1	7%	0.07	33%	0.326	C	S	.	.	S	Bend	trans	-144.6	-127.8	177.7	62.5	0	0	0	0	111	G399 A574 T575	G399-S565 PolarHBondContact N-OG 2.86Å; S565-A574 WeakPolarHBondContact O-CA 3.35Å; S565-T575 PolarHBondContact N-O 3.41Å; S565-T575 PolarHBondContact N-OG1 3.06Å; S565-T575 PolarHBondContact O-N 3.02Å; S565-T575 PolarHBondContact O-OG1 2.99Å
566	T	79.1	Confident	75.2	Confident	31 Å²	31	58 Å²	58	19%	0.19	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-128.8	163.3	169.5	71.4	0	0	0	0	108.5	T397 R398 E571 V573	T397-T566 CarbonylContact C-O 3.54Å; T397-T566 VanDerWaalsContact CA-O 3.32Å; T397-T566 WeakPolarHBondContact CA-O 3.43Å; R398-T566 WeakPolarHBondContact CD-OG1 3.2Å; R398-T566 PolarHBondContact N-O 3.24Å; R398-T566 PolarHBondContact NE-OG1 3.01Å; T566-E571 WeakPolarHBondContact CG2-O 3.45Å; T566-V573 VanDerWaalsContact CA-O 3.24Å; T566-V573 WeakPolarHBondContact CA-O 3.48Å; T566-V573 WeakPolarHBondContact CB-O 3.42Å
567	I	82.6	Confident	74.6	Confident	29 Å²	29	54.5 Å²	54.5	15%	0.149	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-67.2	158.8	170.9	70.5	-178.2	0	0	0	110.6	V395 R398 D569 D570 V573 T575	V395-I567 HydrophobicContact CG2-CB 4.08Å; V395-I567 HydrophobicContact CG2-CG2 4.4Å; R398-I567 PolarHBondContact NE-O 3.05Å; I567-D569 WeakPolarHBondContact CD1-OD1 3.42Å; I567-D569 WeakPolarHBondContact CG1-OD1 3.49Å; I567-D569 PolarHBondContact O-N 3.3Å; I567-D570 HydrophobicContact CD1-CB 3.82Å; I567-D570 HydrophobicContact CG1-CB 3.82Å; I567-D570 WeakPolarHBondContact CG1-O 3.3Å; I567-V573 HydrophobicContact CD1-CB 3.76Å; I567-V573 HydrophobicContact CD1-CG1 3.94Å; I567-V573 HydrophobicContact CD1-CG2 4.1Å; I567-V573 HydrophobicContact CG1-CB 3.91Å; I567-V573 HydrophobicContact CG1-CG1 4.31Å; I567-V573 HydrophobicContact CG2-CG1 4.16Å; I567-V573 PolarHBondContact N-O 3.08Å; I567-V573 VanDerWaalsContact N-O 3.11Å; I567-T575 HydrophobicContact CG2-CG2 3.62Å
568	W	81.7	Confident	73.6	Confident	60 Å²	60	56.7 Å²	56.7	23%	0.227	32%	0.319	C	S	.	.	S	Bend	trans	-63.6	-38.6	-171.3	79.2	-65.8	0	0	0	113.7	M383 L396 R398 I401	M383-W568 HydrophobicContact CB-CD2 4.42Å; M383-W568 HydrophobicContact CB-CH2 4.34Å; M383-W568 HydrophobicContact CB-CZ2 4.1Å; L396-W568 HydrophobicContact CB-CB 4.19Å; L396-W568 HydrophobicContact CB-CG 4.41Å; L396-W568 WeakPolarHBondContact O-CB 3.35Å; L396-W568 PolarHBondContact O-N 3.3Å; R398-W568 PolarHBondContact NH2-O 3.07Å; I401-W568 HydrophobicContact CD1-CB 3.62Å
