A0A060YTH5_ONCMY Loading...

Ras homolog family member Ua

AlphaFold DB , UniProt , Accession A0A060YTH5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110499271, Length 253 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	34.5	Very low	35.2	Very low	239 Å²	239	148.9 Å²	148.9	100%	1.177	83%	0.828	S	S	*	*				0	117.8	0	-72.3	-162.1	153.4	0	0	108.1
2	P	38.5	Very low	34.8	Very low	118 Å²	118	147.1 Å²	147.1	77%	0.766	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-89.2	150.8	172.9	34.7	-28.1	0	0	0	110.3
3	P	39.6	Very low	34.6	Very low	128 Å²	128	143.5 Å²	143.5	83%	0.831	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-73.9	137.8	176.4	30	-30.5	0	0	0	110.5
4	Q	38.4	Very low	34.6	Very low	183 Å²	183	142.7 Å²	142.7	86%	0.855	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.3	126.2	171.3	-70.9	167	-35.7	0	0	109
5	G	37.4	Very low	34.3	Very low	75 Å²	75	140.6 Å²	140.6	77%	0.773	82%	0.819	S	S	*	*			trans	-115.4	101.5	170.8	0	0	0	0	0	108.8	G7	G5-G7 PolarHBondContact O-N 3.21Å; G5-G7 VanDerWaalsContact O-N 3.07Å
6	D	38.7	Very low	34.8	Very low	156 Å²	156	137.8 Å²	137.8	83%	0.834	82%	0.818	S	S	*	*			trans	-74.1	91.5	175.4	-61.8	-40.7	0	0	0	109.2	E8	D6-E8 PolarHBondContact O-N 3.16Å
7	G	33.9	Very low	34.6	Very low	77 Å²	77	135.1 Å²	135.1	79%	0.794	81%	0.814	S	S	*	*			trans	-86.5	79.4	173.4	0	0	0	0	0	111.2	G5 Y9	G5-G7 PolarHBondContact O-N 3.21Å; G5-G7 VanDerWaalsContact O-N 3.07Å; G7-Y9 PolarHBondContact O-N 3.04Å
8	E	31.1	Very low	34.8	Very low	168 Å²	168	135.2 Å²	135.2	79%	0.785	82%	0.815	S	S	*	*			trans	-67.1	109.3	172.7	-163.6	178.1	-169	0	0	110	D6 K10	D6-E8 PolarHBondContact O-N 3.16Å; E8-K10 PolarHBondContact O-N 2.97Å
9	Y	31.4	Very low	34.9	Very low	220 Å²	220	132.9 Å²	132.9	86%	0.863	80%	0.804	S	S	*	*			trans	-74	102.7	179	-164.5	-92.6	0	0	0	110	G7	G7-Y9 PolarHBondContact O-N 3.04Å
10	K	31.4	Very low	34.7	Very low	162 Å²	162	132.4 Å²	132.4	70%	0.704	80%	0.803	S	S	*	*			trans	-89.2	123.9	170.2	-76.7	-175.4	178.8	176.6	0	110.4	E8 V12	E8-K10 PolarHBondContact O-N 2.97Å; K10-V12 PolarHBondContact O-N 3.11Å
11	P	31.7	Very low	35	Very low	112 Å²	112	132.1 Å²	132.1	73%	0.727	80%	0.802	S	S	*	*			trans	-71.9	126.8	171.6	28.2	-29.9	0	0	0	109.8	A13	P11-A13 PolarHBondContact O-N 3.35Å
12	V	30.5	Very low	35.1	Very low	127 Å²	127	125.9 Å²	125.9	77%	0.77	78%	0.779	S	S	*	*			trans	-73.7	112	172.8	-177.7	0	0	0	0	108.1	K10 V14	K10-V12 PolarHBondContact O-N 3.11Å; V12-V14 HydrophobicContact CG1-CG2 4.1Å; V12-V14 PolarHBondContact O-N 3.24Å
13	A	33.2	Very low	34.7	Very low	101 Å²	101	125.7 Å²	125.7	84%	0.835	78%	0.778	S	S	*	*			trans	-68	113.9	168.3	0	0	0	0	0	109.1	P11	P11-A13 PolarHBondContact O-N 3.35Å
14	V	34.6	Very low	34.6	Very low	132 Å²	132	130.7 Å²	130.7	80%	0.8	78%	0.78	S	S	*	*			trans	-105.5	122.4	169.2	-169.4	0	0	0	0	108.5	V12	V12-V14 HydrophobicContact CG1-CG2 4.1Å; V12-V14 PolarHBondContact O-N 3.24Å
15	S	30.2	Very low	34.2	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	78%	0.778	S	S	*	*			trans	-51.1	137.6	-172.2	-176.1	0	0	0	0	114.2	A17	S15-A17 PolarHBondContact O-N 2.71Å
16	A	41.1	Very low	34.4	Very low	96 Å²	96	134.8 Å²	134.8	79%	0.793	78%	0.778	S	S	*	*			trans	-61.2	121.9	171.3	0	0	0	0	0	111.9
17	A	32.2	Very low	34.1	Very low	92 Å²	92	137.3 Å²	137.3	76%	0.76	78%	0.776	S	S	*	*			trans	-139.2	113.1	152	0	0	0	0	0	106.5	S15 P19	S15-A17 PolarHBondContact O-N 2.71Å; A17-P19 VanDerWaalsContact O-CD 3.26Å; A17-P19 WeakPolarHBondContact O-CD 3.34Å
18	V	37.6	Very low	34	Very low	137 Å²	137	138.3 Å²	138.3	83%	0.83	77%	0.771	S	S	*	*			trans	-70.8	115.8	179.4	180	0	0	0	0	107.9
19	P	36.6	Very low	34.6	Very low	92 Å²	92	142 Å²	142	60%	0.597	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.9	146.4	172.6	28	-31	0	0	0	109.7	A17 V21	A17-P19 VanDerWaalsContact O-CD 3.26Å; A17-P19 WeakPolarHBondContact O-CD 3.34Å; P19-V21 PolarHBondContact O-N 2.91Å
20	P	32.1	Very low	34.6	Very low	121 Å²	121	140 Å²	140	79%	0.786	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-63.1	131.4	-175.2	26.1	-33.1	0	0	0	110.5
21	V	39.6	Very low	34.8	Very low	128 Å²	128	137.9 Å²	137.9	78%	0.776	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-51.9	123.4	169.9	179	0	0	0	0	108.2	P19	P19-V21 PolarHBondContact O-N 2.91Å
22	P	36.8	Very low	35	Very low	108 Å²	108	142.5 Å²	142.5	70%	0.701	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-57	131.4	174.3	-20.4	30.4	0	0	0	108.4	R24	P22-R24 PolarHBondContact O-N 2.62Å
23	P	30.2	Very low	35.5	Very low	114 Å²	114	142.2 Å²	142.2	74%	0.74	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-55.3	134.2	176.9	21.8	-30.9	0	0	0	108.4	R25	P23-R25 VanDerWaalsContact C-N 3.29Å; P23-R25 PolarHBondContact O-N 3.39Å
24	R	38	Very low	35.6	Very low	233 Å²	233	140.6 Å²	140.6	88%	0.879	79%	0.788	S	S	*	*			trans	-45.1	96.7	168.3	-108	-176.8	-176.8	-129.7	0.9	108.2	P22 V26	P22-R24 PolarHBondContact O-N 2.62Å; R24-V26 PolarHBondContact O-N 2.85Å
25	R	30.1	Very low	35.9	Very low	215 Å²	215	139.6 Å²	139.6	81%	0.811	79%	0.787	S	S	*	*			trans	-80.4	86.3	178.2	-141	-179.1	-163.6	-155.9	4.8	106.7	P23 R27	P23-R25 VanDerWaalsContact C-N 3.29Å; P23-R25 PolarHBondContact O-N 3.39Å; R25-R27 PolarHBondContact O-N 3.41Å
26	V	42.1	Very low	36.3	Very low	129 Å²	129	143.5 Å²	143.5	78%	0.782	79%	0.79	S	S	*	*			trans	-60.6	99.6	152.9	-179.1	0	0	0	0	104.6	R24 S28	R24-V26 PolarHBondContact O-N 2.85Å; V26-S28 PolarHBondContact O-N 3.09Å
27	R	32.4	Very low	36.1	Very low	208 Å²	208	144.3 Å²	144.3	79%	0.785	79%	0.789	S	S	*	*			trans	-68.8	113	175.8	-155.2	174	-179.8	-178.3	-2	107.6	R25	R25-R27 PolarHBondContact O-N 3.41Å
28	S	31.5	Very low	36.8	Very low	99 Å²	99	151.1 Å²	151.1	69%	0.692	80%	0.795	S	S	*	*			trans	-55.2	143.1	174	42.6	0	0	0	0	111.6	V26 E30	V26-S28 PolarHBondContact O-N 3.09Å; S28-E30 PolarHBondContact O-N 3.17Å
29	R	43.2	Very low	37.3	Very low	246 Å²	246	149.7 Å²	149.7	93%	0.928	79%	0.791	S	S	*	*			trans	-39	123.8	166.9	-83.6	170.6	157.2	169.8	-5	111.9
30	E	31.6	Very low	37.6	Very low	176 Å²	176	149.7 Å²	149.7	82%	0.822	81%	0.807	S	S	*	*			trans	-116.8	139.9	144.3	-75.6	-176.1	153	0	0	108.8	S28	S28-E30 PolarHBondContact O-N 3.17Å
31	S	36.1	Very low	38.8	Very low	119 Å²	119	146.4 Å²	146.4	83%	0.832	80%	0.795	S	S	*	*			trans	-80.1	113.9	-156.8	32.2	0	0	0	0	113.2
32	F	34.5	Very low	39.8	Very low	208 Å²	208	147.2 Å²	147.2	91%	0.912	80%	0.8	S	S	*	*			trans	-94.4	112.7	148.1	-94.2	-90.6	0	0	0	108.8	G34	F32-G34 PolarHBondContact O-N 2.86Å
33	S	41.8	Very low	41.7	Very low	121 Å²	121	146 Å²	146	85%	0.846	79%	0.785	S	S	*	*			trans	-63.9	116.7	163.3	51.9	0	0	0	0	109.4
34	G	35.8	Very low	44.6	Very low	67 Å²	67	145.7 Å²	145.7	69%	0.691	77%	0.769	S	S	*	*	S	Bend	trans	160.1	99.7	171.7	0	0	0	0	0	113.5	F32	F32-G34 PolarHBondContact O-N 2.86Å
35	S	39.6	Very low	47.3	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	75%	0.753	S	S	*	*			trans	61.5	99.4	159.9	-57.8	0	0	0	0	118.3	C37	S35-C37 VanDerWaalsContact C-N 3.3Å; S35-C37 PolarHBondContact O-N 3.22Å
36	K	39	Very low	50.5	Low	193 Å²	193	130.3 Å²	130.3	84%	0.839	72%	0.715	S	S	*	*			trans	-73.1	77.6	170.7	-153.4	178.6	-165.6	175.4	0	110.3	R38	K36-R38 PolarHBondContact O-N 3.16Å; K36-R38 VanDerWaalsContact O-N 3.11Å
37	C	37.4	Very low	53.1	Low	113 Å²	113	125.6 Å²	125.6	76%	0.764	68%	0.684	S	S	*	*			trans	-78.2	89.8	167.3	-68.9	0	0	0	0	109.2	S35 S39	S35-C37 VanDerWaalsContact C-N 3.3Å; S35-C37 PolarHBondContact O-N 3.22Å; C37-S39 PolarHBondContact O-N 3.36Å
38	R	46.9	Very low	56.2	Low	235 Å²	235	115.7 Å²	115.7	89%	0.887	65%	0.646	S	S	*	*			trans	-67.3	87.4	162.1	-89.2	-179.6	155.9	179.2	-6.4	108.1	K36	K36-R38 PolarHBondContact O-N 3.16Å; K36-R38 VanDerWaalsContact O-N 3.11Å
39	S	47	Very low	59.4	Low	107 Å²	107	111 Å²	111	75%	0.748	61%	0.613	S	S	*	*			trans	-95.6	112.7	166.7	-166.5	0	0	0	0	108.3	C37 G41	C37-S39 PolarHBondContact O-N 3.36Å; S39-G41 PolarHBondContact O-N 3.32Å
40	G	44.7	Very low	62.1	Low	91 Å²	91	99.2 Å²	99.2	94%	0.938	57%	0.569	S	S	*	*			trans	-70.4	46	171.6	0	0	0	0	0	112.5
41	G	56.3	Low	65.2	Low	53 Å²	53	90.9 Å²	90.9	55%	0.546	53%	0.53	S	S	.	.			trans	-80	138.8	172.9	0	0	0	0	0	110.3	S39 E43	S39-G41 PolarHBondContact O-N 3.32Å; G41-E43 PolarHBondContact O-N 2.92Å; G41-E43 VanDerWaalsContact O-N 3.09Å
42	V	61.5	Low	68.2	Low	144 Å²	144	85.2 Å²	85.2	87%	0.873	49%	0.49	S	S	*	.			trans	-56.6	116.4	168.2	179.6	0	0	0	0	107.7	R44	V42-R44 PolarHBondContact O-N 3.41Å
43	E	76.7	Confident	71.2	Confident	83 Å²	83	76.4 Å²	76.4	39%	0.388	45%	0.453	S	S	.	.			trans	-64.7	115	177.3	-169.6	174.2	-167.8	0	0	108.8	G41 K45 K94	G41-E43 PolarHBondContact O-N 2.92Å; G41-E43 VanDerWaalsContact O-N 3.09Å; E43-K45 PolarHBondContact O-N 3.22Å; E43-K94 VanDerWaalsContact CD-NZ 3.34Å; E43-K94 HydrophobicContact CG-CD 4.01Å; E43-K94 HydrophobicContact CG-CG 4.13Å; E43-K94 WeakPolarHBondContact OE1-CD 3.26Å; E43-K94 WeakPolarHBondContact OE1-CE 3.25Å; E43-K94 VanDerWaalsContact OE1-CG 3.3Å; E43-K94 WeakPolarHBondContact OE1-CG 3.26Å; E43-K94 IonicContact OE1-NZ 3.51Å; E43-K94 WeakPolarHBondContact OE2-CD 3.08Å; E43-K94 WeakPolarHBondContact OE2-CE 3.46Å; E43-K94 IonicContact OE2-NZ 2.62Å; E43-K94 PolarHBondContact OE2-NZ 2.9Å
44	R	89.9	Confident	73.8	Confident	107 Å²	107	72.1 Å²	72.1	40%	0.404	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	131.8	179.3	-82.8	-176.7	171.1	-179.1	-12.2	108.7	V42 V93 K94 D223	V42-R44 PolarHBondContact O-N 3.41Å; R44-V93 HydrophobicContact CB-CG2 4.27Å; R44-V93 CarbonylContact O-C 3.46Å; R44-V93 WeakPolarHBondContact O-CA 2.96Å; R44-K94 PolarHBondContact O-N 3Å; R44-D223 IonicContact NH2-OD1 3Å; R44-D223 PolarHBondContact NH2-OD1 2.73Å; R44-D223 IonicContact NH2-OD2 3.15Å; R44-D223 PolarHBondContact NH2-OD2 2.72Å; R44-D223 VanDerWaalsContact NH2-OD2 3.07Å
45	K	94.7	Very high	76.5	Confident	123 Å²	123	72.1 Å²	72.1	54%	0.535	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.8	176	-175.3	-177.7	176.6	-172.1	0	108.6	E43 K94	E43-K45 PolarHBondContact O-N 3.22Å; K45-K94 CarbonylContact C-O 3.57Å; K45-K94 WeakPolarHBondContact CA-O 2.87Å; K45-K94 HydrophobicContact CB-CB 4.42Å; K45-K94 HydrophobicContact CG-CB 4.3Å
46	V	96.9	Very high	79.3	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.8	174.1	172.9	0	0	0	0	108	V93 K94 L95 Q96 D118 I119 I219	V46-V93 HydrophobicContact CB-CG1 4.38Å; V46-V93 HydrophobicContact CG2-CG1 3.81Å; V46-K94 PolarHBondContact N-O 3.34Å; V46-L95 HydrophobicContact CB-CD1 4.18Å; V46-L95 HydrophobicContact CG1-CD1 3.95Å; V46-L95 WeakPolarHBondContact O-CA 3.33Å; V46-Q96 PolarHBondContact O-N 3.49Å; V46-D118 HydrophobicContact CG1-CB 4.46Å; V46-I119 HydrophobicContact CG1-CG2 4.23Å; V46-I219 HydrophobicContact CG2-CG1 4.44Å
47	K	97.6	Very high	82	Confident	29 Å²	29	58.3 Å²	58.3	13%	0.126	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	107.8	169.3	-177.1	-179.9	172.7	-175	0	109.2	V49 Q96 C98 C113 T115 D118 I119	K47-V49 HydrophobicContact CG-CG2 4.47Å; K47-Q96 WeakPolarHBondContact CA-O 3.08Å; K47-C98 WeakPolarHBondContact CE-SG 3.33Å; K47-C113 WeakPolarHBondContact CE-O 3.38Å; K47-C113 PolarHBondContact NZ-O 3.1Å; K47-T115 PolarHBondContact NZ-O 3.32Å; K47-D118 PolarHBondContact N-OD2 3.38Å; K47-D118 PolarHBondContact O-N 3.07Å; K47-I119 PolarHBondContact O-N 2.94Å
48	C	98.3	Very high	84.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.4	175.4	179.7	0	0	0	0	109.4	L95 Q96 L97 C98 I119	C48-L95 HydrophobicContact CB-CD1 4.04Å; C48-Q96 PolarHBondContact N-O 3.28Å; C48-L97 HydrophobicContact CB-CD2 3.88Å; C48-L97 WeakPolarHBondContact O-CA 3.43Å; C48-C98 PolarHBondContact O-N 2.93Å; C48-I119 WeakPolarHBondContact CA-O 3Å; C48-I119 HydrophobicContact CB-CG2 3.88Å
49	V	98.4	Very high	87.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.4	178.3	-173.4	0	0	0	0	109.4	K47 V51 C98 T100 Y114 A117 I119 F120 L121	K47-V49 HydrophobicContact CG-CG2 4.47Å; V49-V51 HydrophobicContact CG1-CG1 4.02Å; V49-C98 HydrophobicContact CB-CB 4.37Å; V49-C98 HydrophobicContact CG1-CB 4.18Å; V49-C98 HydrophobicContact CG2-CB 4.06Å; V49-T100 HydrophobicContact CG1-CG2 3.83Å; V49-Y114 HydrophobicContact CG1-CD1 3.99Å; V49-Y114 HydrophobicContact CG1-CE1 4Å; V49-A117 HydrophobicContact CG2-CB 3.68Å; V49-I119 PolarHBondContact N-O 3.04Å; V49-F120 HydrophobicContact CB-CD1 3.9Å; V49-F120 HydrophobicContact CB-CE1 3.91Å; V49-F120 HydrophobicContact CG1-CD1 4.28Å; V49-F120 HydrophobicContact CG1-CE1 4.11Å; V49-F120 HydrophobicContact CG2-CE1 4.45Å; V49-F120 VanDerWaalsContact O-CA 3.29Å; V49-F120 WeakPolarHBondContact O-CA 3.27Å; V49-L121 PolarHBondContact O-N 3.18Å
50	L	98.5	Very high	89.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.3	174.7	-69.7	78	0	0	0	109.4	K58 L61 I62 C98 T100 L121	L50-K58 HydrophobicContact CB-CB 4.33Å; L50-K58 HydrophobicContact CB-CD 4.39Å; L50-K58 HydrophobicContact CD2-CB 4.29Å; L50-L61 HydrophobicContact CD2-CD2 4.01Å; L50-I62 HydrophobicContact CD1-CD1 3.7Å; L50-I62 HydrophobicContact CD1-CG1 3.85Å; L50-I62 HydrophobicContact CD2-CD1 3.72Å; L50-I62 HydrophobicContact CD2-CG1 3.5Å; L50-I62 HydrophobicContact CG-CD1 4.14Å; L50-I62 HydrophobicContact CG-CG1 4.26Å; L50-C98 PolarHBondContact N-O 2.73Å; L50-T100 PolarHBondContact O-OG1 3Å; L50-L121 WeakPolarHBondContact CA-O 3.44Å; L50-L121 HydrophobicContact CD1-CD1 4.35Å; L50-L121 HydrophobicContact CD2-CD1 4.33Å; L50-L121 HydrophobicContact CG-CB 4.1Å; L50-L121 HydrophobicContact CG-CD1 4.08Å
51	V	98.4	Very high	92	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.8	-180	-63.7	0	0	0	0	110.3	V49 Y114 F120 L121 L122 C123 W139 I143	V49-V51 HydrophobicContact CG1-CG1 4.02Å; V51-Y114 HydrophobicContact CG1-CE1 3.6Å; V51-Y114 WeakPolarHBondContact CG1-OH 3.35Å; V51-F120 HydrophobicContact CG1-CD1 4.21Å; V51-F120 HydrophobicContact CG1-CE1 4.46Å; V51-F120 HydrophobicContact CG2-CD1 4.12Å; V51-L121 PolarHBondContact N-O 3.17Å; V51-L122 HydrophobicContact CG2-CB 4.49Å; V51-L122 HydrophobicContact CG2-CD1 4Å; V51-C123 PolarHBondContact O-N 2.85Å; V51-W139 HydrophobicContact CB-CE3 4.27Å; V51-I143 HydrophobicContact CG2-CD1 3.82Å; V51-I143 HydrophobicContact CG2-CG1 4.18Å
52	G	98.4	Very high	93.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.			trans	140.3	171.6	-172	0	0	0	0	0	111.5	K58 G102 C123 W139	G52-K58 PolarHBondContact O-NZ 3.13Å; G52-G102 WeakPolarHBondContact O-CA 3.38Å; G52-C123 WeakPolarHBondContact CA-O 3.19Å; G52-W139 VanDerWaalsContact CA-CE2 3.47Å; G52-W139 VanDerWaalsContact O-CZ2 3.28Å; G52-W139 WeakPolarHBondContact O-CZ2 3.32Å
53	D	98.2	Very high	95.5	Very high	24 Å²	24	27.3 Å²	27.3	13%	0.128	15%	0.151	C	C	.	.	S	Bend	trans	-56.7	163.5	-175	-79.9	15.2	0	0	0	114.2	V56 K58 S131 N134 W139	D53-V56 HydrophobicContact CB-CG1 3.66Å; D53-V56 VanDerWaalsContact O-CG2 3.28Å; D53-V56 WeakPolarHBondContact O-CG2 3.3Å; D53-K58 PolarHBondContact O-NZ 2.92Å; D53-S131 WeakPolarHBondContact OD2-CA 3.43Å; D53-N134 PolarHBondContact OD1-ND2 2.92Å; D53-N134 PolarHBondContact OD2-ND2 3.02Å; D53-W139 PolarHBondContact OD1-NE1 3.29Å
54	G	94.4	Very high	96.3	Very high	31 Å²	31	23.4 Å²	23.4	32%	0.32	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	148.3	167.2	0	0	0	0	0	111.3	V56 G102	G54-V56 PolarHBondContact O-N 3.1Å; G54-G102 PolarHBondContact N-O 3.09Å
55	A	94.4	Very high	96.5	Very high	66 Å²	66	20.5 Å²	20.5	55%	0.545	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	4.4	174.8	0	0	0	0	0	117.9	G57 Q158	A55-G57 PolarHBondContact O-N 3.05Å; A55-G57 VanDerWaalsContact O-N 3.08Å; A55-Q158 PolarHBondContact O-NE2 3.01Å
56	V	97.6	Very high	96.3	Very high	3 Å²	3	17 Å²	17	2%	0.018	11%	0.111	C	C	.	.	S	Bend	trans	-72.9	5.6	174.5	-53.5	0	0	0	0	114.1	D53 G54 K58 C123 T157	D53-V56 HydrophobicContact CB-CG1 3.66Å; D53-V56 VanDerWaalsContact O-CG2 3.28Å; D53-V56 WeakPolarHBondContact O-CG2 3.3Å; G54-V56 PolarHBondContact O-N 3.1Å; V56-K58 HydrophobicContact CG2-CD 4.41Å; V56-K58 HydrophobicContact CG2-CG 3.81Å; V56-C123 HydrophobicContact CG2-CB 3.98Å; V56-T157 VanDerWaalsContact O-CB 3.27Å; V56-T157 WeakPolarHBondContact O-CB 3.08Å; V56-T157 PolarHBondContact O-OG1 2.9Å
57	G	96.4	Very high	95.9	Very high	13 Å²	13	21.1 Å²	21.1	13%	0.134	14%	0.137	C	C	.	.	S	Bend	trans	84.7	21.3	173.3	0	0	0	0	0	116.8	A55 T59 S60 L61	A55-G57 PolarHBondContact O-N 3.05Å; A55-G57 VanDerWaalsContact O-N 3.08Å; G57-T59 PolarHBondContact O-N 3.42Å; G57-S60 PolarHBondContact O-N 3.34Å; G57-L61 WeakPolarHBondContact O-CB 3.18Å; G57-L61 PolarHBondContact O-N 3.35Å
