A0A087YG70_POEFO Loading...

Discoidin, CUB and LCCL domain containing 2

AlphaFold DB , UniProt , Accession A0A087YG70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 687 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	34.8	Very low	29.8	Very low	257 Å²	257	147.8 Å²	147.8	100%	1.266	85%	0.848	S	S	*	*				0	122.5	0	-65.9	158.6	165.7	0	0	107.3
2	G	33.4	Very low	29.9	Very low	70 Å²	70	148.4 Å²	148.4	72%	0.722	86%	0.857	S	S	*	*			cis	-178	143.1	-11.7	0	0	0	0	0	111.2
3	R	28.9	Very low	29.9	Very low	249 Å²	249	143.4 Å²	143.4	94%	0.94	86%	0.857	S	S	*	*			trans	64.2	125.1	175.4	-62.7	179.6	168.5	174.6	-4.6	115.6
4	A	26.6	Very low	30.2	Very low	91 Å²	91	141.2 Å²	141.2	75%	0.752	86%	0.862	S	S	*	*			cis	65.4	133	47.5	0	0	0	0	0	112
5	V	26.8	Very low	30.1	Very low	132 Å²	132	136.5 Å²	136.5	80%	0.8	85%	0.854	S	S	*	*			cis	-151.7	166.3	47.8	164.8	0	0	0	0	112.9
6	M	25.6	Very low	30.4	Very low	170 Å²	170	136.6 Å²	136.6	84%	0.837	85%	0.852	S	S	*	*			trans	-44.9	168.9	171.4	-53.5	-169.4	-68.2	0	0	116.1
7	V	27.3	Very low	30.6	Very low	140 Å²	140	140.7 Å²	140.7	85%	0.848	86%	0.855	S	S	*	*				-169.2	154.2	60.9	171.9	0	0	0	0	107.5
8	G	26	Very low	30.7	Very low	64 Å²	64	139.3 Å²	139.3	66%	0.66	85%	0.847	S	S	*	*			cis	171.2	-172.7	0.5	0	0	0	0	0	111.2
9	R	28.8	Very low	30.9	Very low	260 Å²	260	141.6 Å²	141.6	98%	0.981	85%	0.853	S	S	*	*			trans	-4.3	142.5	169.3	-71.2	170.1	163	157.8	-6.9	118.8
10	G	28.5	Very low	31.4	Very low	71 Å²	71	139.7 Å²	139.7	73%	0.732	85%	0.846	S	S	*	*			cis	177.1	-173.1	13.5	0	0	0	0	0	111.9
11	P	41.4	Very low	31.6	Very low	122 Å²	122	138.6 Å²	138.6	79%	0.792	84%	0.839	S	S	*	*			trans	-109.2	142.9	-155.9	37.9	-32.1	0	0	0	116.2
12	T	30.6	Very low	31.6	Very low	155 Å²	155	133.4 Å²	133.4	95%	0.951	82%	0.816	S	S	*	*			trans	-161.5	130.9	148.9	41.2	0	0	0	0	109.8
13	G	29.7	Very low	31.6	Very low	83 Å²	83	136.6 Å²	136.6	86%	0.856	82%	0.815	S	S	*	*			trans	174.9	18	179.8	0	0	0	0	0	117.3
14	A	34.5	Very low	31.9	Very low	113 Å²	113	130.3 Å²	130.3	93%	0.934	80%	0.804	S	S	*	*			trans	-84.9	111	169.6	0	0	0	0	0	108.7
15	G	28.1	Very low	32.2	Very low	71 Å²	71	134 Å²	134	73%	0.732	80%	0.803	S	S	*	*			trans	-172.8	34.8	-168.7	0	0	0	0	0	118.2
16	V	34.9	Very low	32.6	Very low	138 Å²	138	133.8 Å²	133.8	84%	0.836	80%	0.803	S	S	*	*			trans	-141.9	77.3	161.5	-167.9	0	0	0	0	111
17	F	33.6	Very low	32.9	Very low	206 Å²	206	129.8 Å²	129.8	90%	0.904	80%	0.797	S	S	*	*			trans	-146.6	154.2	154.2	-100.3	-80.7	0	0	0	108.1
18	V	33.8	Very low	33.3	Very low	115 Å²	115	132.5 Å²	132.5	70%	0.697	80%	0.797	S	S	*	*			trans	77.1	80.8	-169.4	-164.1	0	0	0	0	114.2
19	L	33.6	Very low	33.6	Very low	183 Å²	183	131.8 Å²	131.8	96%	0.958	79%	0.79	S	S	*	*			trans	-123.3	66.6	148.6	-157.7	87.1	0	0	0	109.6
20	S	41.6	Very low	34.1	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	79%	0.785	S	S	*	*			trans	-139.1	54.7	178.9	48.5	0	0	0	0	110.7
21	V	34.3	Very low	35.3	Very low	116 Å²	116	133 Å²	133	70%	0.703	79%	0.791	S	S	*	*			trans	-120.3	107	169.4	178.7	0	0	0	0	109.2	I23	V21-I23 PolarHBondContact O-N 3.39Å
22	L	34.5	Very low	36.4	Very low	149 Å²	149	127.5 Å²	127.5	78%	0.78	76%	0.756	S	S	*	*			trans	27.4	84.7	143.6	-72.7	156.9	0	0	0	115.5	V24	L22-V24 HydrophobicContact CB-CG2 4.33Å; L22-V24 PolarHBondContact O-N 3.15Å
23	I	33.6	Very low	38.7	Very low	137 Å²	137	124 Å²	124	70%	0.703	73%	0.729	S	S	*	*			trans	-65.4	82.8	148	-57.9	177.9	0	0	0	106.8	V21 F25	V21-I23 PolarHBondContact O-N 3.39Å; I23-F25 HydrophobicContact CG2-CB 4.03Å; I23-F25 HydrophobicContact CG2-CD1 4.25Å; I23-F25 HydrophobicContact CG2-CD2 3.16Å; I23-F25 HydrophobicContact CG2-CE2 3.52Å; I23-F25 HydrophobicContact CG2-CG 3.54Å; I23-F25 HydrophobicContact CG2-CZ 4.19Å; I23-F25 PolarHBondContact O-N 3.26Å
24	V	35.3	Very low	41.4	Very low	117 Å²	117	127.7 Å²	127.7	71%	0.709	72%	0.721	S	S	*	*			trans	-70.7	74.8	151.7	-176.1	0	0	0	0	105.3	L22 T26	L22-V24 HydrophobicContact CB-CG2 4.33Å; L22-V24 PolarHBondContact O-N 3.15Å; V24-T26 PolarHBondContact O-N 3.47Å; V24-T26 VanDerWaalsContact O-N 3.13Å
25	F	33.4	Very low	43.7	Very low	167 Å²	167	124.6 Å²	124.6	73%	0.732	70%	0.701	S	S	*	*			trans	-55.2	124.1	157.1	-96.6	-53.3	0	0	0	105	I23 A27	I23-F25 HydrophobicContact CG2-CB 4.03Å; I23-F25 HydrophobicContact CG2-CD1 4.25Å; I23-F25 HydrophobicContact CG2-CD2 3.16Å; I23-F25 HydrophobicContact CG2-CE2 3.52Å; I23-F25 HydrophobicContact CG2-CG 3.54Å; I23-F25 HydrophobicContact CG2-CZ 4.19Å; I23-F25 PolarHBondContact O-N 3.26Å; F25-A27 PolarHBondContact O-N 3.23Å
26	T	34.8	Very low	46.2	Very low	129 Å²	129	126 Å²	126	79%	0.791	69%	0.691	S	S	*	*			trans	-64.1	74.8	153.3	43.5	0	0	0	0	107.4	V24 K28	V24-T26 PolarHBondContact O-N 3.47Å; V24-T26 VanDerWaalsContact O-N 3.13Å; T26-K28 PolarHBondContact O-N 3.36Å
27	A	32.2	Very low	48.3	Very low	85 Å²	85	119.4 Å²	119.4	70%	0.702	65%	0.652	S	S	*	*			trans	-56.3	88.1	145.6	0	0	0	0	0	106	F25 G29	F25-A27 PolarHBondContact O-N 3.23Å; A27-G29 PolarHBondContact O-N 3.28Å
28	K	35.3	Very low	51	Low	197 Å²	197	110.2 Å²	110.2	86%	0.857	61%	0.612	S	S	*	*				-55.1	75.8	126.5	-78.2	-179.9	173.3	176.3	0	106.1	T26 C30	T26-K28 PolarHBondContact O-N 3.36Å; K28-C30 PolarHBondContact O-N 3.35Å
29	G	31.9	Very low	53.6	Low	49 Å²	49	104.9 Å²	104.9	51%	0.505	58%	0.581	S	S	.	*			trans	-52	133.2	155.1	0	0	0	0	0	105.2	A27 R31	A27-G29 PolarHBondContact O-N 3.28Å; G29-R31 PolarHBondContact O-N 3.25Å
30	C	40.8	Very low	56.3	Low	130 Å²	130	99.5 Å²	99.5	88%	0.878	56%	0.557	S	S	*	*			trans	-52.5	107.2	-177.8	-62	0	0	0	0	108.1	K28 G32	K28-C30 PolarHBondContact O-N 3.35Å; C30-G32 PolarHBondContact O-N 3.38Å
31	R	52.7	Low	58.7	Low	228 Å²	228	96.2 Å²	96.2	86%	0.86	53%	0.534	S	S	*	.			trans	-73.5	68.6	170.9	-85	-167.7	173.6	-163.6	-0.1	107.5	G29	G29-R31 PolarHBondContact O-N 3.25Å
32	G	64.1	Low	61.4	Low	6 Å²	6	92.4 Å²	92.4	6%	0.062	51%	0.511	C	S	.	.			trans	-102.5	-3.3	173.4	0	0	0	0	0	112.5	C30 L43 W67 E68	C30-G32 PolarHBondContact O-N 3.38Å; G32-L43 VanDerWaalsContact C-CD1 3.49Å; G32-L43 WeakPolarHBondContact O-CD1 3.31Å; G32-W67 CarbonylContact O-C 3.4Å; G32-W67 WeakPolarHBondContact O-CA 3.35Å; G32-W67 WeakPolarHBondContact O-CB 3.3Å; G32-E68 PolarHBondContact O-N 3.33Å
33	Q	80.4	Confident	64.2	Low	80 Å²	80	88.4 Å²	88.4	37%	0.374	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138	178.7	-177.2	175.1	-56.2	0	0	109.8	C38 S41 E66	Q33-C38 VanDerWaalsContact CD-CB 3.44Å; Q33-C38 HydrophobicContact CG-CB 3.83Å; Q33-C38 VanDerWaalsContact CG-SG 3.53Å; Q33-S41 PolarHBondContact OE1-OG 3.35Å; Q33-E66 CarbonylContact C-O 3.56Å; Q33-E66 WeakPolarHBondContact CA-O 3.41Å
34	K	85.4	Confident	66.9	Low	161 Å²	161	82.4 Å²	82.4	70%	0.7	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.3	125.9	176.4	179.4	-169.6	172.8	-163.7	0	109.6	C65 E66	K34-C65 CarbonylContact O-C 3.58Å; K34-C65 WeakPolarHBondContact O-CA 3.28Å; K34-E66 PolarHBondContact N-O 2.84Å; K34-E66 PolarHBondContact O-N 2.98Å
35	G	84.2	Confident	69.5	Low	49 Å²	49	79.5 Å²	79.5	51%	0.505	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.2	179.6	179.7	0	0	0	0	0	113.5	V64	G35-V64 WeakPolarHBondContact CA-O 3.33Å
36	D	80.5	Confident	72.3	Confident	100 Å²	100	73.1 Å²	73.1	54%	0.535	42%	0.422	S	S	.	.	S	Bend	trans	-109.2	-30.8	-179.6	44.3	18.9	0	0	0	113.2	C38 T63 V64	D36-C38 PolarHBondContact O-N 2.89Å; D36-T63 WeakPolarHBondContact OD1-CA 3.16Å; D36-T63 WeakPolarHBondContact OD1-CB 3.33Å; D36-V64 PolarHBondContact N-O 2.87Å; D36-V64 PolarHBondContact OD1-N 3.36Å
37	G	79	Confident	75.2	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.384	C	S	.	.	S	Bend	trans	-79.9	10.1	175.3	0	0	0	0	0	115.9	L53	G37-L53 PolarHBondContact O-N 2.97Å
38	C	89.6	Confident	78.2	Confident	12 Å²	12	63 Å²	63	8%	0.081	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-78.7	122.2	-174.9	-51.3	0	0	0	0	111.6	Q33 D36 C65 W67	Q33-C38 VanDerWaalsContact CD-CB 3.44Å; Q33-C38 HydrophobicContact CG-CB 3.83Å; Q33-C38 VanDerWaalsContact CG-SG 3.53Å; D36-C38 PolarHBondContact O-N 2.89Å; C38-C65 WeakPolarHBondContact CA-SG 3.47Å; C38-C65 HydrophobicContact CB-CB 3.96Å; C38-C65 WeakPolarHBondContact CB-SG 3.37Å; C38-C65 WeakPolarHBondContact SG-CB 3.24Å; C38-C65 CovalentContact SG-SG 2.02Å; C38-C65 PolarHBondContact SG-SG 3.41Å; C38-W67 HydrophobicContact CB-CZ2 3.91Å
39	G	88.6	Confident	81.1	Confident	4 Å²	4	53.6 Å²	53.6	4%	0.041	31%	0.31	C	S	.	.			trans	-78.4	-176.8	171.7	0	0	0	0	0	113.5	S41 S51 S52	G39-S41 PolarHBondContact O-N 3.49Å; G39-S51 VanDerWaalsContact CA-O 3.24Å; G39-S51 WeakPolarHBondContact CA-O 3.27Å; G39-S51 PolarHBondContact N-O 2.92Å; G39-S52 VanDerWaalsContact CA-C 3.46Å; G39-S52 WeakPolarHBondContact CA-O 3.2Å
40	P	89.4	Confident	84.1	Confident	69 Å²	69	51.2 Å²	51.2	45%	0.448	29%	0.286	S	S	.	.	S	Bend	trans	-53.7	125.4	169.1	-24.8	35	0	0	0	111.2	S51 T182	P40-S51 PolarHBondContact O-OG 3.4Å; P40-T182 HydrophobicContact CB-CG2 3.52Å
41	S	92.1	Very high	86.6	Confident	35 Å²	35	45.2 Å²	45.2	25%	0.245	25%	0.245	C	C	.	.			trans	-133.6	151.3	179.3	74.9	0	0	0	0	111.7	Q33 G39 T49	Q33-S41 PolarHBondContact OE1-OG 3.35Å; G39-S41 PolarHBondContact O-N 3.49Å; S41-T49 VanDerWaalsContact CA-O 3.32Å; S41-T49 WeakPolarHBondContact CA-O 3.35Å
42	V	92.4	Very high	88.5	Confident	37 Å²	37	34.3 Å²	34.3	22%	0.224	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.2	171.6	175.7	0	0	0	0	108.5	G48 T49 A178 G179	V42-G48 WeakPolarHBondContact O-CA 3.31Å; V42-T49 PolarHBondContact N-O 3.26Å; V42-T49 PolarHBondContact O-N 3.42Å; V42-T49 VanDerWaalsContact O-N 3.16Å; V42-A178 HydrophobicContact CG1-CB 3.92Å; V42-G179 VanDerWaalsContact CG2-CA 3.47Å
43	L	92.9	Very high	89.7	Confident	65 Å²	65	36.9 Å²	36.9	34%	0.34	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	79.8	-176.2	-60.5	178.5	0	0	0	110.3	G32 L50 I69 Y149	G32-L43 VanDerWaalsContact C-CD1 3.49Å; G32-L43 WeakPolarHBondContact O-CD1 3.31Å; L43-L50 HydrophobicContact CD2-CD2 3.55Å; L43-I69 HydrophobicContact CD2-CG1 4.16Å; L43-Y149 WeakPolarHBondContact CA-OH 3.26Å; L43-Y149 HydrophobicContact CD2-CE1 4.31Å
44	G	90.1	Very high	89.9	Confident	10 Å²	10	36 Å²	36	10%	0.103	21%	0.214	C	C	.	.			trans	-84.4	160.5	176.7	0	0	0	0	0	113.2	S46 S47 Y149	G44-S46 VanDerWaalsContact C-N 3.29Å; G44-S46 PolarHBondContact O-N 3.44Å; G44-S47 CarbonylContact C-O 3.5Å; G44-S47 WeakPolarHBondContact CA-O 3.26Å; G44-S47 PolarHBondContact N-O 2.84Å; G44-Y149 PolarHBondContact N-OH 3.47Å; G44-Y149 VanDerWaalsContact N-OH 3.1Å; G44-Y149 PolarHBondContact O-OH 3.05Å
45	P	89.6	Confident	89.6	Confident	56 Å²	56	29.8 Å²	29.8	36%	0.364	19%	0.188	S	C	.	.	S	Bend	trans	-73.2	-18.1	-178.1	30.4	-36.1	0	0	0	113.8	V71 P72	P45-V71 WeakPolarHBondContact O-CG1 3.45Å; P45-P72 WeakPolarHBondContact O-CD 3.49Å
46	S	92.7	Very high	89.4	Confident	34 Å²	34	30.3 Å²	30.3	24%	0.238	18%	0.182	C	C	.	.	S	Bend	trans	-120.8	-25.8	-179.2	52	0	0	0	0	113.6	G44 S150 T151	G44-S46 VanDerWaalsContact C-N 3.29Å; G44-S46 PolarHBondContact O-N 3.44Å; S46-S150 CarbonylContact O-C 3.51Å; S46-S150 WeakPolarHBondContact O-CA 3.34Å; S46-S150 WeakPolarHBondContact O-CB 3.44Å; S46-T151 PolarHBondContact O-N 3.33Å
47	S	95.6	Very high	89.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	167.6	-177.5	63.3	0	0	0	0	111.4	G44 Y149 Y175 A178 A215	G44-S47 CarbonylContact C-O 3.5Å; G44-S47 WeakPolarHBondContact CA-O 3.26Å; G44-S47 PolarHBondContact N-O 2.84Å; S47-Y149 CarbonylContact C-O 3.48Å; S47-Y149 WeakPolarHBondContact CA-O 3.36Å; S47-Y149 VanDerWaalsContact CB-O 3.26Å; S47-Y149 WeakPolarHBondContact CB-O 3.31Å; S47-Y175 PolarHBondContact OG-OH 2.98Å; S47-A178 PolarHBondContact OG-N 3.34Å; S47-A215 PolarHBondContact OG-O 3.05Å
48	G	95.2	Very high	89.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.3	179.9	179	0	0	0	0	0	113.6	V42 S148 Y149 A178	V42-G48 WeakPolarHBondContact O-CA 3.31Å; G48-S148 WeakPolarHBondContact O-CA 3.38Å; G48-Y149 VanDerWaalsContact CA-CE1 3.43Å; G48-Y149 PolarHBondContact N-O 3.37Å; G48-Y149 WeakPolarHBondContact O-CD1 3.46Å; G48-Y149 PolarHBondContact O-N 2.9Å; G48-A178 CarbonylContact C-O 3.6Å; G48-A178 WeakPolarHBondContact CA-O 3.4Å
49	T	95.7	Very high	89.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144.2	-179.8	50.7	0	0	0	0	111	S41 V42 Y146 L147 C160 P177 A178 G179	S41-T49 VanDerWaalsContact CA-O 3.32Å; S41-T49 WeakPolarHBondContact CA-O 3.35Å; V42-T49 PolarHBondContact N-O 3.26Å; V42-T49 PolarHBondContact O-N 3.42Å; V42-T49 VanDerWaalsContact O-N 3.16Å; T49-Y146 HydrophobicContact CG2-CE1 4.04Å; T49-L147 WeakPolarHBondContact CA-O 3.48Å; T49-C160 WeakPolarHBondContact CG2-SG 3.44Å; T49-P177 HydrophobicContact CG2-CB 4.24Å; T49-P177 HydrophobicContact CG2-CG 4.01Å; T49-A178 WeakPolarHBondContact CG2-O 3.5Å; T49-A178 PolarHBondContact N-O 3.17Å; T49-A178 PolarHBondContact OG1-O 3.29Å; T49-G179 PolarHBondContact OG1-O 2.94Å
50	L	94.9	Very high	89.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.9	171.4	-48	179.4	0	0	0	109.3	L43 W67 I69 V132 F145 L147	L43-L50 HydrophobicContact CD2-CD2 3.55Å; L50-W67 HydrophobicContact CD1-CB 4.2Å; L50-W67 HydrophobicContact CD1-CD2 4.08Å; L50-W67 HydrophobicContact CD1-CE3 4.25Å; L50-W67 HydrophobicContact CD1-CG 4.1Å; L50-W67 HydrophobicContact CD2-CB 4.3Å; L50-W67 HydrophobicContact CD2-CD2 4.2Å; L50-W67 HydrophobicContact CD2-CG 3.82Å; L50-I69 HydrophobicContact CD1-CD1 4.33Å; L50-V132 HydrophobicContact CD1-CB 3.85Å; L50-V132 HydrophobicContact CD1-CG1 3.94Å; L50-V132 HydrophobicContact CD1-CG2 3.73Å; L50-F145 HydrophobicContact CB-CE2 4.06Å; L50-L147 HydrophobicContact CB-CD1 4.06Å; L50-L147 HydrophobicContact CB-CG 4.07Å; L50-L147 HydrophobicContact CD1-CD1 4Å; L50-L147 HydrophobicContact CD1-CD2 4.45Å; L50-L147 HydrophobicContact CD1-CG 4.45Å; L50-L147 HydrophobicContact CG-CD1 3.95Å; L50-L147 HydrophobicContact CG-CG 4.46Å; L50-L147 PolarHBondContact N-O 3.34Å; L50-L147 PolarHBondContact O-N 3.41Å
51	S	93.5	Very high	89.3	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	163.2	167.6	64.2	0	0	0	0	112.3	G39 P40 W67 F145	G39-S51 VanDerWaalsContact CA-O 3.24Å; G39-S51 WeakPolarHBondContact CA-O 3.27Å; G39-S51 PolarHBondContact N-O 2.92Å; P40-S51 PolarHBondContact O-OG 3.4Å; S51-W67 WeakPolarHBondContact O-CH2 3.47Å; S51-W67 WeakPolarHBondContact O-CZ2 3.46Å; S51-F145 WeakPolarHBondContact CA-O 3.34Å; S51-F145 VanDerWaalsContact CB-O 3.31Å; S51-F145 WeakPolarHBondContact CB-O 3.49Å
52	S	92.3	Very high	89.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-69.6	156.7	164	55.7	0	0	0	0	111	G39 N55 G144 F145	G39-S52 VanDerWaalsContact CA-C 3.46Å; G39-S52 WeakPolarHBondContact CA-O 3.2Å; S52-N55 WeakPolarHBondContact O-CB 3.41Å; S52-N55 PolarHBondContact O-N 2.98Å; S52-G144 WeakPolarHBondContact OG-CA 3.48Å; S52-F145 PolarHBondContact N-O 3.4Å; S52-F145 VanDerWaalsContact N-O 3.09Å; S52-F145 PolarHBondContact OG-N 2.9Å; S52-F145 VanDerWaalsContact OG-N 3.07Å
53	L	89.1	Confident	89	Confident	60 Å²	60	39.1 Å²	39.1	31%	0.314	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	148.3	171.3	-169.7	61.8	0	0	0	110.7	G37 N55 P60	G37-L53 PolarHBondContact O-N 2.97Å; L53-N55 PolarHBondContact O-N 3.44Å; L53-P60 HydrophobicContact CB-CG 3.89Å; L53-P60 HydrophobicContact CD2-CG 3.81Å; L53-P60 HydrophobicContact CG-CG 4.13Å
54	D	84	Confident	88.9	Confident	62 Å²	62	39.4 Å²	39.4	33%	0.332	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-0.6	-179.5	-68.2	-55.8	0	0	0	118.2	R57	D54-R57 HydrophobicContact CB-CB 4.45Å; D54-R57 WeakPolarHBondContact O-CA 3.27Å; D54-R57 WeakPolarHBondContact O-CB 3.4Å; D54-R57 PolarHBondContact O-N 3.12Å; D54-R57 IonicContact OD1-CZ 3.95Å; D54-R57 IonicContact OD1-NH2 2.7Å; D54-R57 PolarHBondContact OD1-NH2 2.88Å
55	N	81.1	Confident	89	Confident	30 Å²	30	38.9 Å²	38.9	16%	0.16	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	132.5	174	-175.5	-98.9	0	0	0	112.1	S52 L53 L83 R143 Y146	S52-N55 WeakPolarHBondContact O-CB 3.41Å; S52-N55 PolarHBondContact O-N 2.98Å; L53-N55 PolarHBondContact O-N 3.44Å; N55-L83 WeakPolarHBondContact ND2-CD2 3.35Å; N55-R143 PolarHBondContact ND2-O 3.29Å; N55-Y146 WeakPolarHBondContact OD1-CD2 3.25Å
56	P	79.6	Confident	89.3	Confident	59 Å²	59	38.1 Å²	38.1	38%	0.383	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.8	9.7	10	36.6	-38.2	0	0	0	115.9
57	R	83.8	Confident	89.4	Confident	168 Å²	168	36.5 Å²	36.5	63%	0.634	20%	0.195	S	C	*	.	S	Bend	trans	-75.9	172.8	172.5	-49	-175.3	-64.4	167.5	-0.6	110.6	D54 H59 R143	D54-R57 HydrophobicContact CB-CB 4.45Å; D54-R57 WeakPolarHBondContact O-CA 3.27Å; D54-R57 WeakPolarHBondContact O-CB 3.4Å; D54-R57 PolarHBondContact O-N 3.12Å; D54-R57 IonicContact OD1-CZ 3.95Å; D54-R57 IonicContact OD1-NH2 2.7Å; D54-R57 PolarHBondContact OD1-NH2 2.88Å; R57-H59 PolarHBondContact O-N 3.38Å; R57-R143 CarbonylContact O-C 3.51Å
58	T	84.8	Confident	89.4	Confident	75 Å²	75	39.8 Å²	39.8	46%	0.46	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-55.2	131.6	173.6	-45.9	0	0	0	0	110.6	H139 G142	T58-H139 WeakPolarHBondContact CG2-NE2 3.12Å; T58-G142 WeakPolarHBondContact CA-O 3.22Å
59	H	83.4	Confident	89.5	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.028	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-74	166	179.1	66.6	-82.7	0	0	0	111.5	R57 F134 S136 H139 G142	R57-H59 PolarHBondContact O-N 3.38Å; H59-F134 AromaticContact CD2-CE1 3.95Å; H59-F134 AromaticContact CD2-CZ 3.44Å; H59-F134 VanDerWaalsContact CD2-CZ 3.44Å; H59-F134 WeakPolarHBondContact CD2-CZ 3.46Å; H59-F134 AromaticContact NE2-CZ 3.74Å; H59-S136 PolarHBondContact CD2-OG 3.35Å; H59-S136 VanDerWaalsContact CD2-OG 3.23Å; H59-S136 PolarHBondContact NE2-OG 2.83Å; H59-H139 AromaticContact CD2-CE1 3.3Å; H59-H139 PolarHBondContact CD2-CE1 2.02Å; H59-H139 AromaticContact CD2-ND1 3.81Å; H59-H139 AromaticContact CD2-NE2 3.94Å; H59-H139 AromaticContact CE1-CD2 3.83Å; H59-H139 AromaticContact CE1-CE1 3.54Å; H59-H139 AromaticContact CE1-CG 3.83Å; H59-H139 AromaticContact CE1-ND1 3.68Å; H59-H139 AromaticContact CE1-NE2 3.67Å; H59-H139 AromaticContact CG-CE1 3.86Å; H59-H139 AromaticContact ND1-CE1 3.98Å; H59-H139 AromaticContact ND1-NE2 3.89Å; H59-H139 AromaticContact NE2-CE1 3.14Å; H59-H139 PolarHBondContact NE2-CE1 2.8Å; H59-H139 AromaticContact NE2-CG 3.79Å; H59-H139 AromaticContact NE2-ND1 3.19Å; H59-H139 PolarHBondContact NE2-ND1 3.48Å; H59-H139 VanDerWaalsContact NE2-ND1 3.19Å; H59-H139 AromaticContact NE2-NE2 3.75Å; H59-H139 PolarHBondContact O-CE1 2.83Å; H59-H139 PolarHBondContact O-NE2 3.41Å; H59-G142 PolarHBondContact N-O 2.89Å; H59-G142 PolarHBondContact ND1-O 2.94Å
60	P	85.4	Confident	89.4	Confident	34 Å²	34	43.3 Å²	43.3	22%	0.221	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-83.1	140.6	-179.1	0.7	15.3	0	0	0	112.5	L53 T63 S136	L53-P60 HydrophobicContact CB-CG 3.89Å; L53-P60 HydrophobicContact CD2-CG 3.81Å; L53-P60 HydrophobicContact CG-CG 4.13Å; P60-T63 HydrophobicContact CB-CG2 3.81Å; P60-T63 HydrophobicContact CG-CG2 4.14Å; P60-T63 PolarHBondContact O-OG1 3.3Å; P60-S136 WeakPolarHBondContact O-CB 3.13Å; P60-S136 PolarHBondContact O-OG 2.78Å
61	S	87.6	Confident	89.4	Confident	45 Å²	45	43.5 Å²	43.5	32%	0.315	23%	0.233	S	C	.	.	S	Bend	trans	-69.9	164.7	166.6	-74.1	0	0	0	0	111.6	T63 V137 H139	S61-T63 VanDerWaalsContact C-N 3.31Å; S61-T63 PolarHBondContact O-N 3.36Å; S61-V137 VanDerWaalsContact CB-O 3.31Å; S61-V137 WeakPolarHBondContact CB-O 3.35Å; S61-H139 PolarHBondContact OG-CE1 2.95Å; S61-H139 PolarHBondContact OG-ND1 2.84Å
62	D	87.9	Confident	89.5	Confident	105 Å²	105	46.8 Å²	46.8	56%	0.561	25%	0.254	S	S	*	.	S	Bend	trans	52.4	39.9	-177.8	-66.3	-50.4	0	0	0	115.1	S136 V137 M138	D62-S136 CarbonylContact C-O 3.54Å; D62-S136 WeakPolarHBondContact CA-O 3.31Å; D62-S136 PolarHBondContact N-O 2.8Å; D62-V137 PolarHBondContact N-O 2.98Å; D62-M138 WeakPolarHBondContact OD2-CE 3.49Å