569	D	78.9	Confident	72.6	Confident	91 Å²	91	62.6 Å²	62.6	49%	0.487	34%	0.341	S	S	.	.	S	Bend	trans	-99.7	-6.4	-172.3	52	-7.8	0	0	0	114.5	I567	I567-D569 WeakPolarHBondContact CD1-OD1 3.42Å; I567-D569 WeakPolarHBondContact CG1-OD1 3.49Å; I567-D569 PolarHBondContact O-N 3.3Å
570	D	78.7	Confident	71.1	Confident	70 Å²	70	66.2 Å²	66.2	37%	0.374	36%	0.356	S	S	.	.			trans	-142.8	113.6	178	-165.3	-18.1	0	0	0	111.6	I567 A572 V573	I567-D570 HydrophobicContact CD1-CB 3.82Å; I567-D570 HydrophobicContact CG1-CB 3.82Å; I567-D570 WeakPolarHBondContact CG1-O 3.3Å; D570-A572 VanDerWaalsContact C-N 3.27Å; D570-A572 PolarHBondContact O-N 3.06Å; D570-A572 VanDerWaalsContact OD1-CB 3.3Å; D570-A572 WeakPolarHBondContact OD1-CB 3.42Å; D570-A572 PolarHBondContact OD1-N 3.38Å; D570-V573 HydrophobicContact CB-CB 4.39Å; D570-V573 HydrophobicContact CB-CG2 4.05Å; D570-V573 PolarHBondContact O-N 3.04Å; D570-V573 WeakPolarHBondContact OD2-CG2 3.49Å
571	E	78.5	Confident	69.3	Low	99 Å²	99	73.3 Å²	73.3	46%	0.463	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.9	178.3	-64.8	177	-171.2	0	0	112.6	N372 T373 R398 T566	N372-E571 WeakPolarHBondContact CA-OE1 3.33Å; N372-E571 WeakPolarHBondContact CB-OE1 3.27Å; T373-E571 PolarHBondContact N-OE1 3.32Å; T373-E571 PolarHBondContact OG1-OE1 3.25Å; R398-E571 IonicContact CZ-OE1 3.64Å; R398-E571 IonicContact NH1-OE1 2.73Å; R398-E571 IonicContact NH2-OE1 3.64Å; T566-E571 WeakPolarHBondContact CG2-O 3.45Å
572	A	77.1	Confident	67.4	Low	90 Å²	90	73.8 Å²	73.8	74%	0.744	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-19.5	178.2	0	0	0	0	0	112.5	D570 A574	D570-A572 VanDerWaalsContact C-N 3.27Å; D570-A572 PolarHBondContact O-N 3.06Å; D570-A572 VanDerWaalsContact OD1-CB 3.3Å; D570-A572 WeakPolarHBondContact OD1-CB 3.42Å; D570-A572 PolarHBondContact OD1-N 3.38Å; A572-A574 PolarHBondContact O-N 3.42Å
573	V	78.3	Confident	65.9	Low	63 Å²	63	82.1 Å²	82.1	38%	0.382	42%	0.42	S	S	.	.			trans	-93.4	88.6	-179.3	-177	0	0	0	0	109.4	T566 I567 D570	T566-V573 VanDerWaalsContact CA-O 3.24Å; T566-V573 WeakPolarHBondContact CA-O 3.48Å; T566-V573 WeakPolarHBondContact CB-O 3.42Å; I567-V573 HydrophobicContact CD1-CB 3.76Å; I567-V573 HydrophobicContact CD1-CG1 3.94Å; I567-V573 HydrophobicContact CD1-CG2 4.1Å; I567-V573 HydrophobicContact CG1-CB 3.91Å; I567-V573 HydrophobicContact CG1-CG1 4.31Å; I567-V573 HydrophobicContact CG2-CG1 4.16Å; I567-V573 PolarHBondContact N-O 3.08Å; I567-V573 VanDerWaalsContact N-O 3.11Å; D570-V573 HydrophobicContact CB-CB 4.39Å; D570-V573 HydrophobicContact CB-CG2 4.05Å; D570-V573 PolarHBondContact O-N 3.04Å; D570-V573 WeakPolarHBondContact OD2-CG2 3.49Å