58	K	97.6	Very high	95.3	Very high	11 Å²	11	25.8 Å²	25.8	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-55.3	-50.4	174.3	-58.1	-172.9	-60.5	-76.3	0	112.5	L50 G52 D53 V56 L61 I62 T100 C123	L50-K58 HydrophobicContact CB-CB 4.33Å; L50-K58 HydrophobicContact CB-CD 4.39Å; L50-K58 HydrophobicContact CD2-CB 4.29Å; G52-K58 PolarHBondContact O-NZ 3.13Å; D53-K58 PolarHBondContact O-NZ 2.92Å; V56-K58 HydrophobicContact CG2-CD 4.41Å; V56-K58 HydrophobicContact CG2-CG 3.81Å; K58-L61 WeakPolarHBondContact O-CB 3.08Å; K58-L61 PolarHBondContact O-N 2.94Å; K58-I62 PolarHBondContact O-N 3.4Å; K58-I62 VanDerWaalsContact O-N 3.12Å; K58-T100 WeakPolarHBondContact CE-O 3.41Å; K58-C123 HydrophobicContact CD-CB 4.49Å; K58-C123 HydrophobicContact CG-CB 3.94Å
59	T	95.9	Very high	94.5	Very high	34 Å²	34	27 Å²	27	21%	0.209	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-45.5	177.9	-44.4	0	0	0	0	111.5	G57 L61 I62 V63 T77 D99	G57-T59 PolarHBondContact O-N 3.42Å; T59-L61 VanDerWaalsContact C-N 3.25Å; T59-L61 PolarHBondContact O-N 3.17Å; T59-I62 PolarHBondContact O-N 2.88Å; T59-V63 HydrophobicContact CG2-CG2 4.31Å; T59-V63 WeakPolarHBondContact O-CB 3.19Å; T59-V63 WeakPolarHBondContact O-CG2 3.46Å; T59-V63 PolarHBondContact O-N 3.19Å; T59-T77 PolarHBondContact OG1-OG1 3.39Å; T59-D99 WeakPolarHBondContact CA-OD2 3.3Å; T59-D99 VanDerWaalsContact CB-OD2 3.24Å; T59-D99 WeakPolarHBondContact CB-OD2 3.32Å; T59-D99 WeakPolarHBondContact CG2-OD2 3.46Å; T59-D99 PolarHBondContact OG1-OD2 2.91Å
60	S	95.9	Very high	93.6	Very high	15 Å²	15	32 Å²	32	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-37.2	175.9	-53.9	0	0	0	0	112.1	G57 S64	G57-S60 PolarHBondContact O-N 3.34Å; S60-S64 WeakPolarHBondContact O-CB 3.13Å; S60-S64 PolarHBondContact O-N 2.84Å
61	L	96.8	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-48.4	176	-170.5	70.3	0	0	0	111.5	L50 G57 K58 T59 Y65 L121 V155 C199 S201 L207 V210 F211	L50-L61 HydrophobicContact CD2-CD2 4.01Å; G57-L61 WeakPolarHBondContact O-CB 3.18Å; G57-L61 PolarHBondContact O-N 3.35Å; K58-L61 WeakPolarHBondContact O-CB 3.08Å; K58-L61 PolarHBondContact O-N 2.94Å; T59-L61 VanDerWaalsContact C-N 3.25Å; T59-L61 PolarHBondContact O-N 3.17Å; L61-Y65 WeakPolarHBondContact O-CB 3.34Å; L61-Y65 PolarHBondContact O-N 3.39Å; L61-Y65 VanDerWaalsContact O-N 3.08Å; L61-L121 HydrophobicContact CD2-CD1 4.41Å; L61-V155 HydrophobicContact CD2-CG1 4.43Å; L61-C199 WeakPolarHBondContact CD1-SG 3.22Å; L61-S201 VanDerWaalsContact CA-OG 3.25Å; L61-S201 WeakPolarHBondContact CA-OG 3.45Å; L61-S201 PolarHBondContact N-OG 3.1Å; L61-L207 HydrophobicContact CD1-CD1 3.35Å; L61-L207 HydrophobicContact CG-CD1 4.18Å; L61-V210 HydrophobicContact CD2-CG1 4.33Å; L61-F211 HydrophobicContact CD1-CE2 4.43Å; L61-F211 HydrophobicContact CD2-CE2 4.49Å; L61-F211 HydrophobicContact CD2-CZ 4.27Å; L61-F211 HydrophobicContact CG-CE2 3.95Å; L61-F211 HydrophobicContact CG-CZ 3.95Å
62	I	95.8	Very high	91.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-47.4	179	-63.6	165.3	0	0	0	111.4	L50 K58 T59 Y65 T66 F82 L97 D99	L50-I62 HydrophobicContact CD1-CD1 3.7Å; L50-I62 HydrophobicContact CD1-CG1 3.85Å; L50-I62 HydrophobicContact CD2-CD1 3.72Å; L50-I62 HydrophobicContact CD2-CG1 3.5Å; L50-I62 HydrophobicContact CG-CD1 4.14Å; L50-I62 HydrophobicContact CG-CG1 4.26Å; K58-I62 PolarHBondContact O-N 3.4Å; K58-I62 VanDerWaalsContact O-N 3.12Å; T59-I62 PolarHBondContact O-N 2.88Å; I62-Y65 PolarHBondContact O-N 2.93Å; I62-T66 HydrophobicContact CG2-CG2 4.27Å; I62-T66 WeakPolarHBondContact O-CB 3.41Å; I62-T66 WeakPolarHBondContact O-CG2 3.48Å; I62-T66 PolarHBondContact O-N 2.94Å; I62-T66 PolarHBondContact O-OG1 2.93Å; I62-F82 HydrophobicContact CD1-CD2 4.44Å; I62-F82 HydrophobicContact CG2-CB 3.95Å; I62-F82 HydrophobicContact CG2-CD1 4.07Å; I62-F82 HydrophobicContact CG2-CD2 3.41Å; I62-F82 VanDerWaalsContact CG2-CD2 3.41Å; I62-F82 HydrophobicContact CG2-CE1 4.45Å; I62-F82 HydrophobicContact CG2-CE2 3.84Å; I62-F82 HydrophobicContact CG2-CG 3.54Å; I62-F82 HydrophobicContact CG2-CZ 4.35Å; I62-L97 HydrophobicContact CG1-CD1 4.44Å; I62-L97 HydrophobicContact CG2-CB 4.29Å; I62-L97 HydrophobicContact CG2-CD1 3.79Å; I62-D99 HydrophobicContact CD1-CB 3.44Å; I62-D99 VanDerWaalsContact CD1-CB 3.44Å
63	V	93.6	Very high	90.5	Very high	31 Å²	31	47.3 Å²	47.3	19%	0.188	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-45.5	-178.2	172.4	0	0	0	0	110.3	T59 Y65 T66 T67 P71	T59-V63 HydrophobicContact CG2-CG2 4.31Å; T59-V63 WeakPolarHBondContact O-CB 3.19Å; T59-V63 WeakPolarHBondContact O-CG2 3.46Å; T59-V63 PolarHBondContact O-N 3.19Å; V63-Y65 VanDerWaalsContact C-N 3.31Å; V63-Y65 PolarHBondContact O-N 3.13Å; V63-T66 PolarHBondContact O-N 3.18Å; V63-T66 PolarHBondContact O-OG1 3.49Å; V63-T67 HydrophobicContact CG1-CG2 4.27Å; V63-T67 WeakPolarHBondContact O-CB 3.33Å; V63-T67 PolarHBondContact O-N 2.88Å; V63-T67 PolarHBondContact O-OG1 3.28Å; V63-P71 HydrophobicContact CG1-CB 4.4Å; V63-P71 HydrophobicContact CG1-CG 4.49Å
64	S	94.4	Very high	89.2	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-43.6	177.3	-166.7	0	0	0	0	111.8	S60 N68 G69 S201 L207	S60-S64 WeakPolarHBondContact O-CB 3.13Å; S60-S64 PolarHBondContact O-N 2.84Å; S64-N68 WeakPolarHBondContact O-CA 3.48Å; S64-N68 PolarHBondContact O-N 2.87Å; S64-G69 WeakPolarHBondContact CA-O 2.9Å; S64-S201 WeakPolarHBondContact CB-O 3.38Å; S64-S201 PolarHBondContact OG-O 3.36Å; S64-L207 VanDerWaalsContact OG-CD2 3.31Å; S64-L207 WeakPolarHBondContact OG-CD2 3.23Å
65	Y	94.5	Very high	88.3	Confident	46 Å²	46	56.1 Å²	56.1	18%	0.18	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-41.3	178.8	176.9	-105.1	0	0	0	113.2	L61 I62 V63 V86 L95 L97 L207 F211	L61-Y65 WeakPolarHBondContact O-CB 3.34Å; L61-Y65 PolarHBondContact O-N 3.39Å; L61-Y65 VanDerWaalsContact O-N 3.08Å; I62-Y65 PolarHBondContact O-N 2.93Å; V63-Y65 VanDerWaalsContact C-N 3.31Å; V63-Y65 PolarHBondContact O-N 3.13Å; Y65-V86 VanDerWaalsContact OH-CG1 3.28Å; Y65-V86 WeakPolarHBondContact OH-CG1 3.34Å; Y65-L95 HydrophobicContact CE1-CD2 3.88Å; Y65-L97 HydrophobicContact CD1-CD1 4.09Å; Y65-L97 HydrophobicContact CE1-CD1 4.48Å; Y65-L207 HydrophobicContact CD2-CG 4.48Å; Y65-F211 HydrophobicContact CD1-CD1 4.26Å; Y65-F211 AromaticContact CD1-CD2 3.88Å; Y65-F211 HydrophobicContact CD1-CD2 3.88Å; Y65-F211 HydrophobicContact CD1-CE1 4.34Å; Y65-F211 AromaticContact CD1-CE2 4Å; Y65-F211 HydrophobicContact CD1-CE2 4Å; Y65-F211 HydrophobicContact CD1-CG 4.03Å; Y65-F211 HydrophobicContact CD1-CZ 4.22Å; Y65-F211 HydrophobicContact CD2-CB 4.24Å; Y65-F211 AromaticContact CD2-CD2 3.25Å; Y65-F211 HydrophobicContact CD2-CD2 3.25Å; Y65-F211 AromaticContact CD2-CE2 3.78Å; Y65-F211 HydrophobicContact CD2-CE2 3.78Å; Y65-F211 AromaticContact CD2-CG 3.89Å; Y65-F211 HydrophobicContact CD2-CG 3.89Å; Y65-F211 HydrophobicContact CE1-CB 4.28Å; Y65-F211 HydrophobicContact CE1-CD1 4.29Å; Y65-F211 HydrophobicContact CE1-CD2 4.25Å; Y65-F211 HydrophobicContact CE1-CG 4.01Å; Y65-F211 HydrophobicContact CE2-CB 3.72Å; Y65-F211 AromaticContact CE2-CD2 3.66Å; Y65-F211 HydrophobicContact CE2-CD2 3.66Å; Y65-F211 AromaticContact CE2-CG 3.85Å; Y65-F211 HydrophobicContact CE2-CG 3.85Å; Y65-F211 AromaticContact CG-CD2 3.35Å; Y65-F211 HydrophobicContact CG-CD2 3.35Å; Y65-F211 AromaticContact CG-CE2 3.43Å; Y65-F211 HydrophobicContact CG-CE2 3.43Å; Y65-F211 VanDerWaalsContact CG-CE2 3.43Å; Y65-F211 AromaticContact CG-CG 3.96Å; Y65-F211 HydrophobicContact CG-CG 3.96Å; Y65-F211 HydrophobicContact CG-CZ 4.07Å; Y65-F211 AromaticContact CZ-CG 3.9Å
66	T	91.1	Very high	87.5	Confident	51 Å²	51	56.9 Å²	56.9	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-84.2	-25.8	-173.7	53.8	0	0	0	0	113.8	I62 V63 F82 L97	I62-T66 HydrophobicContact CG2-CG2 4.27Å; I62-T66 WeakPolarHBondContact O-CB 3.41Å; I62-T66 WeakPolarHBondContact O-CG2 3.48Å; I62-T66 PolarHBondContact O-N 2.94Å; I62-T66 PolarHBondContact O-OG1 2.93Å; V63-T66 PolarHBondContact O-N 3.18Å; V63-T66 PolarHBondContact O-OG1 3.49Å; T66-F82 HydrophobicContact CG2-CB 4.46Å; T66-L97 HydrophobicContact CG2-CD1 3.96Å
67	T	88.4	Confident	86.7	Confident	89 Å²	89	57.3 Å²	57.3	55%	0.546	32%	0.316	S	S	.	.	H	α-helix	trans	-111.3	-9	-174.9	69.2	0	0	0	0	113.8	V63 G69	V63-T67 HydrophobicContact CG1-CG2 4.27Å; V63-T67 WeakPolarHBondContact O-CB 3.33Å; V63-T67 PolarHBondContact O-N 2.88Å; V63-T67 PolarHBondContact O-OG1 3.28Å; T67-G69 PolarHBondContact O-N 3.43Å; T67-G69 PolarHBondContact OG1-N 3.3Å; T67-G69 PolarHBondContact OG1-O 3.31Å
68	N	83.8	Confident	85.7	Confident	126 Å²	126	59.4 Å²	59.4	67%	0.674	33%	0.331	S	S	*	.	S	Bend	trans	57	30.6	-171.5	-155.1	68.1	0	0	0	112.6	S64 Q204	S64-N68 WeakPolarHBondContact O-CA 3.48Å; S64-N68 PolarHBondContact O-N 2.87Å; N68-Q204 VanDerWaalsContact C-NE2 3.3Å; N68-Q204 PolarHBondContact O-NE2 2.86Å
69	G	82.4	Confident	84.6	Confident	27 Å²	27	63.1 Å²	63.1	28%	0.278	35%	0.348	S	S	.	.	S	Bend	trans	-153.8	155.6	-178.6	0	0	0	0	0	112.2	S64 T67	S64-G69 WeakPolarHBondContact CA-O 2.9Å; T67-G69 PolarHBondContact O-N 3.43Å; T67-G69 PolarHBondContact OG1-N 3.3Å; T67-G69 PolarHBondContact OG1-O 3.31Å
70	Y	78.9	Confident	84.2	Confident	104 Å²	104	65.1 Å²	65.1	41%	0.408	36%	0.357	S	S	.	.			trans	-95.5	138.7	-176.1	-170.7	-98.7	0	0	0	111.6	T72 S201 L202	Y70-T72 PolarHBondContact O-N 2.79Å; Y70-S201 WeakPolarHBondContact CD2-O 3.48Å; Y70-L202 HydrophobicContact CD1-CD1 3.81Å; Y70-L202 VanDerWaalsContact CD2-CA 3.49Å; Y70-L202 HydrophobicContact CD2-CB 4.15Å; Y70-L202 HydrophobicContact CD2-CD1 4.28Å; Y70-L202 HydrophobicContact CE1-CD1 4.08Å; Y70-L202 HydrophobicContact CE2-CB 4.03Å; Y70-L202 HydrophobicContact CG-CD1 3.92Å
71	P	79.8	Confident	83.9	Confident	35 Å²	35	68 Å²	68	23%	0.227	37%	0.372	C	S	.	.			trans	-64.2	129.1	177.6	26.3	-33.9	0	0	0	111.1	V63	V63-P71 HydrophobicContact CG1-CB 4.4Å; V63-P71 HydrophobicContact CG1-CG 4.49Å
72	T	75	Confident	83.6	Confident	142 Å²	142	70.8 Å²	70.8	87%	0.871	38%	0.383	S	S	*	.	S	Bend	trans	-82.4	-20	179.4	50.9	0	0	0	0	113.3	Y70	Y70-T72 PolarHBondContact O-N 2.79Å
73	E	76.6	Confident	83.4	Confident	145 Å²	145	75 Å²	75	68%	0.678	42%	0.418	S	S	*	.	S	Bend	trans	-125.5	137	179.7	-66.4	-177.1	-179.1	0	0	110.2
74	Y	69.8	Low	83.2	Confident	140 Å²	140	74.7 Å²	74.7	55%	0.549	42%	0.419	S	S	.	.			trans	-86.6	114.3	174.4	-180	-109.4	0	0	0	110.1	P76	Y74-P76 HydrophobicContact CD1-CG 4.41Å; Y74-P76 HydrophobicContact CE1-CB 4.46Å; Y74-P76 HydrophobicContact CE1-CG 3.81Å
75	V	76.1	Confident	83.1	Confident	100 Å²	100	79.4 Å²	79.4	61%	0.606	45%	0.447	S	S	*	.			trans	-113	120.1	169.8	-178.3	0	0	0	0	107.6	T77	V75-T77 PolarHBondContact O-N 2.85Å
76	P	77.2	Confident	83	Confident	82 Å²	82	78.2 Å²	78.2	53%	0.532	45%	0.445	S	S	.	.			trans	-59.9	125.4	176.5	-23.5	32.6	0	0	0	112	Y74	Y74-P76 HydrophobicContact CD1-CG 4.41Å; Y74-P76 HydrophobicContact CE1-CB 4.46Å; Y74-P76 HydrophobicContact CE1-CG 3.81Å
77	T	80.7	Confident	82.9	Confident	12 Å²	12	79.9 Å²	79.9	7%	0.074	46%	0.464	C	S	.	.			trans	-77.4	131.3	177.4	-57.9	0	0	0	0	111.3	T59 V75 D99 A101	T59-T77 PolarHBondContact OG1-OG1 3.39Å; V75-T77 PolarHBondContact O-N 2.85Å; T77-D99 HydrophobicContact CG2-CB 4.18Å; T77-D99 WeakPolarHBondContact CG2-OD2 3.45Å; T77-D99 PolarHBondContact OG1-OD2 3.15Å; T77-A101 WeakPolarHBondContact O-CA 3.45Å; T77-A101 VanDerWaalsContact O-CB 3.26Å; T77-A101 WeakPolarHBondContact O-CB 3.44Å
78	A	75.9	Confident	82.9	Confident	56 Å²	56	77 Å²	77	46%	0.463	45%	0.446	S	S	.	.	S	Bend	trans	-86.3	-57.6	160.2	0	0	0	0	0	110	A101 F106	A78-A101 WeakPolarHBondContact O-CB 3.49Å; A78-A101 PolarHBondContact O-N 2.87Å; A78-F106 HydrophobicContact CB-CE1 3.85Å; A78-F106 HydrophobicContact CB-CZ 4.05Å
79	F	74.3	Confident	83.1	Confident	90 Å²	90	78.3 Å²	78.3	40%	0.395	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	133.9	175.1	172.3	-111.7	0	0	0	110.3	N81 C98 D99 C113	F79-N81 WeakPolarHBondContact CE1-ND2 3.33Å; F79-N81 WeakPolarHBondContact CZ-ND2 3.26Å; F79-C98 HydrophobicContact CE2-CB 4.42Å; F79-D99 VanDerWaalsContact CD2-O 3.3Å; F79-D99 WeakPolarHBondContact CD2-O 3.3Å; F79-C113 WeakPolarHBondContact CD2-SG 3.49Å; F79-C113 HydrophobicContact CE2-CB 3.98Å; F79-C113 WeakPolarHBondContact CE2-SG 3.39Å
80	D	87.3	Confident	83.2	Confident	76 Å²	76	80.6 Å²	80.6	41%	0.406	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.2	175.2	-76.3	-57.2	0	0	0	112.4	F82 D99	D80-F82 HydrophobicContact CB-CD2 4.3Å; D80-F82 HydrophobicContact CB-CE2 3.49Å; D80-F82 VanDerWaalsContact CB-CE2 3.49Å; D80-F82 HydrophobicContact CB-CZ 4Å; D80-D99 HydrophobicContact CB-CB 4.17Å; D80-D99 PolarHBondContact N-O 2.85Å; D80-D99 PolarHBondContact O-N 3.02Å
81	N	89.3	Confident	83.7	Confident	76 Å²	76	82.6 Å²	82.6	41%	0.406	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.6	172.9	-71.3	-72.3	0	0	0	110.8	F79 Q96 L97 C98	F79-N81 WeakPolarHBondContact CE1-ND2 3.33Å; F79-N81 WeakPolarHBondContact CZ-ND2 3.26Å; N81-Q96 PolarHBondContact OD1-NE2 2.59Å; N81-L97 WeakPolarHBondContact CA-O 3.48Å; N81-C98 PolarHBondContact OD1-SG 2.78Å
82	F	90.9	Very high	84.3	Confident	57 Å²	57	84.6 Å²	84.6	25%	0.25	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	154.9	173.1	-54.5	-101.1	0	0	0	109.9	I62 T66 D80 Q96 L97 D99	I62-F82 HydrophobicContact CD1-CD2 4.44Å; I62-F82 HydrophobicContact CG2-CB 3.95Å; I62-F82 HydrophobicContact CG2-CD1 4.07Å; I62-F82 HydrophobicContact CG2-CD2 3.41Å; I62-F82 VanDerWaalsContact CG2-CD2 3.41Å; I62-F82 HydrophobicContact CG2-CE1 4.45Å; I62-F82 HydrophobicContact CG2-CE2 3.84Å; I62-F82 HydrophobicContact CG2-CG 3.54Å; I62-F82 HydrophobicContact CG2-CZ 4.35Å; T66-F82 HydrophobicContact CG2-CB 4.46Å; D80-F82 HydrophobicContact CB-CD2 4.3Å; D80-F82 HydrophobicContact CB-CE2 3.49Å; D80-F82 VanDerWaalsContact CB-CE2 3.49Å; D80-F82 HydrophobicContact CB-CZ 4Å; F82-Q96 WeakPolarHBondContact O-CA 3.4Å; F82-L97 HydrophobicContact CB-CB 4.18Å; F82-L97 PolarHBondContact N-O 2.62Å; F82-L97 PolarHBondContact O-N 2.84Å; F82-D99 HydrophobicContact CE2-CB 4.15Å
83	A	91.4	Very high	85.2	Confident	89 Å²	89	78 Å²	78	74%	0.736	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	135.4	176.5	0	0	0	0	0	110.3	L95	A83-L95 VanDerWaalsContact CA-O 3.3Å; A83-L95 WeakPolarHBondContact CA-O 3.45Å
84	A	90.3	Very high	86.1	Confident	24 Å²	24	75.6 Å²	75.6	20%	0.198	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.1	174.1	0	0	0	0	0	109.8	L95	A84-L95 PolarHBondContact N-O 2.97Å; A84-L95 PolarHBondContact O-N 2.89Å
85	V	91.6	Very high	87.4	Confident	100 Å²	100	69.1 Å²	69.1	61%	0.606	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.5	170.1	-179.7	0	0	0	0	107.5	P92 V93 K94	V85-P92 HydrophobicContact CG1-CB 3.97Å; V85-V93 WeakPolarHBondContact CA-O 3.43Å; V85-K94 HydrophobicContact CG2-CG 4.38Å
86	V	91.9	Very high	88.4	Confident	21 Å²	21	66.5 Å²	66.5	13%	0.127	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.1	-175.6	-59	0	0	0	0	109.3	Y65 V88 P92 V93 L95 I215	Y65-V86 VanDerWaalsContact OH-CG1 3.28Å; Y65-V86 WeakPolarHBondContact OH-CG1 3.34Å; V86-V88 HydrophobicContact CG2-CG2 4.49Å; V86-P92 CarbonylContact O-C 3.48Å; V86-V93 HydrophobicContact CG2-CB 3.92Å; V86-V93 HydrophobicContact CG2-CG1 4.4Å; V86-V93 PolarHBondContact N-O 2.83Å; V86-V93 PolarHBondContact O-N 2.73Å; V86-L95 HydrophobicContact CG2-CB 4.49Å; V86-I215 HydrophobicContact CB-CD1 4.46Å; V86-I215 HydrophobicContact CG2-CD1 3.7Å
87	A	89.3	Confident	89.3	Confident	86 Å²	86	62.6 Å²	62.6	71%	0.711	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	124.4	177.6	0	0	0	0	0	110.1	K91	A87-K91 WeakPolarHBondContact CA-O 3.48Å
88	V	88.9	Confident	90.1	Very high	29 Å²	29	62.1 Å²	62.1	18%	0.176	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.4	173.5	-175.3	0	0	0	0	107.6	V86 G90 K91 V93 I215 I219	V86-V88 HydrophobicContact CG2-CG2 4.49Å; V88-G90 PolarHBondContact O-N 3.5Å; V88-K91 PolarHBondContact N-O 2.63Å; V88-K91 WeakPolarHBondContact O-CB 3.42Å; V88-K91 PolarHBondContact O-N 3.36Å; V88-V93 HydrophobicContact CB-CG2 4.01Å; V88-V93 HydrophobicContact CG2-CB 4.36Å; V88-V93 HydrophobicContact CG2-CG2 3.76Å; V88-I215 HydrophobicContact CG2-CG2 3.61Å; V88-I219 HydrophobicContact CG1-CD1 4.19Å
89	D	87.2	Confident	91	Very high	154 Å²	154	59.4 Å²	59.4	82%	0.824	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	40.1	-174.2	-54.5	-36.1	0	0	0	113	K91	D89-K91 PolarHBondContact O-N 2.81Å
90	G	85.8	Confident	92	Very high	75 Å²	75	55.3 Å²	55.3	77%	0.773	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	3.7	-177.6	0	0	0	0	0	115.3	V88	V88-G90 PolarHBondContact O-N 3.5Å
91	K	89	Confident	92.2	Very high	146 Å²	146	51.8 Å²	51.8	64%	0.635	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.6	178.2	-64.1	176.5	-176	169.9	0	111.2	A87 V88 D89	A87-K91 WeakPolarHBondContact CA-O 3.48Å; V88-K91 PolarHBondContact N-O 2.63Å; V88-K91 WeakPolarHBondContact O-CB 3.42Å; V88-K91 PolarHBondContact O-N 3.36Å; D89-K91 PolarHBondContact O-N 2.81Å