63	T	89.2	Confident	89.6	Confident	10 Å²	10	57.8 Å²	57.8	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.6	179.7	60.5	0	0	0	0	114.6	D36 P60 S61 S136	D36-T63 WeakPolarHBondContact OD1-CA 3.16Å; D36-T63 WeakPolarHBondContact OD1-CB 3.33Å; P60-T63 HydrophobicContact CB-CG2 3.81Å; P60-T63 HydrophobicContact CG-CG2 4.14Å; P60-T63 PolarHBondContact O-OG1 3.3Å; S61-T63 VanDerWaalsContact C-N 3.31Å; S61-T63 PolarHBondContact O-N 3.36Å; T63-S136 PolarHBondContact N-O 2.85Å; T63-S136 PolarHBondContact O-N 3.31Å
64	V	91.7	Very high	89.7	Confident	70 Å²	70	58.8 Å²	58.8	42%	0.424	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.5	168.9	-179.2	0	0	0	0	108.5	G35 D36 F134 R135	G35-V64 WeakPolarHBondContact CA-O 3.33Å; D36-V64 PolarHBondContact N-O 2.87Å; D36-V64 PolarHBondContact OD1-N 3.36Å; V64-F134 WeakPolarHBondContact CA-O 3.39Å; V64-R135 HydrophobicContact CG2-CG 4.19Å
65	C	92	Very high	90.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.7	168.6	-170.3	0	0	0	0	111.5	K34 C38 W67 Q133 F134	K34-C65 CarbonylContact O-C 3.58Å; K34-C65 WeakPolarHBondContact O-CA 3.28Å; C38-C65 WeakPolarHBondContact CA-SG 3.47Å; C38-C65 HydrophobicContact CB-CB 3.96Å; C38-C65 WeakPolarHBondContact CB-SG 3.37Å; C38-C65 WeakPolarHBondContact SG-CB 3.24Å; C38-C65 CovalentContact SG-SG 2.02Å; C38-C65 PolarHBondContact SG-SG 3.41Å; C65-W67 HydrophobicContact CB-CE3 4.36Å; C65-W67 HydrophobicContact CB-CH2 3.73Å; C65-W67 HydrophobicContact CB-CZ2 4.31Å; C65-W67 HydrophobicContact CB-CZ3 3.75Å; C65-W67 WeakPolarHBondContact SG-CH2 3.29Å; C65-W67 WeakPolarHBondContact SG-CZ2 3.45Å; C65-W67 WeakPolarHBondContact SG-CZ3 3.44Å; C65-Q133 CarbonylContact O-C 3.58Å; C65-Q133 WeakPolarHBondContact O-CA 3.36Å; C65-F134 HydrophobicContact CB-CB 4.36Å; C65-F134 PolarHBondContact N-O 2.84Å; C65-F134 PolarHBondContact O-N 3.45Å; C65-F134 VanDerWaalsContact O-O 3.09Å
66	E	95.1	Very high	90.9	Very high	39 Å²	39	62 Å²	62	18%	0.182	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.4	172.2	-167.9	162.1	89.3	0	0	110	Q33 K34 K106 T131 V132 Q133	Q33-E66 CarbonylContact C-O 3.56Å; Q33-E66 WeakPolarHBondContact CA-O 3.41Å; K34-E66 PolarHBondContact N-O 2.84Å; K34-E66 PolarHBondContact O-N 2.98Å; E66-K106 IonicContact OE1-NZ 3.84Å; E66-K106 IonicContact OE2-NZ 2.68Å; E66-K106 PolarHBondContact OE2-NZ 2.9Å; E66-T131 HydrophobicContact CG-CG2 3.37Å; E66-V132 CarbonylContact C-O 3.41Å; E66-V132 WeakPolarHBondContact CA-O 3.4Å; E66-Q133 PolarHBondContact OE2-NE2 3.34Å
67	W	96.1	Very high	91.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.8	172.9	-63.7	-92.5	0	0	0	111.1	G32 C38 L50 S51 C65 T131 V132 F134 F145	G32-W67 CarbonylContact O-C 3.4Å; G32-W67 WeakPolarHBondContact O-CA 3.35Å; G32-W67 WeakPolarHBondContact O-CB 3.3Å; C38-W67 HydrophobicContact CB-CZ2 3.91Å; L50-W67 HydrophobicContact CD1-CB 4.2Å; L50-W67 HydrophobicContact CD1-CD2 4.08Å; L50-W67 HydrophobicContact CD1-CE3 4.25Å; L50-W67 HydrophobicContact CD1-CG 4.1Å; L50-W67 HydrophobicContact CD2-CB 4.3Å; L50-W67 HydrophobicContact CD2-CD2 4.2Å; L50-W67 HydrophobicContact CD2-CG 3.82Å; S51-W67 WeakPolarHBondContact O-CH2 3.47Å; S51-W67 WeakPolarHBondContact O-CZ2 3.46Å; C65-W67 HydrophobicContact CB-CE3 4.36Å; C65-W67 HydrophobicContact CB-CH2 3.73Å; C65-W67 HydrophobicContact CB-CZ2 4.31Å; C65-W67 HydrophobicContact CB-CZ3 3.75Å; C65-W67 WeakPolarHBondContact SG-CH2 3.29Å; C65-W67 WeakPolarHBondContact SG-CZ2 3.45Å; C65-W67 WeakPolarHBondContact SG-CZ3 3.44Å; W67-T131 CarbonylContact O-C 3.56Å; W67-T131 VanDerWaalsContact O-CA 3.27Å; W67-T131 WeakPolarHBondContact O-CA 3.35Å; W67-V132 HydrophobicContact CB-CB 4.37Å; W67-V132 HydrophobicContact CE3-CB 4.28Å; W67-V132 HydrophobicContact CE3-CG1 4.22Å; W67-V132 PolarHBondContact N-O 2.94Å; W67-V132 PolarHBondContact O-N 2.68Å; W67-F134 HydrophobicContact CH2-CB 4.47Å; W67-F134 HydrophobicContact CZ3-CB 3.91Å; W67-F145 HydrophobicContact CH2-CE1 4.11Å; W67-F145 AromaticContact CH2-CZ 3.54Å; W67-F145 HydrophobicContact CH2-CZ 3.54Å; W67-F145 HydrophobicContact CZ2-CZ 4.5Å; W67-F145 HydrophobicContact CZ3-CE1 4.26Å; W67-F145 AromaticContact CZ3-CZ 3.63Å; W67-F145 HydrophobicContact CZ3-CZ 3.63Å
68	E	95.8	Very high	92.3	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	107.6	175.3	-67.6	-175.8	-178.8	0	0	109.4	G32 I102	G32-E68 PolarHBondContact O-N 3.33Å; E68-I102 HydrophobicContact CB-CD1 4Å; E68-I102 HydrophobicContact CB-CG1 4.23Å; E68-I102 VanDerWaalsContact CD-CG2 3.43Å; E68-I102 HydrophobicContact CG-CD1 4.43Å; E68-I102 HydrophobicContact CG-CG1 4.2Å; E68-I102 HydrophobicContact CG-CG2 4.15Å; E68-I102 WeakPolarHBondContact OE1-CG2 3.25Å; E68-I102 WeakPolarHBondContact OE2-CG2 3.37Å
69	I	96.1	Very high	92.8	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.4	178.8	-53.7	169.2	0	0	0	108.5	L43 L50 V71 I77 F79 Q129 V130 V132 Y149	L43-I69 HydrophobicContact CD2-CG1 4.16Å; L50-I69 HydrophobicContact CD1-CD1 4.33Å; I69-V71 HydrophobicContact CG2-CG1 4.48Å; I69-I77 HydrophobicContact CB-CD1 4.3Å; I69-I77 HydrophobicContact CG2-CD1 3.75Å; I69-F79 HydrophobicContact CD1-CE1 3.68Å; I69-F79 HydrophobicContact CD1-CZ 4.09Å; I69-Q129 WeakPolarHBondContact O-CA 3.31Å; I69-V130 PolarHBondContact N-O 2.86Å; I69-V130 PolarHBondContact O-N 2.99Å; I69-V132 HydrophobicContact CD1-CG2 3.96Å; I69-Y149 HydrophobicContact CD1-CD1 3.84Å; I69-Y149 HydrophobicContact CD1-CE1 3.87Å; I69-Y149 HydrophobicContact CD1-CG 4.2Å; I69-Y149 HydrophobicContact CG1-CE1 4.3Å; I69-Y149 HydrophobicContact CG2-CD2 4.19Å; I69-Y149 HydrophobicContact CG2-CE1 4.38Å; I69-Y149 HydrophobicContact CG2-CE2 3.61Å
70	T	95	Very high	93.4	Very high	71 Å²	71	52 Å²	52	44%	0.436	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.1	171.6	-64.4	0	0	0	0	109.9	N128 Q129	T70-N128 WeakPolarHBondContact CA-O 3.05Å; T70-Q129 HydrophobicContact CG2-CG 4.07Å
71	V	94.7	Very high	93.8	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.024	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-103	166.7	171.8	-59.8	0	0	0	0	110.3	P45 I69 K75 I77 N128 T151	P45-V71 WeakPolarHBondContact O-CG1 3.45Å; I69-V71 HydrophobicContact CG2-CG1 4.48Å; V71-K75 HydrophobicContact CG2-CB 4.03Å; V71-I77 HydrophobicContact CB-CG1 4.29Å; V71-I77 HydrophobicContact CG1-CD1 3.93Å; V71-I77 HydrophobicContact CG1-CG1 3.75Å; V71-I77 HydrophobicContact CG2-CD1 3.99Å; V71-I77 HydrophobicContact CG2-CG1 3.53Å; V71-N128 HydrophobicContact CG2-CB 3.93Å; V71-N128 PolarHBondContact N-O 3.02Å; V71-N128 PolarHBondContact O-ND2 3.16Å; V71-T151 HydrophobicContact CB-CG2 4.03Å; V71-T151 HydrophobicContact CG1-CG2 4.08Å; V71-T151 HydrophobicContact CG2-CG2 4.29Å
72	P	94.9	Very high	94	Very high	72 Å²	72	50.8 Å²	50.8	47%	0.468	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-50	144.2	176.7	-31.6	36.7	0	0	0	114.1	P45 K75	P45-P72 WeakPolarHBondContact O-CD 3.49Å; P72-K75 HydrophobicContact CB-CG 4.28Å; P72-K75 WeakPolarHBondContact O-CB 3.45Å; P72-K75 PolarHBondContact O-N 3.32Å; P72-K75 VanDerWaalsContact O-N 3.14Å
73	R	93.5	Very high	94.1	Very high	232 Å²	232	46.7 Å²	46.7	88%	0.875	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	139.9	-179.5	-69.6	-177	176.3	179.1	-1.3	111.1	K75	R73-K75 VanDerWaalsContact C-N 3.26Å; R73-K75 PolarHBondContact O-N 3.44Å
74	G	92.3	Very high	94.2	Very high	81 Å²	81	46.3 Å²	46.3	84%	0.835	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.3	-5.4	-177.3	0	0	0	0	0	114.9
75	K	94.1	Very high	94.2	Very high	68 Å²	68	43.7 Å²	43.7	30%	0.296	23%	0.225	S	C	.	.			trans	-92.5	151.4	166.9	-52.3	-59.6	179.5	178.1	0	110.2	V71 P72 R73 N128 T151 E153	V71-K75 HydrophobicContact CG2-CB 4.03Å; P72-K75 HydrophobicContact CB-CG 4.28Å; P72-K75 WeakPolarHBondContact O-CB 3.45Å; P72-K75 PolarHBondContact O-N 3.32Å; P72-K75 VanDerWaalsContact O-N 3.14Å; R73-K75 VanDerWaalsContact C-N 3.26Å; R73-K75 PolarHBondContact O-N 3.44Å; K75-N128 VanDerWaalsContact O-CA 3.25Å; K75-N128 WeakPolarHBondContact O-CA 3.16Å; K75-N128 WeakPolarHBondContact O-CB 3.01Å; K75-T151 HydrophobicContact CB-CG2 4.01Å; K75-T151 HydrophobicContact CG-CG2 4.37Å; K75-E153 HydrophobicContact CD-CG 4.41Å; K75-E153 WeakPolarHBondContact CD-OE2 3.41Å; K75-E153 WeakPolarHBondContact CE-OE2 3.49Å; K75-E153 IonicContact NZ-OE1 3.2Å; K75-E153 PolarHBondContact NZ-OE1 3.42Å; K75-E153 IonicContact NZ-OE2 2.84Å; K75-E153 PolarHBondContact NZ-OE2 2.85Å
76	R	95.8	Very high	94.1	Very high	90 Å²	90	43.7 Å²	43.7	34%	0.34	23%	0.225	S	C	.	.			trans	-109	164.7	167.5	-59.2	-176	-53.7	120.7	0.9	108.6	E124 S125 T151 T152	R76-E124 IonicContact CZ-OE2 3.3Å; R76-E124 IonicContact NH1-OE2 3.14Å; R76-E124 PolarHBondContact NH1-OE2 3.35Å; R76-E124 IonicContact NH2-OE1 3.17Å; R76-E124 PolarHBondContact NH2-OE1 3.01Å; R76-E124 IonicContact NH2-OE2 2.69Å; R76-E124 PolarHBondContact NH2-OE2 2.84Å; R76-S125 WeakPolarHBondContact CD-O 3.48Å; R76-S125 PolarHBondContact NH1-O 2.72Å; R76-T151 VanDerWaalsContact O-CA 3.29Å; R76-T151 WeakPolarHBondContact O-CA 3.12Å; R76-T152 HydrophobicContact CB-CG2 3.79Å; R76-T152 PolarHBondContact O-N 2.88Å
77	I	96.7	Very high	93.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.5	-177.2	-51.7	169.3	0	0	0	107.5	I69 V71 F79 E124 S125 V130 Y149 S150	I69-I77 HydrophobicContact CB-CD1 4.3Å; I69-I77 HydrophobicContact CG2-CD1 3.75Å; V71-I77 HydrophobicContact CB-CG1 4.29Å; V71-I77 HydrophobicContact CG1-CD1 3.93Å; V71-I77 HydrophobicContact CG1-CG1 3.75Å; V71-I77 HydrophobicContact CG2-CD1 3.99Å; V71-I77 HydrophobicContact CG2-CG1 3.53Å; I77-F79 HydrophobicContact CB-CE2 4.05Å; I77-F79 HydrophobicContact CB-CZ 4.13Å; I77-F79 HydrophobicContact CG2-CD2 4.4Å; I77-F79 HydrophobicContact CG2-CE1 4.06Å; I77-F79 HydrophobicContact CG2-CE2 3.65Å; I77-F79 HydrophobicContact CG2-CZ 3.43Å; I77-F79 VanDerWaalsContact CG2-CZ 3.43Å; I77-E124 CarbonylContact O-C 3.54Å; I77-E124 WeakPolarHBondContact O-CA 2.98Å; I77-S125 PolarHBondContact N-OG 2.89Å; I77-S125 PolarHBondContact O-N 3.13Å; I77-S125 PolarHBondContact O-OG 2.82Å; I77-V130 HydrophobicContact CD1-CB 4.15Å; I77-V130 HydrophobicContact CD1-CG2 3.97Å; I77-Y149 HydrophobicContact CG2-CD2 3.84Å; I77-Y149 HydrophobicContact CG2-CG 4.29Å; I77-S150 WeakPolarHBondContact CA-O 3.14Å
78	H	95.6	Very high	92.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	159.1	163.5	59.1	-132.5	0	0	0	112.3	L122 I123 E124 Y149 S150 T151 T152 H154	H78-L122 HydrophobicContact CB-CD1 4.01Å; H78-L122 HydrophobicContact CB-CD2 4.12Å; H78-L122 HydrophobicContact CB-CG 3.88Å; H78-I123 CarbonylContact C-O 3.57Å; H78-I123 WeakPolarHBondContact CA-O 3.44Å; H78-I123 WeakPolarHBondContact CB-O 3.02Å; H78-E124 HydrophobicContact CB-CG 4.23Å; H78-Y149 VanDerWaalsContact O-CA 3.25Å; H78-Y149 WeakPolarHBondContact O-CA 3.4Å; H78-Y149 WeakPolarHBondContact O-CB 3.27Å; H78-S150 PolarHBondContact N-O 3.19Å; H78-S150 PolarHBondContact NE2-OG 2.81Å; H78-S150 PolarHBondContact O-N 2.94Å; H78-S150 VanDerWaalsContact O-N 3.17Å; H78-T151 PolarHBondContact CE1-O 3.34Å; H78-T152 HydrophobicContact CB-CG2 4.37Å; H78-T152 WeakPolarHBondContact ND1-CA 3.33Å; H78-H154 VanDerWaalsContact CE1-C 3.47Å; H78-H154 PolarHBondContact CE1-O 2.65Å; H78-H154 PolarHBondContact NE2-O 3.03Å
79	F	96.1	Very high	91.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.2	-174.2	-59	-91.7	0	0	0	110.7	I69 I77 L98 I123 V130 V132 L147 S148 Y149	I69-F79 HydrophobicContact CD1-CE1 3.68Å; I69-F79 HydrophobicContact CD1-CZ 4.09Å; I77-F79 HydrophobicContact CB-CE2 4.05Å; I77-F79 HydrophobicContact CB-CZ 4.13Å; I77-F79 HydrophobicContact CG2-CD2 4.4Å; I77-F79 HydrophobicContact CG2-CE1 4.06Å; I77-F79 HydrophobicContact CG2-CE2 3.65Å; I77-F79 HydrophobicContact CG2-CZ 3.43Å; I77-F79 VanDerWaalsContact CG2-CZ 3.43Å; F79-L98 HydrophobicContact CB-CD2 4.09Å; F79-L98 HydrophobicContact CD1-CD2 4.06Å; F79-L98 HydrophobicContact CD2-CD2 3.65Å; F79-L98 HydrophobicContact CE1-CD2 4.48Å; F79-L98 HydrophobicContact CE2-CD2 4.12Å; F79-L98 HydrophobicContact CG-CD2 3.64Å; F79-I123 HydrophobicContact CB-CB 4.39Å; F79-I123 PolarHBondContact N-O 2.82Å; F79-I123 PolarHBondContact O-N 3.17Å; F79-V130 HydrophobicContact CE1-CG1 4.42Å; F79-V130 HydrophobicContact CE2-CG1 4.13Å; F79-V130 HydrophobicContact CE2-CG2 4.08Å; F79-V130 HydrophobicContact CZ-CB 3.99Å; F79-V130 HydrophobicContact CZ-CG1 3.59Å; F79-V130 HydrophobicContact CZ-CG2 4.03Å; F79-V132 HydrophobicContact CE1-CG2 4.28Å; F79-L147 HydrophobicContact CD1-CD1 3.99Å; F79-S148 WeakPolarHBondContact CA-O 3.27Å; F79-Y149 HydrophobicContact CE1-CG 4.22Å
80	R	95.3	Very high	90.4	Very high	99 Å²	99	49.7 Å²	49.7	37%	0.374	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.3	174.2	-172.2	179.8	-175	120	15.2	109.3	L147 S148 L157 T159 D162	R80-L147 WeakPolarHBondContact O-CA 3.17Å; R80-S148 PolarHBondContact N-O 3.23Å; R80-S148 PolarHBondContact O-N 2.92Å; R80-L157 HydrophobicContact CB-CD2 4.07Å; R80-L157 HydrophobicContact CB-CG 4.47Å; R80-L157 VanDerWaalsContact CD-O 3.22Å; R80-L157 WeakPolarHBondContact CD-O 3.46Å; R80-L157 PolarHBondContact NH1-O 2.89Å; R80-T159 HydrophobicContact CB-CG2 4.36Å; R80-T159 HydrophobicContact CG-CG2 3.75Å; R80-D162 IonicContact NE-OD2 2.72Å
81	F	94	Very high	89.9	Confident	18 Å²	18	47.6 Å²	47.6	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.5	175.9	-76.8	-88.1	0	0	0	110.8	L84 L96 L98 Y112 V119 I123 F145 L147	F81-L84 HydrophobicContact CD1-CB 4.07Å; F81-L84 HydrophobicContact CD1-CD1 4.36Å; F81-L84 HydrophobicContact CD1-CD2 4.09Å; F81-L84 HydrophobicContact CD1-CG 4.42Å; F81-L84 HydrophobicContact CE1-CD1 4.09Å; F81-L84 HydrophobicContact CE1-CD2 4.11Å; F81-L84 HydrophobicContact CG-CD2 4.41Å; F81-L84 HydrophobicContact CZ-CD2 4.46Å; F81-L96 HydrophobicContact CE1-CD2 3.36Å; F81-L96 HydrophobicContact CZ-CD2 3.52Å; F81-L98 HydrophobicContact CZ-CD1 4.36Å; F81-Y112 HydrophobicContact CE2-CD2 4.32Å; F81-Y112 AromaticContact CE2-CE2 3.92Å; F81-Y112 HydrophobicContact CE2-CE2 3.92Å; F81-Y112 HydrophobicContact CZ-CD2 4.29Å; F81-Y112 HydrophobicContact CZ-CE2 4.34Å; F81-V119 HydrophobicContact CB-CB 4.23Å; F81-V119 HydrophobicContact CD2-CB 4.14Å; F81-V119 HydrophobicContact CD2-CG1 4.04Å; F81-V119 HydrophobicContact CD2-CG2 4.44Å; F81-V119 HydrophobicContact CG-CB 4.43Å; F81-I123 HydrophobicContact CD2-CD1 4Å; F81-I123 HydrophobicContact CE2-CD1 3.54Å; F81-F145 HydrophobicContact CE1-CD2 4.47Å; F81-L147 HydrophobicContact CD1-CB 3.79Å; F81-L147 HydrophobicContact CD1-CD2 4.48Å; F81-L147 HydrophobicContact CE1-CB 3.77Å; F81-L147 HydrophobicContact CE1-CD2 3.62Å; F81-L147 HydrophobicContact CE1-CG 4.34Å; F81-L147 HydrophobicContact CG-CB 4.31Å; F81-L147 HydrophobicContact CZ-CB 4.28Å; F81-L147 HydrophobicContact CZ-CD2 3.66Å
82	A	91.6	Very high	89.4	Confident	35 Å²	35	53.6 Å²	53.6	29%	0.289	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-31.3	167.6	0	0	0	0	0	110.9	Y146 T159 L161	A82-Y146 HydrophobicContact CB-CD1 3.92Å; A82-Y146 HydrophobicContact CB-CG 4.5Å; A82-Y146 PolarHBondContact N-O 2.97Å; A82-T159 HydrophobicContact CB-CG2 3.76Å; A82-T159 VanDerWaalsContact CB-OG1 3.24Å; A82-T159 WeakPolarHBondContact CB-OG1 3.11Å; A82-L161 HydrophobicContact CB-CB 4.19Å; A82-L161 HydrophobicContact CB-CD1 3.74Å; A82-L161 HydrophobicContact CB-CG 3.95Å
83	L	90.7	Very high	88.9	Confident	19 Å²	19	52.7 Å²	52.7	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	138.9	-178.7	174.9	67.2	0	0	0	109.5	N55 D85 R143 F145 Y146	N55-L83 WeakPolarHBondContact ND2-CD2 3.35Å; L83-D85 HydrophobicContact CD1-CB 4.17Å; L83-R143 HydrophobicContact CD1-CB 4.49Å; L83-R143 VanDerWaalsContact CD1-CZ 3.48Å; L83-R143 HydrophobicContact CD2-CB 3.82Å; L83-F145 VanDerWaalsContact O-CA 3.28Å; L83-F145 WeakPolarHBondContact O-CA 3.47Å; L83-F145 WeakPolarHBondContact O-CB 3.45Å; L83-Y146 PolarHBondContact N-O 2.96Å; L83-Y146 PolarHBondContact O-N 2.84Å
84	L	92	Very high	88.7	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	102.6	173.4	-174.7	56.5	0	0	0	110.3	F81 L86 L96 Y112 D116 Q117 V119 F145	F81-L84 HydrophobicContact CD1-CB 4.07Å; F81-L84 HydrophobicContact CD1-CD1 4.36Å; F81-L84 HydrophobicContact CD1-CD2 4.09Å; F81-L84 HydrophobicContact CD1-CG 4.42Å; F81-L84 HydrophobicContact CE1-CD1 4.09Å; F81-L84 HydrophobicContact CE1-CD2 4.11Å; F81-L84 HydrophobicContact CG-CD2 4.41Å; F81-L84 HydrophobicContact CZ-CD2 4.46Å; L84-L86 HydrophobicContact CD1-CD1 4.13Å; L84-L86 HydrophobicContact CD1-CD2 4.15Å; L84-L86 HydrophobicContact CD1-CG 3.99Å; L84-L96 HydrophobicContact CD1-CB 4.46Å; L84-L96 HydrophobicContact CD1-CD2 4.07Å; L84-Y112 HydrophobicContact CD2-CD1 4.18Å; L84-Y112 HydrophobicContact CD2-CD2 3.91Å; L84-Y112 HydrophobicContact CD2-CG 3.66Å; L84-D116 CarbonylContact O-C 3.55Å; L84-Q117 PolarHBondContact O-N 2.97Å; L84-V119 HydrophobicContact CD2-CG2 3.73Å; L84-F145 HydrophobicContact CD1-CB 3.81Å
85	D	90.9	Very high	88.8	Confident	14 Å²	14	38.5 Å²	38.5	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	87.5	-169.4	-179.9	26.2	0	0	0	109.6	L83 L115 D116 G142 R143 G144	L83-D85 HydrophobicContact CD1-CB 4.17Å; D85-L115 WeakPolarHBondContact OD1-CA 3.48Å; D85-L115 WeakPolarHBondContact OD1-CD2 3.42Å; D85-D116 PolarHBondContact OD1-N 3.47Å; D85-D116 VanDerWaalsContact OD1-N 3.15Å; D85-G142 CarbonylContact O-C 3.59Å; D85-G142 WeakPolarHBondContact O-CA 3.39Å; D85-G142 WeakPolarHBondContact OD2-CA 3.35Å; D85-R143 HydrophobicContact CB-CB 4.25Å; D85-R143 PolarHBondContact O-N 2.02Å; D85-R143 WeakPolarHBondContact OD2-CB 3.47Å; D85-R143 WeakPolarHBondContact OD2-CG 3.31Å; D85-R143 PolarHBondContact OD2-N 3.46Å; D85-R143 IonicContact OD2-NE 2.73Å; D85-R143 PolarHBondContact OD2-NE 3.38Å; D85-G144 CarbonylContact C-O 3.49Å; D85-G144 PolarHBondContact N-O 2.9Å; D85-G144 WeakPolarHBondContact O-CA 3.29Å; D85-G144 PolarHBondContact O-N 3.01Å
86	L	89.3	Confident	88.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.			trans	-101.9	1.8	-166.1	-57.6	-167.4	0	0	0	114.4	L84 D88 L96 G114 F134 F145	L84-L86 HydrophobicContact CD1-CD1 4.13Å; L84-L86 HydrophobicContact CD1-CD2 4.15Å; L84-L86 HydrophobicContact CD1-CG 3.99Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 3.34Å; L86-L96 HydrophobicContact CD1-CB 3.93Å; L86-G114 PolarHBondContact N-O 2.85Å; L86-F134 HydrophobicContact CD1-CE2 4.13Å; L86-F134 HydrophobicContact CD2-CE2 3.68Å; L86-F134 HydrophobicContact CD2-CZ 4.32Å; L86-F134 HydrophobicContact CG-CE2 4.49Å; L86-F145 HydrophobicContact CD2-CB 4.48Å
87	G	80.3	Confident	88.7	Confident	18 Å²	18	33.3 Å²	33.3	19%	0.186	18%	0.183	C	C	.	.	S	Bend	trans	79.4	5.1	169.1	0	0	0	0	0	116.7	G114 T141	G87-G114 PolarHBondContact N-O 2.84Å; G87-T141 WeakPolarHBondContact CA-O 3.4Å
88	D	77	Confident	88.7	Confident	17 Å²	17	33.3 Å²	33.3	9%	0.091	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-142	129.5	-163.4	-175.8	-2	0	0	0	111.6	L86 D90 V93 N94 G114	L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 3.34Å; D88-D90 PolarHBondContact OD1-N 2.88Å; D88-V93 WeakPolarHBondContact OD2-CG2 3.44Å; D88-N94 HydrophobicContact CB-CB 3.71Å; D88-N94 WeakPolarHBondContact CB-ND2 3.22Å; D88-N94 WeakPolarHBondContact OD2-CB 3.43Å; D88-N94 PolarHBondContact OD2-N 3.32Å; D88-N94 PolarHBondContact OD2-ND2 2.83Å; D88-G114 WeakPolarHBondContact O-CA 3.38Å; D88-G114 PolarHBondContact O-N 3.48Å
89	S	71.7	Confident	88.8	Confident	118 Å²	118	34.7 Å²	34.7	83%	0.825	19%	0.189	S	C	*	.	S	Bend	trans	-94.2	-14.9	-178.8	53.7	0	0	0	0	114.8
90	D	77.3	Confident	88.9	Confident	84 Å²	84	35.9 Å²	35.9	45%	0.449	20%	0.195	S	C	.	.	S	Bend	trans	-97.5	-8.8	-171.8	83	14.6	0	0	0	114.6	D88 Q92	D88-D90 PolarHBondContact OD1-N 2.88Å; D90-Q92 HydrophobicContact CB-CG 4.35Å; D90-Q92 PolarHBondContact O-N 3.32Å; D90-Q92 PolarHBondContact O-NE2 2.87Å; D90-Q92 VanDerWaalsContact O-NE2 3.16Å; D90-Q92 WeakPolarHBondContact OD1-CA 3.14Å; D90-Q92 VanDerWaalsContact OD1-CB 3.22Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.4Å; D90-Q92 WeakPolarHBondContact OD1-CG 3.43Å; D90-Q92 PolarHBondContact OD1-N 2.86Å