574	A	76.9	Confident	64.4	Low	76 Å²	76	82.3 Å²	82.3	63%	0.628	42%	0.42	S	S	*	.	B	Isolated β-bridge	trans	-62.4	139	169.9	0	0	0	0	0	110.5	S565 A572	S565-A574 WeakPolarHBondContact O-CA 3.35Å; A572-A574 PolarHBondContact O-N 3.42Å
575	T	69.9	Low	63.1	Low	21 Å²	21	83.9 Å²	83.9	13%	0.129	43%	0.43	C	S	.	.			trans	-99.9	119.2	168.2	61.8	0	0	0	0	108.4	T397 E563 T564 S565 I567	T397-T575 HydrophobicContact CG2-CG2 3.74Å; E563-T575 WeakPolarHBondContact O-CB 3.36Å; E563-T575 PolarHBondContact O-OG1 2.66Å; T564-T575 WeakPolarHBondContact CA-O 3.4Å; S565-T575 PolarHBondContact N-O 3.41Å; S565-T575 PolarHBondContact N-OG1 3.06Å; S565-T575 PolarHBondContact O-N 3.02Å; S565-T575 PolarHBondContact O-OG1 2.99Å; I567-T575 HydrophobicContact CG2-CG2 3.62Å
576	D	62.5	Low	61.1	Low	133 Å²	133	87 Å²	87	71%	0.711	46%	0.456	S	S	*	.			trans	-117.5	137.1	162.6	-163.5	-1.3	0	0	0	107.6	D578	D576-D578 PolarHBondContact O-N 3.11Å
577	W	55.4	Low	59.5	Low	45 Å²	45	91.8 Å²	91.8	17%	0.17	48%	0.477	C	S	.	.			trans	-79	82.6	179	-155.7	85.9	0	0	0	108	T553 R579 A582 K584	T553-W577 HydrophobicContact CG2-CH2 3.89Å; T553-W577 HydrophobicContact CG2-CZ2 4.1Å; T553-W577 HydrophobicContact CG2-CZ3 4.19Å; W577-R579 PolarHBondContact O-N 3.49Å; W577-R579 VanDerWaalsContact O-N 3.09Å; W577-A582 HydrophobicContact CH2-CB 3.68Å; W577-A582 HydrophobicContact CZ2-CB 3.54Å; W577-A582 HydrophobicContact CZ3-CB 4.36Å; W577-K584 HydrophobicContact CH2-CB 4.17Å; W577-K584 HydrophobicContact CZ2-CB 3.68Å; W577-K584 HydrophobicContact CZ2-CD 3.61Å; W577-K584 HydrophobicContact CZ2-CG 4.24Å
578	D	45.5	Very low	57.6	Low	102 Å²	102	92 Å²	92	55%	0.545	48%	0.477	S	S	.	.			trans	-67.3	109.9	-174.2	-163.1	-8.9	0	0	0	111	D576 Q580 H581	D576-D578 PolarHBondContact O-N 3.11Å; D578-Q580 PolarHBondContact O-N 3.46Å; D578-H581 PolarHBondContact O-N 3.29Å
579	R	52.3	Low	55.6	Low	176 Å²	176	91.1 Å²	91.1	66%	0.664	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.8	-171.4	-69.4	-179.8	-178.2	173.9	-0.7	113.8	W577	W577-R579 PolarHBondContact O-N 3.49Å; W577-R579 VanDerWaalsContact O-N 3.09Å
580	Q	40.7	Very low	53.5	Low	165 Å²	165	97 Å²	97	77%	0.771	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-19.1	-174.8	-74	-173.6	-6	0	0	114.7	D578	D578-Q580 PolarHBondContact O-N 3.46Å