92	P	91.4	Very high	92.2	Very high	76 Å²	76	48.4 Å²	48.4	49%	0.494	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.7	176.3	29.1	-33.9	0	0	0	111	V85 V86	V85-P92 HydrophobicContact CG1-CB 3.97Å; V86-P92 CarbonylContact O-C 3.48Å
93	V	94.3	Very high	92.1	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128	173.6	178.4	0	0	0	0	108.2	R44 V46 V85 V86 V88 L95 I215 I219	R44-V93 HydrophobicContact CB-CG2 4.27Å; R44-V93 CarbonylContact O-C 3.46Å; R44-V93 WeakPolarHBondContact O-CA 2.96Å; V46-V93 HydrophobicContact CB-CG1 4.38Å; V46-V93 HydrophobicContact CG2-CG1 3.81Å; V85-V93 WeakPolarHBondContact CA-O 3.43Å; V86-V93 HydrophobicContact CG2-CB 3.92Å; V86-V93 HydrophobicContact CG2-CG1 4.4Å; V86-V93 PolarHBondContact N-O 2.83Å; V86-V93 PolarHBondContact O-N 2.73Å; V88-V93 HydrophobicContact CB-CG2 4.01Å; V88-V93 HydrophobicContact CG2-CB 4.36Å; V88-V93 HydrophobicContact CG2-CG2 3.76Å; V93-L95 PolarHBondContact O-N 2.73Å; V93-I215 HydrophobicContact CG1-CG2 4.36Å; V93-I219 HydrophobicContact CG2-CD1 4.41Å
94	K	95.4	Very high	92.1	Very high	95 Å²	95	49 Å²	49	41%	0.413	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106	172.3	-82.7	175.2	164.9	160.3	0	109.6	E43 R44 K45 V46 V85	E43-K94 VanDerWaalsContact CD-NZ 3.34Å; E43-K94 HydrophobicContact CG-CD 4.01Å; E43-K94 HydrophobicContact CG-CG 4.13Å; E43-K94 WeakPolarHBondContact OE1-CD 3.26Å; E43-K94 WeakPolarHBondContact OE1-CE 3.25Å; E43-K94 VanDerWaalsContact OE1-CG 3.3Å; E43-K94 WeakPolarHBondContact OE1-CG 3.26Å; E43-K94 IonicContact OE1-NZ 3.51Å; E43-K94 WeakPolarHBondContact OE2-CD 3.08Å; E43-K94 WeakPolarHBondContact OE2-CE 3.46Å; E43-K94 IonicContact OE2-NZ 2.62Å; E43-K94 PolarHBondContact OE2-NZ 2.9Å; R44-K94 PolarHBondContact O-N 3Å; K45-K94 CarbonylContact C-O 3.57Å; K45-K94 WeakPolarHBondContact CA-O 2.87Å; K45-K94 HydrophobicContact CB-CB 4.42Å; K45-K94 HydrophobicContact CG-CB 4.3Å; V46-K94 PolarHBondContact N-O 3.34Å; V85-K94 HydrophobicContact CG2-CG 4.38Å
95	L	96.3	Very high	92.2	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119	174.1	-177	63.1	0	0	0	109.5	V46 C48 Y65 A83 A84 V86 V93 L97 F211 I215	V46-L95 HydrophobicContact CB-CD1 4.18Å; V46-L95 HydrophobicContact CG1-CD1 3.95Å; V46-L95 WeakPolarHBondContact O-CA 3.33Å; C48-L95 HydrophobicContact CB-CD1 4.04Å; Y65-L95 HydrophobicContact CE1-CD2 3.88Å; A83-L95 VanDerWaalsContact CA-O 3.3Å; A83-L95 WeakPolarHBondContact CA-O 3.45Å; A84-L95 PolarHBondContact N-O 2.97Å; A84-L95 PolarHBondContact O-N 2.89Å; V86-L95 HydrophobicContact CG2-CB 4.49Å; V93-L95 PolarHBondContact O-N 2.73Å; L95-L97 HydrophobicContact CD1-CD2 3.92Å; L95-L97 HydrophobicContact CD2-CD1 4.38Å; L95-L97 HydrophobicContact CD2-CD2 3.68Å; L95-L97 HydrophobicContact CD2-CG 4.12Å; L95-L97 HydrophobicContact CG-CD2 3.65Å; L95-L97 HydrophobicContact CG-CG 4.03Å; L95-F211 HydrophobicContact CD2-CD1 4.36Å; L95-I215 HydrophobicContact CD1-CG1 4.06Å; L95-I215 HydrophobicContact CD2-CD1 4.19Å; L95-I215 HydrophobicContact CD2-CG1 4.46Å
96	Q	97.2	Very high	92.2	Very high	46 Å²	46	53.4 Å²	53.4	22%	0.215	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.1	167.5	178.2	175.3	0.6	0	0	108.1	V46 K47 C48 N81 F82	V46-Q96 PolarHBondContact O-N 3.49Å; K47-Q96 WeakPolarHBondContact CA-O 3.08Å; C48-Q96 PolarHBondContact N-O 3.28Å; N81-Q96 PolarHBondContact OD1-NE2 2.59Å; F82-Q96 WeakPolarHBondContact O-CA 3.4Å
97	L	97.2	Very high	92.3	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.7	176.5	-56.8	175.1	0	0	0	108.6	C48 I62 Y65 T66 N81 F82 L95 F211	C48-L97 HydrophobicContact CB-CD2 3.88Å; C48-L97 WeakPolarHBondContact O-CA 3.43Å; I62-L97 HydrophobicContact CG1-CD1 4.44Å; I62-L97 HydrophobicContact CG2-CB 4.29Å; I62-L97 HydrophobicContact CG2-CD1 3.79Å; Y65-L97 HydrophobicContact CD1-CD1 4.09Å; Y65-L97 HydrophobicContact CE1-CD1 4.48Å; T66-L97 HydrophobicContact CG2-CD1 3.96Å; N81-L97 WeakPolarHBondContact CA-O 3.48Å; F82-L97 HydrophobicContact CB-CB 4.18Å; F82-L97 PolarHBondContact N-O 2.62Å; F82-L97 PolarHBondContact O-N 2.84Å; L95-L97 HydrophobicContact CD1-CD2 3.92Å; L95-L97 HydrophobicContact CD2-CD1 4.38Å; L95-L97 HydrophobicContact CD2-CD2 3.68Å; L95-L97 HydrophobicContact CD2-CG 4.12Å; L95-L97 HydrophobicContact CG-CD2 3.65Å; L95-L97 HydrophobicContact CG-CG 4.03Å; L97-F211 HydrophobicContact CD1-CE1 3.93Å; L97-F211 HydrophobicContact CD1-CZ 4.48Å; L97-F211 HydrophobicContact CD2-CD1 3.9Å; L97-F211 HydrophobicContact CD2-CE1 3.64Å; L97-F211 HydrophobicContact CG-CE1 4.44Å
98	C	96.6	Very high	92.4	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.007	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.1	174.8	-62.2	0	0	0	0	108.8	K47 C48 V49 L50 F79 N81	K47-C98 WeakPolarHBondContact CE-SG 3.33Å; C48-C98 PolarHBondContact O-N 2.93Å; V49-C98 HydrophobicContact CB-CB 4.37Å; V49-C98 HydrophobicContact CG1-CB 4.18Å; V49-C98 HydrophobicContact CG2-CB 4.06Å; L50-C98 PolarHBondContact N-O 2.73Å; F79-C98 HydrophobicContact CE2-CB 4.42Å; N81-C98 PolarHBondContact OD1-SG 2.78Å
99	D	95.6	Very high	92.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.1	170.9	-162.9	13.5	0	0	0	109.4	T59 I62 T77 F79 D80 F82	T59-D99 WeakPolarHBondContact CA-OD2 3.3Å; T59-D99 VanDerWaalsContact CB-OD2 3.24Å; T59-D99 WeakPolarHBondContact CB-OD2 3.32Å; T59-D99 WeakPolarHBondContact CG2-OD2 3.46Å; T59-D99 PolarHBondContact OG1-OD2 2.91Å; I62-D99 HydrophobicContact CD1-CB 3.44Å; I62-D99 VanDerWaalsContact CD1-CB 3.44Å; T77-D99 HydrophobicContact CG2-CB 4.18Å; T77-D99 WeakPolarHBondContact CG2-OD2 3.45Å; T77-D99 PolarHBondContact OG1-OD2 3.15Å; F79-D99 VanDerWaalsContact CD2-O 3.3Å; F79-D99 WeakPolarHBondContact CD2-O 3.3Å; D80-D99 HydrophobicContact CB-CB 4.17Å; D80-D99 PolarHBondContact N-O 2.85Å; D80-D99 PolarHBondContact O-N 3.02Å; F82-D99 HydrophobicContact CE2-CB 4.15Å
100	T	95	Very high	93	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144	-178.1	71.8	0	0	0	0	111.7	V49 L50 K58 G102 R110 C113	V49-T100 HydrophobicContact CG1-CG2 3.83Å; L50-T100 PolarHBondContact O-OG1 3Å; K58-T100 WeakPolarHBondContact CE-O 3.41Å; T100-G102 PolarHBondContact O-N 3.48Å; T100-R110 HydrophobicContact CG2-CG 4.19Å; T100-C113 HydrophobicContact CG2-CB 4.01Å
101	A	90.9	Very high	93.4	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.025	27%	0.266	C	S	.	.			trans	-58.8	135.3	169.8	0	0	0	0	0	111.3	T77 A78 F106 R110	T77-A101 WeakPolarHBondContact O-CA 3.45Å; T77-A101 VanDerWaalsContact O-CB 3.26Å; T77-A101 WeakPolarHBondContact O-CB 3.44Å; A78-A101 WeakPolarHBondContact O-CB 3.49Å; A78-A101 PolarHBondContact O-N 2.87Å; A101-F106 HydrophobicContact CB-CB 3.62Å; A101-F106 HydrophobicContact CB-CD1 4.06Å; A101-F106 HydrophobicContact CB-CD2 3.3Å; A101-F106 HydrophobicContact CB-CE2 3.9Å; A101-F106 HydrophobicContact CB-CG 3.38Å; A101-F106 HydrophobicContact CB-CZ 4.5Å; A101-R110 PolarHBondContact O-NE 2.55Å; A101-R110 PolarHBondContact O-NH2 3.49Å
102	G	89.3	Confident	93.6	Very high	5 Å²	5	53.5 Å²	53.5	5%	0.052	27%	0.267	C	S	.	.			trans	-93	-6.7	177.3	0	0	0	0	0	114.3	G52 G54 T100	G52-G102 WeakPolarHBondContact O-CA 3.38Å; G54-G102 PolarHBondContact N-O 3.09Å; T100-G102 PolarHBondContact O-N 3.48Å
103	Q	90.7	Very high	93.7	Very high	51 Å²	51	50.5 Å²	50.5	24%	0.238	25%	0.248	C	C	.	.	S	Bend	trans	-84.9	151.2	-176.8	-48.6	83.1	-13.1	0	0	111.8	E105 F106 R110	Q103-E105 WeakPolarHBondContact CB-OE2 3.45Å; Q103-E105 PolarHBondContact O-N 3.04Å; Q103-F106 HydrophobicContact CB-CD2 4.27Å; Q103-F106 PolarHBondContact O-N 3.44Å; Q103-F106 VanDerWaalsContact O-N 3.17Å; Q103-R110 PolarHBondContact O-NH2 3.03Å
104	D	90.4	Very high	93.8	Very high	108 Å²	108	50.5 Å²	50.5	58%	0.578	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-65	-26.7	-173.3	-65.5	-11.8	0	0	0	112.8	F106 D107 K138	D104-F106 PolarHBondContact O-N 3.3Å; D104-D107 WeakPolarHBondContact O-CB 3.48Å; D104-D107 VanDerWaalsContact O-CG 3.31Å; D104-D107 PolarHBondContact O-N 2.94Å; D104-K138 IonicContact OD1-NZ 2.63Å; D104-K138 PolarHBondContact OD1-NZ 3.35Å
105	E	92.3	Very high	93.6	Very high	153 Å²	153	50.1 Å²	50.1	72%	0.715	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-60.5	-21.5	177.9	-57.2	79.5	-171.8	0	0	112.2	Q103	Q103-E105 WeakPolarHBondContact CB-OE2 3.45Å; Q103-E105 PolarHBondContact O-N 3.04Å
106	F	92.5	Very high	93.4	Very high	62 Å²	62	56.3 Å²	56.3	27%	0.272	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-99.6	1.8	179.6	-61.4	-83.4	0	0	0	114	A78 A101 Q103 D104 K108 L109 R110	A78-F106 HydrophobicContact CB-CE1 3.85Å; A78-F106 HydrophobicContact CB-CZ 4.05Å; A101-F106 HydrophobicContact CB-CB 3.62Å; A101-F106 HydrophobicContact CB-CD1 4.06Å; A101-F106 HydrophobicContact CB-CD2 3.3Å; A101-F106 HydrophobicContact CB-CE2 3.9Å; A101-F106 HydrophobicContact CB-CG 3.38Å; A101-F106 HydrophobicContact CB-CZ 4.5Å; Q103-F106 HydrophobicContact CB-CD2 4.27Å; Q103-F106 PolarHBondContact O-N 3.44Å; Q103-F106 VanDerWaalsContact O-N 3.17Å; D104-F106 PolarHBondContact O-N 3.3Å; F106-K108 PolarHBondContact O-N 3.46Å; F106-K108 VanDerWaalsContact O-N 3.09Å; F106-L109 HydrophobicContact CD1-CD1 4.41Å; F106-L109 PolarHBondContact O-N 3.01Å; F106-R110 WeakPolarHBondContact O-CB 3.38Å; F106-R110 PolarHBondContact O-N 3.46Å
107	D	92.9	Very high	93.4	Very high	54 Å²	54	54.9 Å²	54.9	29%	0.289	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.4	-175.8	-78.9	-2.9	0	0	0	113.4	D104 R110 P111 K138	D104-D107 WeakPolarHBondContact O-CB 3.48Å; D104-D107 VanDerWaalsContact O-CG 3.31Å; D104-D107 PolarHBondContact O-N 2.94Å; D107-R110 IonicContact OD1-CZ 2.59Å; D107-R110 IonicContact OD1-NH1 2.73Å; D107-R110 PolarHBondContact OD1-NH1 2.75Å; D107-R110 IonicContact OD1-NH2 3.21Å; D107-R110 PolarHBondContact OD1-NH2 3.48Å; D107-P111 WeakPolarHBondContact O-CD 3.3Å; D107-K138 IonicContact OD1-NZ 2.76Å; D107-K138 PolarHBondContact OD1-NZ 3.36Å; D107-K138 IonicContact OD2-NZ 3.08Å; D107-K138 PolarHBondContact OD2-NZ 3.49Å
108	K	92.5	Very high	93.4	Very high	198 Å²	198	57.6 Å²	57.6	86%	0.861	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-26.1	177.6	-66.4	179.9	-177.9	172.8	0	113.6	F106	F106-K108 PolarHBondContact O-N 3.46Å; F106-K108 VanDerWaalsContact O-N 3.09Å
109	L	92.2	Very high	93.5	Very high	105 Å²	105	57.5 Å²	57.5	55%	0.55	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-33.8	-176.4	-63.8	178.6	0	0	0	111.9	F106 P111 L112	F106-L109 HydrophobicContact CD1-CD1 4.41Å; F106-L109 PolarHBondContact O-N 3.01Å; L109-P111 VanDerWaalsContact C-CD 3.43Å; L109-P111 VanDerWaalsContact C-N 3.33Å; L109-L112 HydrophobicContact CD2-CD1 4.25Å; L109-L112 VanDerWaalsContact O-CB 3.26Å; L109-L112 WeakPolarHBondContact O-CB 3.5Å; L109-L112 WeakPolarHBondContact O-CG 3.26Å; L109-L112 PolarHBondContact O-N 3.35Å
110	R	95.1	Very high	93.6	Very high	7 Å²	7	57.5 Å²	57.5	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-51.2	-42.5	-178.9	-162.3	-174.9	-53.4	108.3	5.3	113.6	T100 A101 Q103 F106 D107 L112 C113 Y114 W139 E142	T100-R110 HydrophobicContact CG2-CG 4.19Å; A101-R110 PolarHBondContact O-NE 2.55Å; A101-R110 PolarHBondContact O-NH2 3.49Å; Q103-R110 PolarHBondContact O-NH2 3.03Å; F106-R110 WeakPolarHBondContact O-CB 3.38Å; F106-R110 PolarHBondContact O-N 3.46Å; D107-R110 IonicContact OD1-CZ 2.59Å; D107-R110 IonicContact OD1-NH1 2.73Å; D107-R110 PolarHBondContact OD1-NH1 2.75Å; D107-R110 IonicContact OD1-NH2 3.21Å; D107-R110 PolarHBondContact OD1-NH2 3.48Å; R110-L112 PolarHBondContact O-N 3.35Å; R110-L112 VanDerWaalsContact O-N 3.1Å; R110-C113 WeakPolarHBondContact O-CB 3.18Å; R110-C113 PolarHBondContact O-N 2.91Å; R110-C113 PolarHBondContact O-SG 3.17Å; R110-C113 VanDerWaalsContact O-SG 3.41Å; R110-Y114 WeakPolarHBondContact CD-OH 3.43Å; R110-Y114 HydrophobicContact CG-CE1 4.01Å; R110-Y114 WeakPolarHBondContact CG-OH 3.43Å; R110-W139 VanDerWaalsContact CZ-CH2 3.48Å; R110-W139 VanDerWaalsContact CZ-CZ3 3.48Å; R110-E142 WeakPolarHBondContact CD-OE1 3.48Å; R110-E142 IonicContact NH1-OE1 2.91Å; R110-E142 PolarHBondContact NH1-OE1 3.18Å; R110-E142 VanDerWaalsContact NH1-OE1 3.15Å; R110-E142 IonicContact NH1-OE2 2.78Å; R110-E142 PolarHBondContact NH1-OE2 3.46Å
111	P	94.6	Very high	93.8	Very high	25 Å²	25	57.4 Å²	57.4	16%	0.162	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-62.2	-20.9	-179.8	-26.3	37.2	0	0	0	115.1	D107 L109 C113 Y114	D107-P111 WeakPolarHBondContact O-CD 3.3Å; L109-P111 VanDerWaalsContact C-CD 3.43Å; L109-P111 VanDerWaalsContact C-N 3.33Å; P111-C113 PolarHBondContact O-N 3.45Å; P111-Y114 HydrophobicContact CB-CD2 4.19Å; P111-Y114 HydrophobicContact CB-CE2 4.46Å; P111-Y114 WeakPolarHBondContact O-CB 3.33Å; P111-Y114 PolarHBondContact O-N 3.16Å
112	L	92.6	Very high	94.2	Very high	124 Å²	124	57.2 Å²	57.2	65%	0.649	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.3	173.5	-56.7	176.7	0	0	0	111.7	L109 R110 Y114	L109-L112 HydrophobicContact CD2-CD1 4.25Å; L109-L112 VanDerWaalsContact O-CB 3.26Å; L109-L112 WeakPolarHBondContact O-CB 3.5Å; L109-L112 WeakPolarHBondContact O-CG 3.26Å; L109-L112 PolarHBondContact O-N 3.35Å; R110-L112 PolarHBondContact O-N 3.35Å; R110-L112 VanDerWaalsContact O-N 3.1Å; L112-Y114 VanDerWaalsContact C-N 3.32Å
113	C	93.9	Very high	94.6	Very high	14 Å²	14	57 Å²	57	10%	0.095	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-77.4	-18.9	176.3	-50.6	0	0	0	0	112.2	K47 F79 T100 R110 P111	K47-C113 WeakPolarHBondContact CE-O 3.38Å; K47-C113 PolarHBondContact NZ-O 3.1Å; F79-C113 WeakPolarHBondContact CD2-SG 3.49Å; F79-C113 HydrophobicContact CE2-CB 3.98Å; F79-C113 WeakPolarHBondContact CE2-SG 3.39Å; T100-C113 HydrophobicContact CG2-CB 4.01Å; R110-C113 WeakPolarHBondContact O-CB 3.18Å; R110-C113 PolarHBondContact O-N 2.91Å; R110-C113 PolarHBondContact O-SG 3.17Å; R110-C113 VanDerWaalsContact O-SG 3.41Å; P111-C113 PolarHBondContact O-N 3.45Å
114	Y	96.3	Very high	95	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.008	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-17.2	-172.7	-59.4	-9.6	0	0	0	113.1	V49 V51 R110 P111 L112 N116 A117 F120 E142 H146	V49-Y114 HydrophobicContact CG1-CD1 3.99Å; V49-Y114 HydrophobicContact CG1-CE1 4Å; V51-Y114 HydrophobicContact CG1-CE1 3.6Å; V51-Y114 WeakPolarHBondContact CG1-OH 3.35Å; R110-Y114 WeakPolarHBondContact CD-OH 3.43Å; R110-Y114 HydrophobicContact CG-CE1 4.01Å; R110-Y114 WeakPolarHBondContact CG-OH 3.43Å; P111-Y114 HydrophobicContact CB-CD2 4.19Å; P111-Y114 HydrophobicContact CB-CE2 4.46Å; P111-Y114 WeakPolarHBondContact O-CB 3.33Å; P111-Y114 PolarHBondContact O-N 3.16Å; L112-Y114 VanDerWaalsContact C-N 3.32Å; Y114-N116 PolarHBondContact O-N 2.97Å; Y114-N116 VanDerWaalsContact O-N 3.13Å; Y114-A117 VanDerWaalsContact O-CB 3.23Å; Y114-A117 WeakPolarHBondContact O-CB 3.46Å; Y114-A117 PolarHBondContact O-N 3.45Å; Y114-F120 AromaticContact CD1-CE1 3.56Å; Y114-F120 HydrophobicContact CD1-CE1 3.56Å; Y114-F120 HydrophobicContact CD1-CZ 4.02Å; Y114-F120 HydrophobicContact CD2-CE1 4.43Å; Y114-F120 HydrophobicContact CD2-CZ 4.46Å; Y114-F120 AromaticContact CE1-CE1 3.78Å; Y114-F120 HydrophobicContact CE1-CE1 3.78Å; Y114-F120 AromaticContact CG-CE1 3.91Å; Y114-F120 HydrophobicContact CG-CE1 3.91Å; Y114-F120 AromaticContact CG-CZ 3.94Å; Y114-F120 HydrophobicContact CG-CZ 3.94Å; Y114-E142 HydrophobicContact CE2-CG 4.22Å; Y114-E142 PolarHBondContact OH-OE1 2.94Å; Y114-H146 HydrophobicContact CD2-CB 3.82Å
115	T	92.7	Very high	95.4	Very high	87 Å²	87	49.5 Å²	49.5	53%	0.534	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	122.1	179.7	-51.3	0	0	0	0	110.6	K47 A117	K47-T115 PolarHBondContact NZ-O 3.32Å; T115-A117 PolarHBondContact O-N 2.97Å
116	N	90.3	Very high	95.8	Very high	135 Å²	135	42.2 Å²	42.2	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	28.8	-176.1	-49	-41.4	0	0	0	114	Y114 D118	Y114-N116 PolarHBondContact O-N 2.97Å; Y114-N116 VanDerWaalsContact O-N 3.13Å; N116-D118 PolarHBondContact O-N 3.45Å
117	A	97.1	Very high	96	Very high	15 Å²	15	40.1 Å²	40.1	12%	0.124	21%	0.211	C	C	.	.			trans	-63.7	126.3	168.4	0	0	0	0	0	109.3	V49 Y114 T115 F120	V49-A117 HydrophobicContact CG2-CB 3.68Å; Y114-A117 VanDerWaalsContact O-CB 3.23Å; Y114-A117 WeakPolarHBondContact O-CB 3.46Å; Y114-A117 PolarHBondContact O-N 3.45Å; T115-A117 PolarHBondContact O-N 2.97Å; A117-F120 HydrophobicContact CB-CD2 4.5Å; A117-F120 HydrophobicContact CB-CE1 4.4Å; A117-F120 HydrophobicContact CB-CE2 3.67Å; A117-F120 HydrophobicContact CB-CZ 3.62Å