91	C	84.8	Confident	88.9	Confident	28 Å²	28	32.2 Å²	32.2	19%	0.189	19%	0.188	C	C	.	.	S	Bend	trans	60.6	1	-178.5	-98	0	0	0	0	114.9	Y95 K111 C113	C91-Y95 WeakPolarHBondContact O-CD1 3.42Å; C91-K111 WeakPolarHBondContact O-CE 3.43Å; C91-K111 PolarHBondContact O-NZ 3.34Å; C91-C113 WeakPolarHBondContact CA-SG 2.99Å; C91-C113 HydrophobicContact CB-CB 3.89Å; C91-C113 WeakPolarHBondContact CB-SG 3.5Å; C91-C113 PolarHBondContact N-SG 3.2Å; C91-C113 WeakPolarHBondContact SG-CB 3.3Å; C91-C113 CovalentContact SG-SG 2.02Å; C91-C113 PolarHBondContact SG-SG 2.79Å
92	Q	84.6	Confident	88.9	Confident	129 Å²	129	33.5 Å²	33.5	60%	0.603	20%	0.195	S	C	*	.	S	Bend	trans	-77.3	-45.3	-173	-58.1	-53	-37.1	0	0	111.5	D90	D90-Q92 HydrophobicContact CB-CG 4.35Å; D90-Q92 PolarHBondContact O-N 3.32Å; D90-Q92 PolarHBondContact O-NE2 2.87Å; D90-Q92 VanDerWaalsContact O-NE2 3.16Å; D90-Q92 WeakPolarHBondContact OD1-CA 3.14Å; D90-Q92 VanDerWaalsContact OD1-CB 3.22Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.4Å; D90-Q92 WeakPolarHBondContact OD1-CG 3.43Å; D90-Q92 PolarHBondContact OD1-N 2.86Å
93	V	84.3	Confident	88.8	Confident	53 Å²	53	33.5 Å²	33.5	32%	0.321	20%	0.198	S	C	.	.	S	Bend	trans	-108.6	-37.3	-168.3	-69.2	0	0	0	0	113.4	D88 V137	D88-V93 WeakPolarHBondContact OD2-CG2 3.44Å; V93-V137 HydrophobicContact CB-CB 4.17Å; V93-V137 HydrophobicContact CB-CG2 4.31Å; V93-V137 WeakPolarHBondContact O-CG2 3.27Å
94	N	89.2	Confident	88.6	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.011	24%	0.236	C	C	.	.	S	Bend	trans	-111.8	121.3	172	-43.2	-78.6	0	0	0	110.3	D88 C113 R135 S136 V137 M138	D88-N94 HydrophobicContact CB-CB 3.71Å; D88-N94 WeakPolarHBondContact CB-ND2 3.22Å; D88-N94 WeakPolarHBondContact OD2-CB 3.43Å; D88-N94 PolarHBondContact OD2-N 3.32Å; D88-N94 PolarHBondContact OD2-ND2 2.83Å; N94-C113 WeakPolarHBondContact O-CB 3.3Å; N94-R135 CarbonylContact C-O 3.49Å; N94-R135 VanDerWaalsContact CA-O 3.31Å; N94-R135 WeakPolarHBondContact CA-O 3.44Å; N94-S136 VanDerWaalsContact OD1-CA 3.28Å; N94-S136 WeakPolarHBondContact OD1-CA 3.28Å; N94-S136 PolarHBondContact OD1-OG 2.92Å; N94-V137 PolarHBondContact OD1-N 2.8Å; N94-M138 PolarHBondContact ND2-O 2.81Å; N94-M138 PolarHBondContact OD1-N 3Å
95	Y	92.8	Very high	88.5	Confident	13 Å²	13	47.9 Å²	47.9	5%	0.051	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	157.3	-179.9	58.3	-104	0	0	0	113.2	C91 R97 Y112 F134 R135	C91-Y95 WeakPolarHBondContact O-CD1 3.42Å; Y95-R97 HydrophobicContact CD2-CB 4.43Å; Y95-R97 HydrophobicContact CD2-CG 3.73Å; Y95-R97 HydrophobicContact CE2-CG 4.07Å; Y95-R97 VanDerWaalsContact CZ-NH1 3.3Å; Y95-R97 PolarHBondContact OH-NH1 2.94Å; Y95-Y112 VanDerWaalsContact CA-O 3.25Å; Y95-Y112 WeakPolarHBondContact CA-O 3.35Å; Y95-Y112 WeakPolarHBondContact CB-O 3.48Å; Y95-F134 WeakPolarHBondContact O-CD2 3.48Å; Y95-R135 HydrophobicContact CD2-CB 4.28Å; Y95-R135 HydrophobicContact CE1-CB 4.26Å; Y95-R135 HydrophobicContact CE1-CG 4.48Å; Y95-R135 HydrophobicContact CE2-CB 3.87Å; Y95-R135 PolarHBondContact N-O 2.89Å; Y95-R135 PolarHBondContact O-N 3.21Å; Y95-R135 WeakPolarHBondContact OH-CD 3.48Å
96	L	94.4	Very high	88.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.3	163.2	-174.3	72.3	0	0	0	109.1	F81 L84 L86 L98 K111 Y112 V132 Q133 F134 F145 L147	F81-L96 HydrophobicContact CE1-CD2 3.36Å; F81-L96 HydrophobicContact CZ-CD2 3.52Å; L84-L96 HydrophobicContact CD1-CB 4.46Å; L84-L96 HydrophobicContact CD1-CD2 4.07Å; L86-L96 HydrophobicContact CD1-CB 3.93Å; L96-L98 HydrophobicContact CD2-CD1 4.41Å; L96-L98 HydrophobicContact CG-CD1 4.3Å; L96-K111 CarbonylContact O-C 3.59Å; L96-K111 WeakPolarHBondContact O-CA 3.43Å; L96-Y112 PolarHBondContact N-O 2.98Å; L96-Y112 PolarHBondContact O-N 2.97Å; L96-V132 HydrophobicContact CD1-CG1 3.83Å; L96-Q133 CarbonylContact C-O 3.58Å; L96-Q133 WeakPolarHBondContact CA-O 3.33Å; L96-F134 HydrophobicContact CB-CD2 4.46Å; L96-F134 HydrophobicContact CD1-CB 3.77Å; L96-F134 HydrophobicContact CD1-CD2 4.17Å; L96-F134 HydrophobicContact CD1-CG 4.39Å; L96-F145 HydrophobicContact CD1-CD1 4.15Å; L96-F145 HydrophobicContact CD1-CE1 3.82Å; L96-F145 HydrophobicContact CD1-CE2 4.23Å; L96-F145 HydrophobicContact CD1-CZ 3.87Å; L96-F145 HydrophobicContact CD2-CB 4.44Å; L96-F145 HydrophobicContact CD2-CD1 4.36Å; L96-F145 HydrophobicContact CD2-CD2 3.94Å; L96-F145 HydrophobicContact CD2-CE2 4.3Å; L96-F145 HydrophobicContact CD2-CG 3.98Å; L96-L147 HydrophobicContact CD2-CD2 4.16Å
97	R	95.1	Very high	89.1	Confident	50 Å²	50	53.4 Å²	53.4	19%	0.189	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.2	179.5	-80.1	177.4	155.4	146.5	-17.5	111.5	Y95 Y99 E108 V110 K111 V132 Q133	Y95-R97 HydrophobicContact CD2-CB 4.43Å; Y95-R97 HydrophobicContact CD2-CG 3.73Å; Y95-R97 HydrophobicContact CE2-CG 4.07Å; Y95-R97 VanDerWaalsContact CZ-NH1 3.3Å; Y95-R97 PolarHBondContact OH-NH1 2.94Å; R97-Y99 HydrophobicContact CB-CD2 4.34Å; R97-Y99 HydrophobicContact CB-CE2 3.73Å; R97-Y99 VanDerWaalsContact CD-OH 3.27Å; R97-Y99 WeakPolarHBondContact CD-OH 3.38Å; R97-E108 WeakPolarHBondContact CD-OE2 3.46Å; R97-E108 IonicContact CZ-OE2 2.61Å; R97-E108 VanDerWaalsContact CZ-OE2 3.3Å; R97-E108 IonicContact NE-OE2 3.79Å; R97-E108 PolarHBondContact NE-OE2 3.18Å; R97-E108 IonicContact NH2-OE2 3.41Å; R97-E108 PolarHBondContact NH2-OE2 2.83Å; R97-V110 WeakPolarHBondContact CA-O 3.05Å; R97-K111 HydrophobicContact CG-CB 3.87Å; R97-K111 HydrophobicContact CG-CD 4.4Å; R97-K111 HydrophobicContact CG-CG 3.7Å; R97-V132 CarbonylContact O-C 3.51Å; R97-V132 WeakPolarHBondContact O-CA 3.38Å; R97-Q133 HydrophobicContact CB-CB 4.5Å; R97-Q133 PolarHBondContact N-O 3.41Å; R97-Q133 PolarHBondContact O-N 2.66Å
98	L	97.1	Very high	89.8	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.7	170.2	-78.1	64.1	0	0	0	108.2	F79 F81 L96 I109 V110 I123 V132	F79-L98 HydrophobicContact CB-CD2 4.09Å; F79-L98 HydrophobicContact CD1-CD2 4.06Å; F79-L98 HydrophobicContact CD2-CD2 3.65Å; F79-L98 HydrophobicContact CE1-CD2 4.48Å; F79-L98 HydrophobicContact CE2-CD2 4.12Å; F79-L98 HydrophobicContact CG-CD2 3.64Å; F81-L98 HydrophobicContact CZ-CD1 4.36Å; L96-L98 HydrophobicContact CD2-CD1 4.41Å; L96-L98 HydrophobicContact CG-CD1 4.3Å; L98-I109 HydrophobicContact CB-CB 4.23Å; L98-I109 HydrophobicContact CB-CD1 4.24Å; L98-I109 WeakPolarHBondContact O-CB 3.5Å; L98-I109 PolarHBondContact O-N 3.17Å; L98-V110 HydrophobicContact CB-CG1 4.17Å; L98-V110 HydrophobicContact CD2-CG1 4.46Å; L98-V110 PolarHBondContact N-O 2.89Å; L98-V110 PolarHBondContact O-N 3.19Å; L98-I123 HydrophobicContact CD2-CD1 4.49Å; L98-I123 HydrophobicContact CD2-CG2 4.23Å; L98-V132 HydrophobicContact CD1-CG1 4.25Å; L98-V132 HydrophobicContact CG-CG2 4.34Å
99	Y	97.5	Very high	90.7	Very high	30 Å²	30	58.5 Å²	58.5	12%	0.118	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.1	178.5	-58	-94.3	0	0	0	111.5	R97 K106 T107 E108 V130 T131 Q133	R97-Y99 HydrophobicContact CB-CD2 4.34Å; R97-Y99 HydrophobicContact CB-CE2 3.73Å; R97-Y99 VanDerWaalsContact CD-OH 3.27Å; R97-Y99 WeakPolarHBondContact CD-OH 3.38Å; Y99-K106 HydrophobicContact CD1-CB 4.5Å; Y99-K106 HydrophobicContact CD1-CD 4.12Å; Y99-K106 HydrophobicContact CD1-CG 3.83Å; Y99-K106 HydrophobicContact CD2-CD 3.93Å; Y99-K106 HydrophobicContact CE1-CG 4.42Å; Y99-K106 HydrophobicContact CE2-CD 4.38Å; Y99-K106 HydrophobicContact CG-CB 4.38Å; Y99-K106 HydrophobicContact CG-CD 3.77Å; Y99-K106 HydrophobicContact CG-CG 3.9Å; Y99-T107 CarbonylContact C-O 3.56Å; Y99-T107 WeakPolarHBondContact CA-O 3.2Å; Y99-T107 WeakPolarHBondContact CB-O 3.34Å; Y99-E108 HydrophobicContact CD1-CB 4.04Å; Y99-E108 HydrophobicContact CD1-CG 4.45Å; Y99-E108 HydrophobicContact CE1-CB 4.1Å; Y99-E108 HydrophobicContact CE1-CG 4.31Å; Y99-V130 CarbonylContact O-C 3.57Å; Y99-V130 VanDerWaalsContact O-CA 3.22Å; Y99-V130 WeakPolarHBondContact O-CA 3.4Å; Y99-V130 WeakPolarHBondContact O-CG1 3.5Å; Y99-T131 HydrophobicContact CD2-CG2 4.4Å; Y99-T131 PolarHBondContact N-O 3.01Å; Y99-T131 PolarHBondContact O-N 2.72Å; Y99-Q133 HydrophobicContact CE2-CB 3.97Å
100	N	96.9	Very high	91.8	Very high	24 Å²	24	54.4 Å²	54.4	13%	0.128	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.3	165.9	-71.5	-58.1	0	0	0	110.4	K106 T107 I109 S125 S126	N100-K106 CarbonylContact O-C 3.52Å; N100-K106 WeakPolarHBondContact O-CA 3.5Å; N100-K106 WeakPolarHBondContact O-CB 3.45Å; N100-T107 PolarHBondContact N-O 3.33Å; N100-T107 PolarHBondContact O-N 2.84Å; N100-I109 HydrophobicContact CB-CG1 4.45Å; N100-I109 VanDerWaalsContact ND2-CG1 3.31Å; N100-I109 WeakPolarHBondContact ND2-CG1 3.22Å; N100-I109 WeakPolarHBondContact OD1-CD1 3.47Å; N100-S125 WeakPolarHBondContact OD1-CA 3.09Å; N100-S125 WeakPolarHBondContact OD1-CB 3.41Å; N100-S126 PolarHBondContact ND2-OG 3.43Å; N100-S126 PolarHBondContact OD1-N 2.85Å; N100-S126 PolarHBondContact OD1-OG 2.64Å
101	G	94.8	Very high	92.6	Very high	22 Å²	22	53 Å²	53	23%	0.227	29%	0.286	C	S	.	.	S	Bend	trans	80.3	177.1	-179.3	0	0	0	0	0	113.8	Q129 T131	G101-Q129 PolarHBondContact N-O 3.14Å; G101-T131 PolarHBondContact O-N 3.47Å; G101-T131 PolarHBondContact O-OG1 3.03Å
102	I	94	Very high	92.9	Very high	46 Å²	46	53.2 Å²	53.2	24%	0.236	28%	0.283	C	S	.	.	S	Bend	trans	-121.6	148.9	-177	-73.3	166.2	0	0	0	110.1	E68 Q129	E68-I102 HydrophobicContact CB-CD1 4Å; E68-I102 HydrophobicContact CB-CG1 4.23Å; E68-I102 VanDerWaalsContact CD-CG2 3.43Å; E68-I102 HydrophobicContact CG-CD1 4.43Å; E68-I102 HydrophobicContact CG-CG1 4.2Å; E68-I102 HydrophobicContact CG-CG2 4.15Å; E68-I102 WeakPolarHBondContact OE1-CG2 3.25Å; E68-I102 WeakPolarHBondContact OE2-CG2 3.37Å; I102-Q129 HydrophobicContact CD1-CB 4.06Å; I102-Q129 HydrophobicContact CD1-CG 4.11Å; I102-Q129 HydrophobicContact CG1-CB 4.21Å
103	G	89.6	Confident	93.1	Very high	34 Å²	34	47.8 Å²	47.8	35%	0.351	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	75.4	-148.5	175.5	0	0	0	0	0	114	K105 K106	G103-K105 VanDerWaalsContact C-N 3.32Å; G103-K105 PolarHBondContact O-N 2.68Å; G103-K106 WeakPolarHBondContact O-CD 3.1Å; G103-K106 VanDerWaalsContact O-CG 3.27Å; G103-K106 WeakPolarHBondContact O-CG 3.47Å
104	S	87.9	Confident	93.1	Very high	129 Å²	129	46 Å²	46	90%	0.902	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-77	-8.6	-169.7	51.5	0	0	0	0	115.7
105	K	90.2	Very high	92.8	Very high	194 Å²	194	51.1 Å²	51.1	84%	0.843	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-101.2	11.6	177.6	-65.9	-171.3	176.3	-174.3	0	113.4	G103	G103-K105 VanDerWaalsContact C-N 3.32Å; G103-K105 PolarHBondContact O-N 2.68Å
106	K	94.8	Very high	92.3	Very high	47 Å²	47	54.6 Å²	54.6	20%	0.204	30%	0.297	C	S	.	.			trans	-71.1	139	-176.7	72.3	-173.6	178.2	-179.8	0	111.9	E66 Y99 N100 G103 T131	E66-K106 IonicContact OE1-NZ 3.84Å; E66-K106 IonicContact OE2-NZ 2.68Å; E66-K106 PolarHBondContact OE2-NZ 2.9Å; Y99-K106 HydrophobicContact CD1-CB 4.5Å; Y99-K106 HydrophobicContact CD1-CD 4.12Å; Y99-K106 HydrophobicContact CD1-CG 3.83Å; Y99-K106 HydrophobicContact CD2-CD 3.93Å; Y99-K106 HydrophobicContact CE1-CG 4.42Å; Y99-K106 HydrophobicContact CE2-CD 4.38Å; Y99-K106 HydrophobicContact CG-CB 4.38Å; Y99-K106 HydrophobicContact CG-CD 3.77Å; Y99-K106 HydrophobicContact CG-CG 3.9Å; N100-K106 CarbonylContact O-C 3.52Å; N100-K106 WeakPolarHBondContact O-CA 3.5Å; N100-K106 WeakPolarHBondContact O-CB 3.45Å; G103-K106 WeakPolarHBondContact O-CD 3.1Å; G103-K106 VanDerWaalsContact O-CG 3.27Å; G103-K106 WeakPolarHBondContact O-CG 3.47Å; K106-T131 HydrophobicContact CD-CG2 4.16Å
107	T	96.6	Very high	91.7	Very high	83 Å²	83	58.3 Å²	58.3	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.1	178.8	56.4	0	0	0	0	110.7	Y99 N100 I109	Y99-T107 CarbonylContact C-O 3.56Å; Y99-T107 WeakPolarHBondContact CA-O 3.2Å; Y99-T107 WeakPolarHBondContact CB-O 3.34Å; N100-T107 PolarHBondContact N-O 3.33Å; N100-T107 PolarHBondContact O-N 2.84Å; T107-I109 PolarHBondContact O-N 3.17Å
108	E	96.4	Very high	91.2	Very high	94 Å²	94	64.1 Å²	64.1	44%	0.439	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.5	-176.9	-164.1	170.3	101.6	0	0	110.4	R97 Y99	R97-E108 WeakPolarHBondContact CD-OE2 3.46Å; R97-E108 IonicContact CZ-OE2 2.61Å; R97-E108 VanDerWaalsContact CZ-OE2 3.3Å; R97-E108 IonicContact NE-OE2 3.79Å; R97-E108 PolarHBondContact NE-OE2 3.18Å; R97-E108 IonicContact NH2-OE2 3.41Å; R97-E108 PolarHBondContact NH2-OE2 2.83Å; Y99-E108 HydrophobicContact CD1-CB 4.04Å; Y99-E108 HydrophobicContact CD1-CG 4.45Å; Y99-E108 HydrophobicContact CE1-CB 4.1Å; Y99-E108 HydrophobicContact CE1-CG 4.31Å
109	I	95.6	Very high	90.6	Very high	48 Å²	48	65.1 Å²	65.1	25%	0.246	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-56.6	170.4	-60.6	167.7	0	0	0	108.1	L98 N100 T107 I123 V130	L98-I109 HydrophobicContact CB-CB 4.23Å; L98-I109 HydrophobicContact CB-CD1 4.24Å; L98-I109 WeakPolarHBondContact O-CB 3.5Å; L98-I109 PolarHBondContact O-N 3.17Å; N100-I109 HydrophobicContact CB-CG1 4.45Å; N100-I109 VanDerWaalsContact ND2-CG1 3.31Å; N100-I109 WeakPolarHBondContact ND2-CG1 3.22Å; N100-I109 WeakPolarHBondContact OD1-CD1 3.47Å; T107-I109 PolarHBondContact O-N 3.17Å; I109-I123 HydrophobicContact CG2-CG2 3.64Å; I109-V130 HydrophobicContact CD1-CG2 4.3Å
110	V	94.3	Very high	89.7	Confident	33 Å²	33	71.1 Å²	71.1	20%	0.2	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	153.6	-176.3	65.3	0	0	0	0	110.5	R97 L98 Y112 I123	R97-V110 WeakPolarHBondContact CA-O 3.05Å; L98-V110 HydrophobicContact CB-CG1 4.17Å; L98-V110 HydrophobicContact CD2-CG1 4.46Å; L98-V110 PolarHBondContact N-O 2.89Å; L98-V110 PolarHBondContact O-N 3.19Å; V110-Y112 HydrophobicContact CB-CE2 4.27Å; V110-Y112 HydrophobicContact CG1-CD2 4.2Å; V110-Y112 HydrophobicContact CG1-CE2 3.52Å; V110-Y112 HydrophobicContact CG2-CD1 4.36Å; V110-Y112 HydrophobicContact CG2-CD2 4.25Å; V110-Y112 HydrophobicContact CG2-CE1 3.84Å; V110-Y112 HydrophobicContact CG2-CE2 3.69Å; V110-Y112 VanDerWaalsContact CG2-CZ 3.46Å; V110-I123 HydrophobicContact CG1-CD1 4.31Å; V110-I123 HydrophobicContact CG1-CG2 4.08Å
111	K	93.5	Very high	88.9	Confident	54 Å²	54	77.5 Å²	77.5	24%	0.235	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.4	173.8	-178.4	-174.1	-171.3	-170.7	0	109	C91 L96 R97	C91-K111 WeakPolarHBondContact O-CE 3.43Å; C91-K111 PolarHBondContact O-NZ 3.34Å; L96-K111 CarbonylContact O-C 3.59Å; L96-K111 WeakPolarHBondContact O-CA 3.43Å; R97-K111 HydrophobicContact CG-CB 3.87Å; R97-K111 HydrophobicContact CG-CD 4.4Å; R97-K111 HydrophobicContact CG-CG 3.7Å
112	Y	91.8	Very high	88.3	Confident	32 Å²	32	79.6 Å²	79.6	13%	0.125	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.3	176.6	-63.3	-67.9	0	0	0	112.4	F81 L84 Y95 L96 V110 Q117 V119 I123	F81-Y112 HydrophobicContact CE2-CD2 4.32Å; F81-Y112 AromaticContact CE2-CE2 3.92Å; F81-Y112 HydrophobicContact CE2-CE2 3.92Å; F81-Y112 HydrophobicContact CZ-CD2 4.29Å; F81-Y112 HydrophobicContact CZ-CE2 4.34Å; L84-Y112 HydrophobicContact CD2-CD1 4.18Å; L84-Y112 HydrophobicContact CD2-CD2 3.91Å; L84-Y112 HydrophobicContact CD2-CG 3.66Å; Y95-Y112 VanDerWaalsContact CA-O 3.25Å; Y95-Y112 WeakPolarHBondContact CA-O 3.35Å; Y95-Y112 WeakPolarHBondContact CB-O 3.48Å; L96-Y112 PolarHBondContact N-O 2.98Å; L96-Y112 PolarHBondContact O-N 2.97Å; V110-Y112 HydrophobicContact CB-CE2 4.27Å; V110-Y112 HydrophobicContact CG1-CD2 4.2Å; V110-Y112 HydrophobicContact CG1-CE2 3.52Å; V110-Y112 HydrophobicContact CG2-CD1 4.36Å; V110-Y112 HydrophobicContact CG2-CD2 4.25Å; V110-Y112 HydrophobicContact CG2-CE1 3.84Å; V110-Y112 HydrophobicContact CG2-CE2 3.69Å; V110-Y112 VanDerWaalsContact CG2-CZ 3.46Å; Y112-Q117 VanDerWaalsContact CD1-OE1 3.25Å; Y112-V119 HydrophobicContact CD1-CG2 4.38Å; Y112-V119 HydrophobicContact CE1-CG1 4.42Å; Y112-V119 HydrophobicContact CE1-CG2 3.97Å; Y112-V119 WeakPolarHBondContact OH-CG1 3.25Å; Y112-I123 HydrophobicContact CE2-CD1 3.72Å; Y112-I123 VanDerWaalsContact OH-CD1 3.29Å; Y112-I123 WeakPolarHBondContact OH-CD1 3.33Å
113	C	88.7	Confident	88.2	Confident	15 Å²	15	78.1 Å²	78.1	10%	0.101	41%	0.409	C	S	.	.			trans	-155	-169.8	167.6	62.7	0	0	0	0	107.7	C91 N94 Q117	C91-C113 WeakPolarHBondContact CA-SG 2.99Å; C91-C113 HydrophobicContact CB-CB 3.89Å; C91-C113 WeakPolarHBondContact CB-SG 3.5Å; C91-C113 PolarHBondContact N-SG 3.2Å; C91-C113 WeakPolarHBondContact SG-CB 3.3Å; C91-C113 CovalentContact SG-SG 2.02Å; C91-C113 PolarHBondContact SG-SG 2.79Å; N94-C113 WeakPolarHBondContact O-CB 3.3Å; C113-Q117 PolarHBondContact O-OE1 2.75Å; C113-Q117 VanDerWaalsContact O-OE1 3.05Å
114	G	84.9	Confident	88.5	Confident	15 Å²	15	80.5 Å²	80.5	16%	0.155	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	106.9	-178	178.3	0	0	0	0	0	113.2	L86 G87 D88	L86-G114 PolarHBondContact N-O 2.85Å; G87-G114 PolarHBondContact N-O 2.84Å; D88-G114 WeakPolarHBondContact O-CA 3.38Å; D88-G114 PolarHBondContact O-N 3.48Å
115	L	82.3	Confident	88.9	Confident	110 Å²	110	74.5 Å²	74.5	58%	0.576	37%	0.369	S	S	*	.	S	Bend	trans	-105.4	135.1	173.7	-68.8	166.6	0	0	0	108.8	D85 Q117	D85-L115 WeakPolarHBondContact OD1-CA 3.48Å; D85-L115 WeakPolarHBondContact OD1-CD2 3.42Å; L115-Q117 VanDerWaalsContact C-N 3.27Å; L115-Q117 PolarHBondContact O-N 2.81Å; L115-Q117 VanDerWaalsContact O-N 3.12Å
116	D	81.3	Confident	89.1	Confident	86 Å²	86	69.4 Å²	69.4	46%	0.46	36%	0.357	S	S	.	.	S	Bend	trans	41.5	46.5	175.2	-152	48	0	0	0	115.4	L84 D85 K118 R143	L84-D116 CarbonylContact O-C 3.55Å; D85-D116 PolarHBondContact OD1-N 3.47Å; D85-D116 VanDerWaalsContact OD1-N 3.15Å; D116-K118 PolarHBondContact O-N 2.82Å; D116-R143 IonicContact OD1-CZ 2.87Å; D116-R143 IonicContact OD1-NH2 3.47Å; D116-R143 PolarHBondContact OD1-NH2 2.86Å
117	Q	81.9	Confident	89.1	Confident	79 Å²	79	68.4 Å²	68.4	37%	0.369	36%	0.361	S	S	.	.			trans	-74.2	113.6	-174.2	-176.9	156.7	72.7	0	0	111.1	L84 Y112 C113 L115 V119	L84-Q117 PolarHBondContact O-N 2.97Å; Y112-Q117 VanDerWaalsContact CD1-OE1 3.25Å; C113-Q117 PolarHBondContact O-OE1 2.75Å; C113-Q117 VanDerWaalsContact O-OE1 3.05Å; L115-Q117 VanDerWaalsContact C-N 3.27Å; L115-Q117 PolarHBondContact O-N 2.81Å; L115-Q117 VanDerWaalsContact O-N 3.12Å; Q117-V119 HydrophobicContact CG-CG2 4.15Å; Q117-V119 PolarHBondContact O-N 2.69Å
118	K	84.2	Confident	89	Confident	171 Å²	171	66.4 Å²	66.4	74%	0.743	35%	0.347	S	S	*	.			trans	-75	121.5	170.9	-62.6	-172.3	179.4	-174.9	0	109.9	D116	D116-K118 PolarHBondContact O-N 2.82Å
119	V	86.1	Confident	89	Confident	22 Å²	22	65.6 Å²	65.6	13%	0.133	34%	0.343	C	S	.	.			trans	-116.7	85.5	176.7	-176	0	0	0	0	107.6	F81 L84 Y112 Q117 E121 I123	F81-V119 HydrophobicContact CB-CB 4.23Å; F81-V119 HydrophobicContact CD2-CB 4.14Å; F81-V119 HydrophobicContact CD2-CG1 4.04Å; F81-V119 HydrophobicContact CD2-CG2 4.44Å; F81-V119 HydrophobicContact CG-CB 4.43Å; L84-V119 HydrophobicContact CD2-CG2 3.73Å; Y112-V119 HydrophobicContact CD1-CG2 4.38Å; Y112-V119 HydrophobicContact CE1-CG1 4.42Å; Y112-V119 HydrophobicContact CE1-CG2 3.97Å; Y112-V119 WeakPolarHBondContact OH-CG1 3.25Å; Q117-V119 HydrophobicContact CG-CG2 4.15Å; Q117-V119 PolarHBondContact O-N 2.69Å; V119-E121 VanDerWaalsContact C-N 3.33Å; V119-I123 HydrophobicContact CG1-CD1 4.17Å
120	D	78.3	Confident	89.1	Confident	155 Å²	155	63.3 Å²	63.3	83%	0.829	33%	0.331	S	S	*	.			trans	-79.8	-17.8	-178.7	-59.6	-37.6	0	0	0	112.4
121	E	80.2	Confident	89.2	Confident	159 Å²	159	61.7 Å²	61.7	74%	0.743	32%	0.322	S	S	*	.	S	Bend	trans	-81.6	136.2	179.1	-170.5	173.8	-168	0	0	112.1	V119 I123	V119-E121 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.27Å
122	L	82.1	Confident	89.4	Confident	65 Å²	65	59.1 Å²	59.1	34%	0.34	31%	0.311	S	S	.	.			trans	-81.2	110.2	178	-172.8	72.9	0	0	0	110.2	H78	H78-L122 HydrophobicContact CB-CD1 4.01Å; H78-L122 HydrophobicContact CB-CD2 4.12Å; H78-L122 HydrophobicContact CB-CG 3.88Å
123	I	92.1	Very high	89.5	Confident	16 Å²	16	59 Å²	59	8%	0.082	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.7	-176.3	-54.7	145.7	0	0	0	109.4	H78 F79 F81 L98 I109 V110 Y112 V119 E121	H78-I123 CarbonylContact C-O 3.57Å; H78-I123 WeakPolarHBondContact CA-O 3.44Å; H78-I123 WeakPolarHBondContact CB-O 3.02Å; F79-I123 HydrophobicContact CB-CB 4.39Å; F79-I123 PolarHBondContact N-O 2.82Å; F79-I123 PolarHBondContact O-N 3.17Å; F81-I123 HydrophobicContact CD2-CD1 4Å; F81-I123 HydrophobicContact CE2-CD1 3.54Å; L98-I123 HydrophobicContact CD2-CD1 4.49Å; L98-I123 HydrophobicContact CD2-CG2 4.23Å; I109-I123 HydrophobicContact CG2-CG2 3.64Å; V110-I123 HydrophobicContact CG1-CD1 4.31Å; V110-I123 HydrophobicContact CG1-CG2 4.08Å; Y112-I123 HydrophobicContact CE2-CD1 3.72Å; Y112-I123 VanDerWaalsContact OH-CD1 3.29Å; Y112-I123 WeakPolarHBondContact OH-CD1 3.33Å; V119-I123 HydrophobicContact CG1-CD1 4.17Å; E121-I123 PolarHBondContact O-N 3.27Å