581	H	39.2	Very low	51.8	Low	161 Å²	161	97 Å²	97	75%	0.745	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-2.1	-167.3	-73.9	72.1	0	0	0	115.6	D578 R583	D578-H581 PolarHBondContact O-N 3.29Å; H581-R583 PolarHBondContact O-N 3.38Å
582	A	41.9	Very low	49.9	Very low	29 Å²	29	100 Å²	100	24%	0.24	51%	0.508	C	S	.	.			trans	-83.2	114.6	-176.7	0	0	0	0	0	113.2	W577 K584 T585	W577-A582 HydrophobicContact CH2-CB 3.68Å; W577-A582 HydrophobicContact CZ2-CB 3.54Å; W577-A582 HydrophobicContact CZ3-CB 4.36Å; A582-K584 HydrophobicContact CB-CB 4.23Å; A582-K584 PolarHBondContact O-N 3.34Å; A582-T585 PolarHBondContact O-N 3.48Å; A582-T585 PolarHBondContact O-OG1 2.87Å
583	R	41.2	Very low	47.7	Very low	223 Å²	223	99.6 Å²	99.6	84%	0.842	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-17.7	166.2	-80.5	-179.5	172.4	176.3	-1.7	113.3	H581 T585 A586	H581-R583 PolarHBondContact O-N 3.38Å; R583-T585 VanDerWaalsContact C-N 3.3Å; R583-T585 PolarHBondContact O-N 3.46Å; R583-A586 PolarHBondContact O-N 3.3Å
584	K	43	Very low	45.7	Very low	21 Å²	21	101.5 Å²	101.5	9%	0.091	51%	0.509	C	S	.	.	H	α-helix	trans	-54.5	-41.7	175.2	-130.9	179.6	-179.5	169.7	0	111.6	Y391 E563 W577 A582 A586 Q587 Q588	Y391-K584 HydrophobicContact CD1-CD 4.45Å; Y391-K584 HydrophobicContact CD1-CG 3.7Å; Y391-K584 HydrophobicContact CD2-CD 4.29Å; Y391-K584 HydrophobicContact CD2-CG 4.38Å; Y391-K584 HydrophobicContact CE1-CG 4.32Å; Y391-K584 HydrophobicContact CG-CD 3.96Å; Y391-K584 HydrophobicContact CG-CG 3.72Å; E563-K584 IonicContact OE1-NZ 3.97Å; E563-K584 PolarHBondContact OE1-NZ 3.42Å; W577-K584 HydrophobicContact CH2-CB 4.17Å; W577-K584 HydrophobicContact CZ2-CB 3.68Å; W577-K584 HydrophobicContact CZ2-CD 3.61Å; W577-K584 HydrophobicContact CZ2-CG 4.24Å; A582-K584 HydrophobicContact CB-CB 4.23Å; A582-K584 PolarHBondContact O-N 3.34Å; K584-A586 PolarHBondContact O-N 3.49Å; K584-Q587 PolarHBondContact O-N 2.97Å; K584-Q588 WeakPolarHBondContact O-CB 3.25Å; K584-Q588 WeakPolarHBondContact O-CG 3.49Å; K584-Q588 PolarHBondContact O-N 3.45Å
585	T	43.6	Very low	43.5	Very low	66 Å²	66	100.1 Å²	100.1	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-66.3	-35.3	-174.4	-38.2	0	0	0	0	112.8	A582 R583 G589	A582-T585 PolarHBondContact O-N 3.48Å; A582-T585 PolarHBondContact O-OG1 2.87Å; R583-T585 VanDerWaalsContact C-N 3.3Å; R583-T585 PolarHBondContact O-N 3.46Å; T585-G589 PolarHBondContact O-N 3.25Å
586	A	37	Very low	41.6	Very low	76 Å²	76	105.2 Å²	105.2	63%	0.628	52%	0.52	S	S	*	.	H	α-helix	trans	-76.1	-34.5	-177.6	0	0	0	0	0	113.4	R583 K584	R583-A586 PolarHBondContact O-N 3.3Å; K584-A586 PolarHBondContact O-N 3.49Å