118	D	97.8	Very high	96.3	Very high	57 Å²	57	39.4 Å²	39.4	31%	0.305	21%	0.211	S	C	.	.	S	Bend	trans	-87.4	-25.7	177.7	-60.8	-61.3	0	0	0	111.4	V46 K47 N116 P151 S218	V46-D118 HydrophobicContact CG1-CB 4.46Å; K47-D118 PolarHBondContact N-OD2 3.38Å; K47-D118 PolarHBondContact O-N 3.07Å; N116-D118 PolarHBondContact O-N 3.45Å; D118-P151 VanDerWaalsContact O-CD 3.32Å; D118-P151 WeakPolarHBondContact O-CD 3.4Å; D118-P151 VanDerWaalsContact O-CG 3.28Å; D118-P151 WeakPolarHBondContact O-CG 3.24Å; D118-S218 VanDerWaalsContact CB-OG 3.25Å; D118-S218 WeakPolarHBondContact CB-OG 3.32Å
119	I	98.6	Very high	96.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	153.8	176.5	-174.5	142.3	0	0	0	111.5	V46 K47 C48 V49 P151 V153 A214 A217	V46-I119 HydrophobicContact CG1-CG2 4.23Å; K47-I119 PolarHBondContact O-N 2.94Å; C48-I119 WeakPolarHBondContact CA-O 3Å; C48-I119 HydrophobicContact CB-CG2 3.88Å; V49-I119 PolarHBondContact N-O 3.04Å; I119-P151 HydrophobicContact CB-CG 4.06Å; I119-P151 HydrophobicContact CD1-CB 3.99Å; I119-P151 HydrophobicContact CD1-CG 3.88Å; I119-P151 HydrophobicContact CG1-CB 4.39Å; I119-P151 HydrophobicContact CG1-CG 4.07Å; I119-V153 HydrophobicContact CD1-CG2 4.2Å; I119-A214 HydrophobicContact CD1-CB 4.08Å; I119-A214 WeakPolarHBondContact CD1-O 3.28Å; I119-A214 HydrophobicContact CG1-CB 4.34Å; I119-A214 HydrophobicContact CG2-CB 4.22Å; I119-A217 HydrophobicContact CD1-CB 3.57Å
120	F	98.8	Very high	96.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138	170.5	-67	-96.5	0	0	0	111.6	V49 V51 Y114 A117 I143 C147 A150 P151 V152 V153	V49-F120 HydrophobicContact CB-CD1 3.9Å; V49-F120 HydrophobicContact CB-CE1 3.91Å; V49-F120 HydrophobicContact CG1-CD1 4.28Å; V49-F120 HydrophobicContact CG1-CE1 4.11Å; V49-F120 HydrophobicContact CG2-CE1 4.45Å; V49-F120 VanDerWaalsContact O-CA 3.29Å; V49-F120 WeakPolarHBondContact O-CA 3.27Å; V51-F120 HydrophobicContact CG1-CD1 4.21Å; V51-F120 HydrophobicContact CG1-CE1 4.46Å; V51-F120 HydrophobicContact CG2-CD1 4.12Å; Y114-F120 AromaticContact CD1-CE1 3.56Å; Y114-F120 HydrophobicContact CD1-CE1 3.56Å; Y114-F120 HydrophobicContact CD1-CZ 4.02Å; Y114-F120 HydrophobicContact CD2-CE1 4.43Å; Y114-F120 HydrophobicContact CD2-CZ 4.46Å; Y114-F120 AromaticContact CE1-CE1 3.78Å; Y114-F120 HydrophobicContact CE1-CE1 3.78Å; Y114-F120 AromaticContact CG-CE1 3.91Å; Y114-F120 HydrophobicContact CG-CE1 3.91Å; Y114-F120 AromaticContact CG-CZ 3.94Å; Y114-F120 HydrophobicContact CG-CZ 3.94Å; A117-F120 HydrophobicContact CB-CD2 4.5Å; A117-F120 HydrophobicContact CB-CE1 4.4Å; A117-F120 HydrophobicContact CB-CE2 3.67Å; A117-F120 HydrophobicContact CB-CZ 3.62Å; F120-I143 HydrophobicContact CB-CD1 4.47Å; F120-I143 HydrophobicContact CD1-CD1 4.48Å; F120-I143 HydrophobicContact CD1-CG1 4.12Å; F120-I143 HydrophobicContact CD2-CG2 3.96Å; F120-I143 HydrophobicContact CE1-CG1 4.36Å; F120-I143 HydrophobicContact CE2-CG2 4.04Å; F120-I143 HydrophobicContact CG-CD1 4.49Å; F120-I143 HydrophobicContact CG-CG1 4.4Å; F120-I143 HydrophobicContact CG-CG2 4.23Å; F120-I143 HydrophobicContact CZ-CG2 4.37Å; F120-C147 HydrophobicContact CE2-CB 3.73Å; F120-C147 HydrophobicContact CZ-CB 4.03Å; F120-A150 HydrophobicContact CD2-CB 3.75Å; F120-A150 HydrophobicContact CE2-CB 3.57Å; F120-P151 PolarHBondContact N-O 3.31Å; F120-V152 HydrophobicContact CB-CG1 4.39Å; F120-V152 HydrophobicContact CB-CG2 4.25Å; F120-V152 WeakPolarHBondContact O-CA 3.48Å; F120-V153 PolarHBondContact O-N 2.94Å
121	L	98.8	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112	156.3	-64.3	179.2	0	0	0	107	V49 L50 V51 L61 V153 V155 V210 F211 A214	V49-L121 PolarHBondContact O-N 3.18Å; L50-L121 WeakPolarHBondContact CA-O 3.44Å; L50-L121 HydrophobicContact CD1-CD1 4.35Å; L50-L121 HydrophobicContact CD2-CD1 4.33Å; L50-L121 HydrophobicContact CG-CB 4.1Å; L50-L121 HydrophobicContact CG-CD1 4.08Å; V51-L121 PolarHBondContact N-O 3.17Å; L61-L121 HydrophobicContact CD2-CD1 4.41Å; L121-V153 HydrophobicContact CD2-CB 3.82Å; L121-V153 HydrophobicContact CD2-CG1 4.2Å; L121-V155 HydrophobicContact CB-CG2 4.21Å; L121-V155 HydrophobicContact CD2-CG2 3.91Å; L121-V210 HydrophobicContact CD1-CG1 3.85Å; L121-V210 HydrophobicContact CD2-CG1 3.94Å; L121-F211 HydrophobicContact CD1-CD1 4.17Å; L121-F211 HydrophobicContact CD1-CE1 3.85Å; L121-F211 HydrophobicContact CD1-CZ 4.35Å; L121-A214 HydrophobicContact CD2-CB 3.79Å; L121-A214 HydrophobicContact CG-CB 4.49Å
122	L	98.8	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	107.8	175	175.9	49.5	0	0	0	108.5	V51 V135 W139 V140 I143 V152 V153 L154 V155 M191	V51-L122 HydrophobicContact CG2-CB 4.49Å; V51-L122 HydrophobicContact CG2-CD1 4Å; L122-V135 HydrophobicContact CD2-CG1 3.72Å; L122-V135 HydrophobicContact CG-CG1 4.37Å; L122-W139 HydrophobicContact CD1-CB 3.39Å; L122-W139 HydrophobicContact CD1-CG 3.75Å; L122-W139 HydrophobicContact CD2-CB 4.07Å; L122-W139 HydrophobicContact CG-CB 4.4Å; L122-V140 HydrophobicContact CD2-CG2 3.75Å; L122-I143 HydrophobicContact CB-CD1 4.47Å; L122-I143 HydrophobicContact CD2-CD1 4.11Å; L122-V152 HydrophobicContact CB-CG1 3.68Å; L122-V152 HydrophobicContact CD2-CG1 4.44Å; L122-V153 PolarHBondContact N-O 3.38Å; L122-L154 HydrophobicContact CB-CD1 4.41Å; L122-L154 HydrophobicContact CD2-CD1 4.39Å; L122-L154 HydrophobicContact CG-CD1 4.06Å; L122-V155 PolarHBondContact O-N 2.72Å; L122-M191 HydrophobicContact CD2-CE 3.8Å; L122-M191 HydrophobicContact CD2-SD 4.46Å
123	C	98.9	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.7	-173.1	-59.4	0	0	0	0	111.8	V51 G52 V56 K58 V155 T157	V51-C123 PolarHBondContact O-N 2.85Å; G52-C123 WeakPolarHBondContact CA-O 3.19Å; V56-C123 HydrophobicContact CG2-CB 3.98Å; K58-C123 HydrophobicContact CD-CB 4.49Å; K58-C123 HydrophobicContact CG-CB 3.94Å; C123-V155 WeakPolarHBondContact CA-O 3.34Å; C123-T157 HydrophobicContact CB-CG2 4.1Å
124	F	98.9	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.3	163	74	-83.2	0	0	0	108.3	V126 F132 V135 L154 V155 G156 T157 V179 A184 Y196	F124-V126 HydrophobicContact CE2-CG1 4.18Å; F124-V126 HydrophobicContact CZ-CG1 4.47Å; F124-F132 HydrophobicContact CD1-CD2 4.07Å; F124-F132 HydrophobicContact CD2-CB 3.68Å; F124-F132 AromaticContact CD2-CD2 3.83Å; F124-F132 HydrophobicContact CD2-CD2 3.83Å; F124-F132 HydrophobicContact CD2-CG 4.15Å; F124-F132 AromaticContact CE1-CD2 3.97Å; F124-F132 HydrophobicContact CE1-CD2 3.97Å; F124-F132 HydrophobicContact CE1-CE2 4.36Å; F124-F132 HydrophobicContact CE2-CB 4.14Å; F124-F132 AromaticContact CE2-CD2 3.73Å; F124-F132 HydrophobicContact CE2-CD2 3.73Å; F124-F132 HydrophobicContact CE2-CG 4.19Å; F124-F132 HydrophobicContact CG-CB 4.2Å; F124-F132 HydrophobicContact CG-CD2 4Å; F124-F132 AromaticContact CZ-CD2 3.81Å; F124-F132 HydrophobicContact CZ-CD2 3.81Å; F124-F132 HydrophobicContact CZ-CE2 4.24Å; F124-V135 HydrophobicContact CB-CG2 4.01Å; F124-V135 HydrophobicContact CD1-CG2 4.27Å; F124-V135 HydrophobicContact CG-CG2 4.37Å; F124-L154 HydrophobicContact CD1-CD1 3.9Å; F124-L154 HydrophobicContact CD1-CG 4.26Å; F124-L154 HydrophobicContact CE1-CD1 4.11Å; F124-L154 HydrophobicContact CE1-CD2 4.18Å; F124-L154 HydrophobicContact CE1-CG 3.97Å; F124-V155 WeakPolarHBondContact CD1-O 3.4Å; F124-V155 PolarHBondContact N-O 3.38Å; F124-G156 CarbonylContact O-C 3.59Å; F124-G156 WeakPolarHBondContact O-CA 3.19Å; F124-T157 PolarHBondContact O-N 2.8Å; F124-T157 PolarHBondContact O-OG1 3.29Å; F124-V179 HydrophobicContact CD2-CG2 4.48Å; F124-V179 HydrophobicContact CE2-CB 3.99Å; F124-V179 HydrophobicContact CE2-CG1 3.9Å; F124-V179 HydrophobicContact CE2-CG2 4.1Å; F124-V179 HydrophobicContact CZ-CG1 4.33Å; F124-A184 HydrophobicContact CE1-CB 4.23Å; F124-A184 HydrophobicContact CZ-CB 3.7Å; F124-Y196 AromaticContact CE1-CE2 3.76Å; F124-Y196 HydrophobicContact CE1-CE2 3.76Å; F124-Y196 AromaticContact CZ-CE2 3.87Å; F124-Y196 HydrophobicContact CZ-CE2 3.87Å
125	S	98.8	Very high	97.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.8	172.9	167.5	0	0	0	0	110.1	V127 S128 S131 T157 Q158	S125-V127 PolarHBondContact O-N 2.68Å; S125-V127 VanDerWaalsContact O-N 3.1Å; S125-V127 VanDerWaalsContact OG-CG2 3.25Å; S125-V127 WeakPolarHBondContact OG-CG2 3.13Å; S125-V127 PolarHBondContact OG-N 2.9Å; S125-S128 PolarHBondContact O-N 2.9Å; S125-S131 PolarHBondContact N-OG 3.16Å; S125-S131 PolarHBondContact O-OG 3.33Å; S125-T157 WeakPolarHBondContact CA-OG1 3.47Å; S125-Q158 PolarHBondContact OG-OE1 3.33Å
126	V	98.8	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.9	178.5	-53.5	0	0	0	0	112.9	F124 T157 R162 P178 V179 E198	F124-V126 HydrophobicContact CE2-CG1 4.18Å; F124-V126 HydrophobicContact CZ-CG1 4.47Å; V126-T157 PolarHBondContact N-O 3.05Å; V126-R162 HydrophobicContact CG2-CB 4.45Å; V126-P178 CarbonylContact O-C 3.43Å; V126-P178 VanDerWaalsContact O-CA 3.23Å; V126-P178 WeakPolarHBondContact O-CA 3.37Å; V126-P178 WeakPolarHBondContact O-CB 3.33Å; V126-V179 PolarHBondContact O-N 3.39Å; V126-E198 HydrophobicContact CG1-CG 4.11Å
127	V	98.6	Very high	98.5	Very high	18 Å²	18	28.5 Å²	28.5	11%	0.109	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	13	176.7	-61	0	0	0	0	113.1	S125 L161 V167 P178	S125-V127 PolarHBondContact O-N 2.68Å; S125-V127 VanDerWaalsContact O-N 3.1Å; S125-V127 VanDerWaalsContact OG-CG2 3.25Å; S125-V127 WeakPolarHBondContact OG-CG2 3.13Å; S125-V127 PolarHBondContact OG-N 2.9Å; V127-L161 HydrophobicContact CB-CB 4.43Å; V127-L161 HydrophobicContact CG1-CB 3.71Å; V127-L161 HydrophobicContact CG2-CB 3.92Å; V127-L161 HydrophobicContact CG2-CD1 3.93Å; V127-V167 HydrophobicContact CB-CG1 3.66Å; V127-V167 HydrophobicContact CG1-CG1 3.8Å; V127-V167 HydrophobicContact CG2-CG1 4.19Å; V127-P178 HydrophobicContact CG1-CB 4.46Å; V127-P178 HydrophobicContact CG1-CG 4.41Å
128	S	98.5	Very high	98.6	Very high	39 Å²	39	29.6 Å²	29.6	27%	0.273	16%	0.159	S	C	.	.			trans	-128.1	87.1	174.3	-172.1	0	0	0	0	109.9	S125 S130 S131 F132	S125-S128 PolarHBondContact O-N 2.9Å; S128-S130 VanDerWaalsContact C-N 3.25Å; S128-S130 PolarHBondContact O-N 2.76Å; S128-S130 PolarHBondContact OG-OG 2.79Å; S128-S131 WeakPolarHBondContact CB-OG 3.28Å; S128-S131 WeakPolarHBondContact O-CB 3.28Å; S128-S131 PolarHBondContact O-N 2.87Å; S128-S131 PolarHBondContact O-OG 3.35Å; S128-F132 PolarHBondContact O-N 3.3Å
129	P	98.4	Very high	98.6	Very high	17 Å²	17	26.9 Å²	26.9	11%	0.11	14%	0.144	C	C	.	.	H	α-helix	trans	-56.3	-35.5	-177.6	-30	39.8	0	0	0	114.3	S131 F132 Q133 L171 E176 R177	P129-S131 VanDerWaalsContact C-N 3.34Å; P129-S131 PolarHBondContact O-N 3.2Å; P129-F132 WeakPolarHBondContact O-CB 3.46Å; P129-F132 PolarHBondContact O-N 3.12Å; P129-F132 VanDerWaalsContact O-N 3.13Å; P129-Q133 PolarHBondContact O-N 2.92Å; P129-L171 HydrophobicContact CG-CD2 4.29Å; P129-E176 HydrophobicContact CG-CB 4.2Å; P129-R177 VanDerWaalsContact CG-O 3.23Å; P129-R177 WeakPolarHBondContact CG-O 3.45Å
130	S	98.3	Very high	98.6	Very high	53 Å²	53	28 Å²	28	37%	0.371	15%	0.151	S	C	.	.	H	α-helix	trans	-56.8	-43.2	172.1	53.7	0	0	0	0	113.1	S128 F132 Q133 N134	S128-S130 VanDerWaalsContact C-N 3.25Å; S128-S130 PolarHBondContact O-N 2.76Å; S128-S130 PolarHBondContact OG-OG 2.79Å; S130-F132 PolarHBondContact O-N 2.96Å; S130-Q133 PolarHBondContact O-N 3.22Å; S130-N134 PolarHBondContact O-N 2.89Å; S130-N134 PolarHBondContact O-ND2 3.35Å
131	S	98.8	Very high	98.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-28.6	178.3	76.7	0	0	0	0	112.6	D53 S125 S128 P129	D53-S131 WeakPolarHBondContact OD2-CA 3.43Å; S125-S131 PolarHBondContact N-OG 3.16Å; S125-S131 PolarHBondContact O-OG 3.33Å; S128-S131 WeakPolarHBondContact CB-OG 3.28Å; S128-S131 WeakPolarHBondContact O-CB 3.28Å; S128-S131 PolarHBondContact O-N 2.87Å; S128-S131 PolarHBondContact O-OG 3.35Å; P129-S131 VanDerWaalsContact C-N 3.34Å; P129-S131 PolarHBondContact O-N 3.2Å
132	F	98.9	Very high	98.5	Very high	34 Å²	34	32.4 Å²	32.4	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-75.2	-40.7	173.7	179.4	-114.9	0	0	0	112	F124 S128 P129 S130 N134 V135 V179 E183 A184 C187	F124-F132 HydrophobicContact CD1-CD2 4.07Å; F124-F132 HydrophobicContact CD2-CB 3.68Å; F124-F132 AromaticContact CD2-CD2 3.83Å; F124-F132 HydrophobicContact CD2-CD2 3.83Å; F124-F132 HydrophobicContact CD2-CG 4.15Å; F124-F132 AromaticContact CE1-CD2 3.97Å; F124-F132 HydrophobicContact CE1-CD2 3.97Å; F124-F132 HydrophobicContact CE1-CE2 4.36Å; F124-F132 HydrophobicContact CE2-CB 4.14Å; F124-F132 AromaticContact CE2-CD2 3.73Å; F124-F132 HydrophobicContact CE2-CD2 3.73Å; F124-F132 HydrophobicContact CE2-CG 4.19Å; F124-F132 HydrophobicContact CG-CB 4.2Å; F124-F132 HydrophobicContact CG-CD2 4Å; F124-F132 AromaticContact CZ-CD2 3.81Å; F124-F132 HydrophobicContact CZ-CD2 3.81Å; F124-F132 HydrophobicContact CZ-CE2 4.24Å; S128-F132 PolarHBondContact O-N 3.3Å; P129-F132 WeakPolarHBondContact O-CB 3.46Å; P129-F132 PolarHBondContact O-N 3.12Å; P129-F132 VanDerWaalsContact O-N 3.13Å; S130-F132 PolarHBondContact O-N 2.96Å; F132-N134 VanDerWaalsContact C-N 3.28Å; F132-N134 PolarHBondContact O-N 3.48Å; F132-V135 HydrophobicContact CD2-CG2 4.39Å; F132-V135 WeakPolarHBondContact O-CB 3.41Å; F132-V135 WeakPolarHBondContact O-CG2 3.23Å; F132-V135 PolarHBondContact O-N 3.03Å; F132-V135 VanDerWaalsContact O-N 3.14Å; F132-V179 HydrophobicContact CB-CG1 4.39Å; F132-V179 HydrophobicContact CB-CG2 3.7Å; F132-V179 HydrophobicContact CD1-CG1 3.69Å; F132-V179 HydrophobicContact CD1-CG2 4.14Å; F132-V179 HydrophobicContact CD2-CG1 4.02Å; F132-V179 HydrophobicContact CE1-CG1 3.88Å; F132-V179 HydrophobicContact CE2-CG1 4.22Å; F132-V179 HydrophobicContact CG-CG1 3.76Å; F132-V179 HydrophobicContact CG-CG2 3.98Å; F132-V179 HydrophobicContact CZ-CG1 4.14Å; F132-E183 HydrophobicContact CE1-CB 4.39Å; F132-E183 HydrophobicContact CZ-CB 4.5Å; F132-A184 HydrophobicContact CE2-CB 3.8Å; F132-A184 HydrophobicContact CZ-CB 4.18Å; F132-C187 HydrophobicContact CE2-CB 3.83Å; F132-C187 HydrophobicContact CZ-CB 3.59Å
133	Q	98.6	Very high	98.5	Very high	104 Å²	104	32.4 Å²	32.4	49%	0.486	18%	0.178	S	C	.	.	H	α-helix	trans	-58.9	-42.5	172.2	-68.8	171.9	-6	0	0	111.3	P129 S130 V135 T136 E137	P129-Q133 PolarHBondContact O-N 2.92Å; S130-Q133 PolarHBondContact O-N 3.22Å; Q133-V135 PolarHBondContact O-N 3.24Å; Q133-V135 VanDerWaalsContact O-N 3.09Å; Q133-T136 PolarHBondContact O-N 3.32Å; Q133-T136 PolarHBondContact O-OG1 2.89Å; Q133-E137 PolarHBondContact O-N 3.17Å
134	N	98.8	Very high	98.4	Very high	46 Å²	46	35.6 Å²	35.6	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-18.3	178.6	-73	-24.4	0	0	0	114	D53 S130 F132 T136 K138 W139	D53-N134 PolarHBondContact OD1-ND2 2.92Å; D53-N134 PolarHBondContact OD2-ND2 3.02Å; S130-N134 PolarHBondContact O-N 2.89Å; S130-N134 PolarHBondContact O-ND2 3.35Å; F132-N134 VanDerWaalsContact C-N 3.28Å; F132-N134 PolarHBondContact O-N 3.48Å; N134-T136 VanDerWaalsContact C-N 3.33Å; N134-T136 PolarHBondContact O-N 3.42Å; N134-K138 WeakPolarHBondContact O-CA 3.25Å; N134-K138 WeakPolarHBondContact O-CB 3.32Å; N134-K138 PolarHBondContact O-N 2.88Å; N134-W139 PolarHBondContact O-N 3.07Å
135	V	98.8	Very high	98.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-54	-51.4	173	169.9	0	0	0	0	110.2	L122 F124 F132 Q133 W139 V140 L154 M191	L122-V135 HydrophobicContact CD2-CG1 3.72Å; L122-V135 HydrophobicContact CG-CG1 4.37Å; F124-V135 HydrophobicContact CB-CG2 4.01Å; F124-V135 HydrophobicContact CD1-CG2 4.27Å; F124-V135 HydrophobicContact CG-CG2 4.37Å; F132-V135 HydrophobicContact CD2-CG2 4.39Å; F132-V135 WeakPolarHBondContact O-CB 3.41Å; F132-V135 WeakPolarHBondContact O-CG2 3.23Å; F132-V135 PolarHBondContact O-N 3.03Å; F132-V135 VanDerWaalsContact O-N 3.14Å; Q133-V135 PolarHBondContact O-N 3.24Å; Q133-V135 VanDerWaalsContact O-N 3.09Å; V135-W139 PolarHBondContact O-N 3Å; V135-V140 HydrophobicContact CG1-CG2 4.25Å; V135-V140 WeakPolarHBondContact O-CB 3.29Å; V135-V140 VanDerWaalsContact O-CG2 3.26Å; V135-V140 WeakPolarHBondContact O-CG2 3.36Å; V135-V140 PolarHBondContact O-N 3.23Å; V135-L154 HydrophobicContact CG1-CD1 3.8Å; V135-L154 HydrophobicContact CG2-CD1 4.04Å; V135-M191 HydrophobicContact CG1-SD 3.94Å
136	T	98.3	Very high	98.3	Very high	74 Å²	74	49.4 Å²	49.4	45%	0.454	25%	0.245	S	C	.	.	I	π-helix	trans	-86.7	-35.5	-175.9	55.7	0	0	0	0	112.2	Q133 N134 P141	Q133-T136 PolarHBondContact O-N 3.32Å; Q133-T136 PolarHBondContact O-OG1 2.89Å; N134-T136 VanDerWaalsContact C-N 3.33Å; N134-T136 PolarHBondContact O-N 3.42Å; T136-P141 WeakPolarHBondContact O-CD 3.37Å; T136-P141 WeakPolarHBondContact O-CG 3.36Å
137	E	98.2	Very high	98.1	Very high	139 Å²	139	50.4 Å²	50.4	65%	0.65	25%	0.251	S	S	*	.	I	π-helix	trans	-77.5	-33.3	-175.3	-64.7	-175	178.3	0	0	113.2	Q133	Q133-E137 PolarHBondContact O-N 3.17Å