124	E	95.1	Very high	89.8	Confident	84 Å²	84	58.3 Å²	58.3	39%	0.393	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.3	176.9	-61.3	-161.6	142.7	0	0	113.6	R76 I77 H78	R76-E124 IonicContact CZ-OE2 3.3Å; R76-E124 IonicContact NH1-OE2 3.14Å; R76-E124 PolarHBondContact NH1-OE2 3.35Å; R76-E124 IonicContact NH2-OE1 3.17Å; R76-E124 PolarHBondContact NH2-OE1 3.01Å; R76-E124 IonicContact NH2-OE2 2.69Å; R76-E124 PolarHBondContact NH2-OE2 2.84Å; I77-E124 CarbonylContact O-C 3.54Å; I77-E124 WeakPolarHBondContact O-CA 2.98Å; H78-E124 HydrophobicContact CB-CG 4.23Å
125	S	96.4	Very high	90.2	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.014	32%	0.316	C	S	.	.			trans	-84.6	157.8	164.4	74.8	0	0	0	0	112	R76 I77 N100 G127 V130	R76-S125 WeakPolarHBondContact CD-O 3.48Å; R76-S125 PolarHBondContact NH1-O 2.72Å; I77-S125 PolarHBondContact N-OG 2.89Å; I77-S125 PolarHBondContact O-N 3.13Å; I77-S125 PolarHBondContact O-OG 2.82Å; N100-S125 WeakPolarHBondContact OD1-CA 3.09Å; N100-S125 WeakPolarHBondContact OD1-CB 3.41Å; S125-G127 PolarHBondContact OG-O 2.74Å; S125-V130 VanDerWaalsContact CB-CG2 3.5Å
126	S	95.4	Very high	90.6	Very high	87 Å²	87	56.9 Å²	56.9	61%	0.608	29%	0.289	S	S	*	.	S	Bend	trans	-87	-18.7	170.3	62.2	0	0	0	0	113.1	N100	N100-S126 PolarHBondContact ND2-OG 3.43Å; N100-S126 PolarHBondContact OD1-N 2.85Å; N100-S126 PolarHBondContact OD1-OG 2.64Å
127	G	93.9	Very high	90.9	Very high	27 Å²	27	54.4 Å²	54.4	28%	0.278	28%	0.277	S	S	.	.	S	Bend	trans	-138.6	-179.4	-178.4	0	0	0	0	0	114.3	S125 Q129	S125-G127 PolarHBondContact OG-O 2.74Å; G127-Q129 VanDerWaalsContact C-N 3.26Å; G127-Q129 PolarHBondContact O-N 3.45Å
128	N	95.3	Very high	90.8	Very high	41 Å²	41	56.3 Å²	56.3	22%	0.219	29%	0.287	C	S	.	.	S	Bend	trans	-84.3	7.9	-175.2	77.6	-72.7	0	0	0	114.5	T70 V71 K75	T70-N128 WeakPolarHBondContact CA-O 3.05Å; V71-N128 HydrophobicContact CG2-CB 3.93Å; V71-N128 PolarHBondContact N-O 3.02Å; V71-N128 PolarHBondContact O-ND2 3.16Å; K75-N128 VanDerWaalsContact O-CA 3.25Å; K75-N128 WeakPolarHBondContact O-CA 3.16Å; K75-N128 WeakPolarHBondContact O-CB 3.01Å
129	Q	96.2	Very high	90.5	Very high	76 Å²	76	49.6 Å²	49.6	36%	0.355	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.5	-179.4	-69	-172.6	-26.6	0	0	109.3	I69 T70 G101 I102 G127	I69-Q129 WeakPolarHBondContact O-CA 3.31Å; T70-Q129 HydrophobicContact CG2-CG 4.07Å; G101-Q129 PolarHBondContact N-O 3.14Å; I102-Q129 HydrophobicContact CD1-CB 4.06Å; I102-Q129 HydrophobicContact CD1-CG 4.11Å; I102-Q129 HydrophobicContact CG1-CB 4.21Å; G127-Q129 VanDerWaalsContact C-N 3.26Å; G127-Q129 PolarHBondContact O-N 3.45Å
130	V	97	Very high	89.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.2	176.3	165.2	0	0	0	0	109.8	I69 I77 F79 Y99 I109 S125 V132	I69-V130 PolarHBondContact N-O 2.86Å; I69-V130 PolarHBondContact O-N 2.99Å; I77-V130 HydrophobicContact CD1-CB 4.15Å; I77-V130 HydrophobicContact CD1-CG2 3.97Å; F79-V130 HydrophobicContact CE1-CG1 4.42Å; F79-V130 HydrophobicContact CE2-CG1 4.13Å; F79-V130 HydrophobicContact CE2-CG2 4.08Å; F79-V130 HydrophobicContact CZ-CB 3.99Å; F79-V130 HydrophobicContact CZ-CG1 3.59Å; F79-V130 HydrophobicContact CZ-CG2 4.03Å; Y99-V130 CarbonylContact O-C 3.57Å; Y99-V130 VanDerWaalsContact O-CA 3.22Å; Y99-V130 WeakPolarHBondContact O-CA 3.4Å; Y99-V130 WeakPolarHBondContact O-CG1 3.5Å; I109-V130 HydrophobicContact CD1-CG2 4.3Å; S125-V130 VanDerWaalsContact CB-CG2 3.5Å; V130-V132 HydrophobicContact CG1-CG2 4.02Å
131	T	96.9	Very high	89.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.5	163.7	-65.7	0	0	0	0	109.6	E66 W67 Y99 G101 K106	E66-T131 HydrophobicContact CG-CG2 3.37Å; W67-T131 CarbonylContact O-C 3.56Å; W67-T131 VanDerWaalsContact O-CA 3.27Å; W67-T131 WeakPolarHBondContact O-CA 3.35Å; Y99-T131 HydrophobicContact CD2-CG2 4.4Å; Y99-T131 PolarHBondContact N-O 3.01Å; Y99-T131 PolarHBondContact O-N 2.72Å; G101-T131 PolarHBondContact O-N 3.47Å; G101-T131 PolarHBondContact O-OG1 3.03Å; K106-T131 HydrophobicContact CD-CG2 4.16Å
132	V	96.8	Very high	89.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125	169.6	-174.7	0	0	0	0	107.8	L50 E66 W67 I69 F79 L96 R97 L98 V130 L147	L50-V132 HydrophobicContact CD1-CB 3.85Å; L50-V132 HydrophobicContact CD1-CG1 3.94Å; L50-V132 HydrophobicContact CD1-CG2 3.73Å; E66-V132 CarbonylContact C-O 3.41Å; E66-V132 WeakPolarHBondContact CA-O 3.4Å; W67-V132 HydrophobicContact CB-CB 4.37Å; W67-V132 HydrophobicContact CE3-CB 4.28Å; W67-V132 HydrophobicContact CE3-CG1 4.22Å; W67-V132 PolarHBondContact N-O 2.94Å; W67-V132 PolarHBondContact O-N 2.68Å; I69-V132 HydrophobicContact CD1-CG2 3.96Å; F79-V132 HydrophobicContact CE1-CG2 4.28Å; L96-V132 HydrophobicContact CD1-CG1 3.83Å; R97-V132 CarbonylContact O-C 3.51Å; R97-V132 WeakPolarHBondContact O-CA 3.38Å; L98-V132 HydrophobicContact CD1-CG1 4.25Å; L98-V132 HydrophobicContact CG-CG2 4.34Å; V130-V132 HydrophobicContact CG1-CG2 4.02Å; V132-L147 HydrophobicContact CG1-CD2 4.48Å
133	Q	95.3	Very high	89.9	Confident	30 Å²	30	51.1 Å²	51.1	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.4	179.8	-178.1	-179.6	92	0	0	110	C65 E66 L96 R97 Y99	C65-Q133 CarbonylContact O-C 3.58Å; C65-Q133 WeakPolarHBondContact O-CA 3.36Å; E66-Q133 PolarHBondContact OE2-NE2 3.34Å; L96-Q133 CarbonylContact C-O 3.58Å; L96-Q133 WeakPolarHBondContact CA-O 3.33Å; R97-Q133 HydrophobicContact CB-CB 4.5Å; R97-Q133 PolarHBondContact N-O 3.41Å; R97-Q133 PolarHBondContact O-N 2.66Å; Y99-Q133 HydrophobicContact CE2-CB 3.97Å
134	F	94.6	Very high	89.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.9	169.5	179.8	-124.9	0	0	0	110	H59 V64 C65 W67 L86 Y95 L96 F145	H59-F134 AromaticContact CD2-CE1 3.95Å; H59-F134 AromaticContact CD2-CZ 3.44Å; H59-F134 VanDerWaalsContact CD2-CZ 3.44Å; H59-F134 WeakPolarHBondContact CD2-CZ 3.46Å; H59-F134 AromaticContact NE2-CZ 3.74Å; V64-F134 WeakPolarHBondContact CA-O 3.39Å; C65-F134 HydrophobicContact CB-CB 4.36Å; C65-F134 PolarHBondContact N-O 2.84Å; C65-F134 PolarHBondContact O-N 3.45Å; C65-F134 VanDerWaalsContact O-O 3.09Å; W67-F134 HydrophobicContact CH2-CB 4.47Å; W67-F134 HydrophobicContact CZ3-CB 3.91Å; L86-F134 HydrophobicContact CD1-CE2 4.13Å; L86-F134 HydrophobicContact CD2-CE2 3.68Å; L86-F134 HydrophobicContact CD2-CZ 4.32Å; L86-F134 HydrophobicContact CG-CE2 4.49Å; Y95-F134 WeakPolarHBondContact O-CD2 3.48Å; L96-F134 HydrophobicContact CB-CD2 4.46Å; L96-F134 HydrophobicContact CD1-CB 3.77Å; L96-F134 HydrophobicContact CD1-CD2 4.17Å; L96-F134 HydrophobicContact CD1-CG 4.39Å; F134-F145 HydrophobicContact CB-CE1 3.84Å; F134-F145 HydrophobicContact CB-CZ 4.44Å; F134-F145 HydrophobicContact CD1-CE1 4.06Å; F134-F145 HydrophobicContact CD2-CD1 4.08Å; F134-F145 AromaticContact CD2-CE1 3.95Å; F134-F145 HydrophobicContact CD2-CE1 3.95Å; F134-F145 HydrophobicContact CE2-CD1 4.4Å; F134-F145 HydrophobicContact CG-CD1 4.24Å; F134-F145 AromaticContact CG-CE1 3.66Å; F134-F145 HydrophobicContact CG-CE1 3.66Å
135	R	92.8	Very high	89.7	Confident	94 Å²	94	46.4 Å²	46.4	36%	0.355	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133	171.4	179.5	174.3	-178.8	-177.4	-2.6	109.2	V64 N94 Y95 V137	V64-R135 HydrophobicContact CG2-CG 4.19Å; N94-R135 CarbonylContact C-O 3.49Å; N94-R135 VanDerWaalsContact CA-O 3.31Å; N94-R135 WeakPolarHBondContact CA-O 3.44Å; Y95-R135 HydrophobicContact CD2-CB 4.28Å; Y95-R135 HydrophobicContact CE1-CB 4.26Å; Y95-R135 HydrophobicContact CE1-CG 4.48Å; Y95-R135 HydrophobicContact CE2-CB 3.87Å; Y95-R135 PolarHBondContact N-O 2.89Å; Y95-R135 PolarHBondContact O-N 3.21Å; Y95-R135 WeakPolarHBondContact OH-CD 3.48Å; R135-V137 HydrophobicContact CG-CG2 4.19Å
136	S	90.8	Very high	89.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.8	168.4	-172.6	0	0	0	0	107.6	H59 P60 D62 T63 N94 H139	H59-S136 PolarHBondContact CD2-OG 3.35Å; H59-S136 VanDerWaalsContact CD2-OG 3.23Å; H59-S136 PolarHBondContact NE2-OG 2.83Å; P60-S136 WeakPolarHBondContact O-CB 3.13Å; P60-S136 PolarHBondContact O-OG 2.78Å; D62-S136 CarbonylContact C-O 3.54Å; D62-S136 WeakPolarHBondContact CA-O 3.31Å; D62-S136 PolarHBondContact N-O 2.8Å; T63-S136 PolarHBondContact N-O 2.85Å; T63-S136 PolarHBondContact O-N 3.31Å; N94-S136 VanDerWaalsContact OD1-CA 3.28Å; N94-S136 WeakPolarHBondContact OD1-CA 3.28Å; N94-S136 PolarHBondContact OD1-OG 2.92Å; S136-H139 PolarHBondContact OG-CE1 2.91Å; S136-H139 VanDerWaalsContact OG-CE1 3.32Å; S136-H139 PolarHBondContact OG-ND1 2.79Å
137	V	87.3	Confident	89.5	Confident	33 Å²	33	42.2 Å²	42.2	20%	0.2	20%	0.197	C	C	.	.	S	Bend	trans	-116.8	-62.3	176.6	-178.4	0	0	0	0	108.6	S61 D62 V93 N94 R135	S61-V137 VanDerWaalsContact CB-O 3.31Å; S61-V137 WeakPolarHBondContact CB-O 3.35Å; D62-V137 PolarHBondContact N-O 2.98Å; V93-V137 HydrophobicContact CB-CB 4.17Å; V93-V137 HydrophobicContact CB-CG2 4.31Å; V93-V137 WeakPolarHBondContact O-CG2 3.27Å; N94-V137 PolarHBondContact OD1-N 2.8Å; R135-V137 HydrophobicContact CG-CG2 4.19Å
138	M	81.1	Confident	89.6	Confident	119 Å²	119	41 Å²	41	59%	0.586	18%	0.184	S	C	*	.	S	Bend	trans	-140.8	120.2	-179.4	-74.2	-77	139.9	0	0	109.1	D62 N94	D62-M138 WeakPolarHBondContact OD2-CE 3.49Å; N94-M138 PolarHBondContact ND2-O 2.81Å; N94-M138 PolarHBondContact OD1-N 3Å
139	H	76	Confident	89.7	Confident	31 Å²	31	39 Å²	39	14%	0.144	17%	0.174	C	C	.	.			trans	-143.8	163.3	171.5	64.9	-88.7	0	0	0	109.9	T58 H59 S61 S136 T141	T58-H139 WeakPolarHBondContact CG2-NE2 3.12Å; H59-H139 AromaticContact CD2-CE1 3.3Å; H59-H139 PolarHBondContact CD2-CE1 2.02Å; H59-H139 AromaticContact CD2-ND1 3.81Å; H59-H139 AromaticContact CD2-NE2 3.94Å; H59-H139 AromaticContact CE1-CD2 3.83Å; H59-H139 AromaticContact CE1-CE1 3.54Å; H59-H139 AromaticContact CE1-CG 3.83Å; H59-H139 AromaticContact CE1-ND1 3.68Å; H59-H139 AromaticContact CE1-NE2 3.67Å; H59-H139 AromaticContact CG-CE1 3.86Å; H59-H139 AromaticContact ND1-CE1 3.98Å; H59-H139 AromaticContact ND1-NE2 3.89Å; H59-H139 AromaticContact NE2-CE1 3.14Å; H59-H139 PolarHBondContact NE2-CE1 2.8Å; H59-H139 AromaticContact NE2-CG 3.79Å; H59-H139 AromaticContact NE2-ND1 3.19Å; H59-H139 PolarHBondContact NE2-ND1 3.48Å; H59-H139 VanDerWaalsContact NE2-ND1 3.19Å; H59-H139 AromaticContact NE2-NE2 3.75Å; H59-H139 PolarHBondContact O-CE1 2.83Å; H59-H139 PolarHBondContact O-NE2 3.41Å; S61-H139 PolarHBondContact OG-CE1 2.95Å; S61-H139 PolarHBondContact OG-ND1 2.84Å; S136-H139 PolarHBondContact OG-CE1 2.91Å; S136-H139 VanDerWaalsContact OG-CE1 3.32Å; S136-H139 PolarHBondContact OG-ND1 2.79Å; H139-T141 PolarHBondContact CD2-O 2.91Å
140	R	70.1	Confident	89.7	Confident	243 Å²	243	35.4 Å²	35.4	92%	0.917	16%	0.157	S	C	*	.	S	Bend	trans	-111.1	-18.9	176.5	-65.1	-174.3	179.6	-169	0.3	113.6
141	T	76.7	Confident	89.7	Confident	75 Å²	75	35.7 Å²	35.7	46%	0.46	16%	0.158	S	C	.	.			trans	-147.6	170.8	-174.5	50.3	0	0	0	0	108.7	G87 H139	G87-T141 WeakPolarHBondContact CA-O 3.4Å; H139-T141 PolarHBondContact CD2-O 2.91Å
142	G	81.4	Confident	89.5	Confident	6 Å²	6	37.5 Å²	37.5	6%	0.062	17%	0.17	C	C	.	.			trans	118.8	113.1	173.5	0	0	0	0	0	113.3	T58 H59 D85 G144	T58-G142 WeakPolarHBondContact CA-O 3.22Å; H59-G142 PolarHBondContact N-O 2.89Å; H59-G142 PolarHBondContact ND1-O 2.94Å; D85-G142 CarbonylContact O-C 3.59Å; D85-G142 WeakPolarHBondContact O-CA 3.39Å; D85-G142 WeakPolarHBondContact OD2-CA 3.35Å; G142-G144 PolarHBondContact O-N 2.91Å
143	R	87.7	Confident	89.3	Confident	109 Å²	109	43 Å²	43	41%	0.411	20%	0.195	S	C	.	.			trans	-68.3	3.4	-179	-61	179.7	-70.9	168.1	-2.5	114.6	N55 R57 L83 D85 D116	N55-R143 PolarHBondContact ND2-O 3.29Å; R57-R143 CarbonylContact O-C 3.51Å; L83-R143 HydrophobicContact CD1-CB 4.49Å; L83-R143 VanDerWaalsContact CD1-CZ 3.48Å; L83-R143 HydrophobicContact CD2-CB 3.82Å; D85-R143 HydrophobicContact CB-CB 4.25Å; D85-R143 PolarHBondContact O-N 2.02Å; D85-R143 WeakPolarHBondContact OD2-CB 3.47Å; D85-R143 WeakPolarHBondContact OD2-CG 3.31Å; D85-R143 PolarHBondContact OD2-N 3.46Å; D85-R143 IonicContact OD2-NE 2.73Å; D85-R143 PolarHBondContact OD2-NE 3.38Å; D116-R143 IonicContact OD1-CZ 2.87Å; D116-R143 IonicContact OD1-NH2 3.47Å; D116-R143 PolarHBondContact OD1-NH2 2.86Å
144	G	90.8	Very high	89.2	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.5	-137.1	-178.6	0	0	0	0	0	111.1	S52 D85 G142	S52-G144 WeakPolarHBondContact OG-CA 3.48Å; D85-G144 CarbonylContact C-O 3.49Å; D85-G144 PolarHBondContact N-O 2.9Å; D85-G144 WeakPolarHBondContact O-CA 3.29Å; D85-G144 PolarHBondContact O-N 3.01Å; G142-G144 PolarHBondContact O-N 2.91Å
145	F	92.3	Very high	89	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.7	179.5	76.5	-84.4	0	0	0	112.7	L50 S51 S52 W67 F81 L83 L84 L86 L96 F134 L147	L50-F145 HydrophobicContact CB-CE2 4.06Å; S51-F145 WeakPolarHBondContact CA-O 3.34Å; S51-F145 VanDerWaalsContact CB-O 3.31Å; S51-F145 WeakPolarHBondContact CB-O 3.49Å; S52-F145 PolarHBondContact N-O 3.4Å; S52-F145 VanDerWaalsContact N-O 3.09Å; S52-F145 PolarHBondContact OG-N 2.9Å; S52-F145 VanDerWaalsContact OG-N 3.07Å; W67-F145 HydrophobicContact CH2-CE1 4.11Å; W67-F145 AromaticContact CH2-CZ 3.54Å; W67-F145 HydrophobicContact CH2-CZ 3.54Å; W67-F145 HydrophobicContact CZ2-CZ 4.5Å; W67-F145 HydrophobicContact CZ3-CE1 4.26Å; W67-F145 AromaticContact CZ3-CZ 3.63Å; W67-F145 HydrophobicContact CZ3-CZ 3.63Å; F81-F145 HydrophobicContact CE1-CD2 4.47Å; L83-F145 VanDerWaalsContact O-CA 3.28Å; L83-F145 WeakPolarHBondContact O-CA 3.47Å; L83-F145 WeakPolarHBondContact O-CB 3.45Å; L84-F145 HydrophobicContact CD1-CB 3.81Å; L86-F145 HydrophobicContact CD2-CB 4.48Å; L96-F145 HydrophobicContact CD1-CD1 4.15Å; L96-F145 HydrophobicContact CD1-CE1 3.82Å; L96-F145 HydrophobicContact CD1-CE2 4.23Å; L96-F145 HydrophobicContact CD1-CZ 3.87Å; L96-F145 HydrophobicContact CD2-CB 4.44Å; L96-F145 HydrophobicContact CD2-CD1 4.36Å; L96-F145 HydrophobicContact CD2-CD2 3.94Å; L96-F145 HydrophobicContact CD2-CE2 4.3Å; L96-F145 HydrophobicContact CD2-CG 3.98Å; F134-F145 HydrophobicContact CB-CE1 3.84Å; F134-F145 HydrophobicContact CB-CZ 4.44Å; F134-F145 HydrophobicContact CD1-CE1 4.06Å; F134-F145 HydrophobicContact CD2-CD1 4.08Å; F134-F145 AromaticContact CD2-CE1 3.95Å; F134-F145 HydrophobicContact CD2-CE1 3.95Å; F134-F145 HydrophobicContact CE2-CD1 4.4Å; F134-F145 HydrophobicContact CG-CD1 4.24Å; F134-F145 AromaticContact CG-CE1 3.66Å; F134-F145 HydrophobicContact CG-CE1 3.66Å; F145-L147 HydrophobicContact CD2-CB 4.49Å; F145-L147 HydrophobicContact CD2-CD2 3.99Å; F145-L147 HydrophobicContact CD2-CG 4.2Å; F145-L147 HydrophobicContact CE2-CD2 3.86Å; F145-L147 HydrophobicContact CE2-CG 4.1Å
146	Y	93.2	Very high	89.1	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.5	166.1	-166.2	-75.6	0	0	0	108	T49 N55 A82 L83 C160 T182	T49-Y146 HydrophobicContact CG2-CE1 4.04Å; N55-Y146 WeakPolarHBondContact OD1-CD2 3.25Å; A82-Y146 HydrophobicContact CB-CD1 3.92Å; A82-Y146 HydrophobicContact CB-CG 4.5Å; A82-Y146 PolarHBondContact N-O 2.97Å; L83-Y146 PolarHBondContact N-O 2.96Å; L83-Y146 PolarHBondContact O-N 2.84Å; Y146-C160 HydrophobicContact CE1-CB 3.93Å; Y146-C160 WeakPolarHBondContact OH-CB 3.49Å; Y146-C160 PolarHBondContact OH-SG 3.05Å; Y146-T182 PolarHBondContact OH-OG1 3.32Å
147	L	94.1	Very high	89.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.1	178.6	74.7	78.4	0	0	0	111.6	T49 L50 F79 R80 F81 L96 V132 F145	T49-L147 WeakPolarHBondContact CA-O 3.48Å; L50-L147 HydrophobicContact CB-CD1 4.06Å; L50-L147 HydrophobicContact CB-CG 4.07Å; L50-L147 HydrophobicContact CD1-CD1 4Å; L50-L147 HydrophobicContact CD1-CD2 4.45Å; L50-L147 HydrophobicContact CD1-CG 4.45Å; L50-L147 HydrophobicContact CG-CD1 3.95Å; L50-L147 HydrophobicContact CG-CG 4.46Å; L50-L147 PolarHBondContact N-O 3.34Å; L50-L147 PolarHBondContact O-N 3.41Å; F79-L147 HydrophobicContact CD1-CD1 3.99Å; R80-L147 WeakPolarHBondContact O-CA 3.17Å; F81-L147 HydrophobicContact CD1-CB 3.79Å; F81-L147 HydrophobicContact CD1-CD2 4.48Å; F81-L147 HydrophobicContact CE1-CB 3.77Å; F81-L147 HydrophobicContact CE1-CD2 3.62Å; F81-L147 HydrophobicContact CE1-CG 4.34Å; F81-L147 HydrophobicContact CG-CB 4.31Å; F81-L147 HydrophobicContact CZ-CB 4.28Å; F81-L147 HydrophobicContact CZ-CD2 3.66Å; L96-L147 HydrophobicContact CD2-CD2 4.16Å; V132-L147 HydrophobicContact CG1-CD2 4.48Å; F145-L147 HydrophobicContact CD2-CB 4.49Å; F145-L147 HydrophobicContact CD2-CD2 3.99Å; F145-L147 HydrophobicContact CD2-CG 4.2Å; F145-L147 HydrophobicContact CE2-CD2 3.86Å; F145-L147 HydrophobicContact CE2-CG 4.1Å
148	S	96.1	Very high	89.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.9	174.4	-58.7	0	0	0	0	109.1	G48 F79 R80	G48-S148 WeakPolarHBondContact O-CA 3.38Å; F79-S148 WeakPolarHBondContact CA-O 3.27Å; R80-S148 PolarHBondContact N-O 3.23Å; R80-S148 PolarHBondContact O-N 2.92Å
149	Y	96.7	Very high	90.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.7	174.4	76.4	-94.8	0	0	0	111.3	L43 G44 S47 G48 I69 I77 H78 F79	L43-Y149 WeakPolarHBondContact CA-OH 3.26Å; L43-Y149 HydrophobicContact CD2-CE1 4.31Å; G44-Y149 PolarHBondContact N-OH 3.47Å; G44-Y149 VanDerWaalsContact N-OH 3.1Å; G44-Y149 PolarHBondContact O-OH 3.05Å; S47-Y149 CarbonylContact C-O 3.48Å; S47-Y149 WeakPolarHBondContact CA-O 3.36Å; S47-Y149 VanDerWaalsContact CB-O 3.26Å; S47-Y149 WeakPolarHBondContact CB-O 3.31Å; G48-Y149 VanDerWaalsContact CA-CE1 3.43Å; G48-Y149 PolarHBondContact N-O 3.37Å; G48-Y149 WeakPolarHBondContact O-CD1 3.46Å; G48-Y149 PolarHBondContact O-N 2.9Å; I69-Y149 HydrophobicContact CD1-CD1 3.84Å; I69-Y149 HydrophobicContact CD1-CE1 3.87Å; I69-Y149 HydrophobicContact CD1-CG 4.2Å; I69-Y149 HydrophobicContact CG1-CE1 4.3Å; I69-Y149 HydrophobicContact CG2-CD2 4.19Å; I69-Y149 HydrophobicContact CG2-CE1 4.38Å; I69-Y149 HydrophobicContact CG2-CE2 3.61Å; I77-Y149 HydrophobicContact CG2-CD2 3.84Å; I77-Y149 HydrophobicContact CG2-CG 4.29Å; H78-Y149 VanDerWaalsContact O-CA 3.25Å; H78-Y149 WeakPolarHBondContact O-CA 3.4Å; H78-Y149 WeakPolarHBondContact O-CB 3.27Å; F79-Y149 HydrophobicContact CE1-CG 4.22Å
150	S	96.8	Very high	91.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	172.6	165.4	62.8	0	0	0	0	111.5	S46 I77 H78 H154	S46-S150 CarbonylContact O-C 3.51Å; S46-S150 WeakPolarHBondContact O-CA 3.34Å; S46-S150 WeakPolarHBondContact O-CB 3.44Å; I77-S150 WeakPolarHBondContact CA-O 3.14Å; H78-S150 PolarHBondContact N-O 3.19Å; H78-S150 PolarHBondContact NE2-OG 2.81Å; H78-S150 PolarHBondContact O-N 2.94Å; H78-S150 VanDerWaalsContact O-N 3.17Å; S150-H154 PolarHBondContact OG-O 3.41Å
151	T	96.1	Very high	92.4	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	150.1	169.9	51.1	0	0	0	0	110.8	S46 V71 K75 R76 H78 E153 H154	S46-T151 PolarHBondContact O-N 3.33Å; V71-T151 HydrophobicContact CB-CG2 4.03Å; V71-T151 HydrophobicContact CG1-CG2 4.08Å; V71-T151 HydrophobicContact CG2-CG2 4.29Å; K75-T151 HydrophobicContact CB-CG2 4.01Å; K75-T151 HydrophobicContact CG-CG2 4.37Å; R76-T151 VanDerWaalsContact O-CA 3.29Å; R76-T151 WeakPolarHBondContact O-CA 3.12Å; H78-T151 PolarHBondContact CE1-O 3.34Å; T151-E153 PolarHBondContact O-N 2.85Å; T151-H154 PolarHBondContact O-N 2.87Å
152	T	94	Very high	93.3	Very high	39 Å²	39	24.5 Å²	24.5	24%	0.239	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-0.5	179.3	56.4	0	0	0	0	115.3	R76 H78 H154	R76-T152 HydrophobicContact CB-CG2 3.79Å; R76-T152 PolarHBondContact O-N 2.88Å; H78-T152 HydrophobicContact CB-CG2 4.37Å; H78-T152 WeakPolarHBondContact ND1-CA 3.33Å; T152-H154 VanDerWaalsContact C-N 3.27Å