587	Q	43.8	Very low	40.2	Very low	131 Å²	131	102.6 Å²	102.6	61%	0.612	51%	0.506	S	S	*	.	H	α-helix	trans	-80.8	-37.3	173.9	-104.7	175.7	-16	0	0	112	K584 R590	K584-Q587 PolarHBondContact O-N 2.97Å; Q587-R590 PolarHBondContact O-N 3.38Å
588	Q	44.3	Very low	38.8	Very low	34 Å²	34	105.2 Å²	105.2	16%	0.159	53%	0.532	C	S	.	.	H	α-helix	trans	-67	-35.9	175.3	-72	177.2	-12.3	0	0	112.3	K584 R590 I591	K584-Q588 WeakPolarHBondContact O-CB 3.25Å; K584-Q588 WeakPolarHBondContact O-CG 3.49Å; K584-Q588 PolarHBondContact O-N 3.45Å; Q588-R590 VanDerWaalsContact C-N 3.25Å; Q588-R590 PolarHBondContact O-N 3.1Å; Q588-I591 PolarHBondContact O-N 3.25Å
589	G	38.4	Very low	38	Very low	41 Å²	41	105.7 Å²	105.7	42%	0.423	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-26.5	174.7	0	0	0	0	0	114.4	T585	T585-G589 PolarHBondContact O-N 3.25Å
590	R	35.7	Very low	36.9	Very low	215 Å²	215	103.1 Å²	103.1	81%	0.811	54%	0.542	S	S	*	.	H	α-helix	trans	-80	-17.5	176.7	-76.2	-176.7	175.2	-178.9	-0.7	113.9	Q587 Q588 P593	Q587-R590 PolarHBondContact O-N 3.38Å; Q588-R590 VanDerWaalsContact C-N 3.25Å; Q588-R590 PolarHBondContact O-N 3.1Å; R590-P593 VanDerWaalsContact O-CD 3.28Å; R590-P593 WeakPolarHBondContact O-CD 3.23Å
591	I	42.6	Very low	36.2	Very low	69 Å²	69	98.5 Å²	98.5	35%	0.354	54%	0.538	S	S	.	.	H	α-helix	trans	-91.1	-8.4	-178.9	-58.4	167.5	0	0	0	111.5	Q588 P593 V594	Q588-I591 PolarHBondContact O-N 3.25Å; I591-P593 VanDerWaalsContact C-N 3.3Å; I591-P593 WeakPolarHBondContact O-CD 3.5Å; I591-P593 VanDerWaalsContact O-N 3.11Å; I591-V594 PolarHBondContact O-N 3.4Å; I591-V594 VanDerWaalsContact O-N 3.11Å
592	R	37.8	Very low	35.6	Very low	163 Å²	163	96.4 Å²	96.4	62%	0.615	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-35.5	174.6	-88.6	-174.9	159.2	-176.3	-6.7	116.4	E555 Q596	E555-R592 IonicContact OE1-NH2 3.73Å; R592-Q596 WeakPolarHBondContact O-CG 3.3Å
593	P	32.6	Very low	34.7	Very low	81 Å²	81	100.3 Å²	100.3	53%	0.526	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	-14.1	-177.2	27.8	-24.8	0	0	0	113.9	R590 I591	R590-P593 VanDerWaalsContact O-CD 3.28Å; R590-P593 WeakPolarHBondContact O-CD 3.23Å; I591-P593 VanDerWaalsContact C-N 3.3Å; I591-P593 WeakPolarHBondContact O-CD 3.5Å; I591-P593 VanDerWaalsContact O-N 3.11Å
594	V	36.3	Very low	34	Very low	103 Å²	103	95.4 Å²	95.4	62%	0.624	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-26.8	-176	-171.6	0	0	0	0	111.8	I591 Q596	I591-V594 PolarHBondContact O-N 3.4Å; I591-V594 VanDerWaalsContact O-N 3.11Å; V594-Q596 VanDerWaalsContact C-N 3.32Å