138	K	97.9	Very high	98	Very high	38 Å²	38	53.8 Å²	53.8	17%	0.165	27%	0.274	C	S	.	.	I	π-helix	trans	-120.2	-60.6	-174.6	-177.9	179.3	-179.1	178.5	0	112.8	D104 D107 N134 P141 E142	D104-K138 IonicContact OD1-NZ 2.63Å; D104-K138 PolarHBondContact OD1-NZ 3.35Å; D107-K138 IonicContact OD1-NZ 2.76Å; D107-K138 PolarHBondContact OD1-NZ 3.36Å; D107-K138 IonicContact OD2-NZ 3.08Å; D107-K138 PolarHBondContact OD2-NZ 3.49Å; N134-K138 WeakPolarHBondContact O-CA 3.25Å; N134-K138 WeakPolarHBondContact O-CB 3.32Å; N134-K138 PolarHBondContact O-N 2.88Å; K138-P141 WeakPolarHBondContact O-CD 3.28Å; K138-E142 WeakPolarHBondContact O-CB 3.43Å; K138-E142 PolarHBondContact O-N 2.78Å
139	W	98.4	Very high	97.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-74.3	-43.4	-161.6	-63.9	112.3	0	0	0	113.8	V51 G52 D53 R110 L122 N134 V135 E142 I143	V51-W139 HydrophobicContact CB-CE3 4.27Å; G52-W139 VanDerWaalsContact CA-CE2 3.47Å; G52-W139 VanDerWaalsContact O-CZ2 3.28Å; G52-W139 WeakPolarHBondContact O-CZ2 3.32Å; D53-W139 PolarHBondContact OD1-NE1 3.29Å; R110-W139 VanDerWaalsContact CZ-CH2 3.48Å; R110-W139 VanDerWaalsContact CZ-CZ3 3.48Å; L122-W139 HydrophobicContact CD1-CB 3.39Å; L122-W139 HydrophobicContact CD1-CG 3.75Å; L122-W139 HydrophobicContact CD2-CB 4.07Å; L122-W139 HydrophobicContact CG-CB 4.4Å; N134-W139 PolarHBondContact O-N 3.07Å; V135-W139 PolarHBondContact O-N 3Å; W139-E142 PolarHBondContact O-N 2.79Å; W139-I143 WeakPolarHBondContact O-CD1 3.38Å; W139-I143 VanDerWaalsContact O-CG1 3.3Å; W139-I143 WeakPolarHBondContact O-CG1 3.22Å; W139-I143 PolarHBondContact O-N 2.94Å
140	V	98.4	Very high	97.6	Very high	25 Å²	25	58 Å²	58	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-50.5	174.8	168.1	0	0	0	0	110.8	L122 V135 E142 I143 R144 M191	L122-V140 HydrophobicContact CD2-CG2 3.75Å; V135-V140 HydrophobicContact CG1-CG2 4.25Å; V135-V140 WeakPolarHBondContact O-CB 3.29Å; V135-V140 VanDerWaalsContact O-CG2 3.26Å; V135-V140 WeakPolarHBondContact O-CG2 3.36Å; V135-V140 PolarHBondContact O-N 3.23Å; V140-E142 VanDerWaalsContact C-N 3.3Å; V140-E142 PolarHBondContact O-N 2.81Å; V140-I143 PolarHBondContact O-N 3.04Å; V140-R144 HydrophobicContact CG1-CG 4.09Å; V140-R144 WeakPolarHBondContact O-CB 3.49Å; V140-R144 VanDerWaalsContact O-CG 3.22Å; V140-R144 WeakPolarHBondContact O-CG 3.3Å; V140-R144 PolarHBondContact O-N 3.41Å; V140-M191 HydrophobicContact CG1-CB 4.46Å; V140-M191 HydrophobicContact CG2-CB 4.06Å; V140-M191 HydrophobicContact CG2-CE 3.84Å; V140-M191 HydrophobicContact CG2-CG 4.47Å; V140-M191 HydrophobicContact CG2-SD 3.79Å
141	P	98.2	Very high	97.6	Very high	66 Å²	66	56.1 Å²	56.1	43%	0.429	28%	0.276	S	S	.	.	H	α-helix	trans	-52.9	-44.2	172.9	-29.2	34.6	0	0	0	113.6	T136 K138 R144 R145	T136-P141 WeakPolarHBondContact O-CD 3.37Å; T136-P141 WeakPolarHBondContact O-CG 3.36Å; K138-P141 WeakPolarHBondContact O-CD 3.28Å; P141-R144 PolarHBondContact O-N 2.93Å; P141-R145 VanDerWaalsContact O-CB 3.3Å; P141-R145 WeakPolarHBondContact O-CB 3.31Å; P141-R145 PolarHBondContact O-N 3.48Å
142	E	98.2	Very high	97.6	Very high	25 Å²	25	56.1 Å²	56.1	12%	0.117	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-47.4	-179.9	-169.5	-176.2	112.2	0	0	112.6	R110 Y114 K138 W139 V140 R145 H146	R110-E142 WeakPolarHBondContact CD-OE1 3.48Å; R110-E142 IonicContact NH1-OE1 2.91Å; R110-E142 PolarHBondContact NH1-OE1 3.18Å; R110-E142 VanDerWaalsContact NH1-OE1 3.15Å; R110-E142 IonicContact NH1-OE2 2.78Å; R110-E142 PolarHBondContact NH1-OE2 3.46Å; Y114-E142 HydrophobicContact CE2-CG 4.22Å; Y114-E142 PolarHBondContact OH-OE1 2.94Å; K138-E142 WeakPolarHBondContact O-CB 3.43Å; K138-E142 PolarHBondContact O-N 2.78Å; W139-E142 PolarHBondContact O-N 2.79Å; V140-E142 VanDerWaalsContact C-N 3.3Å; V140-E142 PolarHBondContact O-N 2.81Å; E142-R145 PolarHBondContact O-N 3.01Å; E142-H146 PolarHBondContact O-N 3.49Å; E142-H146 PolarHBondContact O-ND1 2.92Å
143	I	98.1	Very high	97.6	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-50.3	175.9	-68.1	159	0	0	0	109.3	V51 F120 L122 W139 V140 R145 H146 C147 V152	V51-I143 HydrophobicContact CG2-CD1 3.82Å; V51-I143 HydrophobicContact CG2-CG1 4.18Å; F120-I143 HydrophobicContact CB-CD1 4.47Å; F120-I143 HydrophobicContact CD1-CD1 4.48Å; F120-I143 HydrophobicContact CD1-CG1 4.12Å; F120-I143 HydrophobicContact CD2-CG2 3.96Å; F120-I143 HydrophobicContact CE1-CG1 4.36Å; F120-I143 HydrophobicContact CE2-CG2 4.04Å; F120-I143 HydrophobicContact CG-CD1 4.49Å; F120-I143 HydrophobicContact CG-CG1 4.4Å; F120-I143 HydrophobicContact CG-CG2 4.23Å; F120-I143 HydrophobicContact CZ-CG2 4.37Å; L122-I143 HydrophobicContact CB-CD1 4.47Å; L122-I143 HydrophobicContact CD2-CD1 4.11Å; W139-I143 WeakPolarHBondContact O-CD1 3.38Å; W139-I143 VanDerWaalsContact O-CG1 3.3Å; W139-I143 WeakPolarHBondContact O-CG1 3.22Å; W139-I143 PolarHBondContact O-N 2.94Å; V140-I143 PolarHBondContact O-N 3.04Å; I143-R145 VanDerWaalsContact C-N 3.29Å; I143-R145 PolarHBondContact O-N 2.93Å; I143-H146 PolarHBondContact O-N 2.93Å; I143-C147 CarbonylContact O-C 3.59Å; I143-C147 WeakPolarHBondContact O-CA 3.37Å; I143-C147 PolarHBondContact O-N 3.17Å; I143-V152 HydrophobicContact CD1-CG2 4.46Å; I143-V152 HydrophobicContact CG2-CG2 4.19Å
144	R	97.4	Very high	97.6	Very high	67 Å²	67	49.6 Å²	49.6	25%	0.253	25%	0.246	S	C	.	.	H	α-helix	trans	-68	-29.1	-174.4	-64.7	-59.8	179.5	-147.7	-0.3	112.8	V140 P141 H146 P148 A150	V140-R144 HydrophobicContact CG1-CG 4.09Å; V140-R144 WeakPolarHBondContact O-CB 3.49Å; V140-R144 VanDerWaalsContact O-CG 3.22Å; V140-R144 WeakPolarHBondContact O-CG 3.3Å; V140-R144 PolarHBondContact O-N 3.41Å; P141-R144 PolarHBondContact O-N 2.93Å; R144-H146 VanDerWaalsContact C-N 3.33Å; R144-H146 PolarHBondContact O-N 3.48Å; R144-P148 WeakPolarHBondContact O-CA 3.4Å; R144-P148 WeakPolarHBondContact O-CB 3.18Å; R144-A150 PolarHBondContact NH1-O 2.92Å
145	R	97.2	Very high	97.6	Very high	208 Å²	208	47.4 Å²	47.4	79%	0.785	23%	0.234	S	C	*	.	H	α-helix	trans	-61.7	-38.4	172.9	-179.2	176	-178.2	135.8	1.6	112.7	P141 E142 I143	P141-R145 VanDerWaalsContact O-CB 3.3Å; P141-R145 WeakPolarHBondContact O-CB 3.31Å; P141-R145 PolarHBondContact O-N 3.48Å; E142-R145 PolarHBondContact O-N 3.01Å; I143-R145 VanDerWaalsContact C-N 3.29Å; I143-R145 PolarHBondContact O-N 2.93Å
146	H	96.9	Very high	97.6	Very high	83 Å²	83	47.4 Å²	47.4	38%	0.384	23%	0.234	S	C	.	.	H	α-helix	trans	-101.9	-31.5	-174.1	-63.3	94.9	0	0	0	113.5	Y114 E142 I143 R144	Y114-H146 HydrophobicContact CD2-CB 3.82Å; E142-H146 PolarHBondContact O-N 3.49Å; E142-H146 PolarHBondContact O-ND1 2.92Å; I143-H146 PolarHBondContact O-N 2.93Å; R144-H146 VanDerWaalsContact C-N 3.33Å; R144-H146 PolarHBondContact O-N 3.48Å
147	C	96.3	Very high	97.6	Very high	20 Å²	20	43.9 Å²	43.9	14%	0.135	21%	0.213	C	C	.	.			trans	-138.3	67.7	-173.4	-68.8	0	0	0	0	110.1	F120 I143 Q149 A150	F120-C147 HydrophobicContact CE2-CB 3.73Å; F120-C147 HydrophobicContact CZ-CB 4.03Å; I143-C147 CarbonylContact O-C 3.59Å; I143-C147 WeakPolarHBondContact O-CA 3.37Å; I143-C147 PolarHBondContact O-N 3.17Å; C147-Q149 PolarHBondContact O-N 3.24Å; C147-Q149 VanDerWaalsContact O-N 3.1Å; C147-A150 HydrophobicContact CB-CB 3.76Å; C147-A150 PolarHBondContact O-N 3.38Å
148	P	95.1	Very high	97.6	Very high	90 Å²	90	39.4 Å²	39.4	58%	0.584	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.7	-169.9	22.6	-34.2	0	0	0	114.1	R144	R144-P148 WeakPolarHBondContact O-CA 3.4Å; R144-P148 WeakPolarHBondContact O-CB 3.18Å
149	Q	93.3	Very high	97.7	Very high	134 Å²	134	38.3 Å²	38.3	63%	0.626	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-4	-177.3	-63.6	-176.1	-11.3	0	0	113.8	C147 H221	C147-Q149 PolarHBondContact O-N 3.24Å; C147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-H221 PolarHBondContact O-CE1 2.96Å; Q149-H221 PolarHBondContact O-NE2 3.23Å
150	A	95.1	Very high	97.6	Very high	10 Å²	10	40.8 Å²	40.8	8%	0.083	20%	0.202	C	C	.	.			trans	-67.1	134.8	-176.7	0	0	0	0	0	110.3	F120 R144 C147	F120-A150 HydrophobicContact CD2-CB 3.75Å; F120-A150 HydrophobicContact CE2-CB 3.57Å; R144-A150 PolarHBondContact NH1-O 2.92Å; C147-A150 HydrophobicContact CB-CB 3.76Å; C147-A150 PolarHBondContact O-N 3.38Å
151	P	98.2	Very high	97.6	Very high	13 Å²	13	42 Å²	42	8%	0.084	21%	0.207	C	C	.	.			trans	-64.5	150.2	173.5	27.5	-33.5	0	0	0	110.4	D118 I119 F120 V194 H221	D118-P151 VanDerWaalsContact O-CD 3.32Å; D118-P151 WeakPolarHBondContact O-CD 3.4Å; D118-P151 VanDerWaalsContact O-CG 3.28Å; D118-P151 WeakPolarHBondContact O-CG 3.24Å; I119-P151 HydrophobicContact CB-CG 4.06Å; I119-P151 HydrophobicContact CD1-CB 3.99Å; I119-P151 HydrophobicContact CD1-CG 3.88Å; I119-P151 HydrophobicContact CG1-CB 4.39Å; I119-P151 HydrophobicContact CG1-CG 4.07Å; F120-P151 PolarHBondContact N-O 3.31Å; P151-V194 HydrophobicContact CB-CG2 3.65Å; P151-H221 HydrophobicContact CG-CB 4.07Å
152	V	98.8	Very high	97.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133	179.4	-175.5	0	0	0	0	108.1	F120 L122 I143 M191 A193 V194	F120-V152 HydrophobicContact CB-CG1 4.39Å; F120-V152 HydrophobicContact CB-CG2 4.25Å; F120-V152 WeakPolarHBondContact O-CA 3.48Å; L122-V152 HydrophobicContact CB-CG1 3.68Å; L122-V152 HydrophobicContact CD2-CG1 4.44Å; I143-V152 HydrophobicContact CD1-CG2 4.46Å; I143-V152 HydrophobicContact CG2-CG2 4.19Å; V152-M191 HydrophobicContact CB-CE 4.06Å; V152-M191 HydrophobicContact CG1-CE 3.48Å; V152-M191 VanDerWaalsContact CG1-CE 3.48Å; V152-A193 CarbonylContact O-C 3.58Å; V152-A193 WeakPolarHBondContact O-CA 3.4Å; V152-V194 PolarHBondContact O-N 3.15Å
153	V	98.8	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.8	164.1	174.7	0	0	0	0	107	I119 F120 L121 L122 V155 V194 M197	I119-V153 HydrophobicContact CD1-CG2 4.2Å; F120-V153 PolarHBondContact O-N 2.94Å; L121-V153 HydrophobicContact CD2-CB 3.82Å; L121-V153 HydrophobicContact CD2-CG1 4.2Å; L122-V153 PolarHBondContact N-O 3.38Å; V153-V155 HydrophobicContact CG1-CG2 4.05Å; V153-V194 HydrophobicContact CG2-CB 4.44Å; V153-M197 HydrophobicContact CG1-CE 3.88Å
154	L	98.9	Very high	97.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.5	173.6	-176.7	67.5	0	0	0	108.7	L122 F124 V135 A184 A188 M191 A193 S195 Y196 M197	L122-L154 HydrophobicContact CB-CD1 4.41Å; L122-L154 HydrophobicContact CD2-CD1 4.39Å; L122-L154 HydrophobicContact CG-CD1 4.06Å; F124-L154 HydrophobicContact CD1-CD1 3.9Å; F124-L154 HydrophobicContact CD1-CG 4.26Å; F124-L154 HydrophobicContact CE1-CD1 4.11Å; F124-L154 HydrophobicContact CE1-CD2 4.18Å; F124-L154 HydrophobicContact CE1-CG 3.97Å; V135-L154 HydrophobicContact CG1-CD1 3.8Å; V135-L154 HydrophobicContact CG2-CD1 4.04Å; L154-A184 WeakPolarHBondContact CD2-O 3.32Å; L154-A188 HydrophobicContact CB-CB 4.14Å; L154-A188 HydrophobicContact CD2-CB 3.86Å; L154-M191 HydrophobicContact CD1-SD 4.4Å; L154-A193 HydrophobicContact CB-CB 4.5Å; L154-S195 PolarHBondContact N-O 2.68Å; L154-Y196 HydrophobicContact CB-CD2 4.14Å; L154-Y196 HydrophobicContact CD2-CD2 3.91Å; L154-Y196 HydrophobicContact CD2-CE2 4.47Å; L154-Y196 HydrophobicContact CG-CD2 3.9Å; L154-Y196 HydrophobicContact CG-CE2 4.47Å; L154-Y196 WeakPolarHBondContact O-CA 3.33Å; L154-Y196 WeakPolarHBondContact O-CD2 3.29Å; L154-M197 PolarHBondContact O-N 2.98Å
155	V	98.9	Very high	97.6	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	114	-174.7	-173.7	0	0	0	0	110.2	L61 L121 L122 C123 F124 V153 T157 M197 V210	L61-V155 HydrophobicContact CD2-CG1 4.43Å; L121-V155 HydrophobicContact CB-CG2 4.21Å; L121-V155 HydrophobicContact CD2-CG2 3.91Å; L122-V155 PolarHBondContact O-N 2.72Å; C123-V155 WeakPolarHBondContact CA-O 3.34Å; F124-V155 WeakPolarHBondContact CD1-O 3.4Å; F124-V155 PolarHBondContact N-O 3.38Å; V153-V155 HydrophobicContact CG1-CG2 4.05Å; V155-T157 HydrophobicContact CG1-CG2 4.05Å; V155-M197 CarbonylContact C-O 3.49Å; V155-M197 WeakPolarHBondContact CA-O 3.5Å; V155-V210 HydrophobicContact CG1-CG1 4.22Å; V155-V210 HydrophobicContact CG1-CG2 4.13Å; V155-V210 HydrophobicContact CG2-CG1 3.85Å
156	G	98.9	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	110.8	167	0	0	0	0	0	109.8	F124 M197 E198 C199	F124-G156 CarbonylContact O-C 3.59Å; F124-G156 WeakPolarHBondContact O-CA 3.19Å; G156-M197 PolarHBondContact N-O 3.32Å; G156-E198 CarbonylContact O-C 3.53Å; G156-E198 WeakPolarHBondContact O-CA 3.31Å; G156-C199 PolarHBondContact O-N 3.14Å
157	T	98.8	Very high	97.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	170.5	-179.6	64	0	0	0	0	111.2	V56 C123 F124 S125 V126 V155 S159 C199	V56-T157 VanDerWaalsContact O-CB 3.27Å; V56-T157 WeakPolarHBondContact O-CB 3.08Å; V56-T157 PolarHBondContact O-OG1 2.9Å; C123-T157 HydrophobicContact CB-CG2 4.1Å; F124-T157 PolarHBondContact O-N 2.8Å; F124-T157 PolarHBondContact O-OG1 3.29Å; S125-T157 WeakPolarHBondContact CA-OG1 3.47Å; V126-T157 PolarHBondContact N-O 3.05Å; V155-T157 HydrophobicContact CG1-CG2 4.05Å; T157-S159 VanDerWaalsContact C-N 3.25Å; T157-S159 PolarHBondContact O-N 2.96Å; T157-C199 CarbonylContact C-O 3.59Å; T157-C199 WeakPolarHBondContact CA-O 3.46Å
158	Q	98.4	Very high	97.7	Very high	45 Å²	45	49.8 Å²	49.8	21%	0.21	26%	0.256	C	S	.	.			trans	60.4	34.1	176.1	-54.6	173.1	-4.5	0	0	112.7	A55 S125 D160 L161 C199	A55-Q158 PolarHBondContact O-NE2 3.01Å; S125-Q158 PolarHBondContact OG-OE1 3.33Å; Q158-D160 PolarHBondContact O-N 2.88Å; Q158-D160 VanDerWaalsContact O-N 3.1Å; Q158-L161 HydrophobicContact CB-CD1 4.03Å; Q158-L161 HydrophobicContact CB-CG 4.32Å; Q158-L161 WeakPolarHBondContact O-CB 3.49Å; Q158-L161 PolarHBondContact O-N 3.5Å; Q158-C199 PolarHBondContact N-O 3.04Å; Q158-C199 VanDerWaalsContact N-O 3.15Å
159	S	98.6	Very high	97.9	Very high	15 Å²	15	50.1 Å²	50.1	11%	0.105	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.6	-178.6	69.3	0	0	0	0	113.8	T157 L161 R162 C199	T157-S159 VanDerWaalsContact C-N 3.25Å; T157-S159 PolarHBondContact O-N 2.96Å; S159-L161 PolarHBondContact O-N 2.98Å; S159-R162 WeakPolarHBondContact O-CB 3.11Å; S159-R162 PolarHBondContact O-N 2.75Å; S159-C199 PolarHBondContact N-O 2.82Å; S159-C199 VanDerWaalsContact N-O 3.14Å; S159-C199 VanDerWaalsContact OG-C 3.27Å; S159-C199 PolarHBondContact OG-O 2.79Å
160	D	98.1	Very high	98.1	Very high	53 Å²	53	48.2 Å²	48.2	28%	0.283	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-64.8	-23.8	173.5	53.3	-73.5	0	0	0	113.4	Q158 S200 L202 T203	Q158-D160 PolarHBondContact O-N 2.88Å; Q158-D160 VanDerWaalsContact O-N 3.1Å; D160-S200 WeakPolarHBondContact CB-OG 3.5Å; D160-S200 WeakPolarHBondContact OD1-CB 3.25Å; D160-S200 PolarHBondContact OD1-OG 3.25Å; D160-L202 WeakPolarHBondContact OD2-CD2 3.33Å; D160-T203 HydrophobicContact CB-CG2 4.05Å
161	L	98.1	Very high	98.2	Very high	49 Å²	49	48.4 Å²	48.4	26%	0.257	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-85.6	-7.8	-179.2	-61	-175.7	0	0	0	113.6	V127 Q158 S159 E163 D164 V167	V127-L161 HydrophobicContact CB-CB 4.43Å; V127-L161 HydrophobicContact CG1-CB 3.71Å; V127-L161 HydrophobicContact CG2-CB 3.92Å; V127-L161 HydrophobicContact CG2-CD1 3.93Å; Q158-L161 HydrophobicContact CB-CD1 4.03Å; Q158-L161 HydrophobicContact CB-CG 4.32Å; Q158-L161 WeakPolarHBondContact O-CB 3.49Å; Q158-L161 PolarHBondContact O-N 3.5Å; S159-L161 PolarHBondContact O-N 2.98Å; L161-E163 PolarHBondContact O-N 2.9Å; L161-D164 HydrophobicContact CD2-CB 4.44Å; L161-D164 WeakPolarHBondContact O-CB 3.32Å; L161-D164 PolarHBondContact O-N 3.46Å; L161-V167 HydrophobicContact CB-CG2 4.34Å
162	R	97.9	Very high	98.1	Very high	41 Å²	41	50.8 Å²	50.8	16%	0.155	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.6	-175.1	-179.1	-179.9	-71.6	-75.1	0.9	113	V126 S159 P178 V179 E198	V126-R162 HydrophobicContact CG2-CB 4.45Å; S159-R162 WeakPolarHBondContact O-CB 3.11Å; S159-R162 PolarHBondContact O-N 2.75Å; R162-P178 HydrophobicContact CG-CB 4.18Å; R162-V179 PolarHBondContact NH1-O 3.49Å; R162-V179 PolarHBondContact NH2-O 2.93Å; R162-E198 IonicContact CZ-OE1 2.76Å; R162-E198 IonicContact CZ-OE2 3.89Å; R162-E198 IonicContact NE-OE2 2.8Å; R162-E198 VanDerWaalsContact NH2-CD 3.26Å; R162-E198 IonicContact NH2-OE1 3.5Å; R162-E198 PolarHBondContact NH2-OE1 3.32Å; R162-E198 IonicContact NH2-OE2 3.74Å; R162-E198 PolarHBondContact NH2-OE2 3.27Å; R162-E198 VanDerWaalsContact NH2-OE2 3.08Å
163	E	97	Very high	98.1	Very high	167 Å²	167	56.8 Å²	56.8	78%	0.78	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	6.4	-179.4	-62.9	178.4	-175.7	0	0	112.4	L161 V165	L161-E163 PolarHBondContact O-N 2.9Å; E163-V165 PolarHBondContact O-N 3.18Å