153	E	92.6	Very high	94	Very high	114 Å²	114	26.8 Å²	26.8	53%	0.533	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-9.4	170.3	-57.7	-173.3	117	0	0	112.9	K75 T151	K75-E153 HydrophobicContact CD-CG 4.41Å; K75-E153 WeakPolarHBondContact CD-OE2 3.41Å; K75-E153 WeakPolarHBondContact CE-OE2 3.49Å; K75-E153 IonicContact NZ-OE1 3.2Å; K75-E153 PolarHBondContact NZ-OE1 3.42Å; K75-E153 IonicContact NZ-OE2 2.84Å; K75-E153 PolarHBondContact NZ-OE2 2.85Å; T151-E153 PolarHBondContact O-N 2.85Å
154	H	92.8	Very high	94.4	Very high	51 Å²	51	22.1 Å²	22.1	24%	0.236	12%	0.121	C	C	.	.			trans	-120.8	56.1	-176.1	-60.6	-32.4	0	0	0	109.9	H78 S150 T151 T152 D156 L157 Y175	H78-H154 VanDerWaalsContact CE1-C 3.47Å; H78-H154 PolarHBondContact CE1-O 2.65Å; H78-H154 PolarHBondContact NE2-O 3.03Å; S150-H154 PolarHBondContact OG-O 3.41Å; T151-H154 PolarHBondContact O-N 2.87Å; T152-H154 VanDerWaalsContact C-N 3.27Å; H154-D156 PolarHBondContact O-N 2.92Å; H154-L157 WeakPolarHBondContact O-CB 3.29Å; H154-L157 PolarHBondContact O-N 2.89Å; H154-L157 VanDerWaalsContact O-N 3.1Å; H154-Y175 HydrophobicContact CB-CD1 3.94Å; H154-Y175 HydrophobicContact CB-CD2 3.83Å; H154-Y175 HydrophobicContact CB-CE1 4.33Å; H154-Y175 HydrophobicContact CB-CE2 4.21Å; H154-Y175 HydrophobicContact CB-CG 3.67Å; H154-Y175 AromaticContact CD2-CD2 3.74Å; H154-Y175 AromaticContact CD2-CE1 3.89Å; H154-Y175 AromaticContact CD2-CE2 3.21Å; H154-Y175 WeakPolarHBondContact CD2-CE2 3.47Å; H154-Y175 AromaticContact CD2-CZ 3.29Å; H154-Y175 AromaticContact CE1-CE2 3.71Å; H154-Y175 AromaticContact CG-CD2 3.48Å; H154-Y175 VanDerWaalsContact CG-CD2 3.48Å; H154-Y175 AromaticContact CG-CE2 3.49Å; H154-Y175 VanDerWaalsContact CG-CE2 3.49Å; H154-Y175 AromaticContact CG-CG 3.87Å; H154-Y175 AromaticContact CG-CZ 3.89Å; H154-Y175 AromaticContact ND1-CD2 3.73Å; H154-Y175 AromaticContact ND1-CE2 3.79Å; H154-Y175 AromaticContact NE2-CE2 3.35Å; H154-Y175 WeakPolarHBondContact NE2-CE2 3.36Å; H154-Y175 AromaticContact NE2-CZ 3.73Å
155	S	90.6	Very high	94.5	Very high	91 Å²	91	25.1 Å²	25.1	64%	0.636	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.8	-177.5	55.6	0	0	0	0	113.9	L157	S155-L157 PolarHBondContact O-N 3.17Å
156	D	94	Very high	94.7	Very high	36 Å²	36	29.1 Å²	29.1	19%	0.193	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	22	171.4	60	-23.1	0	0	0	113.3	H154 I158 K174 Y175 K218	H154-D156 PolarHBondContact O-N 2.92Å; D156-I158 PolarHBondContact O-N 3.41Å; D156-K174 WeakPolarHBondContact O-CA 3.41Å; D156-Y175 PolarHBondContact O-N 3.34Å; D156-K218 WeakPolarHBondContact OD2-CE 3.37Å; D156-K218 IonicContact OD2-NZ 2.65Å; D156-K218 PolarHBondContact OD2-NZ 3.35Å
157	L	96.1	Very high	94.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-56.5	126.1	175.9	178.1	67	0	0	0	111.7	R80 H154 S155 Y175 P177	R80-L157 HydrophobicContact CB-CD2 4.07Å; R80-L157 HydrophobicContact CB-CG 4.47Å; R80-L157 VanDerWaalsContact CD-O 3.22Å; R80-L157 WeakPolarHBondContact CD-O 3.46Å; R80-L157 PolarHBondContact NH1-O 2.89Å; H154-L157 WeakPolarHBondContact O-CB 3.29Å; H154-L157 PolarHBondContact O-N 2.89Å; H154-L157 VanDerWaalsContact O-N 3.1Å; S155-L157 PolarHBondContact O-N 3.17Å; L157-Y175 HydrophobicContact CD1-CD1 3.99Å; L157-P177 HydrophobicContact CD1-CB 4.16Å; L157-P177 HydrophobicContact CD1-CG 4.44Å
158	I	95.9	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.			trans	-111.5	168	168	54.1	166.8	0	0	0	110.3	D156 D162 F167 K174 Y175 P177 L201 C202 I219	D156-I158 PolarHBondContact O-N 3.41Å; I158-D162 WeakPolarHBondContact CA-OD2 3.24Å; I158-D162 HydrophobicContact CB-CB 4.25Å; I158-D162 WeakPolarHBondContact CB-OD2 3.5Å; I158-F167 HydrophobicContact CG2-CE1 4.19Å; I158-F167 HydrophobicContact CG2-CE2 4.45Å; I158-F167 HydrophobicContact CG2-CZ 3.61Å; I158-K174 HydrophobicContact CB-CB 4.43Å; I158-K174 HydrophobicContact CD1-CB 3.74Å; I158-K174 HydrophobicContact CD1-CG 4.25Å; I158-K174 HydrophobicContact CG1-CB 3.85Å; I158-K174 HydrophobicContact CG2-CB 3.76Å; I158-K174 HydrophobicContact CG2-CD 3.78Å; I158-K174 HydrophobicContact CG2-CG 3.74Å; I158-Y175 WeakPolarHBondContact CG1-O 3.17Å; I158-Y175 PolarHBondContact N-O 3.19Å; I158-P177 WeakPolarHBondContact O-CD 3.32Å; I158-L201 HydrophobicContact CD1-CB 4.15Å; I158-L201 HydrophobicContact CD1-CD1 4.04Å; I158-C202 WeakPolarHBondContact CD1-SG 3.09Å; I158-I219 HydrophobicContact CD1-CD1 4.24Å
159	T	95	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.			trans	-94.6	166.4	174.9	92.2	0	0	0	0	111.7	R80 A82 L161 D162	R80-T159 HydrophobicContact CB-CG2 4.36Å; R80-T159 HydrophobicContact CG-CG2 3.75Å; A82-T159 HydrophobicContact CB-CG2 3.76Å; A82-T159 VanDerWaalsContact CB-OG1 3.24Å; A82-T159 WeakPolarHBondContact CB-OG1 3.11Å; T159-L161 PolarHBondContact O-N 2.96Å; T159-L161 PolarHBondContact OG1-N 3.1Å; T159-L161 VanDerWaalsContact OG1-N 3.1Å; T159-D162 WeakPolarHBondContact CB-OD1 3.44Å; T159-D162 WeakPolarHBondContact CG2-OD1 3.44Å; T159-D162 VanDerWaalsContact N-CG 3.32Å; T159-D162 PolarHBondContact N-OD2 3.35Å; T159-D162 PolarHBondContact O-N 3.18Å; T159-D162 PolarHBondContact OG1-N 3.16Å; T159-D162 PolarHBondContact OG1-OD1 3.29Å
160	C	95.1	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.6	174.8	-56.6	0	0	0	0	114.5	T49 Y146 C180	T49-C160 WeakPolarHBondContact CG2-SG 3.44Å; Y146-C160 HydrophobicContact CE1-CB 3.93Å; Y146-C160 WeakPolarHBondContact OH-CB 3.49Å; Y146-C160 PolarHBondContact OH-SG 3.05Å; C160-C180 HydrophobicContact CB-CB 3.55Å; C160-C180 WeakPolarHBondContact CB-SG 3.35Å; C160-C180 WeakPolarHBondContact SG-CA 3.31Å; C160-C180 WeakPolarHBondContact SG-CB 3.21Å; C160-C180 CovalentContact SG-SG 2.03Å; C160-C180 PolarHBondContact SG-SG 3.05Å
161	L	93.4	Very high	94.7	Very high	40 Å²	40	48.2 Å²	48.2	21%	0.209	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-12.1	175.7	-53.8	-173.3	0	0	0	112.7	A82 T159 S183 E185	A82-L161 HydrophobicContact CB-CB 4.19Å; A82-L161 HydrophobicContact CB-CD1 3.74Å; A82-L161 HydrophobicContact CB-CG 3.95Å; T159-L161 PolarHBondContact O-N 2.96Å; T159-L161 PolarHBondContact OG1-N 3.1Å; T159-L161 VanDerWaalsContact OG1-N 3.1Å; L161-S183 WeakPolarHBondContact CD2-OG 3.4Å; L161-E185 HydrophobicContact CD2-CG 4.35Å
162	D	95.3	Very high	94.8	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	28%	0.278	C	S	.	.			trans	-68.2	130.3	-179.2	-58.2	5.6	0	0	0	109.9	R80 I158 T159 F167 L201	R80-D162 IonicContact NE-OD2 2.72Å; I158-D162 WeakPolarHBondContact CA-OD2 3.24Å; I158-D162 HydrophobicContact CB-CB 4.25Å; I158-D162 WeakPolarHBondContact CB-OD2 3.5Å; T159-D162 WeakPolarHBondContact CB-OD1 3.44Å; T159-D162 WeakPolarHBondContact CG2-OD1 3.44Å; T159-D162 VanDerWaalsContact N-CG 3.32Å; T159-D162 PolarHBondContact N-OD2 3.35Å; T159-D162 PolarHBondContact O-N 3.18Å; T159-D162 PolarHBondContact OG1-N 3.16Å; T159-D162 PolarHBondContact OG1-OD1 3.29Å; D162-F167 HydrophobicContact CB-CE2 4.07Å; D162-F167 HydrophobicContact CB-CZ 4.2Å; D162-L201 PolarHBondContact O-N 2.66Å
163	K	95.8	Very high	94.9	Very high	54 Å²	54	48.9 Å²	48.9	24%	0.235	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-105	162.7	-170.2	-71.6	161.6	-168	-176.3	0	112.2	S165 D166 F167 E185 S198	K163-S165 WeakPolarHBondContact CB-OG 3.35Å; K163-S165 PolarHBondContact O-N 3.27Å; K163-D166 PolarHBondContact N-OD2 3.34Å; K163-D166 WeakPolarHBondContact O-CB 3.21Å; K163-D166 PolarHBondContact O-N 3.09Å; K163-D166 VanDerWaalsContact O-N 3.09Å; K163-F167 VanDerWaalsContact O-CD2 3.28Å; K163-F167 WeakPolarHBondContact O-CD2 3.14Å; K163-F167 WeakPolarHBondContact O-CE2 3.46Å; K163-E185 WeakPolarHBondContact CE-OE1 3.43Å; K163-E185 WeakPolarHBondContact CE-OE2 3.39Å; K163-E185 IonicContact NZ-OE1 2.64Å; K163-E185 PolarHBondContact NZ-OE1 3.1Å; K163-E185 IonicContact NZ-OE2 2.74Å; K163-E185 PolarHBondContact NZ-OE2 3.12Å; K163-S198 WeakPolarHBondContact CD-O 3.21Å
164	G	94.8	Very high	95.2	Very high	10 Å²	10	45.2 Å²	45.2	10%	0.103	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.1	-32.1	173.9	0	0	0	0	0	112.9	D166 E197 S199	G164-D166 PolarHBondContact O-N 3Å; G164-E197 CarbonylContact C-O 3.59Å; G164-E197 VanDerWaalsContact CA-O 3.24Å; G164-E197 WeakPolarHBondContact CA-O 3.26Å; G164-E197 PolarHBondContact N-O 2.91Å; G164-S199 PolarHBondContact N-O 2.74Å
165	S	94.9	Very high	95.4	Very high	64 Å²	64	43.3 Å²	43.3	45%	0.448	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-63.3	-20	174.9	50.9	0	0	0	0	115	K163 F167 E197	K163-S165 WeakPolarHBondContact CB-OG 3.35Å; K163-S165 PolarHBondContact O-N 3.27Å; S165-F167 VanDerWaalsContact C-N 3.26Å; S165-F167 PolarHBondContact O-N 2.87Å; S165-E197 PolarHBondContact N-O 2.89Å
166	D	95.3	Very high	95.7	Very high	84 Å²	84	39 Å²	39	45%	0.449	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-87.3	-4	-170.1	-50.9	-13.3	0	0	0	111.6	K163 G164	K163-D166 PolarHBondContact N-OD2 3.34Å; K163-D166 WeakPolarHBondContact O-CB 3.21Å; K163-D166 PolarHBondContact O-N 3.09Å; K163-D166 VanDerWaalsContact O-N 3.09Å; G164-D166 PolarHBondContact O-N 3Å
167	F	95.6	Very high	95.8	Very high	23 Å²	23	37.3 Å²	37.3	10%	0.101	21%	0.214	C	C	.	.			trans	-128.6	97.6	-177.7	-55.4	-74.9	0	0	0	109.2	I158 D162 K163 S165 E169 F172 K174 L201	I158-F167 HydrophobicContact CG2-CE1 4.19Å; I158-F167 HydrophobicContact CG2-CE2 4.45Å; I158-F167 HydrophobicContact CG2-CZ 3.61Å; D162-F167 HydrophobicContact CB-CE2 4.07Å; D162-F167 HydrophobicContact CB-CZ 4.2Å; K163-F167 VanDerWaalsContact O-CD2 3.28Å; K163-F167 WeakPolarHBondContact O-CD2 3.14Å; K163-F167 WeakPolarHBondContact O-CE2 3.46Å; S165-F167 VanDerWaalsContact C-N 3.26Å; S165-F167 PolarHBondContact O-N 2.87Å; F167-E169 VanDerWaalsContact C-OE2 3.27Å; F167-E169 WeakPolarHBondContact CA-OE2 3.33Å; F167-E169 PolarHBondContact O-N 3.29Å; F167-F172 HydrophobicContact CB-CD1 3.9Å; F167-F172 HydrophobicContact CB-CD2 4.39Å; F167-F172 HydrophobicContact CB-CE1 3.45Å; F167-F172 VanDerWaalsContact CB-CE1 3.45Å; F167-F172 HydrophobicContact CB-CE2 3.97Å; F167-F172 HydrophobicContact CB-CG 4.35Å; F167-F172 HydrophobicContact CB-CZ 3.48Å; F167-F172 VanDerWaalsContact CB-CZ 3.48Å; F167-F172 HydrophobicContact CD2-CE2 4.11Å; F167-F172 AromaticContact CD2-CZ 3.98Å; F167-F172 HydrophobicContact CD2-CZ 3.98Å; F167-F172 HydrophobicContact CG-CE1 4.35Å; F167-F172 HydrophobicContact CG-CE2 4Å; F167-F172 AromaticContact CG-CZ 3.91Å; F167-F172 HydrophobicContact CG-CZ 3.91Å; F167-K174 HydrophobicContact CD1-CD 4.37Å; F167-K174 HydrophobicContact CE1-CD 4.04Å; F167-L201 HydrophobicContact CD2-CD1 3.5Å; F167-L201 VanDerWaalsContact CD2-CD1 3.5Å; F167-L201 HydrophobicContact CE2-CD1 3.49Å; F167-L201 VanDerWaalsContact CE2-CD1 3.49Å
168	P	93.9	Very high	95.8	Very high	123 Å²	123	37.3 Å²	37.3	80%	0.799	21%	0.214	S	C	*	.			trans	-74.4	-6.2	-175.1	31.4	-37	0	0	0	113.9
169	E	95.9	Very high	95.6	Very high	82 Å²	82	37.3 Å²	37.3	38%	0.383	21%	0.214	S	C	.	.			trans	-68.7	138.3	-178.5	-53.1	98.6	128.4	0	0	112.4	F167 E171 F172	F167-E169 VanDerWaalsContact C-OE2 3.27Å; F167-E169 WeakPolarHBondContact CA-OE2 3.33Å; F167-E169 PolarHBondContact O-N 3.29Å; E169-E171 PolarHBondContact O-N 3.3Å; E169-F172 HydrophobicContact CB-CB 4.16Å; E169-F172 HydrophobicContact CB-CD1 4.17Å; E169-F172 WeakPolarHBondContact O-CD1 3.2Å
170	A	95.1	Very high	95.6	Very high	74 Å²	74	37.3 Å²	37.3	61%	0.612	21%	0.214	S	C	*	.	S	Bend	trans	-66.9	-34.4	-178.8	0	0	0	0	0	113.6	V222 S223	A170-V222 WeakPolarHBondContact O-CA 3.34Å; A170-S223 PolarHBondContact O-N 3.14Å
171	E	97.3	Very high	95.4	Very high	102 Å²	102	40.2 Å²	40.2	48%	0.477	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.7	166.8	-178.4	175.9	159.9	0	0	108.6	E169 T220 V221 V222 K253	E169-E171 PolarHBondContact O-N 3.3Å; E171-T220 HydrophobicContact CG-CG2 4.25Å; E171-T220 WeakPolarHBondContact OE1-CG2 3.46Å; E171-V221 WeakPolarHBondContact CA-O 3.26Å; E171-V222 HydrophobicContact CG-CG2 4.11Å; E171-K253 WeakPolarHBondContact OE1-CD 3.5Å; E171-K253 IonicContact OE1-NZ 2.65Å; E171-K253 PolarHBondContact OE1-NZ 2.79Å; E171-K253 IonicContact OE2-NZ 3.79Å; E171-K253 PolarHBondContact OE2-NZ 3.31Å
172	F	97	Very high	94.6	Very high	16 Å²	16	40.3 Å²	40.3	7%	0.07	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	168	177.3	61.3	-96.5	0	0	0	111.9	F167 E169 K174 L201 T220 V221	F167-F172 HydrophobicContact CB-CD1 3.9Å; F167-F172 HydrophobicContact CB-CD2 4.39Å; F167-F172 HydrophobicContact CB-CE1 3.45Å; F167-F172 VanDerWaalsContact CB-CE1 3.45Å; F167-F172 HydrophobicContact CB-CE2 3.97Å; F167-F172 HydrophobicContact CB-CG 4.35Å; F167-F172 HydrophobicContact CB-CZ 3.48Å; F167-F172 VanDerWaalsContact CB-CZ 3.48Å; F167-F172 HydrophobicContact CD2-CE2 4.11Å; F167-F172 AromaticContact CD2-CZ 3.98Å; F167-F172 HydrophobicContact CD2-CZ 3.98Å; F167-F172 HydrophobicContact CG-CE1 4.35Å; F167-F172 HydrophobicContact CG-CE2 4Å; F167-F172 AromaticContact CG-CZ 3.91Å; F167-F172 HydrophobicContact CG-CZ 3.91Å; E169-F172 HydrophobicContact CB-CB 4.16Å; E169-F172 HydrophobicContact CB-CD1 4.17Å; E169-F172 WeakPolarHBondContact O-CD1 3.2Å; F172-K174 HydrophobicContact CD2-CD 4.46Å; F172-K174 HydrophobicContact CD2-CG 3.83Å; F172-K174 HydrophobicContact CE2-CG 4.01Å; F172-L201 HydrophobicContact CE2-CD1 3.85Å; F172-L201 HydrophobicContact CZ-CD1 3.97Å; F172-L201 HydrophobicContact CZ-CD2 4.43Å; F172-T220 WeakPolarHBondContact O-CA 3.37Å; F172-V221 HydrophobicContact CD1-CB 4.43Å; F172-V221 HydrophobicContact CD2-CB 4.03Å; F172-V221 HydrophobicContact CD2-CG2 4.26Å; F172-V221 HydrophobicContact CE1-CB 4.03Å; F172-V221 HydrophobicContact CE1-CG1 3.95Å; F172-V221 HydrophobicContact CE2-CB 3.62Å; F172-V221 HydrophobicContact CE2-CG1 4.13Å; F172-V221 HydrophobicContact CE2-CG2 3.66Å; F172-V221 HydrophobicContact CG-CB 4.44Å; F172-V221 HydrophobicContact CZ-CB 3.62Å; F172-V221 HydrophobicContact CZ-CG1 3.61Å; F172-V221 HydrophobicContact CZ-CG2 4.01Å; F172-V221 PolarHBondContact N-O 3.15Å; F172-V221 PolarHBondContact O-N 3.18Å
173	S	97.2	Very high	93.3	Very high	41 Å²	41	40.4 Å²	40.4	29%	0.287	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143	171.1	-60.9	0	0	0	0	110.7	I219 T220	S173-I219 WeakPolarHBondContact CA-O 3.2Å; S173-I219 WeakPolarHBondContact CB-O 3.4Å; S173-T220 PolarHBondContact OG-OG1 2.88Å
174	K	97.3	Very high	92.3	Very high	38 Å²	38	42.6 Å²	42.6	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	165.6	178.2	-54.2	-67.7	167.1	175.9	0	109.6	D156 I158 F167 F172 K218 I219	D156-K174 WeakPolarHBondContact O-CA 3.41Å; I158-K174 HydrophobicContact CB-CB 4.43Å; I158-K174 HydrophobicContact CD1-CB 3.74Å; I158-K174 HydrophobicContact CD1-CG 4.25Å; I158-K174 HydrophobicContact CG1-CB 3.85Å; I158-K174 HydrophobicContact CG2-CB 3.76Å; I158-K174 HydrophobicContact CG2-CD 3.78Å; I158-K174 HydrophobicContact CG2-CG 3.74Å; F167-K174 HydrophobicContact CD1-CD 4.37Å; F167-K174 HydrophobicContact CE1-CD 4.04Å; F172-K174 HydrophobicContact CD2-CD 4.46Å; F172-K174 HydrophobicContact CD2-CG 3.83Å; F172-K174 HydrophobicContact CE2-CG 4.01Å; K174-K218 WeakPolarHBondContact O-CA 3.46Å; K174-I219 HydrophobicContact CB-CG1 4.35Å; K174-I219 PolarHBondContact N-O 2.99Å; K174-I219 VanDerWaalsContact N-O 3.08Å; K174-I219 VanDerWaalsContact O-CG1 3.31Å; K174-I219 WeakPolarHBondContact O-CG1 3.39Å; K174-I219 PolarHBondContact O-N 2.91Å
175	Y	97.5	Very high	91.8	Very high	10 Å²	10	45 Å²	45	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.9	173.9	-174.9	-84.8	0	0	0	111	S47 H154 D156 L157 I158 K218	S47-Y175 PolarHBondContact OG-OH 2.98Å; H154-Y175 HydrophobicContact CB-CD1 3.94Å; H154-Y175 HydrophobicContact CB-CD2 3.83Å; H154-Y175 HydrophobicContact CB-CE1 4.33Å; H154-Y175 HydrophobicContact CB-CE2 4.21Å; H154-Y175 HydrophobicContact CB-CG 3.67Å; H154-Y175 AromaticContact CD2-CD2 3.74Å; H154-Y175 AromaticContact CD2-CE1 3.89Å; H154-Y175 AromaticContact CD2-CE2 3.21Å; H154-Y175 WeakPolarHBondContact CD2-CE2 3.47Å; H154-Y175 AromaticContact CD2-CZ 3.29Å; H154-Y175 AromaticContact CE1-CE2 3.71Å; H154-Y175 AromaticContact CG-CD2 3.48Å; H154-Y175 VanDerWaalsContact CG-CD2 3.48Å; H154-Y175 AromaticContact CG-CE2 3.49Å; H154-Y175 VanDerWaalsContact CG-CE2 3.49Å; H154-Y175 AromaticContact CG-CG 3.87Å; H154-Y175 AromaticContact CG-CZ 3.89Å; H154-Y175 AromaticContact ND1-CD2 3.73Å; H154-Y175 AromaticContact ND1-CE2 3.79Å; H154-Y175 AromaticContact NE2-CE2 3.35Å; H154-Y175 WeakPolarHBondContact NE2-CE2 3.36Å; H154-Y175 AromaticContact NE2-CZ 3.73Å; D156-Y175 PolarHBondContact O-N 3.34Å; L157-Y175 HydrophobicContact CD1-CD1 3.99Å; I158-Y175 WeakPolarHBondContact CG1-O 3.17Å; I158-Y175 PolarHBondContact N-O 3.19Å; Y175-K218 HydrophobicContact CD2-CB 4.34Å
176	C	97.4	Very high	91.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.6	173.3	-77.6	0	0	0	0	111.1	C202 V211 G216 G217	C176-C202 WeakPolarHBondContact CA-SG 3.47Å; C176-C202 HydrophobicContact CB-CB 3.75Å; C176-C202 WeakPolarHBondContact CB-SG 3.42Å; C176-C202 WeakPolarHBondContact SG-CA 3.3Å; C176-C202 WeakPolarHBondContact SG-CB 3.35Å; C176-C202 CovalentContact SG-SG 2.04Å; C176-C202 PolarHBondContact SG-SG 3.01Å; C176-V211 HydrophobicContact CB-CG2 4.43Å; C176-G216 CarbonylContact O-C 3.58Å; C176-G216 VanDerWaalsContact O-CA 3.3Å; C176-G216 WeakPolarHBondContact O-CA 3.46Å; C176-G217 PolarHBondContact N-O 2.98Å; C176-G217 PolarHBondContact O-N 3.43Å
177	P	96.6	Very high	91.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-72.5	162.5	175.3	33.3	-37.1	0	0	0	111.4	T49 L157 I158	T49-P177 HydrophobicContact CG2-CB 4.24Å; T49-P177 HydrophobicContact CG2-CG 4.01Å; L157-P177 HydrophobicContact CD1-CB 4.16Å; L157-P177 HydrophobicContact CD1-CG 4.44Å; I158-P177 WeakPolarHBondContact O-CD 3.32Å
178	A	94.8	Very high	91.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-68.4	146.4	165.1	0	0	0	0	0	110.9	V42 S47 G48 T49 N213 A214	V42-A178 HydrophobicContact CG1-CB 3.92Å; S47-A178 PolarHBondContact OG-N 3.34Å; G48-A178 CarbonylContact C-O 3.6Å; G48-A178 WeakPolarHBondContact CA-O 3.4Å; T49-A178 WeakPolarHBondContact CG2-O 3.5Å; T49-A178 PolarHBondContact N-O 3.17Å; T49-A178 PolarHBondContact OG1-O 3.29Å; A178-N213 CarbonylContact C-O 3.57Å; A178-N213 WeakPolarHBondContact CA-O 3.37Å; A178-A214 WeakPolarHBondContact CB-O 3.03Å
179	G	93.3	Very high	91.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.			trans	90.2	28.9	170.8	0	0	0	0	0	116.9	V42 T49 T182 N213	V42-G179 VanDerWaalsContact CG2-CA 3.47Å; T49-G179 PolarHBondContact OG1-O 2.94Å; G179-T182 PolarHBondContact O-OG1 3.3Å; G179-N213 VanDerWaalsContact CA-OD1 3.29Å; G179-N213 WeakPolarHBondContact CA-OD1 3.29Å; G179-N213 PolarHBondContact N-O 3.02Å; G179-N213 PolarHBondContact N-OD1 2.84Å
180	C	94.3	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-77.1	-13.9	176.9	-65.6	0	0	0	0	115.4	C160 T182 S183 C202 V203 I206 N213	C160-C180 HydrophobicContact CB-CB 3.55Å; C160-C180 WeakPolarHBondContact CB-SG 3.35Å; C160-C180 WeakPolarHBondContact SG-CA 3.31Å; C160-C180 WeakPolarHBondContact SG-CB 3.21Å; C160-C180 CovalentContact SG-SG 2.03Å; C160-C180 PolarHBondContact SG-SG 3.05Å; C180-T182 PolarHBondContact O-N 3.29Å; C180-T182 VanDerWaalsContact O-N 3.1Å; C180-S183 WeakPolarHBondContact O-CB 3.28Å; C180-S183 PolarHBondContact O-N 3.49Å; C180-S183 VanDerWaalsContact O-N 3.07Å; C180-C202 HydrophobicContact CB-CB 4.18Å; C180-C202 WeakPolarHBondContact SG-CB 3.32Å; C180-V203 HydrophobicContact CB-CG2 4.31Å; C180-I206 HydrophobicContact CB-CD1 3.91Å; C180-N213 PolarHBondContact N-OD1 3.18Å
181	L	90.7	Very high	91.7	Very high	60 Å²	60	35.6 Å²	35.6	31%	0.314	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-72.8	6.2	173.6	-58.1	-170.9	0	0	0	114.1	S183 V203 I206 N213 V238	L181-S183 VanDerWaalsContact C-N 3.34Å; L181-V203 HydrophobicContact CD2-CG1 4.36Å; L181-I206 HydrophobicContact CD1-CG2 4.26Å; L181-I206 HydrophobicContact CD2-CB 4.44Å; L181-I206 HydrophobicContact CD2-CD1 3.95Å; L181-I206 HydrophobicContact CD2-CG2 4.11Å; L181-I206 HydrophobicContact CG-CD1 4.15Å; L181-I206 HydrophobicContact CG-CG2 4.39Å; L181-N213 HydrophobicContact CD1-CB 3.92Å; L181-N213 HydrophobicContact CG-CB 3.93Å; L181-N213 PolarHBondContact N-OD1 3.44Å; L181-V238 HydrophobicContact CD1-CG2 4.1Å; L181-V238 HydrophobicContact CD2-CG2 3.43Å; L181-V238 VanDerWaalsContact CD2-CG2 3.43Å; L181-V238 HydrophobicContact CG-CG2 4.41Å