595	A	30.8	Very low	33.1	Very low	47 Å²	47	97 Å²	97	39%	0.388	57%	0.568	S	S	.	*	S	Bend	trans	-86.9	-0.6	170.7	0	0	0	0	0	113.2	N597	A595-N597 PolarHBondContact O-N 3.24Å
596	Q	29.8	Very low	32.2	Very low	128 Å²	128	99 Å²	99	60%	0.598	58%	0.582	S	S	*	*	S	Bend	trans	-76.4	103.1	167.6	-82.5	-177.5	-22.1	0	0	108.5	R592 V594 S598	R592-Q596 WeakPolarHBondContact O-CG 3.3Å; V594-Q596 VanDerWaalsContact C-N 3.32Å; Q596-S598 PolarHBondContact O-N 2.84Å
597	N	32.6	Very low	32	Very low	79 Å²	79	100.4 Å²	100.4	42%	0.422	59%	0.594	S	S	.	*			trans	-4.7	83.8	158.4	-67.9	-40.5	0	0	0	114.8	R187 A595 V599	R187-N597 PolarHBondContact NH2-OD1 3.32Å; R187-N597 VanDerWaalsContact NH2-OD1 3.09Å; A595-N597 PolarHBondContact O-N 3.24Å; N597-V599 VanDerWaalsContact C-N 3.33Å
598	S	26.3	Very low	31.2	Very low	100 Å²	100	99 Å²	99	70%	0.699	60%	0.604	S	S	*	*			trans	-99.9	59.2	161.4	57.6	0	0	0	0	109.3	Q596 T600	Q596-S598 PolarHBondContact O-N 2.84Å; S598-T600 PolarHBondContact O-N 3.21Å; S598-T600 VanDerWaalsContact O-N 3.16Å
599	V	28.6	Very low	30.5	Very low	112 Å²	112	107 Å²	107	68%	0.679	63%	0.633	S	S	*	*			trans	-83.4	62.9	154.3	-169.2	0	0	0	0	107	N597	N597-V599 VanDerWaalsContact C-N 3.33Å
600	T	27.8	Very low	30	Very low	121 Å²	121	107.1 Å²	107.1	74%	0.742	63%	0.63	S	S	*	*			trans	-105.3	70	164	54.1	0	0	0	0	107.4	S598	S598-T600 PolarHBondContact O-N 3.21Å; S598-T600 VanDerWaalsContact O-N 3.16Å
601	G	26.4	Very low	30.1	Very low	68 Å²	68	99.9 Å²	99.9	70%	0.701	61%	0.612	S	S	*	*			trans	-100.5	64.2	159.4	0	0	0	0	0	108.4
602	D	27.4	Very low	30.1	Very low	117 Å²	117	99.8 Å²	99.8	63%	0.626	61%	0.607	S	S	*	*	S	Bend	trans	-165.7	108.4	160.3	-87.5	-30.7	0	0	0	107	K288	K288-D602 IonicContact NZ-OD2 3.91Å; K288-D602 PolarHBondContact NZ-OD2 3.32Å
603	S	23.1	Very low	30.2	Very low	112 Å²	112	93.2 Å²	93.2	78%	0.783	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-59.4	135.5	169	-59.8	0	0	0	0	109
604	P	25.3	Very low	30.3	Very low	119 Å²	119	94.1 Å²	94.1	77%	0.773	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-62	129.9	175.7	0.1	6.9	0	0	0	109.1
605	P	24.4	Very low	30.1	Very low	54 Å²	54	93.7 Å²	93.7	35%	0.351	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-62.7	155.1	170.3	23.7	-28.2	0	0	0	109.9	A607 E614	P605-A607 PolarHBondContact O-N 3.4Å; P605-E614 WeakPolarHBondContact CG-OE2 3.45Å