164	D	98.1	Very high	98	Very high	62 Å²	62	65 Å²	65	33%	0.332	32%	0.322	S	S	.	.			trans	-69	121.8	179.3	-179.5	-83.2	0	0	0	110.6	L161 K166 V167 L168	L161-D164 HydrophobicContact CD2-CB 4.44Å; L161-D164 WeakPolarHBondContact O-CB 3.32Å; L161-D164 PolarHBondContact O-N 3.46Å; D164-K166 VanDerWaalsContact C-N 3.28Å; D164-K166 PolarHBondContact O-N 3.01Å; D164-K166 WeakPolarHBondContact OD1-CA 3.24Å; D164-K166 VanDerWaalsContact OD1-CB 3.31Å; D164-K166 WeakPolarHBondContact OD1-CB 3.45Å; D164-K166 PolarHBondContact OD1-N 3.23Å; D164-V167 HydrophobicContact CB-CB 4.1Å; D164-V167 HydrophobicContact CB-CG2 3.98Å; D164-V167 PolarHBondContact O-N 2.57Å; D164-V167 PolarHBondContact OD1-N 3.39Å; D164-L168 VanDerWaalsContact O-CG 3.32Å; D164-L168 WeakPolarHBondContact O-CG 3.37Å; D164-L168 PolarHBondContact O-N 3.19Å
165	V	97.9	Very high	97.9	Very high	101 Å²	101	74.5 Å²	74.5	61%	0.612	36%	0.363	S	S	*	.	H	α-helix	trans	-59.4	-38.1	-174.8	176.9	0	0	0	0	112.1	E163 I169	E163-V165 PolarHBondContact O-N 3.18Å; V165-I169 HydrophobicContact CG1-CD1 3.86Å; V165-I169 WeakPolarHBondContact O-CD1 3.46Å; V165-I169 VanDerWaalsContact O-CG1 3.22Å; V165-I169 WeakPolarHBondContact O-CG1 3.27Å; V165-I169 PolarHBondContact O-N 3.31Å
166	K	97.9	Very high	97.9	Very high	163 Å²	163	78.2 Å²	78.2	71%	0.709	38%	0.38	S	S	*	.	H	α-helix	trans	-70.1	-44.2	-178.8	-62	178.4	179.7	176.7	0	110.1	D164 L168 I169 E170	D164-K166 VanDerWaalsContact C-N 3.28Å; D164-K166 PolarHBondContact O-N 3.01Å; D164-K166 WeakPolarHBondContact OD1-CA 3.24Å; D164-K166 VanDerWaalsContact OD1-CB 3.31Å; D164-K166 WeakPolarHBondContact OD1-CB 3.45Å; D164-K166 PolarHBondContact OD1-N 3.23Å; K166-L168 VanDerWaalsContact C-N 3.34Å; K166-L168 PolarHBondContact O-N 2.77Å; K166-I169 PolarHBondContact O-N 3.34Å; K166-E170 WeakPolarHBondContact O-CG 3.35Å; K166-E170 PolarHBondContact O-N 3.08Å
167	V	97.6	Very high	97.9	Very high	30 Å²	30	83.8 Å²	83.8	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-60.2	-45.3	176.4	174.9	0	0	0	0	111.1	V127 L161 D164 I169 E170 L171	V127-V167 HydrophobicContact CB-CG1 3.66Å; V127-V167 HydrophobicContact CG1-CG1 3.8Å; V127-V167 HydrophobicContact CG2-CG1 4.19Å; L161-V167 HydrophobicContact CB-CG2 4.34Å; D164-V167 HydrophobicContact CB-CB 4.1Å; D164-V167 HydrophobicContact CB-CG2 3.98Å; D164-V167 PolarHBondContact O-N 2.57Å; D164-V167 PolarHBondContact OD1-N 3.39Å; V167-I169 VanDerWaalsContact C-N 3.34Å; V167-I169 PolarHBondContact O-N 3.24Å; V167-E170 PolarHBondContact O-N 2.87Å; V167-L171 HydrophobicContact CG1-CD1 3.99Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 WeakPolarHBondContact O-CG 3.12Å; V167-L171 PolarHBondContact O-N 3.08Å
168	L	98.1	Very high	97.8	Very high	71 Å²	71	84.2 Å²	84.2	37%	0.372	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-40.4	177.1	-69.4	175.2	0	0	0	112.5	D164 K166 A172 P178	D164-L168 VanDerWaalsContact O-CG 3.32Å; D164-L168 WeakPolarHBondContact O-CG 3.37Å; D164-L168 PolarHBondContact O-N 3.19Å; K166-L168 VanDerWaalsContact C-N 3.34Å; K166-L168 PolarHBondContact O-N 2.77Å; L168-A172 VanDerWaalsContact O-CB 3.29Å; L168-A172 WeakPolarHBondContact O-CB 3.32Å; L168-A172 PolarHBondContact O-N 2.53Å; L168-P178 HydrophobicContact CD2-CG 3.73Å
169	I	98.1	Very high	97.9	Very high	96 Å²	96	82.3 Å²	82.3	49%	0.492	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-44.7	175.2	-71.9	165.7	0	0	0	110.9	V165 K166 V167 A172 K173	V165-I169 HydrophobicContact CG1-CD1 3.86Å; V165-I169 WeakPolarHBondContact O-CD1 3.46Å; V165-I169 VanDerWaalsContact O-CG1 3.22Å; V165-I169 WeakPolarHBondContact O-CG1 3.27Å; V165-I169 PolarHBondContact O-N 3.31Å; K166-I169 PolarHBondContact O-N 3.34Å; V167-I169 VanDerWaalsContact C-N 3.34Å; V167-I169 PolarHBondContact O-N 3.24Å; I169-A172 PolarHBondContact O-N 2.88Å; I169-K173 WeakPolarHBondContact O-CG 3.49Å; I169-K173 PolarHBondContact O-N 3.41Å
170	E	97.1	Very high	97.8	Very high	94 Å²	94	85.1 Å²	85.1	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-46.8	179	-69.7	-55.2	141	0	0	111.9	K166 V167 A172 K173 Y174	K166-E170 WeakPolarHBondContact O-CG 3.35Å; K166-E170 PolarHBondContact O-N 3.08Å; V167-E170 PolarHBondContact O-N 2.87Å; E170-A172 VanDerWaalsContact C-N 3.31Å; E170-A172 PolarHBondContact O-N 2.83Å; E170-K173 WeakPolarHBondContact O-CB 3.31Å; E170-K173 PolarHBondContact O-N 3.18Å; E170-K173 IonicContact OE1-NZ 3.56Å; E170-K173 PolarHBondContact OE1-NZ 2.99Å; E170-K173 WeakPolarHBondContact OE2-CE 3.33Å; E170-K173 IonicContact OE2-NZ 3Å; E170-K173 PolarHBondContact OE2-NZ 3.39Å; E170-Y174 WeakPolarHBondContact O-CD2 3.33Å
171	L	97.6	Very high	97.8	Very high	14 Å²	14	84.9 Å²	84.9	7%	0.073	41%	0.409	C	S	.	.	H	α-helix	trans	-60.7	-41.1	176.9	-72	171.1	0	0	0	111.9	P129 V167 K173 Y174 K175 E176 P178	P129-L171 HydrophobicContact CG-CD2 4.29Å; V167-L171 HydrophobicContact CG1-CD1 3.99Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 WeakPolarHBondContact O-CG 3.12Å; V167-L171 PolarHBondContact O-N 3.08Å; L171-K173 PolarHBondContact O-N 3.25Å; L171-Y174 CarbonylContact O-C 3.54Å; L171-Y174 PolarHBondContact O-N 3.45Å; L171-K175 PolarHBondContact O-N 3.48Å; L171-E176 CarbonylContact C-O 3.47Å; L171-E176 HydrophobicContact CB-CB 4.26Å; L171-E176 HydrophobicContact CD2-CB 3.98Å; L171-E176 PolarHBondContact O-N 2.91Å; L171-P178 HydrophobicContact CD1-CG 3.92Å
172	A	97.4	Very high	97.9	Very high	64 Å²	64	89.1 Å²	89.1	53%	0.529	43%	0.427	S	S	.	.	H	α-helix	trans	-61.6	-29.8	178.9	0	0	0	0	0	113.1	L168 I169 E170 Y174 K175	L168-A172 VanDerWaalsContact O-CB 3.29Å; L168-A172 WeakPolarHBondContact O-CB 3.32Å; L168-A172 PolarHBondContact O-N 2.53Å; I169-A172 PolarHBondContact O-N 2.88Å; E170-A172 VanDerWaalsContact C-N 3.31Å; E170-A172 PolarHBondContact O-N 2.83Å; A172-Y174 PolarHBondContact O-N 3.48Å; A172-K175 PolarHBondContact O-N 3.25Å
173	K	97.8	Very high	97.9	Very high	127 Å²	127	91 Å²	91	55%	0.552	44%	0.438	S	S	*	.	H	α-helix	trans	-59.7	-32	174	-65.8	175.1	-169.7	169.7	0	112.2	I169 E170 L171	I169-K173 WeakPolarHBondContact O-CG 3.49Å; I169-K173 PolarHBondContact O-N 3.41Å; E170-K173 WeakPolarHBondContact O-CB 3.31Å; E170-K173 PolarHBondContact O-N 3.18Å; E170-K173 IonicContact OE1-NZ 3.56Å; E170-K173 PolarHBondContact OE1-NZ 2.99Å; E170-K173 WeakPolarHBondContact OE2-CE 3.33Å; E170-K173 IonicContact OE2-NZ 3Å; E170-K173 PolarHBondContact OE2-NZ 3.39Å; L171-K173 PolarHBondContact O-N 3.25Å
174	Y	96.8	Very high	98	Very high	173 Å²	173	83 Å²	83	68%	0.678	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	8	178.5	-60.9	-79.9	0	0	0	113	E170 L171 A172 E176	E170-Y174 WeakPolarHBondContact O-CD2 3.33Å; L171-Y174 CarbonylContact O-C 3.54Å; L171-Y174 PolarHBondContact O-N 3.45Å; A172-Y174 PolarHBondContact O-N 3.48Å; Y174-E176 PolarHBondContact O-N 3.49Å
175	K	97.6	Very high	98	Very high	199 Å²	199	83.8 Å²	83.8	87%	0.865	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	29.8	-173.7	-52.9	178.5	-178.7	178.5	0	113	L171 A172	L171-K175 PolarHBondContact O-N 3.48Å; A172-K175 PolarHBondContact O-N 3.25Å
176	E	97.8	Very high	98	Very high	78 Å²	78	83.5 Å²	83.5	36%	0.364	39%	0.394	S	S	.	.			trans	-100.9	165.8	176.7	-68	-169.6	158.7	0	0	111	P129 L171 Y174	P129-E176 HydrophobicContact CG-CB 4.2Å; L171-E176 CarbonylContact C-O 3.47Å; L171-E176 HydrophobicContact CB-CB 4.26Å; L171-E176 HydrophobicContact CD2-CB 3.98Å; L171-E176 PolarHBondContact O-N 2.91Å; Y174-E176 PolarHBondContact O-N 3.49Å
177	R	98.2	Very high	98.1	Very high	117 Å²	117	76.4 Å²	76.4	44%	0.442	37%	0.365	S	S	.	.			trans	-139.8	161.2	172.1	58.5	164.2	174.3	69.3	-3.2	109.5	P129 E183	P129-R177 VanDerWaalsContact CG-O 3.23Å; P129-R177 WeakPolarHBondContact CG-O 3.45Å; R177-E183 IonicContact CZ-OE1 2.57Å; R177-E183 IonicContact CZ-OE2 3.31Å; R177-E183 IonicContact NH1-OE1 2.87Å; R177-E183 IonicContact NH1-OE2 3.63Å; R177-E183 PolarHBondContact NH1-OE2 2.76Å; R177-E183 VanDerWaalsContact NH2-CD 3.31Å; R177-E183 IonicContact NH2-OE1 2.72Å; R177-E183 PolarHBondContact NH2-OE1 2.86Å; R177-E183 IonicContact NH2-OE2 3.65Å; R177-E183 PolarHBondContact NH2-OE2 3.48Å
178	P	98.6	Very high	98.1	Very high	10 Å²	10	75.1 Å²	75.1	7%	0.065	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-51.6	147	167.9	-26	35.9	0	0	0	111.4	V126 V127 R162 L168 L171 E180	V126-P178 CarbonylContact O-C 3.43Å; V126-P178 VanDerWaalsContact O-CA 3.23Å; V126-P178 WeakPolarHBondContact O-CA 3.37Å; V126-P178 WeakPolarHBondContact O-CB 3.33Å; V127-P178 HydrophobicContact CG1-CB 4.46Å; V127-P178 HydrophobicContact CG1-CG 4.41Å; R162-P178 HydrophobicContact CG-CB 4.18Å; L168-P178 HydrophobicContact CD2-CG 3.73Å; L171-P178 HydrophobicContact CD1-CG 3.92Å; P178-E180 PolarHBondContact O-N 3.07Å
179	V	98.7	Very high	98.1	Very high	5 Å²	5	76.9 Å²	76.9	3%	0.03	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-66.2	124	179.1	179.5	0	0	0	0	108.6	F124 V126 F132 R162 A184	F124-V179 HydrophobicContact CD2-CG2 4.48Å; F124-V179 HydrophobicContact CE2-CB 3.99Å; F124-V179 HydrophobicContact CE2-CG1 3.9Å; F124-V179 HydrophobicContact CE2-CG2 4.1Å; F124-V179 HydrophobicContact CZ-CG1 4.33Å; V126-V179 PolarHBondContact O-N 3.39Å; F132-V179 HydrophobicContact CB-CG1 4.39Å; F132-V179 HydrophobicContact CB-CG2 3.7Å; F132-V179 HydrophobicContact CD1-CG1 3.69Å; F132-V179 HydrophobicContact CD1-CG2 4.14Å; F132-V179 HydrophobicContact CD2-CG1 4.02Å; F132-V179 HydrophobicContact CE1-CG1 3.88Å; F132-V179 HydrophobicContact CE2-CG1 4.22Å; F132-V179 HydrophobicContact CG-CG1 3.76Å; F132-V179 HydrophobicContact CG-CG2 3.98Å; F132-V179 HydrophobicContact CZ-CG1 4.14Å; R162-V179 PolarHBondContact NH1-O 3.49Å; R162-V179 PolarHBondContact NH2-O 2.93Å; V179-A184 HydrophobicContact CG1-CB 4.22Å
180	E	98.3	Very high	98.1	Very high	74 Å²	74	77.7 Å²	77.7	35%	0.346	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-72.8	144.8	-179	-71.3	-57.6	151	0	0	111.1	P178 Q182 E183 A184	P178-E180 PolarHBondContact O-N 3.07Å; E180-Q182 PolarHBondContact O-N 2.91Å; E180-Q182 VanDerWaalsContact O-N 3.17Å; E180-E183 HydrophobicContact CB-CG 4.1Å; E180-E183 WeakPolarHBondContact CB-OE2 3.26Å; E180-E183 PolarHBondContact N-OE2 2.95Å; E180-E183 WeakPolarHBondContact O-CB 3.36Å; E180-E183 PolarHBondContact O-N 3.01Å; E180-A184 PolarHBondContact O-N 2.78Å
181	P	98.3	Very high	98.1	Very high	48 Å²	48	74.1 Å²	74.1	31%	0.312	35%	0.352	S	S	.	.	H	α-helix	trans	-55.8	-35.3	178.3	-24.5	33	0	0	0	113.2	A184 Q185 E198	P181-A184 PolarHBondContact O-N 3.09Å; P181-Q185 VanDerWaalsContact O-CB 3.28Å; P181-Q185 WeakPolarHBondContact O-CB 3.38Å; P181-Q185 PolarHBondContact O-N 3.4Å; P181-E198 WeakPolarHBondContact CG-OE1 3.38Å
182	Q	98.4	Very high	98.1	Very high	138 Å²	138	83.7 Å²	83.7	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-67.5	-36.7	178.8	-61.4	85.6	-1.5	0	0	112.3	E180 Q185 Q186	E180-Q182 PolarHBondContact O-N 2.91Å; E180-Q182 VanDerWaalsContact O-N 3.17Å; Q182-Q185 PolarHBondContact O-N 3.25Å; Q182-Q186 PolarHBondContact O-N 3.2Å
183	E	98.3	Very high	98.1	Very high	79 Å²	79	81.5 Å²	81.5	37%	0.369	37%	0.37	S	S	.	.	H	α-helix	trans	-66.3	-44.3	178.2	-64.8	173.8	135.8	0	0	110.6	F132 R177 E180 Q186 C187	F132-E183 HydrophobicContact CE1-CB 4.39Å; F132-E183 HydrophobicContact CZ-CB 4.5Å; R177-E183 IonicContact CZ-OE1 2.57Å; R177-E183 IonicContact CZ-OE2 3.31Å; R177-E183 IonicContact NH1-OE1 2.87Å; R177-E183 IonicContact NH1-OE2 3.63Å; R177-E183 PolarHBondContact NH1-OE2 2.76Å; R177-E183 VanDerWaalsContact NH2-CD 3.31Å; R177-E183 IonicContact NH2-OE1 2.72Å; R177-E183 PolarHBondContact NH2-OE1 2.86Å; R177-E183 IonicContact NH2-OE2 3.65Å; R177-E183 PolarHBondContact NH2-OE2 3.48Å; E180-E183 HydrophobicContact CB-CG 4.1Å; E180-E183 WeakPolarHBondContact CB-OE2 3.26Å; E180-E183 PolarHBondContact N-OE2 2.95Å; E180-E183 WeakPolarHBondContact O-CB 3.36Å; E180-E183 PolarHBondContact O-N 3.01Å; E183-Q186 PolarHBondContact O-N 2.81Å; E183-C187 WeakPolarHBondContact O-CB 3.23Å; E183-C187 PolarHBondContact O-N 2.92Å
184	A	98.6	Very high	98.1	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-69.8	-36.2	178	0	0	0	0	0	112.9	F124 F132 L154 V179 E180 P181 C187 A188 Y196	F124-A184 HydrophobicContact CE1-CB 4.23Å; F124-A184 HydrophobicContact CZ-CB 3.7Å; F132-A184 HydrophobicContact CE2-CB 3.8Å; F132-A184 HydrophobicContact CZ-CB 4.18Å; L154-A184 WeakPolarHBondContact CD2-O 3.32Å; V179-A184 HydrophobicContact CG1-CB 4.22Å; E180-A184 PolarHBondContact O-N 2.78Å; P181-A184 PolarHBondContact O-N 3.09Å; A184-C187 PolarHBondContact O-N 3.14Å; A184-A188 WeakPolarHBondContact O-CB 3.38Å; A184-A188 PolarHBondContact O-N 3.44Å; A184-Y196 HydrophobicContact CB-CD1 4.23Å; A184-Y196 HydrophobicContact CB-CD2 4.13Å; A184-Y196 HydrophobicContact CB-CE1 3.65Å; A184-Y196 HydrophobicContact CB-CE2 3.54Å; A184-Y196 HydrophobicContact CB-CG 4.44Å; A184-Y196 VanDerWaalsContact CB-OH 3.32Å; A184-Y196 WeakPolarHBondContact CB-OH 3.45Å
185	Q	98.7	Very high	98.2	Very high	78 Å²	78	72.8 Å²	72.8	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-47.3	171.8	-179.4	62.6	38	0	0	111.3	P181 Q182 C187 A188 E189 Y196	P181-Q185 VanDerWaalsContact O-CB 3.28Å; P181-Q185 WeakPolarHBondContact O-CB 3.38Å; P181-Q185 PolarHBondContact O-N 3.4Å; Q182-Q185 PolarHBondContact O-N 3.25Å; Q185-C187 PolarHBondContact O-N 3.48Å; Q185-A188 WeakPolarHBondContact O-CB 3.45Å; Q185-A188 PolarHBondContact O-N 2.88Å; Q185-E189 PolarHBondContact NE2-OE1 3.16Å; Q185-E189 PolarHBondContact O-N 3.35Å; Q185-E189 VanDerWaalsContact O-N 3.13Å; Q185-Y196 HydrophobicContact CB-CD1 4.13Å
186	Q	98.7	Very high	98.2	Very high	96 Å²	96	64.5 Å²	64.5	45%	0.449	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-44.9	177	-173.8	61.9	60.3	0	0	111.4	Q182 E183 A188 E189 D190	Q182-Q186 PolarHBondContact O-N 3.2Å; E183-Q186 PolarHBondContact O-N 2.81Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 3.04Å; Q186-E189 WeakPolarHBondContact O-CB 3.17Å; Q186-E189 PolarHBondContact O-N 3.32Å; Q186-E189 VanDerWaalsContact O-N 3.14Å; Q186-D190 PolarHBondContact NE2-OD1 2.55Å; Q186-D190 VanDerWaalsContact O-CG 3.24Å; Q186-D190 PolarHBondContact O-N 3.41Å
187	C	98.6	Very high	98.3	Very high	14 Å²	14	62.7 Å²	62.7	10%	0.095	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-41	176	178.9	0	0	0	0	112.1	F132 E183 A184 Q185 E189 D190 M191	F132-C187 HydrophobicContact CE2-CB 3.83Å; F132-C187 HydrophobicContact CZ-CB 3.59Å; E183-C187 WeakPolarHBondContact O-CB 3.23Å; E183-C187 PolarHBondContact O-N 2.92Å; A184-C187 PolarHBondContact O-N 3.14Å; Q185-C187 PolarHBondContact O-N 3.48Å; C187-E189 VanDerWaalsContact C-N 3.33Å; C187-E189 PolarHBondContact O-N 2.81Å; C187-D190 PolarHBondContact O-N 3.43Å; C187-M191 VanDerWaalsContact O-CG 3.23Å; C187-M191 WeakPolarHBondContact O-CG 3.14Å; C187-M191 PolarHBondContact O-N 3.25Å
188	A	98.6	Very high	98.3	Very high	3 Å²	3	58.6 Å²	58.6	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-40.1	177.5	0	0	0	0	0	112	L154 A184 Q185 Q186 M191 R192 A193	L154-A188 HydrophobicContact CB-CB 4.14Å; L154-A188 HydrophobicContact CD2-CB 3.86Å; A184-A188 WeakPolarHBondContact O-CB 3.38Å; A184-A188 PolarHBondContact O-N 3.44Å; Q185-A188 WeakPolarHBondContact O-CB 3.45Å; Q185-A188 PolarHBondContact O-N 2.88Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 3.04Å; A188-M191 WeakPolarHBondContact O-CG 3.34Å; A188-R192 PolarHBondContact O-N 3.09Å; A188-A193 HydrophobicContact CB-CB 3.92Å; A188-A193 VanDerWaalsContact O-CB 3.29Å; A188-A193 WeakPolarHBondContact O-CB 3.1Å; A188-A193 PolarHBondContact O-N 3.48Å
189	E	98.4	Very high	98.3	Very high	107 Å²	107	58.1 Å²	58.1	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-47.2	175.5	-69.5	173.1	-163	0	0	111.5	Q185 Q186 C187 M191 R192	Q185-E189 PolarHBondContact NE2-OE1 3.16Å; Q185-E189 PolarHBondContact O-N 3.35Å; Q185-E189 VanDerWaalsContact O-N 3.13Å; Q186-E189 WeakPolarHBondContact O-CB 3.17Å; Q186-E189 PolarHBondContact O-N 3.32Å; Q186-E189 VanDerWaalsContact O-N 3.14Å; C187-E189 VanDerWaalsContact C-N 3.33Å; C187-E189 PolarHBondContact O-N 2.81Å; E189-M191 VanDerWaalsContact C-N 3.33Å; E189-M191 PolarHBondContact O-N 3Å; E189-R192 WeakPolarHBondContact O-CA 3.45Å; E189-R192 PolarHBondContact O-N 3.49Å
190	D	98	Very high	98.3	Very high	114 Å²	114	57.9 Å²	57.9	61%	0.61	28%	0.283	S	S	*	.	H	α-helix	trans	-61	-41	-178.7	-66.2	-15	0	0	0	112	Q186 C187 R192	Q186-D190 PolarHBondContact NE2-OD1 2.55Å; Q186-D190 VanDerWaalsContact O-CG 3.24Å; Q186-D190 PolarHBondContact O-N 3.41Å; C187-D190 PolarHBondContact O-N 3.43Å; D190-R192 VanDerWaalsContact C-N 3.25Å; D190-R192 PolarHBondContact O-N 3.17Å