182	T	76.6	Confident	91.5	Very high	43 Å²	43	35.6 Å²	35.6	26%	0.264	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-82.2	-13.9	165.5	60.1	0	0	0	0	112.7	P40 Y146 G179 C180	P40-T182 HydrophobicContact CB-CG2 3.52Å; Y146-T182 PolarHBondContact OH-OG1 3.32Å; G179-T182 PolarHBondContact O-OG1 3.3Å; C180-T182 PolarHBondContact O-N 3.29Å; C180-T182 VanDerWaalsContact O-N 3.1Å
183	S	68.8	Low	91.4	Very high	22 Å²	22	38.9 Å²	38.9	15%	0.154	22%	0.216	C	C	.	.			trans	-70.9	138.8	177.2	-176.4	0	0	0	0	111.5	L161 C180 L181 E185	L161-S183 WeakPolarHBondContact CD2-OG 3.4Å; C180-S183 WeakPolarHBondContact O-CB 3.28Å; C180-S183 PolarHBondContact O-N 3.49Å; C180-S183 VanDerWaalsContact O-N 3.07Å; L181-S183 VanDerWaalsContact C-N 3.34Å; S183-E185 VanDerWaalsContact C-N 3.28Å; S183-E185 PolarHBondContact OG-N 3.19Å
184	T	74.6	Confident	91.3	Very high	101 Å²	101	37 Å²	37	62%	0.62	20%	0.203	S	C	*	.			trans	-83.4	-3.9	172.9	56.2	0	0	0	0	113.1
185	E	83.1	Confident	91.3	Very high	60 Å²	60	35.2 Å²	35.2	28%	0.28	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-73.8	135.1	-176.3	-70.4	-140.1	-157.6	0	0	112.8	L161 K163 S183 P200	L161-E185 HydrophobicContact CD2-CG 4.35Å; K163-E185 WeakPolarHBondContact CE-OE1 3.43Å; K163-E185 WeakPolarHBondContact CE-OE2 3.39Å; K163-E185 IonicContact NZ-OE1 2.64Å; K163-E185 PolarHBondContact NZ-OE1 3.1Å; K163-E185 IonicContact NZ-OE2 2.74Å; K163-E185 PolarHBondContact NZ-OE2 3.12Å; S183-E185 VanDerWaalsContact C-N 3.28Å; S183-E185 PolarHBondContact OG-N 3.19Å; E185-P200 HydrophobicContact CB-CG 3.4Å; E185-P200 VanDerWaalsContact CB-CG 3.4Å; E185-P200 HydrophobicContact CG-CG 4.25Å
186	K	91.5	Very high	91.3	Very high	160 Å²	160	37.7 Å²	37.7	70%	0.696	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-88.1	140.9	-179.8	-66.6	174.2	173	-175	0	110.3	T241	K186-T241 HydrophobicContact CB-CG2 4.31Å; K186-T241 HydrophobicContact CD-CG2 4.08Å; K186-T241 HydrophobicContact CG-CG2 4.38Å
187	I	96.8	Very high	91.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-99.5	155.4	169.4	63.9	173	0	0	0	110	Y195 V203 A204 H207 V238 T241	I187-Y195 HydrophobicContact CD1-CD1 4.49Å; I187-Y195 HydrophobicContact CD1-CE1 4.26Å; I187-V203 HydrophobicContact CG2-CB 3.82Å; I187-V203 HydrophobicContact CG2-CG1 3.71Å; I187-A204 HydrophobicContact CG2-CB 4.17Å; I187-H207 HydrophobicContact CD1-CB 3.44Å; I187-H207 VanDerWaalsContact CD1-CB 3.44Å; I187-V238 HydrophobicContact CD1-CG1 3.85Å; I187-V238 HydrophobicContact CG1-CG1 4.43Å; I187-T241 PolarHBondContact O-N 2.65Å; I187-T241 PolarHBondContact O-OG1 3.32Å
188	S	96.8	Very high	91.1	Very high	16 Å²	16	41.4 Å²	41.4	11%	0.112	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-128.6	134.6	171	-53.8	0	0	0	0	111	Y195 R196 S199 T241	S188-Y195 CarbonylContact O-C 3.26Å; S188-Y195 VanDerWaalsContact O-CA 3.3Å; S188-Y195 WeakPolarHBondContact O-CA 3.47Å; S188-R196 PolarHBondContact O-N 2.95Å; S188-S199 PolarHBondContact N-OG 3.05Å; S188-T241 VanDerWaalsContact CA-O 3.26Å; S188-T241 WeakPolarHBondContact CA-O 3.37Å; S188-T241 WeakPolarHBondContact CB-O 3.35Å; S188-T241 PolarHBondContact OG-OG1 2.9Å
189	G	96.1	Very high	91.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.8	-177.6	-176	0	0	0	0	0	114.5	G194 Y195 E231 S240	G189-G194 CarbonylContact C-O 3.58Å; G189-G194 WeakPolarHBondContact CA-O 3.48Å; G189-Y195 WeakPolarHBondContact O-CE1 3.41Å; G189-E231 CarbonylContact C-O 3.57Å; G189-E231 WeakPolarHBondContact CA-O 3.46Å; G189-S240 WeakPolarHBondContact O-CB 3.46Å; G189-S240 PolarHBondContact O-OG 2.98Å
190	T	95.8	Very high	91.3	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.092	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	166.2	-169.9	-166.1	0	0	0	0	112.1	N193 G194 E231 T233	T190-N193 CarbonylContact O-C 3.49Å; T190-N193 PolarHBondContact O-N 3.33Å; T190-N193 VanDerWaalsContact O-N 3.12Å; T190-G194 PolarHBondContact N-O 3.38Å; T190-G194 PolarHBondContact O-N 3Å; T190-E231 HydrophobicContact CG2-CB 4.35Å; T190-T233 WeakPolarHBondContact CB-OG1 3.44Å; T190-T233 HydrophobicContact CG2-CG2 4.2Å; T190-T233 PolarHBondContact OG1-OG1 2.9Å
191	T	93.1	Very high	91.4	Very high	58 Å²	58	41.4 Å²	41.4	36%	0.356	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	130.2	177.1	-63.3	0	0	0	0	109.7	Y195 A208	T191-Y195 PolarHBondContact N-OH 3.3Å; T191-Y195 PolarHBondContact OG1-OH 3.18Å; T191-A208 WeakPolarHBondContact OG1-CB 3.35Å
192	P	92.2	Very high	91.7	Very high	103 Å²	103	38.6 Å²	38.6	67%	0.669	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	cis	-93.6	-8.7	14.2	36.6	-36.3	0	0	0	115.9	G194	P192-G194 PolarHBondContact O-N 2.84Å; P192-G194 VanDerWaalsContact O-N 3.09Å
193	N	94.2	Very high	92.7	Very high	84 Å²	84	37 Å²	37	45%	0.449	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.9	-168.3	-60.9	-12.9	0	0	0	114.8	T190 I227	T190-N193 CarbonylContact O-C 3.49Å; T190-N193 PolarHBondContact O-N 3.33Å; T190-N193 VanDerWaalsContact O-N 3.12Å; N193-I227 HydrophobicContact CB-CD1 4.38Å
194	G	95.9	Very high	94.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.6	176.2	176.2	0	0	0	0	0	113.9	G189 T190 P192 F250	G189-G194 CarbonylContact C-O 3.58Å; G189-G194 WeakPolarHBondContact CA-O 3.48Å; T190-G194 PolarHBondContact N-O 3.38Å; T190-G194 PolarHBondContact O-N 3Å; P192-G194 PolarHBondContact O-N 2.84Å; P192-G194 VanDerWaalsContact O-N 3.09Å; G194-F250 WeakPolarHBondContact CA-O 3.35Å
195	Y	97.8	Very high	95.2	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.8	-175.9	-59.1	-87.5	0	0	0	110.5	I187 S188 G189 T191 A204 H207 A208 L249 F250 F252	I187-Y195 HydrophobicContact CD1-CD1 4.49Å; I187-Y195 HydrophobicContact CD1-CE1 4.26Å; S188-Y195 CarbonylContact O-C 3.26Å; S188-Y195 VanDerWaalsContact O-CA 3.3Å; S188-Y195 WeakPolarHBondContact O-CA 3.47Å; G189-Y195 WeakPolarHBondContact O-CE1 3.41Å; T191-Y195 PolarHBondContact N-OH 3.3Å; T191-Y195 PolarHBondContact OG1-OH 3.18Å; Y195-A204 HydrophobicContact CD1-CB 3.86Å; Y195-A204 HydrophobicContact CD2-CB 4.25Å; Y195-A204 HydrophobicContact CE1-CB 4.27Å; Y195-A204 HydrophobicContact CG-CB 3.86Å; Y195-H207 AromaticContact CE1-ND1 3.42Å; Y195-H207 WeakPolarHBondContact CE1-ND1 3.39Å; Y195-H207 AromaticContact CZ-ND1 3.56Å; Y195-H207 PolarHBondContact OH-ND1 3.26Å; Y195-A208 HydrophobicContact CE2-CB 4.05Å; Y195-A208 WeakPolarHBondContact OH-CA 3.07Å; Y195-A208 WeakPolarHBondContact OH-CB 3.48Å; Y195-A208 PolarHBondContact OH-N 3.07Å; Y195-L249 CarbonylContact O-C 3.58Å; Y195-L249 WeakPolarHBondContact O-CA 3.17Å; Y195-L249 VanDerWaalsContact O-CB 3.31Å; Y195-L249 WeakPolarHBondContact O-CB 3.48Å; Y195-F250 HydrophobicContact CD2-CD2 4.4Å; Y195-F250 HydrophobicContact CD2-CE2 4.03Å; Y195-F250 HydrophobicContact CG-CE2 4.08Å; Y195-F250 HydrophobicContact CG-CZ 4.35Å; Y195-F250 PolarHBondContact N-O 2.84Å; Y195-F250 PolarHBondContact O-N 2.89Å; Y195-F252 HydrophobicContact CD2-CD2 4.25Å; Y195-F252 AromaticContact CD2-CE2 3.79Å; Y195-F252 HydrophobicContact CD2-CE2 3.79Å; Y195-F252 AromaticContact CE2-CD2 3.94Å; Y195-F252 HydrophobicContact CE2-CD2 3.94Å; Y195-F252 AromaticContact CE2-CE2 3.72Å; Y195-F252 HydrophobicContact CE2-CE2 3.72Å
196	R	96.6	Very high	95.9	Very high	62 Å²	62	28.6 Å²	28.6	23%	0.234	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	136.8	177.9	-167.2	174.2	-163.8	-82.1	-5.3	110.6	S188 S198 S199 Y230 I244 L245 S246 F250	S188-R196 PolarHBondContact O-N 2.95Å; R196-S198 PolarHBondContact NH1-OG 3.19Å; R196-S198 PolarHBondContact O-N 3.43Å; R196-S199 WeakPolarHBondContact O-CB 3.46Å; R196-S199 PolarHBondContact O-N 2.88Å; R196-S199 PolarHBondContact O-OG 3.39Å; R196-Y230 HydrophobicContact CB-CD1 4.4Å; R196-Y230 HydrophobicContact CB-CE1 4.21Å; R196-Y230 HydrophobicContact CB-CE2 4.38Å; R196-Y230 HydrophobicContact CG-CE2 4.3Å; R196-I244 PolarHBondContact NE-O 3.39Å; R196-L245 PolarHBondContact NH2-O 2.98Å; R196-S246 WeakPolarHBondContact CG-OG 3.34Å; R196-S246 VanDerWaalsContact CZ-OG 3.28Å; R196-S246 PolarHBondContact NE-OG 2.75Å; R196-S246 PolarHBondContact NH2-OG 2.83Å; R196-F250 WeakPolarHBondContact O-CE1 3.5Å
197	E	95.2	Very high	96.2	Very high	34 Å²	34	21 Å²	21	16%	0.159	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33	-177.4	68.9	-156.1	123	0	0	114.5	G164 S165 S199 S246 K247 N248	G164-E197 CarbonylContact C-O 3.59Å; G164-E197 VanDerWaalsContact CA-O 3.24Å; G164-E197 WeakPolarHBondContact CA-O 3.26Å; G164-E197 PolarHBondContact N-O 2.91Å; S165-E197 PolarHBondContact N-O 2.89Å; E197-S199 PolarHBondContact O-N 2.86Å; E197-S246 WeakPolarHBondContact OE1-CB 3.28Å; E197-S246 PolarHBondContact OE1-OG 2.92Å; E197-K247 PolarHBondContact OE1-N 3.45Å; E197-N248 HydrophobicContact CB-CB 4.22Å; E197-N248 WeakPolarHBondContact CB-O 3.45Å; E197-N248 PolarHBondContact N-O 2.78Å; E197-N248 PolarHBondContact OE1-N 2.86Å; E197-N248 WeakPolarHBondContact OE2-CB 3.38Å; E197-N248 PolarHBondContact OE2-ND2 3.15Å
198	S	94.3	Very high	96.2	Very high	46 Å²	46	21.4 Å²	21.4	32%	0.322	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-2.3	177	64.2	0	0	0	0	115.3	K163 R196	K163-S198 WeakPolarHBondContact CD-O 3.21Å; R196-S198 PolarHBondContact NH1-OG 3.19Å; R196-S198 PolarHBondContact O-N 3.43Å
199	S	96.3	Very high	96.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	13%	0.125	C	C	.	.	S	Bend	trans	-79.4	138.4	-178.8	-53.6	0	0	0	0	110.7	G164 S188 R196 E197 L201	G164-S199 PolarHBondContact N-O 2.74Å; S188-S199 PolarHBondContact N-OG 3.05Å; R196-S199 WeakPolarHBondContact O-CB 3.46Å; R196-S199 PolarHBondContact O-N 2.88Å; R196-S199 PolarHBondContact O-OG 3.39Å; E197-S199 PolarHBondContact O-N 2.86Å; S199-L201 PolarHBondContact O-N 3.39Å
200	P	96.6	Very high	96.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-56.1	125.2	170.2	-21.3	25.8	0	0	0	112	E185 C202 V203 A204	E185-P200 HydrophobicContact CB-CG 3.4Å; E185-P200 VanDerWaalsContact CB-CG 3.4Å; E185-P200 HydrophobicContact CG-CG 4.25Å; P200-C202 PolarHBondContact O-N 2.91Å; P200-V203 HydrophobicContact CB-CB 4.21Å; P200-V203 HydrophobicContact CB-CG2 4.02Å; P200-V203 PolarHBondContact O-N 2.92Å; P200-A204 WeakPolarHBondContact O-CB 3.47Å; P200-A204 PolarHBondContact O-N 2.99Å
201	L	97.1	Very high	96.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-48.4	-173	-80.7	177.5	0	0	0	112.2	I158 D162 F167 F172 S199 A204 A205 I219 V221 F250	I158-L201 HydrophobicContact CD1-CB 4.15Å; I158-L201 HydrophobicContact CD1-CD1 4.04Å; D162-L201 PolarHBondContact O-N 2.66Å; F167-L201 HydrophobicContact CD2-CD1 3.5Å; F167-L201 VanDerWaalsContact CD2-CD1 3.5Å; F167-L201 HydrophobicContact CE2-CD1 3.49Å; F167-L201 VanDerWaalsContact CE2-CD1 3.49Å; F172-L201 HydrophobicContact CE2-CD1 3.85Å; F172-L201 HydrophobicContact CZ-CD1 3.97Å; F172-L201 HydrophobicContact CZ-CD2 4.43Å; S199-L201 PolarHBondContact O-N 3.39Å; L201-A204 PolarHBondContact O-N 3Å; L201-A205 VanDerWaalsContact O-CB 3.31Å; L201-A205 WeakPolarHBondContact O-CB 3.22Å; L201-A205 PolarHBondContact O-N 2.91Å; L201-I219 HydrophobicContact CB-CD1 4.32Å; L201-V221 HydrophobicContact CD2-CG1 4.27Å; L201-V221 HydrophobicContact CD2-CG2 4.23Å; L201-F250 HydrophobicContact CD2-CD1 4.22Å; L201-F250 HydrophobicContact CD2-CD2 3.9Å; L201-F250 HydrophobicContact CD2-CE1 4.01Å; L201-F250 HydrophobicContact CD2-CE2 3.68Å; L201-F250 HydrophobicContact CD2-CG 4.17Å; L201-F250 HydrophobicContact CD2-CZ 3.74Å
202	C	97.6	Very high	96.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-73.1	-30.8	-173.6	-62.7	0	0	0	0	113.2	I158 C176 C180 P200 A205 I206	I158-C202 WeakPolarHBondContact CD1-SG 3.09Å; C176-C202 WeakPolarHBondContact CA-SG 3.47Å; C176-C202 HydrophobicContact CB-CB 3.75Å; C176-C202 WeakPolarHBondContact CB-SG 3.42Å; C176-C202 WeakPolarHBondContact SG-CA 3.3Å; C176-C202 WeakPolarHBondContact SG-CB 3.35Å; C176-C202 CovalentContact SG-SG 2.04Å; C176-C202 PolarHBondContact SG-SG 3.01Å; C180-C202 HydrophobicContact CB-CB 4.18Å; C180-C202 WeakPolarHBondContact SG-CB 3.32Å; P200-C202 PolarHBondContact O-N 2.91Å; C202-A205 PolarHBondContact O-N 2.87Å; C202-I206 WeakPolarHBondContact O-CD1 3.44Å; C202-I206 VanDerWaalsContact O-CG1 3.29Å; C202-I206 WeakPolarHBondContact O-CG1 3.4Å; C202-I206 PolarHBondContact O-N 2.86Å; C202-I206 VanDerWaalsContact O-N 3.08Å
203	V	97.4	Very high	96.2	Very high	8 Å²	8	17.8 Å²	17.8	5%	0.048	11%	0.105	C	C	.	.	H	α-helix	trans	-69.3	-43.6	172.8	-175.9	0	0	0	0	110.1	C180 L181 I187 P200 A205 I206 H207 V238	C180-V203 HydrophobicContact CB-CG2 4.31Å; L181-V203 HydrophobicContact CD2-CG1 4.36Å; I187-V203 HydrophobicContact CG2-CB 3.82Å; I187-V203 HydrophobicContact CG2-CG1 3.71Å; P200-V203 HydrophobicContact CB-CB 4.21Å; P200-V203 HydrophobicContact CB-CG2 4.02Å; P200-V203 PolarHBondContact O-N 2.92Å; V203-A205 VanDerWaalsContact C-N 3.29Å; V203-A205 PolarHBondContact O-N 2.88Å; V203-I206 PolarHBondContact O-N 3.23Å; V203-H207 PolarHBondContact O-N 3.47Å; V203-V238 HydrophobicContact CG1-CG1 3.9Å
204	A	97.8	Very high	96.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-34.9	173.9	0	0	0	0	0	112.3	I187 Y195 P200 L201 H207 A208 F250 F252	I187-A204 HydrophobicContact CG2-CB 4.17Å; Y195-A204 HydrophobicContact CD1-CB 3.86Å; Y195-A204 HydrophobicContact CD2-CB 4.25Å; Y195-A204 HydrophobicContact CE1-CB 4.27Å; Y195-A204 HydrophobicContact CG-CB 3.86Å; P200-A204 WeakPolarHBondContact O-CB 3.47Å; P200-A204 PolarHBondContact O-N 2.99Å; L201-A204 PolarHBondContact O-N 3Å; A204-H207 PolarHBondContact O-N 3.23Å; A204-A208 WeakPolarHBondContact O-CB 3.36Å; A204-A208 PolarHBondContact O-N 2.8Å; A204-F250 HydrophobicContact CB-CE2 3.81Å; A204-F250 HydrophobicContact CB-CZ 3.8Å; A204-F252 VanDerWaalsContact C-CE2 3.49Å; A204-F252 HydrophobicContact CB-CE2 4.02Å; A204-F252 HydrophobicContact CB-CZ 4Å; A204-F252 WeakPolarHBondContact O-CE2 3.48Å
205	A	97.8	Very high	95.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.8	-35	177.2	0	0	0	0	0	112.8	L201 C202 V203 G209 A210 V211 I219 F252	L201-A205 VanDerWaalsContact O-CB 3.31Å; L201-A205 WeakPolarHBondContact O-CB 3.22Å; L201-A205 PolarHBondContact O-N 2.91Å; C202-A205 PolarHBondContact O-N 2.87Å; V203-A205 VanDerWaalsContact C-N 3.29Å; V203-A205 PolarHBondContact O-N 2.88Å; A205-G209 PolarHBondContact O-N 3.12Å; A205-G209 VanDerWaalsContact O-N 3.12Å; A205-A210 HydrophobicContact CB-CB 4.44Å; A205-A210 PolarHBondContact O-N 3.47Å; A205-V211 HydrophobicContact CB-CG2 3.7Å; A205-V211 PolarHBondContact O-N 3.02Å; A205-I219 HydrophobicContact CB-CG2 3.75Å; A205-F252 HydrophobicContact CB-CD1 4.31Å; A205-F252 HydrophobicContact CB-CE1 3.61Å; A205-F252 HydrophobicContact CB-CE2 4.22Å; A205-F252 HydrophobicContact CB-CZ 3.55Å; A205-F252 VanDerWaalsContact N-CZ 3.29Å
206	I	97.3	Very high	95.7	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.036	11%	0.112	C	C	.	.	H	α-helix	trans	-68.3	-46.3	171.5	-65.3	161.1	0	0	0	110	C180 L181 C202 V203 A208 G209 V211 N213 N236 V238	C180-I206 HydrophobicContact CB-CD1 3.91Å; L181-I206 HydrophobicContact CD1-CG2 4.26Å; L181-I206 HydrophobicContact CD2-CB 4.44Å; L181-I206 HydrophobicContact CD2-CD1 3.95Å; L181-I206 HydrophobicContact CD2-CG2 4.11Å; L181-I206 HydrophobicContact CG-CD1 4.15Å; L181-I206 HydrophobicContact CG-CG2 4.39Å; C202-I206 WeakPolarHBondContact O-CD1 3.44Å; C202-I206 VanDerWaalsContact O-CG1 3.29Å; C202-I206 WeakPolarHBondContact O-CG1 3.4Å; C202-I206 PolarHBondContact O-N 2.86Å; C202-I206 VanDerWaalsContact O-N 3.08Å; V203-I206 PolarHBondContact O-N 3.23Å; I206-A208 PolarHBondContact O-N 2.82Å; I206-G209 WeakPolarHBondContact O-CA 3.36Å; I206-G209 PolarHBondContact O-N 3.15Å; I206-V211 HydrophobicContact CG1-CG2 3.94Å; I206-N213 HydrophobicContact CD1-CB 3.91Å; I206-N213 HydrophobicContact CG1-CB 4.45Å; I206-N213 HydrophobicContact CG2-CB 4.3Å; I206-N236 HydrophobicContact CG2-CB 4.44Å; I206-N236 WeakPolarHBondContact O-CB 3Å; I206-N236 PolarHBondContact O-ND2 3.38Å; I206-V238 HydrophobicContact CB-CG2 4.45Å; I206-V238 HydrophobicContact CG2-CG2 3.87Å
207	H	97.6	Very high	95.6	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-47.3	176.7	177.9	-82.2	0	0	0	112.2	I187 Y195 V203 A204 G209 T233 A235 N236 V238	I187-H207 HydrophobicContact CD1-CB 3.44Å; I187-H207 VanDerWaalsContact CD1-CB 3.44Å; Y195-H207 AromaticContact CE1-ND1 3.42Å; Y195-H207 WeakPolarHBondContact CE1-ND1 3.39Å; Y195-H207 AromaticContact CZ-ND1 3.56Å; Y195-H207 PolarHBondContact OH-ND1 3.26Å; V203-H207 PolarHBondContact O-N 3.47Å; A204-H207 PolarHBondContact O-N 3.23Å; H207-G209 PolarHBondContact O-N 3.05Å; H207-T233 PolarHBondContact CE1-OG1 3.36Å; H207-T233 PolarHBondContact NE2-O 2.97Å; H207-T233 VanDerWaalsContact NE2-O 3.16Å; H207-T233 PolarHBondContact NE2-OG1 2.82Å; H207-A235 VanDerWaalsContact O-CB 3.29Å; H207-A235 WeakPolarHBondContact O-CB 3.42Å; H207-N236 PolarHBondContact O-ND2 3.06Å; H207-V238 HydrophobicContact CB-CB 3.99Å; H207-V238 HydrophobicContact CB-CG1 4.11Å; H207-V238 HydrophobicContact CB-CG2 4.4Å; H207-V238 PolarHBondContact CD2-O 3.24Å
208	A	96.8	Very high	95.7	Very high	10 Å²	10	19.3 Å²	19.3	8%	0.083	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-21.8	172.6	0	0	0	0	0	113.4	T191 Y195 A204 I206 A210 F252 N384	T191-A208 WeakPolarHBondContact OG1-CB 3.35Å; Y195-A208 HydrophobicContact CE2-CB 4.05Å; Y195-A208 WeakPolarHBondContact OH-CA 3.07Å; Y195-A208 WeakPolarHBondContact OH-CB 3.48Å; Y195-A208 PolarHBondContact OH-N 3.07Å; A204-A208 WeakPolarHBondContact O-CB 3.36Å; A204-A208 PolarHBondContact O-N 2.8Å; I206-A208 PolarHBondContact O-N 2.82Å; A208-A210 VanDerWaalsContact C-N 3.34Å; A208-F252 HydrophobicContact CB-CD2 3.55Å; A208-F252 HydrophobicContact CB-CE2 3.96Å; A208-F252 HydrophobicContact CB-CG 4.48Å; A208-N384 PolarHBondContact O-ND2 2.87Å
209	G	95.7	Very high	95.8	Very high	13 Å²	13	17.2 Å²	17.2	13%	0.134	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	40	-169.3	0	0	0	0	0	112.6	A205 I206 H207 N384	A205-G209 PolarHBondContact O-N 3.12Å; A205-G209 VanDerWaalsContact O-N 3.12Å; I206-G209 WeakPolarHBondContact O-CA 3.36Å; I206-G209 PolarHBondContact O-N 3.15Å; H207-G209 PolarHBondContact O-N 3.05Å; G209-N384 VanDerWaalsContact CA-ND2 3.34Å; G209-N384 WeakPolarHBondContact CA-ND2 3.3Å; G209-N384 PolarHBondContact O-ND2 3.01Å
210	A	95.8	Very high	95.9	Very high	44 Å²	44	19.1 Å²	19.1	36%	0.364	12%	0.124	S	C	.	.	S	Bend	trans	-77.9	-30.7	164.1	0	0	0	0	0	111.3	A205 A208 F252	A205-A210 HydrophobicContact CB-CB 4.44Å; A205-A210 PolarHBondContact O-N 3.47Å; A208-A210 VanDerWaalsContact C-N 3.34Å; A210-F252 HydrophobicContact CB-CB 4.11Å; A210-F252 HydrophobicContact CB-CD1 4.39Å; A210-F252 HydrophobicContact CB-CG 4.13Å
211	V	95.1	Very high	95.9	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.036	12%	0.124	C	C	.	.	S	Bend	trans	-136.3	162.5	172.9	-64.9	0	0	0	0	110.9	C176 A205 I206 I219 I386	C176-V211 HydrophobicContact CB-CG2 4.43Å; A205-V211 HydrophobicContact CB-CG2 3.7Å; A205-V211 PolarHBondContact O-N 3.02Å; I206-V211 HydrophobicContact CG1-CG2 3.94Å; V211-I219 HydrophobicContact CG1-CG2 3.63Å; V211-I219 HydrophobicContact CG2-CG2 4.49Å; V211-I386 WeakPolarHBondContact O-CD1 3.46Å
212	S	94	Very high	95.9	Very high	9 Å²	9	21 Å²	21	6%	0.063	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-96.4	147.8	173.3	68.7	0	0	0	0	110.8	A214 A215 G216	S212-A214 PolarHBondContact O-N 2.67Å; S212-A215 WeakPolarHBondContact OG-CB 3.25Å; S212-A215 PolarHBondContact OG-N 2.84Å; S212-G216 WeakPolarHBondContact O-CA 3.24Å; S212-G216 PolarHBondContact O-N 3.38Å