606	P	25.7	Very low	30.1	Very low	109 Å²	109	96 Å²	96	71%	0.708	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-52.6	139.7	176.3	19.5	-30.2	0	0	0	110.4	A608 R609	P606-A608 PolarHBondContact O-N 3.43Å; P606-R609 PolarHBondContact O-N 2.67Å
607	A	31.9	Very low	30.1	Very low	106 Å²	106	94.3 Å²	94.3	88%	0.876	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	-1	-168.3	0	0	0	0	0	117.5	P605	P605-A607 PolarHBondContact O-N 3.4Å
608	A	26.5	Very low	30	Very low	101 Å²	101	95.2 Å²	95.2	84%	0.835	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-3	175.4	0	0	0	0	0	114.3	P606	P606-A608 PolarHBondContact O-N 3.43Å
609	R	29.5	Very low	30.2	Very low	203 Å²	203	94.9 Å²	94.9	77%	0.766	59%	0.587	S	S	*	*			trans	-127.4	7.2	-174.9	-82.1	-171.2	178.8	-179.7	0.1	117	P606 S611	P606-R609 PolarHBondContact O-N 2.67Å; R609-S611 PolarHBondContact O-N 3.23Å
610	A	28.9	Very low	30.3	Very low	42 Å²	42	93.8 Å²	93.8	35%	0.347	58%	0.581	S	S	.	*			trans	-63.6	100.6	179.1	0	0	0	0	0	110.8
611	S	38.2	Very low	30.4	Very low	63 Å²	63	92 Å²	92	44%	0.441	57%	0.57	S	S	.	*			trans	-80.9	162.7	164.1	71.4	0	0	0	0	109.4	R609 D613 E614	R609-S611 PolarHBondContact O-N 3.23Å; S611-D613 PolarHBondContact O-N 2.93Å; S611-E614 PolarHBondContact O-N 3.44Å
612	R	42.6	Very low	30.7	Very low	67 Å²	67	93.7 Å²	93.7	25%	0.253	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-40.6	-26.8	179	176	178.2	166.4	162.2	-1.6	115.1	W127 D257	W127-R612 VanDerWaalsContact CH2-NH1 3.31Å; W127-R612 VanDerWaalsContact CZ2-CZ 3.42Å; W127-R612 VanDerWaalsContact CZ2-NH1 3.32Å; W127-R612 VanDerWaalsContact CZ2-NH2 3.3Å; D257-R612 IonicContact OD1-NH1 3.93Å
613	D	39.7	Very low	31	Very low	26 Å²	26	91.9 Å²	91.9	14%	0.139	56%	0.556	C	S	.	*	T	Hydrogen-bonded Turn	trans	-100.3	7.2	-170.7	-50.6	-31.7	0	0	0	114.3	S611	S611-D613 PolarHBondContact O-N 2.93Å
614	E	33.9	Very low	31.6	Very low	99 Å²	99	90.3 Å²	90.3	46%	0.463	54%	0.537	S	S	.	.			trans	-113.9	24.5	-179.2	-64.9	-174.2	163.9	0	0	114.2	P605 S611	P605-E614 WeakPolarHBondContact CG-OE2 3.45Å; S611-E614 PolarHBondContact O-N 3.44Å
615	L	33.1	Very low	32.2	Very low	94 Å²	94	87.6 Å²	87.6	49%	0.492	52%	0.515	S	S	.	.			trans	-106.9	0	-176.2	-71.4	175.7	0	0	0	115.4	W194 Y203	W194-L615 HydrophobicContact CZ2-CD1 3.79Å; Y203-L615 HydrophobicContact CD1-CD2 3.67Å; Y203-L615 HydrophobicContact CG-CD1 4.32Å; Y203-L615 HydrophobicContact CG-CD2 3.91Å

Retrieved 615 of 615 residues in 431.3 ms (Link to these results)

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