191	M	96.9	Very high	98.2	Very high	18 Å²	18	54.7 Å²	54.7	9%	0.089	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.7	176.8	74.6	-176.6	-108.3	0	0	114.1	L122 V135 V140 V152 L154 C187 A188 E189 A193	L122-M191 HydrophobicContact CD2-CE 3.8Å; L122-M191 HydrophobicContact CD2-SD 4.46Å; V135-M191 HydrophobicContact CG1-SD 3.94Å; V140-M191 HydrophobicContact CG1-CB 4.46Å; V140-M191 HydrophobicContact CG2-CB 4.06Å; V140-M191 HydrophobicContact CG2-CE 3.84Å; V140-M191 HydrophobicContact CG2-CG 4.47Å; V140-M191 HydrophobicContact CG2-SD 3.79Å; V152-M191 HydrophobicContact CB-CE 4.06Å; V152-M191 HydrophobicContact CG1-CE 3.48Å; V152-M191 VanDerWaalsContact CG1-CE 3.48Å; L154-M191 HydrophobicContact CD1-SD 4.4Å; C187-M191 VanDerWaalsContact O-CG 3.23Å; C187-M191 WeakPolarHBondContact O-CG 3.14Å; C187-M191 PolarHBondContact O-N 3.25Å; A188-M191 WeakPolarHBondContact O-CG 3.34Å; E189-M191 VanDerWaalsContact C-N 3.33Å; E189-M191 PolarHBondContact O-N 3Å; M191-A193 VanDerWaalsContact C-N 3.33Å; M191-A193 HydrophobicContact CE-CB 3.9Å; M191-A193 HydrophobicContact CG-CB 4.05Å; M191-A193 PolarHBondContact O-N 2.63Å; M191-A193 HydrophobicContact SD-CB 4.38Å
192	R	97.2	Very high	98.1	Very high	215 Å²	215	56.8 Å²	56.8	81%	0.811	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	45	-174.9	-53	176.9	-176.2	169.5	0.6	112.6	A188 E189 D190	A188-R192 PolarHBondContact O-N 3.09Å; E189-R192 WeakPolarHBondContact O-CA 3.45Å; E189-R192 PolarHBondContact O-N 3.49Å; D190-R192 VanDerWaalsContact C-N 3.25Å; D190-R192 PolarHBondContact O-N 3.17Å
193	A	98.3	Very high	98	Very high	19 Å²	19	54.2 Å²	54.2	16%	0.157	27%	0.271	C	S	.	.			trans	-63.7	155.9	165.8	0	0	0	0	0	109.9	V152 L154 A188 M191	V152-A193 CarbonylContact O-C 3.58Å; V152-A193 WeakPolarHBondContact O-CA 3.4Å; L154-A193 HydrophobicContact CB-CB 4.5Å; A188-A193 HydrophobicContact CB-CB 3.92Å; A188-A193 VanDerWaalsContact O-CB 3.29Å; A188-A193 WeakPolarHBondContact O-CB 3.1Å; A188-A193 PolarHBondContact O-N 3.48Å; M191-A193 VanDerWaalsContact C-N 3.33Å; M191-A193 HydrophobicContact CE-CB 3.9Å; M191-A193 HydrophobicContact CG-CB 4.05Å; M191-A193 PolarHBondContact O-N 2.63Å; M191-A193 HydrophobicContact SD-CB 4.38Å
194	V	97.7	Very high	97.8	Very high	80 Å²	80	53.9 Å²	53.9	49%	0.485	27%	0.27	S	S	.	.	S	Bend	trans	-70.6	-37.7	173.6	179.1	0	0	0	0	110.7	P151 V152 V153 A217	P151-V194 HydrophobicContact CB-CG2 3.65Å; V152-V194 PolarHBondContact O-N 3.15Å; V153-V194 HydrophobicContact CG2-CB 4.44Å; V194-A217 HydrophobicContact CB-CB 4.37Å; V194-A217 HydrophobicContact CG1-CB 3.81Å; V194-A217 HydrophobicContact CG2-CB 4.28Å
195	S	97.8	Very high	97.8	Very high	37 Å²	37	59.7 Å²	59.7	26%	0.259	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	165.6	176.4	57.1	0	0	0	0	111	L154	L154-S195 PolarHBondContact N-O 2.68Å
196	Y	98.8	Very high	97.8	Very high	25 Å²	25	59 Å²	59	10%	0.098	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139	164.9	169.6	-120.7	0	0	0	109.9	F124 L154 A184 Q185 E198	F124-Y196 AromaticContact CE1-CE2 3.76Å; F124-Y196 HydrophobicContact CE1-CE2 3.76Å; F124-Y196 AromaticContact CZ-CE2 3.87Å; F124-Y196 HydrophobicContact CZ-CE2 3.87Å; L154-Y196 HydrophobicContact CB-CD2 4.14Å; L154-Y196 HydrophobicContact CD2-CD2 3.91Å; L154-Y196 HydrophobicContact CD2-CE2 4.47Å; L154-Y196 HydrophobicContact CG-CD2 3.9Å; L154-Y196 HydrophobicContact CG-CE2 4.47Å; L154-Y196 WeakPolarHBondContact O-CA 3.33Å; L154-Y196 WeakPolarHBondContact O-CD2 3.29Å; A184-Y196 HydrophobicContact CB-CD1 4.23Å; A184-Y196 HydrophobicContact CB-CD2 4.13Å; A184-Y196 HydrophobicContact CB-CE1 3.65Å; A184-Y196 HydrophobicContact CB-CE2 3.54Å; A184-Y196 HydrophobicContact CB-CG 4.44Å; A184-Y196 VanDerWaalsContact CB-OH 3.32Å; A184-Y196 WeakPolarHBondContact CB-OH 3.45Å; Q185-Y196 HydrophobicContact CB-CD1 4.13Å; Y196-E198 HydrophobicContact CE1-CG 4.1Å; Y196-E198 HydrophobicContact CE2-CG 4.26Å; Y196-E198 VanDerWaalsContact OH-CD 3.22Å; Y196-E198 WeakPolarHBondContact OH-CG 3.19Å; Y196-E198 PolarHBondContact OH-OE1 2.99Å
197	M	98.6	Very high	97.6	Very high	39 Å²	39	54.9 Å²	54.9	19%	0.192	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143.9	171.9	-69.6	-175.7	-75.6	0	0	111.7	V153 L154 V155 G156 E209 V210 A213	V153-M197 HydrophobicContact CG1-CE 3.88Å; L154-M197 PolarHBondContact O-N 2.98Å; V155-M197 CarbonylContact C-O 3.49Å; V155-M197 WeakPolarHBondContact CA-O 3.5Å; G156-M197 PolarHBondContact N-O 3.32Å; M197-E209 HydrophobicContact SD-CB 4.28Å; M197-V210 HydrophobicContact CB-CG2 4.18Å; M197-V210 HydrophobicContact CE-CB 4.42Å; M197-V210 HydrophobicContact CE-CG2 4.23Å; M197-A213 HydrophobicContact CE-CB 3.29Å; M197-A213 HydrophobicContact SD-CB 4.34Å
198	E	98.7	Very high	97.5	Very high	31 Å²	31	59.8 Å²	59.8	15%	0.145	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	143.6	168.4	-67.5	-173.1	-167.1	0	0	111.3	V126 G156 R162 P181 Y196 N206	V126-E198 HydrophobicContact CG1-CG 4.11Å; G156-E198 CarbonylContact O-C 3.53Å; G156-E198 WeakPolarHBondContact O-CA 3.31Å; R162-E198 IonicContact CZ-OE1 2.76Å; R162-E198 IonicContact CZ-OE2 3.89Å; R162-E198 IonicContact NE-OE2 2.8Å; R162-E198 VanDerWaalsContact NH2-CD 3.26Å; R162-E198 IonicContact NH2-OE1 3.5Å; R162-E198 PolarHBondContact NH2-OE1 3.32Å; R162-E198 IonicContact NH2-OE2 3.74Å; R162-E198 PolarHBondContact NH2-OE2 3.27Å; R162-E198 VanDerWaalsContact NH2-OE2 3.08Å; P181-E198 WeakPolarHBondContact CG-OE1 3.38Å; Y196-E198 HydrophobicContact CE1-CG 4.1Å; Y196-E198 HydrophobicContact CE2-CG 4.26Å; Y196-E198 VanDerWaalsContact OH-CD 3.22Å; Y196-E198 WeakPolarHBondContact OH-CG 3.19Å; Y196-E198 PolarHBondContact OH-OE1 2.99Å; E198-N206 WeakPolarHBondContact O-CB 3.47Å; E198-N206 PolarHBondContact O-ND2 3.22Å
199	C	98.6	Very high	97.4	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.			trans	-145.7	162.1	176.5	67.3	0	0	0	0	112.7	L61 G156 T157 Q158 S159 K205 N206 V210	L61-C199 WeakPolarHBondContact CD1-SG 3.22Å; G156-C199 PolarHBondContact O-N 3.14Å; T157-C199 CarbonylContact C-O 3.59Å; T157-C199 WeakPolarHBondContact CA-O 3.46Å; Q158-C199 PolarHBondContact N-O 3.04Å; Q158-C199 VanDerWaalsContact N-O 3.15Å; S159-C199 PolarHBondContact N-O 2.82Å; S159-C199 VanDerWaalsContact N-O 3.14Å; S159-C199 VanDerWaalsContact OG-C 3.27Å; S159-C199 PolarHBondContact OG-O 2.79Å; C199-K205 VanDerWaalsContact CA-O 3.29Å; C199-K205 WeakPolarHBondContact CA-O 3.42Å; C199-K205 WeakPolarHBondContact CB-O 3.41Å; C199-N206 HydrophobicContact CB-CB 4.09Å; C199-V210 HydrophobicContact CB-CG2 3.95Å
200	S	98.3	Very high	97.4	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.			trans	-126.8	115.6	170.6	169.4	0	0	0	0	108.7	D160 L202 T203 Q204 K205	D160-S200 WeakPolarHBondContact CB-OG 3.5Å; D160-S200 WeakPolarHBondContact OD1-CB 3.25Å; D160-S200 PolarHBondContact OD1-OG 3.25Å; S200-L202 PolarHBondContact O-N 3.48Å; S200-L202 PolarHBondContact OG-N 3.04Å; S200-T203 WeakPolarHBondContact CB-OG1 3.49Å; S200-T203 PolarHBondContact OG-N 2.9Å; S200-T203 PolarHBondContact OG-OG1 2.96Å; S200-Q204 CarbonylContact O-C 3.46Å; S200-Q204 WeakPolarHBondContact O-CA 3.41Å; S200-Q204 PolarHBondContact O-N 3.43Å; S200-K205 PolarHBondContact N-O 3.26Å; S200-K205 PolarHBondContact O-N 3Å
201	S	97	Very high	97.4	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.049	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.5	174.1	-46.6	0	0	0	0	111.7	L61 S64 Y70	L61-S201 VanDerWaalsContact CA-OG 3.25Å; L61-S201 WeakPolarHBondContact CA-OG 3.45Å; L61-S201 PolarHBondContact N-OG 3.1Å; S64-S201 WeakPolarHBondContact CB-O 3.38Å; S64-S201 PolarHBondContact OG-O 3.36Å; Y70-S201 WeakPolarHBondContact CD2-O 3.48Å
202	L	95.3	Very high	97.4	Very high	92 Å²	92	55.3 Å²	55.3	48%	0.482	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-51.3	180	178.9	63.7	0	0	0	111.7	Y70 D160 S200 Q204	Y70-L202 HydrophobicContact CD1-CD1 3.81Å; Y70-L202 VanDerWaalsContact CD2-CA 3.49Å; Y70-L202 HydrophobicContact CD2-CB 4.15Å; Y70-L202 HydrophobicContact CD2-CD1 4.28Å; Y70-L202 HydrophobicContact CE1-CD1 4.08Å; Y70-L202 HydrophobicContact CE2-CB 4.03Å; Y70-L202 HydrophobicContact CG-CD1 3.92Å; D160-L202 WeakPolarHBondContact OD2-CD2 3.33Å; S200-L202 PolarHBondContact O-N 3.48Å; S200-L202 PolarHBondContact OG-N 3.04Å; L202-Q204 VanDerWaalsContact C-N 3.34Å
203	T	96.1	Very high	97.4	Very high	85 Å²	85	46.5 Å²	46.5	52%	0.521	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.9	179.9	64.3	0	0	0	0	112.9	D160 S200 K205	D160-T203 HydrophobicContact CB-CG2 4.05Å; S200-T203 WeakPolarHBondContact CB-OG1 3.49Å; S200-T203 PolarHBondContact OG-N 2.9Å; S200-T203 PolarHBondContact OG-OG1 2.96Å; T203-K205 PolarHBondContact O-N 3.05Å; T203-K205 WeakPolarHBondContact OG1-CB 3.36Å
204	Q	95.8	Very high	97.4	Very high	72 Å²	72	45.7 Å²	45.7	34%	0.336	24%	0.237	S	C	.	.			trans	61.2	13.2	-173.1	-56.7	178.6	-10	0	0	114.4	N68 S200 L202 N206 L207	N68-Q204 VanDerWaalsContact C-NE2 3.3Å; N68-Q204 PolarHBondContact O-NE2 2.86Å; S200-Q204 CarbonylContact O-C 3.46Å; S200-Q204 WeakPolarHBondContact O-CA 3.41Å; S200-Q204 PolarHBondContact O-N 3.43Å; L202-Q204 VanDerWaalsContact C-N 3.34Å; Q204-N206 PolarHBondContact O-N 3.41Å; Q204-L207 HydrophobicContact CB-CB 4.49Å; Q204-L207 HydrophobicContact CB-CD2 4.12Å; Q204-L207 HydrophobicContact CG-CD2 4.05Å; Q204-L207 WeakPolarHBondContact O-CB 3.46Å; Q204-L207 PolarHBondContact O-N 3.19Å
205	K	97.8	Very high	97.3	Very high	122 Å²	122	42 Å²	42	53%	0.53	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	128	175.2	-177.7	-179.7	177.6	-176	0	110.5	C199 S200 T203 L207	C199-K205 VanDerWaalsContact CA-O 3.29Å; C199-K205 WeakPolarHBondContact CA-O 3.42Å; C199-K205 WeakPolarHBondContact CB-O 3.41Å; S200-K205 PolarHBondContact N-O 3.26Å; S200-K205 PolarHBondContact O-N 3Å; T203-K205 PolarHBondContact O-N 3.05Å; T203-K205 WeakPolarHBondContact OG1-CB 3.36Å; K205-L207 PolarHBondContact O-N 3.39Å; K205-L207 VanDerWaalsContact O-N 3.09Å
206	N	97.9	Very high	97.3	Very high	63 Å²	63	43 Å²	43	34%	0.337	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	15.1	179.1	-63.5	-14.1	0	0	0	115.1	E198 C199 Q204 E209 V210	E198-N206 WeakPolarHBondContact O-CB 3.47Å; E198-N206 PolarHBondContact O-ND2 3.22Å; C199-N206 HydrophobicContact CB-CB 4.09Å; Q204-N206 PolarHBondContact O-N 3.41Å; N206-E209 WeakPolarHBondContact CA-OE2 3.29Å; N206-E209 PolarHBondContact O-N 2.98Å; N206-V210 WeakPolarHBondContact O-CG2 3.5Å; N206-V210 PolarHBondContact O-N 3.3Å
207	L	95.8	Very high	97.2	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-45.8	-173.2	-178	63.5	0	0	0	111.2	L61 S64 Y65 Q204 K205 E209 F211	L61-L207 HydrophobicContact CD1-CD1 3.35Å; L61-L207 HydrophobicContact CG-CD1 4.18Å; S64-L207 VanDerWaalsContact OG-CD2 3.31Å; S64-L207 WeakPolarHBondContact OG-CD2 3.23Å; Y65-L207 HydrophobicContact CD2-CG 4.48Å; Q204-L207 HydrophobicContact CB-CB 4.49Å; Q204-L207 HydrophobicContact CB-CD2 4.12Å; Q204-L207 HydrophobicContact CG-CD2 4.05Å; Q204-L207 WeakPolarHBondContact O-CB 3.46Å; Q204-L207 PolarHBondContact O-N 3.19Å; K205-L207 PolarHBondContact O-N 3.39Å; K205-L207 VanDerWaalsContact O-N 3.09Å; L207-E209 PolarHBondContact N-OE2 2.71Å; L207-F211 HydrophobicContact CD1-CE2 4.12Å; L207-F211 VanDerWaalsContact O-CD2 3.24Å; L207-F211 WeakPolarHBondContact O-CD2 3.08Å
208	K	95.1	Very high	97.1	Very high	116 Å²	116	40.5 Å²	40.5	50%	0.504	21%	0.21	S	C	.	.	H	α-helix	trans	-68.3	-40.6	-179.4	-171.3	-171	-177.5	-55.8	0	111	V210 F211 D212	K208-V210 VanDerWaalsContact C-N 3.32Å; K208-V210 PolarHBondContact O-N 3.13Å; K208-F211 PolarHBondContact O-N 3Å; K208-D212 IonicContact NZ-OD1 3.07Å; K208-D212 PolarHBondContact NZ-OD1 3.37Å; K208-D212 IonicContact NZ-OD2 3.46Å; K208-D212 PolarHBondContact NZ-OD2 3.4Å; K208-D212 WeakPolarHBondContact O-CB 3.48Å; K208-D212 VanDerWaalsContact O-CG 3.31Å; K208-D212 PolarHBondContact O-N 3.04Å
209	E	97.8	Very high	96.9	Very high	93 Å²	93	39.9 Å²	39.9	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-60.4	-40.6	-177.5	-66.6	76.6	-177.4	0	0	111.3	M197 N206 L207 F211 D212 A213	M197-E209 HydrophobicContact SD-CB 4.28Å; N206-E209 WeakPolarHBondContact CA-OE2 3.29Å; N206-E209 PolarHBondContact O-N 2.98Å; L207-E209 PolarHBondContact N-OE2 2.71Å; E209-F211 PolarHBondContact O-N 2.95Å; E209-D212 PolarHBondContact O-N 3.21Å; E209-A213 WeakPolarHBondContact O-CB 3.41Å; E209-A213 PolarHBondContact O-N 3.49Å
210	V	98.3	Very high	96.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.5	-50.1	173.7	169.6	0	0	0	0	111.9	L61 L121 V155 M197 C199 N206 K208 A214	L61-V210 HydrophobicContact CD2-CG1 4.33Å; L121-V210 HydrophobicContact CD1-CG1 3.85Å; L121-V210 HydrophobicContact CD2-CG1 3.94Å; V155-V210 HydrophobicContact CG1-CG1 4.22Å; V155-V210 HydrophobicContact CG1-CG2 4.13Å; V155-V210 HydrophobicContact CG2-CG1 3.85Å; M197-V210 HydrophobicContact CB-CG2 4.18Å; M197-V210 HydrophobicContact CE-CB 4.42Å; M197-V210 HydrophobicContact CE-CG2 4.23Å; C199-V210 HydrophobicContact CB-CG2 3.95Å; N206-V210 WeakPolarHBondContact O-CG2 3.5Å; N206-V210 PolarHBondContact O-N 3.3Å; K208-V210 VanDerWaalsContact C-N 3.32Å; K208-V210 PolarHBondContact O-N 3.13Å; V210-A214 PolarHBondContact O-N 2.98Å
211	F	97.6	Very high	96.5	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-73.7	-38.8	-179.1	-69.4	-79.4	0	0	0	112.3	L61 Y65 L95 L97 L121 L207 K208 E209 A213 A214 I215	L61-F211 HydrophobicContact CD1-CE2 4.43Å; L61-F211 HydrophobicContact CD2-CE2 4.49Å; L61-F211 HydrophobicContact CD2-CZ 4.27Å; L61-F211 HydrophobicContact CG-CE2 3.95Å; L61-F211 HydrophobicContact CG-CZ 3.95Å; Y65-F211 HydrophobicContact CD1-CD1 4.26Å; Y65-F211 AromaticContact CD1-CD2 3.88Å; Y65-F211 HydrophobicContact CD1-CD2 3.88Å; Y65-F211 HydrophobicContact CD1-CE1 4.34Å; Y65-F211 AromaticContact CD1-CE2 4Å; Y65-F211 HydrophobicContact CD1-CE2 4Å; Y65-F211 HydrophobicContact CD1-CG 4.03Å; Y65-F211 HydrophobicContact CD1-CZ 4.22Å; Y65-F211 HydrophobicContact CD2-CB 4.24Å; Y65-F211 AromaticContact CD2-CD2 3.25Å; Y65-F211 HydrophobicContact CD2-CD2 3.25Å; Y65-F211 AromaticContact CD2-CE2 3.78Å; Y65-F211 HydrophobicContact CD2-CE2 3.78Å; Y65-F211 AromaticContact CD2-CG 3.89Å; Y65-F211 HydrophobicContact CD2-CG 3.89Å; Y65-F211 HydrophobicContact CE1-CB 4.28Å; Y65-F211 HydrophobicContact CE1-CD1 4.29Å; Y65-F211 HydrophobicContact CE1-CD2 4.25Å; Y65-F211 HydrophobicContact CE1-CG 4.01Å; Y65-F211 HydrophobicContact CE2-CB 3.72Å; Y65-F211 AromaticContact CE2-CD2 3.66Å; Y65-F211 HydrophobicContact CE2-CD2 3.66Å; Y65-F211 AromaticContact CE2-CG 3.85Å; Y65-F211 HydrophobicContact CE2-CG 3.85Å; Y65-F211 AromaticContact CG-CD2 3.35Å; Y65-F211 HydrophobicContact CG-CD2 3.35Å; Y65-F211 AromaticContact CG-CE2 3.43Å; Y65-F211 HydrophobicContact CG-CE2 3.43Å; Y65-F211 VanDerWaalsContact CG-CE2 3.43Å; Y65-F211 AromaticContact CG-CG 3.96Å; Y65-F211 HydrophobicContact CG-CG 3.96Å; Y65-F211 HydrophobicContact CG-CZ 4.07Å; Y65-F211 AromaticContact CZ-CG 3.9Å; L95-F211 HydrophobicContact CD2-CD1 4.36Å; L97-F211 HydrophobicContact CD1-CE1 3.93Å; L97-F211 HydrophobicContact CD1-CZ 4.48Å; L97-F211 HydrophobicContact CD2-CD1 3.9Å; L97-F211 HydrophobicContact CD2-CE1 3.64Å; L97-F211 HydrophobicContact CG-CE1 4.44Å; L121-F211 HydrophobicContact CD1-CD1 4.17Å; L121-F211 HydrophobicContact CD1-CE1 3.85Å; L121-F211 HydrophobicContact CD1-CZ 4.35Å; L207-F211 HydrophobicContact CD1-CE2 4.12Å; L207-F211 VanDerWaalsContact O-CD2 3.24Å; L207-F211 WeakPolarHBondContact O-CD2 3.08Å; K208-F211 PolarHBondContact O-N 3Å; E209-F211 PolarHBondContact O-N 2.95Å; F211-A213 PolarHBondContact O-N 3.33Å; F211-A214 PolarHBondContact O-N 3.23Å; F211-I215 VanDerWaalsContact O-CD1 3.27Å; F211-I215 WeakPolarHBondContact O-CD1 3.47Å; F211-I215 WeakPolarHBondContact O-CG1 3.15Å; F211-I215 PolarHBondContact O-N 3.13Å
212	D	96.3	Very high	96.2	Very high	55 Å²	55	50.2 Å²	50.2	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-57.9	-48.1	175.6	-75.8	-8.3	0	0	0	111.1	K208 E209 A214 I215 V216	K208-D212 IonicContact NZ-OD1 3.07Å; K208-D212 PolarHBondContact NZ-OD1 3.37Å; K208-D212 IonicContact NZ-OD2 3.46Å; K208-D212 PolarHBondContact NZ-OD2 3.4Å; K208-D212 WeakPolarHBondContact O-CB 3.48Å; K208-D212 VanDerWaalsContact O-CG 3.31Å; K208-D212 PolarHBondContact O-N 3.04Å; E209-D212 PolarHBondContact O-N 3.21Å; D212-A214 VanDerWaalsContact C-N 3.31Å; D212-A214 PolarHBondContact O-N 3.4Å; D212-I215 PolarHBondContact O-N 2.92Å; D212-V216 WeakPolarHBondContact O-CB 3.45Å; D212-V216 VanDerWaalsContact O-CG2 3.31Å; D212-V216 WeakPolarHBondContact O-CG2 3.31Å; D212-V216 PolarHBondContact O-N 2.94Å
213	A	97.4	Very high	96	Very high	29 Å²	29	48.3 Å²	48.3	24%	0.24	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-40.8	178.5	0	0	0	0	0	111.6	M197 E209 F211 V216 A217	M197-A213 HydrophobicContact CE-CB 3.29Å; M197-A213 HydrophobicContact SD-CB 4.34Å; E209-A213 WeakPolarHBondContact O-CB 3.41Å; E209-A213 PolarHBondContact O-N 3.49Å; F211-A213 PolarHBondContact O-N 3.33Å; A213-V216 PolarHBondContact O-N 3.42Å; A213-A217 WeakPolarHBondContact O-CB 3.25Å; A213-A217 PolarHBondContact O-N 3.1Å