213	N	93.8	Very high	95.9	Very high	45 Å²	45	22.8 Å²	22.8	24%	0.241	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.7	172.4	-174.9	53.5	0	0	0	112.4	A178 G179 C180 L181 I206	A178-N213 CarbonylContact C-O 3.57Å; A178-N213 WeakPolarHBondContact CA-O 3.37Å; G179-N213 VanDerWaalsContact CA-OD1 3.29Å; G179-N213 WeakPolarHBondContact CA-OD1 3.29Å; G179-N213 PolarHBondContact N-O 3.02Å; G179-N213 PolarHBondContact N-OD1 2.84Å; C180-N213 PolarHBondContact N-OD1 3.18Å; L181-N213 HydrophobicContact CD1-CB 3.92Å; L181-N213 HydrophobicContact CG-CB 3.93Å; L181-N213 PolarHBondContact N-OD1 3.44Å; I206-N213 HydrophobicContact CD1-CB 3.91Å; I206-N213 HydrophobicContact CG1-CB 4.45Å; I206-N213 HydrophobicContact CG2-CB 4.3Å
214	A	91.2	Very high	95.8	Very high	40 Å²	40	24.8 Å²	24.8	33%	0.331	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-27.9	-175.1	0	0	0	0	0	114.2	A178 S212 E362	A178-A214 WeakPolarHBondContact CB-O 3.03Å; S212-A214 PolarHBondContact O-N 2.67Å; A214-E362 VanDerWaalsContact CB-CD 3.43Å; A214-E362 HydrophobicContact CB-CG 4.02Å; A214-E362 WeakPolarHBondContact CB-OE1 3.26Å
215	A	91.3	Very high	95.8	Very high	23 Å²	23	30.5 Å²	30.5	19%	0.19	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-12.6	-177.1	0	0	0	0	0	114.7	S47 S212	S47-A215 PolarHBondContact OG-O 3.05Å; S212-A215 WeakPolarHBondContact OG-CB 3.25Å; S212-A215 PolarHBondContact OG-N 2.84Å
216	G	93.9	Very high	95.6	Very high	9 Å²	9	31.5 Å²	31.5	9%	0.093	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	62.9	-148.5	-168.9	0	0	0	0	0	111.3	C176 S212	C176-G216 CarbonylContact O-C 3.58Å; C176-G216 VanDerWaalsContact O-CA 3.3Å; C176-G216 WeakPolarHBondContact O-CA 3.46Å; S212-G216 WeakPolarHBondContact O-CA 3.24Å; S212-G216 PolarHBondContact O-N 3.38Å
217	G	95.3	Very high	95.5	Very high	15 Å²	15	33.7 Å²	33.7	16%	0.155	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.6	173.9	172.3	0	0	0	0	0	114	C176	C176-G217 PolarHBondContact N-O 2.98Å; C176-G217 PolarHBondContact O-N 3.43Å
218	K	96.7	Very high	95.4	Very high	126 Å²	126	38.5 Å²	38.5	55%	0.548	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.5	174.2	-172.2	164.6	-175.2	133.7	0	110.6	D156 K174 Y175	D156-K218 WeakPolarHBondContact OD2-CE 3.37Å; D156-K218 IonicContact OD2-NZ 2.65Å; D156-K218 PolarHBondContact OD2-NZ 3.35Å; K174-K218 WeakPolarHBondContact O-CA 3.46Å; Y175-K218 HydrophobicContact CD2-CB 4.34Å
219	I	97.2	Very high	95.3	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.7	173.1	55.8	166.3	0	0	0	110.2	I158 S173 K174 L201 A205 V211 V221 F252	I158-I219 HydrophobicContact CD1-CD1 4.24Å; S173-I219 WeakPolarHBondContact CA-O 3.2Å; S173-I219 WeakPolarHBondContact CB-O 3.4Å; K174-I219 HydrophobicContact CB-CG1 4.35Å; K174-I219 PolarHBondContact N-O 2.99Å; K174-I219 VanDerWaalsContact N-O 3.08Å; K174-I219 VanDerWaalsContact O-CG1 3.31Å; K174-I219 WeakPolarHBondContact O-CG1 3.39Å; K174-I219 PolarHBondContact O-N 2.91Å; L201-I219 HydrophobicContact CB-CD1 4.32Å; A205-I219 HydrophobicContact CB-CG2 3.75Å; V211-I219 HydrophobicContact CG1-CG2 3.63Å; V211-I219 HydrophobicContact CG2-CG2 4.49Å; I219-V221 HydrophobicContact CD1-CG2 3.78Å; I219-V221 HydrophobicContact CG1-CG2 4.27Å; I219-F252 HydrophobicContact CB-CD1 4.31Å; I219-F252 HydrophobicContact CB-CE1 4.4Å; I219-F252 HydrophobicContact CD1-CE1 4.04Å; I219-F252 HydrophobicContact CG2-CD1 4.44Å; I219-F252 HydrophobicContact CG2-CE1 4.43Å
220	T	97.4	Very high	95.3	Very high	40 Å²	40	42.4 Å²	42.4	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.5	166.5	-59.9	0	0	0	0	107.6	E171 F172 S173 F252 K253	E171-T220 HydrophobicContact CG-CG2 4.25Å; E171-T220 WeakPolarHBondContact OE1-CG2 3.46Å; F172-T220 WeakPolarHBondContact O-CA 3.37Å; S173-T220 PolarHBondContact OG-OG1 2.88Å; T220-F252 WeakPolarHBondContact O-CA 3.5Å; T220-K253 HydrophobicContact CG2-CB 3.85Å; T220-K253 HydrophobicContact CG2-CD 3.69Å; T220-K253 HydrophobicContact CG2-CG 4.42Å; T220-K253 PolarHBondContact O-N 2.88Å
221	V	97.8	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.5	-169	-175.6	0	0	0	0	108.6	E171 F172 L201 I219 F250 T251 F252	E171-V221 WeakPolarHBondContact CA-O 3.26Å; F172-V221 HydrophobicContact CD1-CB 4.43Å; F172-V221 HydrophobicContact CD2-CB 4.03Å; F172-V221 HydrophobicContact CD2-CG2 4.26Å; F172-V221 HydrophobicContact CE1-CB 4.03Å; F172-V221 HydrophobicContact CE1-CG1 3.95Å; F172-V221 HydrophobicContact CE2-CB 3.62Å; F172-V221 HydrophobicContact CE2-CG1 4.13Å; F172-V221 HydrophobicContact CE2-CG2 3.66Å; F172-V221 HydrophobicContact CG-CB 4.44Å; F172-V221 HydrophobicContact CZ-CB 3.62Å; F172-V221 HydrophobicContact CZ-CG1 3.61Å; F172-V221 HydrophobicContact CZ-CG2 4.01Å; F172-V221 PolarHBondContact N-O 3.15Å; F172-V221 PolarHBondContact O-N 3.18Å; L201-V221 HydrophobicContact CD2-CG1 4.27Å; L201-V221 HydrophobicContact CD2-CG2 4.23Å; I219-V221 HydrophobicContact CD1-CG2 3.78Å; I219-V221 HydrophobicContact CG1-CG2 4.27Å; V221-F250 HydrophobicContact CG1-CB 3.64Å; V221-F250 HydrophobicContact CG1-CD2 4.06Å; V221-F250 HydrophobicContact CG1-CG 4.09Å; V221-T251 WeakPolarHBondContact CA-O 3.23Å; V221-F252 HydrophobicContact CG2-CD1 4.08Å; V221-F252 HydrophobicContact CG2-CE1 3.96Å
222	V	97.6	Very high	95.2	Very high	40 Å²	40	47.4 Å²	47.4	24%	0.242	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.7	173.6	-178.1	0	0	0	0	108	A170 E171 F250 T251	A170-V222 WeakPolarHBondContact O-CA 3.34Å; E171-V222 HydrophobicContact CG-CG2 4.11Å; V222-F250 WeakPolarHBondContact O-CA 3.26Å; V222-T251 PolarHBondContact N-O 2.84Å; V222-T251 PolarHBondContact O-N 3.08Å; V222-T251 PolarHBondContact O-OG1 2.9Å
223	S	96.8	Very high	95.3	Very high	38 Å²	38	48.9 Å²	48.9	27%	0.266	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	146.7	174.7	-168.2	0	0	0	0	110.2	A170 L249	A170-S223 PolarHBondContact O-N 3.14Å; S223-L249 WeakPolarHBondContact CA-O 3.41Å
224	S	96.2	Very high	95.5	Very high	51 Å²	51	47 Å²	47	36%	0.357	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	166.4	-176.8	-67.3	0	0	0	0	110.9	G226 N248 L249	S224-G226 PolarHBondContact O-N 3.05Å; S224-N248 CarbonylContact O-C 3.11Å; S224-N248 VanDerWaalsContact O-CA 3.27Å; S224-N248 WeakPolarHBondContact O-CA 3.04Å; S224-L249 PolarHBondContact N-O 2.97Å; S224-L249 PolarHBondContact O-N 2.83Å; S224-L249 VanDerWaalsContact O-O 3.13Å
225	T	96.4	Very high	95.7	Very high	120 Å²	120	45.2 Å²	45.2	74%	0.736	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	132.5	175.2	50.7	0	0	0	0	111.3	L249	T225-L249 WeakPolarHBondContact O-CD2 3.49Å
226	G	94.6	Very high	96	Very high	21 Å²	21	45.3 Å²	45.3	22%	0.216	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-66.6	158.1	-178.6	0	0	0	0	0	113.7	S224 Y230 K247	S224-G226 PolarHBondContact O-N 3.05Å; G226-Y230 WeakPolarHBondContact CA-OH 3.31Å; G226-K247 PolarHBondContact N-O 2.61Å
227	I	94.9	Very high	96	Very high	53 Å²	53	49.8 Å²	49.8	27%	0.272	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-102.1	156.6	175.4	55	177.5	0	0	0	111.1	N193 H229 Y230 L249	N193-I227 HydrophobicContact CB-CD1 4.38Å; I227-H229 VanDerWaalsContact C-N 3.31Å; I227-H229 VanDerWaalsContact CD1-O 3.22Å; I227-H229 WeakPolarHBondContact CD1-O 3.49Å; I227-H229 WeakPolarHBondContact CG1-O 3.38Å; I227-H229 PolarHBondContact O-N 2.88Å; I227-Y230 HydrophobicContact CD1-CD1 3.97Å; I227-Y230 HydrophobicContact CD1-CE1 4Å; I227-Y230 HydrophobicContact CD1-CG 4.45Å; I227-Y230 HydrophobicContact CG1-CD1 3.91Å; I227-Y230 HydrophobicContact CG1-CD2 4.32Å; I227-Y230 HydrophobicContact CG1-CE1 3.53Å; I227-Y230 HydrophobicContact CG1-CE2 3.97Å; I227-Y230 HydrophobicContact CG1-CG 4.28Å; I227-Y230 PolarHBondContact N-OH 3.46Å; I227-Y230 VanDerWaalsContact O-CE2 3.26Å; I227-Y230 WeakPolarHBondContact O-CE2 3.32Å; I227-L249 HydrophobicContact CB-CD2 4.39Å; I227-L249 HydrophobicContact CD1-CD2 4.38Å; I227-L249 HydrophobicContact CG1-CD2 3.99Å; I227-L249 HydrophobicContact CG2-CD2 3.88Å
228	P	94.1	Very high	96	Very high	102 Å²	102	49.7 Å²	49.7	66%	0.662	29%	0.285	S	S	*	.	S	Bend	trans	-70.3	-24	-176.9	26.8	-35.7	0	0	0	114.3	L245	P228-L245 HydrophobicContact CB-CD1 4.38Å; P228-L245 PolarHBondContact O-N 3.37Å
229	H	95.4	Very high	96	Very high	103 Å²	103	48.2 Å²	48.2	48%	0.477	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.5	-177.7	-176.4	81.9	0	0	0	110.5	I227 V242	I227-H229 VanDerWaalsContact C-N 3.31Å; I227-H229 VanDerWaalsContact CD1-O 3.22Å; I227-H229 WeakPolarHBondContact CD1-O 3.49Å; I227-H229 WeakPolarHBondContact CG1-O 3.38Å; I227-H229 PolarHBondContact O-N 2.88Å; H229-V242 WeakPolarHBondContact CE1-CG1 3.49Å
230	Y	96.3	Very high	95.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.8	177.8	-63.2	-97.4	0	0	0	109.3	R196 G226 I227 V242 G243 I244 L249	R196-Y230 HydrophobicContact CB-CD1 4.4Å; R196-Y230 HydrophobicContact CB-CE1 4.21Å; R196-Y230 HydrophobicContact CB-CE2 4.38Å; R196-Y230 HydrophobicContact CG-CE2 4.3Å; G226-Y230 WeakPolarHBondContact CA-OH 3.31Å; I227-Y230 HydrophobicContact CD1-CD1 3.97Å; I227-Y230 HydrophobicContact CD1-CE1 4Å; I227-Y230 HydrophobicContact CD1-CG 4.45Å; I227-Y230 HydrophobicContact CG1-CD1 3.91Å; I227-Y230 HydrophobicContact CG1-CD2 4.32Å; I227-Y230 HydrophobicContact CG1-CE1 3.53Å; I227-Y230 HydrophobicContact CG1-CE2 3.97Å; I227-Y230 HydrophobicContact CG1-CG 4.28Å; I227-Y230 PolarHBondContact N-OH 3.46Å; I227-Y230 VanDerWaalsContact O-CE2 3.26Å; I227-Y230 WeakPolarHBondContact O-CE2 3.32Å; Y230-V242 WeakPolarHBondContact O-CA 3.02Å; Y230-G243 PolarHBondContact N-O 2.94Å; Y230-G243 PolarHBondContact O-N 2.68Å; Y230-I244 WeakPolarHBondContact CE2-O 3.18Å; Y230-L249 HydrophobicContact CE1-CB 3.95Å; Y230-L249 HydrophobicContact CE1-CD2 4.41Å
231	E	94.7	Very high	95.9	Very high	108 Å²	108	48.3 Å²	48.3	51%	0.505	29%	0.288	S	S	.	.			trans	-68.9	147.6	178.8	-64.1	178.8	156.5	0	0	112.2	G189 T190	G189-E231 CarbonylContact C-O 3.57Å; G189-E231 WeakPolarHBondContact CA-O 3.46Å; T190-E231 HydrophobicContact CG2-CB 4.35Å
232	A	94.5	Very high	95.7	Very high	47 Å²	47	52.7 Å²	52.7	39%	0.388	31%	0.314	S	S	.	.			trans	-90.4	137.5	170.2	0	0	0	0	0	110.6	S240 V242	A232-S240 WeakPolarHBondContact CA-OG 3.47Å; A232-S240 WeakPolarHBondContact CB-O 3.29Å; A232-V242 HydrophobicContact CB-CG2 3.8Å
233	T	96	Very high	95.3	Very high	40 Å²	40	50.9 Å²	50.9	25%	0.245	30%	0.304	C	S	.	.			trans	-144.8	155	173.7	55.2	0	0	0	0	111	T190 H207 S240	T190-T233 WeakPolarHBondContact CB-OG1 3.44Å; T190-T233 HydrophobicContact CG2-CG2 4.2Å; T190-T233 PolarHBondContact OG1-OG1 2.9Å; H207-T233 PolarHBondContact CE1-OG1 3.36Å; H207-T233 PolarHBondContact NE2-O 2.97Å; H207-T233 VanDerWaalsContact NE2-O 3.16Å; H207-T233 PolarHBondContact NE2-OG1 2.82Å; T233-S240 PolarHBondContact N-OG 3.47Å; T233-S240 PolarHBondContact O-N 3.44Å; T233-S240 PolarHBondContact O-OG 3.1Å
234	L	96.4	Very high	95	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.037	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.4	166.4	169.7	56.4	0	0	0	109.7	V238 M375 V381 R382	L234-V238 WeakPolarHBondContact CA-O 3.19Å; L234-V238 WeakPolarHBondContact CD1-O 3.4Å; L234-M375 HydrophobicContact CD2-CG 3.53Å; L234-V381 HydrophobicContact CB-CG2 4.06Å; L234-V381 HydrophobicContact CD2-CG1 4.34Å; L234-V381 HydrophobicContact CD2-CG2 3.64Å; L234-V381 HydrophobicContact CG-CG1 4.02Å; L234-V381 HydrophobicContact CG-CG2 3.85Å; L234-V381 WeakPolarHBondContact O-CA 3.15Å; L234-R382 PolarHBondContact O-N 2.91Å; L234-R382 VanDerWaalsContact O-N 3.12Å
235	A	97	Very high	94.7	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.017	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.4	177.1	0	0	0	0	0	112.2	H207 N237 V238 R382	H207-A235 VanDerWaalsContact O-CB 3.29Å; H207-A235 WeakPolarHBondContact O-CB 3.42Å; A235-N237 VanDerWaalsContact C-N 3.26Å; A235-N237 PolarHBondContact O-N 2.98Å; A235-V238 PolarHBondContact N-O 2.03Å; A235-V238 WeakPolarHBondContact O-CA 3.32Å; A235-V238 WeakPolarHBondContact O-CB 3.49Å; A235-V238 PolarHBondContact O-N 2.94Å; A235-V238 VanDerWaalsContact O-O 3.05Å; A235-R382 CarbonylContact C-O 3.56Å; A235-R382 WeakPolarHBondContact CA-O 3.29Å; A235-R382 HydrophobicContact CB-CB 3.91Å
236	N	96.4	Very high	94.5	Very high	24 Å²	24	53 Å²	53	13%	0.128	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	36.9	173.8	-63.1	-66.1	0	0	0	114.5	I206 H207 V238 R382 N384	I206-N236 HydrophobicContact CG2-CB 4.44Å; I206-N236 WeakPolarHBondContact O-CB 3Å; I206-N236 PolarHBondContact O-ND2 3.38Å; H207-N236 PolarHBondContact O-ND2 3.06Å; N236-V238 VanDerWaalsContact C-N 3.26Å; N236-V238 PolarHBondContact O-N 2.86Å; N236-R382 PolarHBondContact N-O 2.96Å; N236-N384 PolarHBondContact ND2-OD1 3.07Å; N236-N384 VanDerWaalsContact ND2-OD1 3.15Å; N236-N384 PolarHBondContact OD1-N 3.37Å
237	N	94.8	Very high	94.4	Very high	103 Å²	103	60.6 Å²	60.6	55%	0.551	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	27.5	-174.1	-154.6	111.3	0	0	0	113.6	A235 Q372	A235-N237 VanDerWaalsContact C-N 3.26Å; A235-N237 PolarHBondContact O-N 2.98Å; N237-Q372 PolarHBondContact OD1-OE1 3.42Å
238	V	95.9	Very high	94.4	Very high	13 Å²	13	61.2 Å²	61.2	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.1	172.9	-169	0	0	0	0	108.6	L181 I187 V203 I206 H207 L234 A235 N236	L181-V238 HydrophobicContact CD1-CG2 4.1Å; L181-V238 HydrophobicContact CD2-CG2 3.43Å; L181-V238 VanDerWaalsContact CD2-CG2 3.43Å; L181-V238 HydrophobicContact CG-CG2 4.41Å; I187-V238 HydrophobicContact CD1-CG1 3.85Å; I187-V238 HydrophobicContact CG1-CG1 4.43Å; V203-V238 HydrophobicContact CG1-CG1 3.9Å; I206-V238 HydrophobicContact CB-CG2 4.45Å; I206-V238 HydrophobicContact CG2-CG2 3.87Å; H207-V238 HydrophobicContact CB-CB 3.99Å; H207-V238 HydrophobicContact CB-CG1 4.11Å; H207-V238 HydrophobicContact CB-CG2 4.4Å; H207-V238 PolarHBondContact CD2-O 3.24Å; L234-V238 WeakPolarHBondContact CA-O 3.19Å; L234-V238 WeakPolarHBondContact CD1-O 3.4Å; A235-V238 PolarHBondContact N-O 2.03Å; A235-V238 WeakPolarHBondContact O-CA 3.32Å; A235-V238 WeakPolarHBondContact O-CB 3.49Å; A235-V238 PolarHBondContact O-N 2.94Å; A235-V238 VanDerWaalsContact O-O 3.05Å; N236-V238 VanDerWaalsContact C-N 3.26Å; N236-V238 PolarHBondContact O-N 2.86Å
239	T	95.4	Very high	94.6	Very high	96 Å²	96	56.8 Å²	56.8	59%	0.589	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.1	171.1	-50	0	0	0	0	108.8
240	S	96.3	Very high	94.7	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	28%	0.283	C	S	.	.			trans	-77.6	161.1	167.7	72.8	0	0	0	0	111.1	G189 A232 T233	G189-S240 WeakPolarHBondContact O-CB 3.46Å; G189-S240 PolarHBondContact O-OG 2.98Å; A232-S240 WeakPolarHBondContact CA-OG 3.47Å; A232-S240 WeakPolarHBondContact CB-O 3.29Å; T233-S240 PolarHBondContact N-OG 3.47Å; T233-S240 PolarHBondContact O-N 3.44Å; T233-S240 PolarHBondContact O-OG 3.1Å
241	T	95.5	Very high	94.7	Very high	43 Å²	43	54 Å²	54	26%	0.264	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-113.4	154.2	-178.9	55.9	0	0	0	0	111.6	K186 I187 S188 G243	K186-T241 HydrophobicContact CB-CG2 4.31Å; K186-T241 HydrophobicContact CD-CG2 4.08Å; K186-T241 HydrophobicContact CG-CG2 4.38Å; I187-T241 PolarHBondContact O-N 2.65Å; I187-T241 PolarHBondContact O-OG1 3.32Å; S188-T241 VanDerWaalsContact CA-O 3.26Å; S188-T241 WeakPolarHBondContact CA-O 3.37Å; S188-T241 WeakPolarHBondContact CB-O 3.35Å; S188-T241 PolarHBondContact OG-OG1 2.9Å; T241-G243 PolarHBondContact O-N 2.84Å
242	V	94.8	Very high	94.8	Very high	92 Å²	92	49.9 Å²	49.9	56%	0.558	28%	0.275	S	S	*	.			trans	-61.9	124.2	174.8	178.9	0	0	0	0	108.8	H229 Y230 A232	H229-V242 WeakPolarHBondContact CE1-CG1 3.49Å; Y230-V242 WeakPolarHBondContact O-CA 3.02Å; A232-V242 HydrophobicContact CB-CG2 3.8Å
243	G	90	Very high	94.8	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.7	177.6	0	0	0	0	0	111.6	Y230 T241	Y230-G243 PolarHBondContact N-O 2.94Å; Y230-G243 PolarHBondContact O-N 2.68Å; T241-G243 PolarHBondContact O-N 2.84Å
244	I	89.3	Confident	94.3	Very high	128 Å²	128	55.3 Å²	55.3	66%	0.656	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	172.7	168	62.5	171.1	0	0	0	110.9	R196 Y230	R196-I244 PolarHBondContact NE-O 3.39Å; Y230-I244 WeakPolarHBondContact CE2-O 3.18Å
245	L	90.8	Very high	93.7	Very high	114 Å²	114	59.5 Å²	59.5	60%	0.597	32%	0.316	S	S	*	.			trans	-31.5	134.8	176.5	-174	68.5	0	0	0	114	R196 P228	R196-L245 PolarHBondContact NH2-O 2.98Å; P228-L245 HydrophobicContact CB-CD1 4.38Å; P228-L245 PolarHBondContact O-N 3.37Å
246	S	92.6	Very high	93.1	Very high	10 Å²	10	62.2 Å²	62.2	7%	0.07	34%	0.344	C	S	.	.			trans	-136.8	157.2	172.8	-142.3	0	0	0	0	108.7	R196 E197 N248	R196-S246 WeakPolarHBondContact CG-OG 3.34Å; R196-S246 VanDerWaalsContact CZ-OG 3.28Å; R196-S246 PolarHBondContact NE-OG 2.75Å; R196-S246 PolarHBondContact NH2-OG 2.83Å; E197-S246 WeakPolarHBondContact OE1-CB 3.28Å; E197-S246 PolarHBondContact OE1-OG 2.92Å; S246-N248 WeakPolarHBondContact CB-O 3.3Å
247	K	92.1	Very high	92.9	Very high	181 Å²	181	61.2 Å²	61.2	79%	0.787	34%	0.339	S	S	*	.	S	Bend	trans	-71.2	-42.5	178	-67.2	-176.1	179.1	-178.7	0	110.2	E197 G226	E197-K247 PolarHBondContact OE1-N 3.45Å; G226-K247 PolarHBondContact N-O 2.61Å
248	N	95.1	Very high	92.7	Very high	66 Å²	66	59.1 Å²	59.1	35%	0.353	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157	177.7	-46.7	-67.2	0	0	0	111.8	E197 S224 S246	E197-N248 HydrophobicContact CB-CB 4.22Å; E197-N248 WeakPolarHBondContact CB-O 3.45Å; E197-N248 PolarHBondContact N-O 2.78Å; E197-N248 PolarHBondContact OE1-N 2.86Å; E197-N248 WeakPolarHBondContact OE2-CB 3.38Å; E197-N248 PolarHBondContact OE2-ND2 3.15Å; S224-N248 CarbonylContact O-C 3.11Å; S224-N248 VanDerWaalsContact O-CA 3.27Å; S224-N248 WeakPolarHBondContact O-CA 3.04Å; S246-N248 WeakPolarHBondContact CB-O 3.3Å
249	L	96.9	Very high	92.6	Very high	10 Å²	10	60.4 Å²	60.4	5%	0.052	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	165.3	163.2	66.3	79.4	0	0	0	109.2	Y195 S223 S224 T225 I227 Y230 T251	Y195-L249 CarbonylContact O-C 3.58Å; Y195-L249 WeakPolarHBondContact O-CA 3.17Å; Y195-L249 VanDerWaalsContact O-CB 3.31Å; Y195-L249 WeakPolarHBondContact O-CB 3.48Å; S223-L249 WeakPolarHBondContact CA-O 3.41Å; S224-L249 PolarHBondContact N-O 2.97Å; S224-L249 PolarHBondContact O-N 2.83Å; S224-L249 VanDerWaalsContact O-O 3.13Å; T225-L249 WeakPolarHBondContact O-CD2 3.49Å; I227-L249 HydrophobicContact CB-CD2 4.39Å; I227-L249 HydrophobicContact CD1-CD2 4.38Å; I227-L249 HydrophobicContact CG1-CD2 3.99Å; I227-L249 HydrophobicContact CG2-CD2 3.88Å; Y230-L249 HydrophobicContact CE1-CB 3.95Å; Y230-L249 HydrophobicContact CE1-CD2 4.41Å; L249-T251 HydrophobicContact CD1-CG2 3.87Å
250	F	97.8	Very high	92.6	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.2	168.1	64.8	-96.5	0	0	0	112.3	G194 Y195 R196 L201 A204 V221 V222 F252	G194-F250 WeakPolarHBondContact CA-O 3.35Å; Y195-F250 HydrophobicContact CD2-CD2 4.4Å; Y195-F250 HydrophobicContact CD2-CE2 4.03Å; Y195-F250 HydrophobicContact CG-CE2 4.08Å; Y195-F250 HydrophobicContact CG-CZ 4.35Å; Y195-F250 PolarHBondContact N-O 2.84Å; Y195-F250 PolarHBondContact O-N 2.89Å; R196-F250 WeakPolarHBondContact O-CE1 3.5Å; L201-F250 HydrophobicContact CD2-CD1 4.22Å; L201-F250 HydrophobicContact CD2-CD2 3.9Å; L201-F250 HydrophobicContact CD2-CE1 4.01Å; L201-F250 HydrophobicContact CD2-CE2 3.68Å; L201-F250 HydrophobicContact CD2-CG 4.17Å; L201-F250 HydrophobicContact CD2-CZ 3.74Å; A204-F250 HydrophobicContact CB-CE2 3.81Å; A204-F250 HydrophobicContact CB-CZ 3.8Å; V221-F250 HydrophobicContact CG1-CB 3.64Å; V221-F250 HydrophobicContact CG1-CD2 4.06Å; V221-F250 HydrophobicContact CG1-CG 4.09Å; V222-F250 WeakPolarHBondContact O-CA 3.26Å; F250-F252 HydrophobicContact CD2-CE2 4.32Å; F250-F252 HydrophobicContact CD2-CZ 4.09Å; F250-F252 HydrophobicContact CE2-CE1 4.38Å; F250-F252 AromaticContact CE2-CE2 3.9Å; F250-F252 HydrophobicContact CE2-CE2 3.9Å; F250-F252 AromaticContact CE2-CZ 3.58Å; F250-F252 HydrophobicContact CE2-CZ 3.58Å
251	T	97.4	Very high	92.6	Very high	42 Å²	42	60.3 Å²	60.3	26%	0.258	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.1	173.5	62.9	0	0	0	0	110.1	V221 V222 L249	V221-T251 WeakPolarHBondContact CA-O 3.23Å; V222-T251 PolarHBondContact N-O 2.84Å; V222-T251 PolarHBondContact O-N 3.08Å; V222-T251 PolarHBondContact O-OG1 2.9Å; L249-T251 HydrophobicContact CD1-CG2 3.87Å