214	A	98.1	Very high	95.7	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-43.6	176.3	0	0	0	0	0	112.1	I119 L121 V210 F211 D212 V216 A217 S218	I119-A214 HydrophobicContact CD1-CB 4.08Å; I119-A214 WeakPolarHBondContact CD1-O 3.28Å; I119-A214 HydrophobicContact CG1-CB 4.34Å; I119-A214 HydrophobicContact CG2-CB 4.22Å; L121-A214 HydrophobicContact CD2-CB 3.79Å; L121-A214 HydrophobicContact CG-CB 4.49Å; V210-A214 PolarHBondContact O-N 2.98Å; F211-A214 PolarHBondContact O-N 3.23Å; D212-A214 VanDerWaalsContact C-N 3.31Å; D212-A214 PolarHBondContact O-N 3.4Å; A214-V216 PolarHBondContact O-N 2.97Å; A214-A217 PolarHBondContact O-N 3.14Å; A214-S218 VanDerWaalsContact O-CB 3.23Å; A214-S218 WeakPolarHBondContact O-CB 3.47Å; A214-S218 PolarHBondContact O-N 3.21Å
215	I	97.2	Very high	95.3	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-46.8	178	-65.4	153.8	0	0	0	110.5	V86 V88 V93 L95 F211 D212 S218 I219	V86-I215 HydrophobicContact CB-CD1 4.46Å; V86-I215 HydrophobicContact CG2-CD1 3.7Å; V88-I215 HydrophobicContact CG2-CG2 3.61Å; V93-I215 HydrophobicContact CG1-CG2 4.36Å; L95-I215 HydrophobicContact CD1-CG1 4.06Å; L95-I215 HydrophobicContact CD2-CD1 4.19Å; L95-I215 HydrophobicContact CD2-CG1 4.46Å; F211-I215 VanDerWaalsContact O-CD1 3.27Å; F211-I215 WeakPolarHBondContact O-CD1 3.47Å; F211-I215 WeakPolarHBondContact O-CG1 3.15Å; F211-I215 PolarHBondContact O-N 3.13Å; D212-I215 PolarHBondContact O-N 2.92Å; I215-S218 PolarHBondContact O-N 3.18Å; I215-I219 HydrophobicContact CG2-CD1 3.85Å; I215-I219 WeakPolarHBondContact O-CG1 3.14Å; I215-I219 PolarHBondContact O-N 2.88Å
216	V	96.2	Very high	94.6	Very high	59 Å²	59	47 Å²	47	36%	0.358	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-47.9	179.6	171	0	0	0	0	110.8	D212 A213 A214 S218 I219 Q220	D212-V216 WeakPolarHBondContact O-CB 3.45Å; D212-V216 VanDerWaalsContact O-CG2 3.31Å; D212-V216 WeakPolarHBondContact O-CG2 3.31Å; D212-V216 PolarHBondContact O-N 2.94Å; A213-V216 PolarHBondContact O-N 3.42Å; A214-V216 PolarHBondContact O-N 2.97Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 3.27Å; V216-I219 PolarHBondContact O-N 3.07Å; V216-Q220 HydrophobicContact CG1-CG 4.32Å; V216-Q220 WeakPolarHBondContact O-CB 3.41Å; V216-Q220 VanDerWaalsContact O-CG 3.32Å; V216-Q220 WeakPolarHBondContact O-CG 3.47Å; V216-Q220 PolarHBondContact O-N 2.83Å
217	A	97.1	Very high	93.7	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-41.3	178.7	0	0	0	0	0	112.3	I119 V194 A213 A214 H221	I119-A217 HydrophobicContact CD1-CB 3.57Å; V194-A217 HydrophobicContact CB-CB 4.37Å; V194-A217 HydrophobicContact CG1-CB 3.81Å; V194-A217 HydrophobicContact CG2-CB 4.28Å; A213-A217 WeakPolarHBondContact O-CB 3.25Å; A213-A217 PolarHBondContact O-N 3.1Å; A214-A217 PolarHBondContact O-N 3.14Å; A217-H221 VanDerWaalsContact O-CB 3.25Å; A217-H221 WeakPolarHBondContact O-CB 3.45Å; A217-H221 PolarHBondContact O-N 2.63Å
218	S	96.9	Very high	92.9	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-48.2	174.8	170.9	0	0	0	0	111.8	D118 A214 I215 V216 H221 S222	D118-S218 VanDerWaalsContact CB-OG 3.25Å; D118-S218 WeakPolarHBondContact CB-OG 3.32Å; A214-S218 VanDerWaalsContact O-CB 3.23Å; A214-S218 WeakPolarHBondContact O-CB 3.47Å; A214-S218 PolarHBondContact O-N 3.21Å; I215-S218 PolarHBondContact O-N 3.18Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 3.27Å; S218-H221 PolarHBondContact O-N 3.49Å; S218-S222 WeakPolarHBondContact O-CB 3.45Å; S218-S222 PolarHBondContact O-N 2.99Å; S218-S222 PolarHBondContact O-OG 3.08Å
219	I	94.5	Very high	92.2	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.087	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-49.6	179.3	-71.5	167.4	0	0	0	110.5	V46 V88 V93 I215 V216 H221 S222 D223	V46-I219 HydrophobicContact CG2-CG1 4.44Å; V88-I219 HydrophobicContact CG1-CD1 4.19Å; V93-I219 HydrophobicContact CG2-CD1 4.41Å; I215-I219 HydrophobicContact CG2-CD1 3.85Å; I215-I219 WeakPolarHBondContact O-CG1 3.14Å; I215-I219 PolarHBondContact O-N 2.88Å; V216-I219 PolarHBondContact O-N 3.07Å; I219-H221 VanDerWaalsContact C-N 3.31Å; I219-H221 PolarHBondContact O-N 3.19Å; I219-S222 PolarHBondContact O-N 3.44Å; I219-S222 VanDerWaalsContact O-N 3.17Å; I219-S222 PolarHBondContact O-OG 2.65Å; I219-D223 PolarHBondContact O-N 2.8Å
220	Q	93.9	Very high	91	Very high	118 Å²	118	56.8 Å²	56.8	55%	0.551	29%	0.288	S	S	*	.	H	α-helix	trans	-60.5	-40.9	179.4	-71.7	174.9	-7.8	0	0	112.3	V216 S224	V216-Q220 HydrophobicContact CG1-CG 4.32Å; V216-Q220 WeakPolarHBondContact O-CB 3.41Å; V216-Q220 VanDerWaalsContact O-CG 3.32Å; V216-Q220 WeakPolarHBondContact O-CG 3.47Å; V216-Q220 PolarHBondContact O-N 2.83Å; Q220-S224 WeakPolarHBondContact O-CB 3.36Å; Q220-S224 PolarHBondContact O-N 2.76Å; Q220-S224 PolarHBondContact O-OG 3.19Å
221	H	94.4	Very high	89.8	Confident	56 Å²	56	63.9 Å²	63.9	26%	0.259	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-46.5	175.2	-178.9	-103.9	0	0	0	111.1	Q149 P151 A217 S218 I219 D223 S224 Q225	Q149-H221 PolarHBondContact O-CE1 2.96Å; Q149-H221 PolarHBondContact O-NE2 3.23Å; P151-H221 HydrophobicContact CG-CB 4.07Å; A217-H221 VanDerWaalsContact O-CB 3.25Å; A217-H221 WeakPolarHBondContact O-CB 3.45Å; A217-H221 PolarHBondContact O-N 2.63Å; S218-H221 PolarHBondContact O-N 3.49Å; I219-H221 VanDerWaalsContact C-N 3.31Å; I219-H221 PolarHBondContact O-N 3.19Å; H221-D223 PolarHBondContact O-N 3.27Å; H221-S224 PolarHBondContact O-N 3.4Å; H221-Q225 PolarHBondContact NE2-NE2 3.22Å; H221-Q225 VanDerWaalsContact NE2-NE2 3.16Å; H221-Q225 VanDerWaalsContact O-CG 3.31Å; H221-Q225 WeakPolarHBondContact O-CG 3.23Å; H221-Q225 PolarHBondContact O-N 2.99Å
222	S	92	Very high	88.1	Confident	51 Å²	51	70.7 Å²	70.7	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-43.9	179.3	74.7	0	0	0	0	113	S218 I219 S224 Q225 Q226	S218-S222 WeakPolarHBondContact O-CB 3.45Å; S218-S222 PolarHBondContact O-N 2.99Å; S218-S222 PolarHBondContact O-OG 3.08Å; I219-S222 PolarHBondContact O-N 3.44Å; I219-S222 VanDerWaalsContact O-N 3.17Å; I219-S222 PolarHBondContact O-OG 2.65Å; S222-S224 VanDerWaalsContact C-N 3.35Å; S222-S224 PolarHBondContact O-N 2.72Å; S222-Q225 PolarHBondContact O-N 2.81Å; S222-Q226 PolarHBondContact O-N 2.83Å
223	D	90.6	Very high	86.3	Confident	52 Å²	52	78 Å²	78	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-40	179.1	-73.6	-18.5	0	0	0	110.3	R44 I219 H221 Q226 Q227	R44-D223 IonicContact NH2-OD1 3Å; R44-D223 PolarHBondContact NH2-OD1 2.73Å; R44-D223 IonicContact NH2-OD2 3.15Å; R44-D223 PolarHBondContact NH2-OD2 2.72Å; R44-D223 VanDerWaalsContact NH2-OD2 3.07Å; I219-D223 PolarHBondContact O-N 2.8Å; H221-D223 PolarHBondContact O-N 3.27Å; D223-Q226 PolarHBondContact O-N 3.5Å; D223-Q227 WeakPolarHBondContact O-CG 3.49Å; D223-Q227 PolarHBondContact O-N 3.02Å
224	S	89.9	Confident	84.2	Confident	69 Å²	69	82.1 Å²	82.1	48%	0.483	39%	0.394	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176.2	-61.3	0	0	0	0	112.6	Q220 H221 S222 Q226 Q227 H228	Q220-S224 WeakPolarHBondContact O-CB 3.36Å; Q220-S224 PolarHBondContact O-N 2.76Å; Q220-S224 PolarHBondContact O-OG 3.19Å; H221-S224 PolarHBondContact O-N 3.4Å; S222-S224 VanDerWaalsContact C-N 3.35Å; S222-S224 PolarHBondContact O-N 2.72Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; S224-Q226 PolarHBondContact O-N 2.92Å; S224-Q227 PolarHBondContact O-N 2.97Å; S224-H228 PolarHBondContact O-N 3.4Å
225	Q	86.1	Confident	82.1	Confident	64 Å²	64	86.2 Å²	86.2	30%	0.299	42%	0.421	S	S	.	.	H	α-helix	trans	-64.7	-39	176.9	-68.1	-63.4	-19.8	0	0	111.8	H221 S222 H228 R229	H221-Q225 PolarHBondContact NE2-NE2 3.22Å; H221-Q225 VanDerWaalsContact NE2-NE2 3.16Å; H221-Q225 VanDerWaalsContact O-CG 3.31Å; H221-Q225 WeakPolarHBondContact O-CG 3.23Å; H221-Q225 PolarHBondContact O-N 2.99Å; S222-Q225 PolarHBondContact O-N 2.81Å; Q225-H228 PolarHBondContact O-N 3.48Å; Q225-R229 WeakPolarHBondContact O-CB 3.23Å; Q225-R229 WeakPolarHBondContact O-CG 3.28Å; Q225-R229 PolarHBondContact O-N 3.28Å
226	Q	83.1	Confident	80	Confident	118 Å²	118	91.1 Å²	91.1	55%	0.551	45%	0.447	S	S	*	.	H	α-helix	trans	-65.3	-44.8	177.5	-171.8	173.9	4.8	0	0	111.7	S222 D223 S224 H228 R229 L230	S222-Q226 PolarHBondContact O-N 2.83Å; D223-Q226 PolarHBondContact O-N 3.5Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; S224-Q226 PolarHBondContact O-N 2.92Å; Q226-H228 VanDerWaalsContact C-N 3.35Å; Q226-H228 PolarHBondContact O-N 3.49Å; Q226-R229 PolarHBondContact O-N 3.4Å; Q226-L230 HydrophobicContact CG-CD1 4.21Å; Q226-L230 WeakPolarHBondContact O-CG 3.48Å; Q226-L230 PolarHBondContact O-N 2.96Å
227	Q	79.9	Confident	77.6	Confident	114 Å²	114	97.5 Å²	97.5	53%	0.533	47%	0.47	S	S	.	.	H	α-helix	trans	-61.1	-43.1	176.2	-71.3	-179.5	16.2	0	0	112.1	D223 S224 L230 K231	D223-Q227 WeakPolarHBondContact O-CG 3.49Å; D223-Q227 PolarHBondContact O-N 3.02Å; S224-Q227 PolarHBondContact O-N 2.97Å; Q227-L230 PolarHBondContact O-N 2.92Å; Q227-K231 WeakPolarHBondContact O-CG 3.47Å; Q227-K231 PolarHBondContact O-N 3Å
228	H	78.6	Confident	75.3	Confident	91 Å²	91	105.6 Å²	105.6	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-39.8	177.7	-177.7	-117.7	0	0	0	112.2	S224 Q225 Q226 K231 K232	S224-H228 PolarHBondContact O-N 3.4Å; Q225-H228 PolarHBondContact O-N 3.48Å; Q226-H228 VanDerWaalsContact C-N 3.35Å; Q226-H228 PolarHBondContact O-N 3.49Å; H228-K231 PolarHBondContact O-N 2.99Å; H228-K232 WeakPolarHBondContact CE1-CE 3.45Å; H228-K232 PolarHBondContact CE1-NZ 2.95Å; H228-K232 VanDerWaalsContact NE2-CE 3.26Å; H228-K232 WeakPolarHBondContact NE2-CE 3.22Å; H228-K232 WeakPolarHBondContact O-CB 2.97Å; H228-K232 WeakPolarHBondContact O-CG 3.32Å; H228-K232 PolarHBondContact O-N 2.95Å
229	R	79.6	Confident	73	Confident	182 Å²	182	114 Å²	114	69%	0.687	54%	0.544	S	S	*	.	H	α-helix	trans	-61.8	-42.9	172.4	-79.4	-179.4	163.1	-165.4	-3.6	112.4	Q225 Q226 K232 R233	Q225-R229 WeakPolarHBondContact O-CB 3.23Å; Q225-R229 WeakPolarHBondContact O-CG 3.28Å; Q225-R229 PolarHBondContact O-N 3.28Å; Q226-R229 PolarHBondContact O-N 3.4Å; R229-K232 PolarHBondContact O-N 3.03Å; R229-R233 WeakPolarHBondContact O-CB 3.32Å; R229-R233 WeakPolarHBondContact O-CG 3.5Å; R229-R233 PolarHBondContact O-N 3.43Å
230	L	74.1	Confident	70.6	Confident	101 Å²	101	122.2 Å²	122.2	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-64.6	-43.9	177.5	-71.7	168.2	0	0	0	111.7	Q226 Q227 K232 R233 T234	Q226-L230 HydrophobicContact CG-CD1 4.21Å; Q226-L230 WeakPolarHBondContact O-CG 3.48Å; Q226-L230 PolarHBondContact O-N 2.96Å; Q227-L230 PolarHBondContact O-N 2.92Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.26Å; L230-R233 PolarHBondContact O-N 3.3Å; L230-T234 PolarHBondContact O-N 3.41Å
231	K	71.5	Confident	68.5	Low	148 Å²	148	121.4 Å²	121.4	64%	0.643	58%	0.579	S	S	*	*	H	α-helix	trans	-63.5	-33.8	175	-71.7	175.9	-178.4	176.6	0	112.9	Q227 H228 T234	Q227-K231 WeakPolarHBondContact O-CG 3.47Å; Q227-K231 PolarHBondContact O-N 3Å; H228-K231 PolarHBondContact O-N 2.99Å; K231-T234 PolarHBondContact O-OG1 3.24Å
232	K	63.9	Low	66.4	Low	144 Å²	144	122.3 Å²	122.3	63%	0.626	59%	0.591	S	S	*	*	H	α-helix	trans	-75.1	-28.8	173.4	-76.6	-174.9	168.4	-177.8	0	113.5	H228 R229 L230 T234	H228-K232 WeakPolarHBondContact CE1-CE 3.45Å; H228-K232 PolarHBondContact CE1-NZ 2.95Å; H228-K232 VanDerWaalsContact NE2-CE 3.26Å; H228-K232 WeakPolarHBondContact NE2-CE 3.22Å; H228-K232 WeakPolarHBondContact O-CB 2.97Å; H228-K232 WeakPolarHBondContact O-CG 3.32Å; H228-K232 PolarHBondContact O-N 2.95Å; R229-K232 PolarHBondContact O-N 3.03Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.26Å; K232-T234 PolarHBondContact O-N 3.05Å
233	R	57.4	Low	64.5	Low	210 Å²	210	131.1 Å²	131.1	79%	0.792	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-1.2	173.7	-74	179.3	104.7	177.2	6.9	114	R229 L230 P235	R229-R233 WeakPolarHBondContact O-CB 3.32Å; R229-R233 WeakPolarHBondContact O-CG 3.5Å; R229-R233 PolarHBondContact O-N 3.43Å; L230-R233 PolarHBondContact O-N 3.3Å; R233-P235 WeakPolarHBondContact O-CD 3.29Å
234	T	52.4	Low	62.6	Low	114 Å²	114	133.2 Å²	133.2	70%	0.699	64%	0.635	S	S	*	*			trans	-91.9	79.7	158.4	28.6	0	0	0	0	111.6	L230 K231 K232	L230-T234 PolarHBondContact O-N 3.41Å; K231-T234 PolarHBondContact O-OG1 3.24Å; K232-T234 PolarHBondContact O-N 3.05Å
235	P	54.4	Low	60.7	Low	89 Å²	89	132.7 Å²	132.7	58%	0.578	63%	0.631	S	S	*	*			trans	-96.4	133.2	160.3	34.1	-28.3	0	0	0	111.3	R233 K237	R233-P235 WeakPolarHBondContact O-CD 3.29Å; P235-K237 PolarHBondContact O-N 3.34Å
236	D	52.9	Low	58.4	Low	106 Å²	106	139.5 Å²	139.5	57%	0.567	65%	0.654	S	S	*	*	S	Bend	trans	60.6	-4.6	146	-80.3	-29.8	0	0	0	123.2	M238 K239 K240	D236-M238 PolarHBondContact O-N 3.23Å; D236-K239 PolarHBondContact O-N 2.95Å; D236-K239 VanDerWaalsContact O-N 3.13Å; D236-K239 WeakPolarHBondContact OD1-CB 3.47Å; D236-K239 WeakPolarHBondContact OD1-CD 3.49Å; D236-K240 PolarHBondContact O-N 2.76Å
237	K	45.5	Very low	56.4	Low	192 Å²	192	142.6 Å²	142.6	84%	0.835	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-19.2	172.4	-83.5	-166.4	177.5	-176.3	0	114	P235	P235-K237 PolarHBondContact O-N 3.34Å
238	M	49.4	Very low	54.9	Low	177 Å²	177	146 Å²	146	87%	0.872	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-15.3	172.4	-78	173.3	69.4	0	0	114.4	D236	D236-M238 PolarHBondContact O-N 3.23Å
239	K	49	Very low	53.2	Low	180 Å²	180	151.5 Å²	151.5	78%	0.783	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-12.2	176.1	-73.3	-176.8	179.1	178.4	0	113.5	D236	D236-K239 PolarHBondContact O-N 2.95Å; D236-K239 VanDerWaalsContact O-N 3.13Å; D236-K239 WeakPolarHBondContact OD1-CB 3.47Å; D236-K239 WeakPolarHBondContact OD1-CD 3.49Å
240	K	44.7	Very low	51.7	Low	191 Å²	191	148.3 Å²	148.3	83%	0.83	70%	0.701	S	S	*	*	S	Bend	trans	-100.1	7.6	170.4	-96.9	-173.9	-179.8	-179.8	0	115.4	D236 S242	D236-K240 PolarHBondContact O-N 2.76Å; K240-S242 VanDerWaalsContact C-N 3.32Å; K240-S242 PolarHBondContact O-N 3.31Å
241	L	48.7	Very low	50.4	Low	101 Å²	101	148.7 Å²	148.7	53%	0.529	71%	0.711	S	S	.	*	S	Bend	trans	-85.2	88.4	157.9	-76.5	165	0	0	0	107.4	C245	L241-C245 HydrophobicContact CD2-CB 4.2Å
242	S	51.5	Low	49.1	Very low	74 Å²	74	148.9 Å²	148.9	52%	0.517	72%	0.724	S	S	.	*			trans	-37.2	144	169.4	164.7	0	0	0	0	111.5	K240 S244 C245	K240-S242 VanDerWaalsContact C-N 3.32Å; K240-S242 PolarHBondContact O-N 3.31Å; S242-S244 PolarHBondContact O-N 3.05Å; S242-S244 PolarHBondContact OG-N 3.38Å; S242-S244 VanDerWaalsContact OG-N 3.16Å; S242-C245 PolarHBondContact O-N 3.17Å
243	R	51.1	Low	47.7	Very low	237 Å²	237	150.2 Å²	150.2	89%	0.894	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.8	-14.1	170.1	-70.9	176.9	171	172.2	-4.6	113.7
244	S	51.2	Low	47.2	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-19.6	171.9	-71.8	0	0	0	0	115.2	S242	S242-S244 PolarHBondContact O-N 3.05Å; S242-S244 PolarHBondContact OG-N 3.38Å; S242-S244 VanDerWaalsContact OG-N 3.16Å
245	C	49.3	Very low	47	Very low	58 Å²	58	149 Å²	149	39%	0.392	76%	0.764	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	-18.6	177.4	-163.3	0	0	0	0	113	L241 S242	L241-C245 HydrophobicContact CD2-CB 4.2Å; S242-C245 PolarHBondContact O-N 3.17Å
246	W	38.3	Very low	46.6	Very low	206 Å²	206	152.3 Å²	152.3	78%	0.78	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-80.2	-22.5	179.4	-75.6	47.7	0	0	0	112.7	K248	W246-K248 VanDerWaalsContact C-N 3.34Å; W246-K248 PolarHBondContact O-N 2.72Å
247	K	41.4	Very low	46.2	Very low	183 Å²	183	155.1 Å²	155.1	80%	0.796	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-84	1.5	175.6	-95.5	-176.9	176.4	-177.5	0	115
248	K	47.3	Very low	46.2	Very low	186 Å²	186	152.8 Å²	152.8	81%	0.809	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-108.1	-1.7	174.9	-96.2	-174.2	178.2	-179.8	0	115.2	W246	W246-K248 VanDerWaalsContact C-N 3.34Å; W246-K248 PolarHBondContact O-N 2.72Å
249	Y	44.3	Very low	46	Very low	207 Å²	207	151.1 Å²	151.1	81%	0.812	78%	0.778	S	S	*	*	S	Bend	trans	-118.6	9	179	-95.3	-83.6	0	0	0	115.2
250	C	47.3	Very low	45.8	Very low	114 Å²	114	149.1 Å²	149.1	77%	0.77	78%	0.778	S	S	*	*	S	Bend	trans	-126.8	30.6	172.4	-65.7	0	0	0	0	113.3
251	C	48.1	Very low	45.9	Very low	110 Å²	110	145.8 Å²	145.8	74%	0.743	77%	0.774	S	S	*	*	S	Bend	trans	-136.6	58.3	169.3	-62.3	0	0	0	0	111
252	V	43	Very low	45.7	Very low	151 Å²	151	149.6 Å²	149.6	92%	0.915	79%	0.794	S	S	*	*			trans	-155.7	89.6	143	-173.8	0	0	0	0	107.3
253	A	35.1	Very low	45.1	Very low	173 Å²	173	156.5 Å²	156.5	100%	1.43	82%	0.819	S	S	*	*			trans	175.3	0	140	0	0	0	0	0	106.7

Retrieved 253 of 253 residues in 64.8 ms (Link to these results)

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