252	F	96.9	Very high	92.6	Very high	21 Å²	21	58.3 Å²	58.3	9%	0.092	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.3	174.4	-61.6	-75.6	0	0	0	110.3	Y195 A204 A205 A208 A210 I219 T220 V221 F250 T254	Y195-F252 HydrophobicContact CD2-CD2 4.25Å; Y195-F252 AromaticContact CD2-CE2 3.79Å; Y195-F252 HydrophobicContact CD2-CE2 3.79Å; Y195-F252 AromaticContact CE2-CD2 3.94Å; Y195-F252 HydrophobicContact CE2-CD2 3.94Å; Y195-F252 AromaticContact CE2-CE2 3.72Å; Y195-F252 HydrophobicContact CE2-CE2 3.72Å; A204-F252 VanDerWaalsContact C-CE2 3.49Å; A204-F252 HydrophobicContact CB-CE2 4.02Å; A204-F252 HydrophobicContact CB-CZ 4Å; A204-F252 WeakPolarHBondContact O-CE2 3.48Å; A205-F252 HydrophobicContact CB-CD1 4.31Å; A205-F252 HydrophobicContact CB-CE1 3.61Å; A205-F252 HydrophobicContact CB-CE2 4.22Å; A205-F252 HydrophobicContact CB-CZ 3.55Å; A205-F252 VanDerWaalsContact N-CZ 3.29Å; A208-F252 HydrophobicContact CB-CD2 3.55Å; A208-F252 HydrophobicContact CB-CE2 3.96Å; A208-F252 HydrophobicContact CB-CG 4.48Å; A210-F252 HydrophobicContact CB-CB 4.11Å; A210-F252 HydrophobicContact CB-CD1 4.39Å; A210-F252 HydrophobicContact CB-CG 4.13Å; I219-F252 HydrophobicContact CB-CD1 4.31Å; I219-F252 HydrophobicContact CB-CE1 4.4Å; I219-F252 HydrophobicContact CD1-CE1 4.04Å; I219-F252 HydrophobicContact CG2-CD1 4.44Å; I219-F252 HydrophobicContact CG2-CE1 4.43Å; T220-F252 WeakPolarHBondContact O-CA 3.5Å; V221-F252 HydrophobicContact CG2-CD1 4.08Å; V221-F252 HydrophobicContact CG2-CE1 3.96Å; F250-F252 HydrophobicContact CD2-CE2 4.32Å; F250-F252 HydrophobicContact CD2-CZ 4.09Å; F250-F252 HydrophobicContact CE2-CE1 4.38Å; F250-F252 AromaticContact CE2-CE2 3.9Å; F250-F252 HydrophobicContact CE2-CE2 3.9Å; F250-F252 AromaticContact CE2-CZ 3.58Å; F250-F252 HydrophobicContact CE2-CZ 3.58Å; F252-T254 PolarHBondContact O-N 2.88Å
253	K	93.6	Very high	92.5	Very high	117 Å²	117	54 Å²	54	51%	0.509	31%	0.308	S	S	.	.			trans	-70.6	113.4	175.8	-161.3	170.9	-169	159.3	0	108.8	E171 T220	E171-K253 WeakPolarHBondContact OE1-CD 3.5Å; E171-K253 IonicContact OE1-NZ 2.65Å; E171-K253 PolarHBondContact OE1-NZ 2.79Å; E171-K253 IonicContact OE2-NZ 3.79Å; E171-K253 PolarHBondContact OE2-NZ 3.31Å; T220-K253 HydrophobicContact CG2-CB 3.85Å; T220-K253 HydrophobicContact CG2-CD 3.69Å; T220-K253 HydrophobicContact CG2-CG 4.42Å; T220-K253 PolarHBondContact O-N 2.88Å
254	T	85.9	Confident	92.5	Very high	85 Å²	85	57.4 Å²	57.4	52%	0.521	32%	0.324	S	S	.	.			trans	-99.1	165.1	177.2	62.9	0	0	0	0	110.9	F252 G256	F252-T254 PolarHBondContact O-N 2.88Å; T254-G256 PolarHBondContact O-N 3.34Å
255	D	83.4	Confident	92.6	Very high	95 Å²	95	55.5 Å²	55.5	51%	0.508	32%	0.322	S	S	.	.			trans	-77.7	12.4	177	68.1	-5.2	0	0	0	114	C257 R325	D255-C257 PolarHBondContact O-N 2.92Å; D255-C257 WeakPolarHBondContact OD1-CB 3.35Å; D255-C257 PolarHBondContact OD1-N 3.08Å; D255-R325 IonicContact OD2-CZ 3.29Å; D255-R325 IonicContact OD2-NH1 3.27Å; D255-R325 PolarHBondContact OD2-NH1 3.09Å; D255-R325 IonicContact OD2-NH2 3.39Å; D255-R325 PolarHBondContact OD2-NH2 2.66Å
256	G	84.4	Confident	92.5	Very high	58 Å²	58	51.8 Å²	51.8	60%	0.598	31%	0.311	S	S	*	.	S	Bend	trans	74.3	0.4	-176.3	0	0	0	0	0	115.1	T254 S258	T254-G256 PolarHBondContact O-N 3.34Å; G256-S258 PolarHBondContact O-N 2.88Å
257	C	91.6	Very high	92.4	Very high	3 Å²	3	54 Å²	54	2%	0.02	34%	0.335	C	S	.	.			trans	-85.3	47.2	-177.3	-162.6	0	0	0	0	112.6	D255 T327 C414	D255-C257 PolarHBondContact O-N 2.92Å; D255-C257 WeakPolarHBondContact OD1-CB 3.35Å; D255-C257 PolarHBondContact OD1-N 3.08Å; C257-T327 HydrophobicContact CB-CG2 4.02Å; C257-T327 WeakPolarHBondContact O-CB 3.46Å; C257-T327 VanDerWaalsContact O-CG2 3.23Å; C257-T327 WeakPolarHBondContact O-CG2 3.29Å; C257-T327 PolarHBondContact O-OG1 3Å; C257-C414 HydrophobicContact CB-CB 3.93Å; C257-C414 WeakPolarHBondContact CB-SG 3.45Å; C257-C414 WeakPolarHBondContact SG-CB 3.26Å; C257-C414 PolarHBondContact SG-N 3.43Å; C257-C414 CovalentContact SG-SG 2.04Å; C257-C414 PolarHBondContact SG-SG 2.83Å
258	S	91.3	Very high	92.6	Very high	60 Å²	60	45.5 Å²	45.5	42%	0.42	30%	0.298	S	S	.	.			trans	-124.2	12.7	-171.2	59.3	0	0	0	0	114.8	G256 F412	G256-S258 PolarHBondContact O-N 2.88Å; S258-F412 WeakPolarHBondContact O-CD1 3.48Å
259	G	93.4	Very high	92.6	Very high	39 Å²	39	45.7 Å²	45.7	40%	0.402	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	157.9	175.5	0	0	0	0	0	113	F412 G413	G259-F412 CarbonylContact O-C 3.6Å; G259-F412 WeakPolarHBondContact O-CA 3.43Å; G259-G413 PolarHBondContact N-O 3.42Å; G259-G413 PolarHBondContact O-N 2.84Å
260	T	95.6	Very high	92.5	Very high	72 Å²	72	48.3 Å²	48.3	44%	0.442	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	143.4	172.8	51.5	0	0	0	0	110.9	E410 F412	T260-E410 HydrophobicContact CG2-CG 3.77Å; T260-F412 HydrophobicContact CG2-CD1 4.05Å; T260-F412 HydrophobicContact CG2-CE1 3.58Å; T260-F412 HydrophobicContact CG2-CZ 4.07Å
261	L	96.5	Very high	92.5	Very high	23 Å²	23	52 Å²	52	12%	0.12	34%	0.342	C	S	.	.			trans	-90.1	-8.6	178.7	-63.7	-179.9	0	0	0	113	V268 F320 K324 I326 L411	L261-V268 WeakPolarHBondContact O-CG2 3.39Å; L261-F320 HydrophobicContact CB-CD1 4.32Å; L261-F320 HydrophobicContact CB-CE1 3.56Å; L261-F320 HydrophobicContact CB-CZ 4.07Å; L261-F320 HydrophobicContact CD1-CE1 3.82Å; L261-F320 HydrophobicContact CD1-CE2 4.08Å; L261-F320 HydrophobicContact CD1-CZ 3.51Å; L261-F320 HydrophobicContact CG-CE1 4.31Å; L261-F320 HydrophobicContact CG-CZ 4.45Å; L261-K324 HydrophobicContact CD1-CB 4.44Å; L261-K324 HydrophobicContact CD2-CD 4.37Å; L261-I326 HydrophobicContact CD1-CB 4.3Å; L261-I326 HydrophobicContact CD1-CG1 3.64Å; L261-I326 HydrophobicContact CD1-CG2 4.16Å; L261-L411 HydrophobicContact CB-CB 4.42Å; L261-L411 WeakPolarHBondContact CB-O 3.33Å; L261-L411 HydrophobicContact CD1-CB 4.07Å; L261-L411 WeakPolarHBondContact CG-O 3.33Å; L261-L411 PolarHBondContact N-O 2.04Å
262	G	94.3	Very high	92.5	Very high	2 Å²	2	51 Å²	51	2%	0.021	33%	0.334	C	S	.	.	S	Bend	trans	113.1	26.2	157.1	0	0	0	0	0	115.8	S265 G266 G267 V268 E410	G262-S265 WeakPolarHBondContact CA-OG 3.47Å; G262-G266 CarbonylContact O-C 3.56Å; G262-G266 PolarHBondContact O-N 3.27Å; G262-G267 PolarHBondContact O-N 2.57Å; G262-V268 PolarHBondContact O-N 2.79Å; G262-E410 PolarHBondContact N-OE1 3.42Å
263	L	93.7	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-70.7	-41.9	170.5	-75.5	87.2	0	0	0	111	V268 L273 R297 V318 L409 E410 L411	L263-V268 HydrophobicContact CD1-CG2 4.22Å; L263-L273 HydrophobicContact CD2-CD2 4.28Å; L263-R297 WeakPolarHBondContact O-CB 3.48Å; L263-R297 WeakPolarHBondContact O-CD 3.46Å; L263-R297 VanDerWaalsContact O-CG 3.25Å; L263-R297 WeakPolarHBondContact O-CG 3.23Å; L263-R297 PolarHBondContact O-NH1 3.02Å; L263-V318 HydrophobicContact CD1-CG1 4.43Å; L263-V318 HydrophobicContact CD1-CG2 4.45Å; L263-V318 HydrophobicContact CD2-CG2 4.15Å; L263-L409 HydrophobicContact CD2-CD1 3.62Å; L263-L409 HydrophobicContact CD2-CG 4.03Å; L263-E410 WeakPolarHBondContact CB-OE1 3.36Å; L263-E410 VanDerWaalsContact CD1-OE1 3.25Å; L263-E410 WeakPolarHBondContact CD1-OE1 3.37Å; L263-E410 PolarHBondContact N-OE1 3.07Å; L263-E410 PolarHBondContact N-OE2 3.09Å; L263-L411 HydrophobicContact CD1-CB 4.36Å; L263-L411 HydrophobicContact CD1-CD1 4.45Å
264	E	90.6	Very high	92.7	Very high	76 Å²	76	46.9 Å²	46.9	36%	0.355	32%	0.323	S	S	.	.	S	Bend	trans	-71.4	-48.3	176.5	-178.2	177.5	155.5	0	0	111.4	G266 L298 K299 E410	E264-G266 VanDerWaalsContact C-N 3.27Å; E264-G266 PolarHBondContact O-N 3.35Å; E264-L298 WeakPolarHBondContact CG-O 3.3Å; E264-K299 HydrophobicContact CG-CB 4.37Å; E264-K299 VanDerWaalsContact OE1-CD 3.3Å; E264-K299 WeakPolarHBondContact OE1-CD 3.45Å; E264-K299 WeakPolarHBondContact OE1-CE 3.27Å; E264-K299 IonicContact OE1-NZ 2.75Å; E264-K299 PolarHBondContact OE1-NZ 3.2Å; E264-K299 VanDerWaalsContact OE2-CE 3.29Å; E264-K299 WeakPolarHBondContact OE2-CE 3.42Å; E264-K299 IonicContact OE2-NZ 2.98Å; E264-K299 PolarHBondContact OE2-NZ 2.97Å; E264-E410 WeakPolarHBondContact CB-OE2 3.36Å; E264-E410 PolarHBondContact N-OE2 2.88Å
265	S	90.6	Very high	93.3	Very high	88 Å²	88	44.2 Å²	44.2	62%	0.615	31%	0.306	S	S	*	.	S	Bend	trans	-79.2	0.6	-174.8	64.1	0	0	0	0	115.4	G262 G267	G262-S265 WeakPolarHBondContact CA-OG 3.47Å; S265-G267 PolarHBondContact O-N 2.89Å
266	G	88.1	Confident	94	Very high	36 Å²	36	41.6 Å²	41.6	37%	0.371	30%	0.295	S	S	.	.	S	Bend	trans	77.2	-2.1	-177.8	0	0	0	0	0	115.6	G262 E264 V268	G262-G266 CarbonylContact O-C 3.56Å; G262-G266 PolarHBondContact O-N 3.27Å; E264-G266 VanDerWaalsContact C-N 3.27Å; E264-G266 PolarHBondContact O-N 3.35Å; G266-V268 CarbonylContact O-C 3.57Å; G266-V268 PolarHBondContact O-N 2.86Å
267	G	91.6	Very high	94.6	Very high	56 Å²	56	40.2 Å²	40.2	58%	0.577	28%	0.277	S	S	*	.	S	Bend	trans	-61.2	-23.5	176.6	0	0	0	0	0	114.4	G262 S265	G262-G267 PolarHBondContact O-N 2.57Å; S265-G267 PolarHBondContact O-N 2.89Å
268	V	95.8	Very high	94.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	29%	0.289	C	S	.	.	S	Bend	trans	-94.9	112.9	159.7	176.4	0	0	0	0	107.1	L261 G262 L263 G266 Q272 L273 R297 V318 F320	L261-V268 WeakPolarHBondContact O-CG2 3.39Å; G262-V268 PolarHBondContact O-N 2.79Å; L263-V268 HydrophobicContact CD1-CG2 4.22Å; G266-V268 CarbonylContact O-C 3.57Å; G266-V268 PolarHBondContact O-N 2.86Å; V268-Q272 HydrophobicContact CG1-CB 3.65Å; V268-L273 HydrophobicContact CG1-CD2 3.84Å; V268-L273 HydrophobicContact CG1-CG 4.2Å; V268-R297 PolarHBondContact O-NH1 2.89Å; V268-R297 PolarHBondContact O-NH2 3.08Å; V268-V318 HydrophobicContact CG1-CG1 3.95Å; V268-V318 HydrophobicContact CG2-CG1 4.35Å; V268-F320 HydrophobicContact CG2-CD1 4.18Å; V268-F320 HydrophobicContact CG2-CE1 4.16Å
269	V	95.9	Very high	95.1	Very high	71 Å²	71	41.8 Å²	41.8	43%	0.43	28%	0.278	S	S	.	.			trans	-82.2	163.7	179	-62.8	0	0	0	0	112.6	S271 Q272	V269-S271 VanDerWaalsContact CG2-OG 3.31Å; V269-S271 WeakPolarHBondContact CG2-OG 3.38Å; V269-S271 PolarHBondContact O-N 2.86Å; V269-Q272 HydrophobicContact CG2-CG 4.16Å; V269-Q272 VanDerWaalsContact O-CB 3.3Å; V269-Q272 WeakPolarHBondContact O-CB 3.26Å; V269-Q272 PolarHBondContact O-N 3.42Å
270	D	94.9	Very high	95.2	Very high	65 Å²	65	43.8 Å²	43.8	35%	0.348	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.7	-20.2	-177	-79.2	-0.2	0	0	0	113.9	Q272 L273 K293 S294 R297	D270-Q272 VanDerWaalsContact C-N 3.26Å; D270-Q272 PolarHBondContact O-N 2.87Å; D270-L273 PolarHBondContact O-N 2.86Å; D270-K293 WeakPolarHBondContact O-CE 3.41Å; D270-K293 PolarHBondContact O-NZ 2.89Å; D270-S294 WeakPolarHBondContact OD2-CB 3.42Å; D270-R297 IonicContact OD1-CZ 3.95Å; D270-R297 IonicContact OD1-NE 3.49Å; D270-R297 PolarHBondContact OD1-NE 3.14Å; D270-R297 IonicContact OD1-NH2 2.9Å; D270-R297 PolarHBondContact OD1-NH2 2.82Å
271	S	96.8	Very high	95.1	Very high	80 Å²	80	43.8 Å²	43.8	56%	0.559	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-78.6	-4.7	172.2	71.3	0	0	0	0	114.4	V269 R321	V269-S271 VanDerWaalsContact CG2-OG 3.31Å; V269-S271 WeakPolarHBondContact CG2-OG 3.38Å; V269-S271 PolarHBondContact O-N 2.86Å; S271-R321 PolarHBondContact O-NH2 3.29Å; S271-R321 PolarHBondContact OG-NH2 3.28Å
272	Q	97.6	Very high	94.9	Very high	21 Å²	21	48.1 Å²	48.1	10%	0.098	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-96.7	-10.3	169.1	-71.2	171	-105	0	0	112.6	V268 V269 D270 D319 R321	V268-Q272 HydrophobicContact CG1-CB 3.65Å; V269-Q272 HydrophobicContact CG2-CG 4.16Å; V269-Q272 VanDerWaalsContact O-CB 3.3Å; V269-Q272 WeakPolarHBondContact O-CB 3.26Å; V269-Q272 PolarHBondContact O-N 3.42Å; D270-Q272 VanDerWaalsContact C-N 3.26Å; D270-Q272 PolarHBondContact O-N 2.87Å; Q272-D319 VanDerWaalsContact CB-O 3.29Å; Q272-D319 WeakPolarHBondContact CB-O 3.2Å; Q272-D319 VanDerWaalsContact CG-O 3.29Å; Q272-D319 WeakPolarHBondContact CG-O 3.27Å; Q272-D319 PolarHBondContact NE2-O 3.29Å; Q272-D319 PolarHBondContact O-N 3.36Å; Q272-R321 HydrophobicContact CG-CG 4.06Å
273	L	97.8	Very high	94.6	Very high	2 Å²	2	50 Å²	50	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.9	177.5	-60.3	179.5	0	0	0	110.2	L263 V268 D270 K293 V318	L263-L273 HydrophobicContact CD2-CD2 4.28Å; V268-L273 HydrophobicContact CG1-CD2 3.84Å; V268-L273 HydrophobicContact CG1-CG 4.2Å; D270-L273 PolarHBondContact O-N 2.86Å; L273-K293 HydrophobicContact CB-CB 4.23Å; L273-K293 HydrophobicContact CB-CD 3.96Å; L273-K293 HydrophobicContact CB-CG 4.49Å; L273-K293 WeakPolarHBondContact O-CD 3.4Å; L273-K293 PolarHBondContact O-NZ 3.11Å; L273-V318 HydrophobicContact CD2-CB 4.42Å; L273-V318 HydrophobicContact CD2-CG1 4.32Å; L273-V318 HydrophobicContact CD2-CG2 3.87Å
274	S	97.6	Very high	94.2	Very high	50 Å²	50	57.7 Å²	57.7	35%	0.35	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150	174.3	-66	0	0	0	0	109.6	Q317	S274-Q317 PolarHBondContact N-O 3Å; S274-Q317 PolarHBondContact O-N 2.87Å
275	V	98.1	Very high	94	Very high	29 Å²	29	58.4 Å²	58.4	18%	0.176	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.9	-178.4	-69.4	0	0	0	0	110	S277 V278 K293 W305 W315 L316	V275-S277 WeakPolarHBondContact CG2-O 3.28Å; V275-V278 HydrophobicContact CG2-CG2 3.76Å; V275-K293 HydrophobicContact CG1-CB 3.82Å; V275-K293 HydrophobicContact CG2-CB 4.23Å; V275-W305 HydrophobicContact CB-CZ2 4.15Å; V275-W305 HydrophobicContact CG1-CD2 3.95Å; V275-W305 HydrophobicContact CG1-CG 3.93Å; V275-W305 HydrophobicContact CG1-CZ2 4.27Å; V275-W315 CarbonylContact C-O 3.56Å; V275-W315 WeakPolarHBondContact CA-O 3.34Å; V275-L316 HydrophobicContact CG1-CB 4.1Å; V275-L316 HydrophobicContact CG1-CD1 4.14Å; V275-L316 HydrophobicContact CG1-CG 3.87Å
276	S	97.8	Very high	93.8	Very high	40 Å²	40	57.2 Å²	57.2	28%	0.28	37%	0.373	S	S	.	.	S	Bend	trans	-64.6	-40.8	178	53.9	0	0	0	0	113.1	Q314 W315	S276-Q314 VanDerWaalsContact OG-CA 3.3Å; S276-Q314 WeakPolarHBondContact OG-CA 3.34Å; S276-Q314 PolarHBondContact OG-OE1 3.45Å; S276-W315 PolarHBondContact N-O 3.12Å; S276-W315 PolarHBondContact OG-N 3.45Å; S276-W315 PolarHBondContact OG-O 3.07Å
277	S	97.4	Very high	93.9	Very high	29 Å²	29	61.7 Å²	61.7	20%	0.203	39%	0.385	C	S	.	.			trans	-158.5	172	175	64.8	0	0	0	0	110	V275 W305 P307 S308 Q314	V275-S277 WeakPolarHBondContact CG2-O 3.28Å; S277-W305 PolarHBondContact O-NE1 3.1Å; S277-P307 WeakPolarHBondContact OG-CA 2.91Å; S277-P307 WeakPolarHBondContact OG-CB 3.38Å; S277-S308 PolarHBondContact OG-N 2.89Å; S277-Q314 PolarHBondContact OG-OE1 2.91Å
278	V	97.4	Very high	93.8	Very high	46 Å²	46	64 Å²	64	28%	0.279	38%	0.38	S	S	.	.			trans	-127.4	142.6	175.6	174.9	0	0	0	0	107.8	V275 V290 A306 S308	V275-V278 HydrophobicContact CG2-CG2 3.76Å; V278-V290 HydrophobicContact CG1-CG1 3.71Å; V278-A306 CarbonylContact C-O 3.17Å; V278-S308 WeakPolarHBondContact O-CB 3.39Å
279	W	96.2	Very high	93.6	Very high	51 Å²	51	64.8 Å²	64.8	19%	0.193	39%	0.385	C	S	.	.			trans	-97.9	122.5	168.4	-178.7	34	0	0	0	109.6	W281 W291 A306 Y341	W279-W281 HydrophobicContact CD2-CE3 4.2Å; W279-W281 AromaticContact CD2-CZ3 3.59Å; W279-W281 HydrophobicContact CD2-CZ3 3.59Å; W279-W281 AromaticContact CE2-CE3 3.74Å; W279-W281 AromaticContact CE2-CZ3 3.33Å; W279-W281 HydrophobicContact CE3-CH2 4.44Å; W279-W281 AromaticContact CE3-CZ3 3.81Å; W279-W281 HydrophobicContact CE3-CZ3 3.81Å; W279-W281 HydrophobicContact CG-CZ3 4.27Å; W279-W281 AromaticContact CH2-CH2 3.67Å; W279-W281 HydrophobicContact CH2-CH2 3.67Å; W279-W281 AromaticContact CH2-CZ3 3.61Å; W279-W281 HydrophobicContact CH2-CZ3 3.61Å; W279-W281 HydrophobicContact CZ2-CE3 4.01Å; W279-W281 AromaticContact CZ2-CH2 3.78Å; W279-W281 HydrophobicContact CZ2-CH2 3.78Å; W279-W281 AromaticContact CZ2-CZ3 3.37Å; W279-W281 HydrophobicContact CZ2-CZ3 3.37Å; W279-W281 HydrophobicContact CZ3-CH2 4.01Å; W279-W281 AromaticContact CZ3-CZ3 3.81Å; W279-W281 HydrophobicContact CZ3-CZ3 3.81Å; W279-W281 AromaticContact NE1-CE3 3.75Å; W279-W281 AromaticContact NE1-CZ3 3.84Å; W279-W291 HydrophobicContact CB-CB 4.36Å; W279-W291 AromaticContact CE3-CD1 3.82Å; W279-W291 AromaticContact CE3-CD2 3.76Å; W279-W291 HydrophobicContact CE3-CD2 3.76Å; W279-W291 AromaticContact CE3-CE2 3.76Å; W279-W291 HydrophobicContact CE3-CE3 4.34Å; W279-W291 AromaticContact CE3-CG 3.84Å; W279-W291 HydrophobicContact CE3-CG 3.84Å; W279-W291 HydrophobicContact CE3-CZ2 4.35Å; W279-W291 AromaticContact CE3-NE1 3.79Å; W279-W291 HydrophobicContact CH2-CZ2 4.47Å; W279-W291 AromaticContact CZ3-CD2 3.96Å; W279-W291 HydrophobicContact CZ3-CD2 3.96Å; W279-W291 AromaticContact CZ3-CE2 3.53Å; W279-W291 HydrophobicContact CZ3-CE3 4.43Å; W279-W291 HydrophobicContact CZ3-CG 4.44Å; W279-W291 HydrophobicContact CZ3-CH2 4.2Å; W279-W291 AromaticContact CZ3-CZ2 3.68Å; W279-W291 HydrophobicContact CZ3-CZ2 3.68Å; W279-W291 AromaticContact CZ3-NE1 3.78Å; W279-W291 WeakPolarHBondContact O-CB 3.28Å; W279-W291 PolarHBondContact O-N 2.98Å; W279-A306 HydrophobicContact CB-CB 4.3Å; W279-A306 HydrophobicContact CE3-CB 3.98Å; W279-A306 PolarHBondContact N-O 3.02Å; W279-Y341 HydrophobicContact CH2-CE2 4.03Å; W279-Y341 HydrophobicContact CZ3-CD2 4.39Å; W279-Y341 AromaticContact CZ3-CE2 3.86Å; W279-Y341 HydrophobicContact CZ3-CE2 3.86Å
280	D	94.8	Very high	93.5	Very high	81 Å²	81	64.4 Å²	64.4	43%	0.433	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157	179.7	66.8	-51.3	0	0	0	112.2	H288 V289 V290	D280-H288 IonicContact OD2-CD2 2.72Å; D280-H288 IonicContact OD2-CE1 2.68Å; D280-H288 PolarHBondContact OD2-CE1 3.22Å; D280-H288 IonicContact OD2-NE2 2.73Å; D280-H288 PolarHBondContact OD2-NE2 2.91Å; D280-V289 CarbonylContact C-O 3.57Å; D280-V289 WeakPolarHBondContact CA-O 3.2Å; D280-V289 WeakPolarHBondContact CB-O 3.2Å; D280-V290 HydrophobicContact CB-CB 4.34Å; D280-V290 HydrophobicContact CB-CG1 4.26Å; D280-V290 HydrophobicContact CB-CG2 4.07Å
281	W	93.2	Very high	93.6	Very high	72 Å²	72	61.3 Å²	61.3	27%	0.273	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	164.1	176.1	66.5	95.3	0	0	0	111.4	W279 V289 W291	W279-W281 HydrophobicContact CD2-CE3 4.2Å; W279-W281 AromaticContact CD2-CZ3 3.59Å; W279-W281 HydrophobicContact CD2-CZ3 3.59Å; W279-W281 AromaticContact CE2-CE3 3.74Å; W279-W281 AromaticContact CE2-CZ3 3.33Å; W279-W281 HydrophobicContact CE3-CH2 4.44Å; W279-W281 AromaticContact CE3-CZ3 3.81Å; W279-W281 HydrophobicContact CE3-CZ3 3.81Å; W279-W281 HydrophobicContact CG-CZ3 4.27Å; W279-W281 AromaticContact CH2-CH2 3.67Å; W279-W281 HydrophobicContact CH2-CH2 3.67Å; W279-W281 AromaticContact CH2-CZ3 3.61Å; W279-W281 HydrophobicContact CH2-CZ3 3.61Å; W279-W281 HydrophobicContact CZ2-CE3 4.01Å; W279-W281 AromaticContact CZ2-CH2 3.78Å; W279-W281 HydrophobicContact CZ2-CH2 3.78Å; W279-W281 AromaticContact CZ2-CZ3 3.37Å; W279-W281 HydrophobicContact CZ2-CZ3 3.37Å; W279-W281 HydrophobicContact CZ3-CH2 4.01Å; W279-W281 AromaticContact CZ3-CZ3 3.81Å; W279-W281 HydrophobicContact CZ3-CZ3 3.81Å; W279-W281 AromaticContact NE1-CE3 3.75Å; W279-W281 AromaticContact NE1-CZ3 3.84Å; W281-V289 HydrophobicContact CD2-CB 4.1Å; W281-V289 HydrophobicContact CD2-CG1 4.25Å; W281-V289 HydrophobicContact CE3-CG1 4.36Å; W281-V289 HydrophobicContact CH2-CG1 3.83Å; W281-V289 HydrophobicContact CZ2-CB 4.17Å; W281-V289 HydrophobicContact CZ2-CG1 3.62Å; W281-V289 HydrophobicContact CZ3-CG1 4.16Å; W281-V289 PolarHBondContact N-O 2.94Å; W281-V289 PolarHBondContact O-N 3.41Å; W281-W291 AromaticContact CH2-CD1 3.9Å; W281-W291 AromaticContact CH2-CE2 3.99Å; W281-W291 HydrophobicContact CH2-CZ2 4.38Å; W281-W291 AromaticContact CH2-NE1 3.09Å; W281-W291 AromaticContact CZ3-CD1 3.46Å; W281-W291 VanDerWaalsContact CZ3-CD1 3.46Å; W281-W291 AromaticContact CZ3-NE1 3.14Å
282	N	93.1	Very high	93.5	Very high	114 Å²	114	57.9 Å²	57.9	61%	0.61	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.3	169.6	-68.2	-22.8	0	0	0	110.1	E287 H288	N282-E287 CarbonylContact C-O 3.56Å; N282-E287 WeakPolarHBondContact CA-O 3.42Å; N282-H288 WeakPolarHBondContact OD1-CB 3.29Å; N282-H288 PolarHBondContact OD1-CD2 3.17Å
283	T	87.8	Confident	93.3	Very high	41 Å²	41	60.3 Å²	60.3	25%	0.252	35%	0.354	S	S	.	.			trans	-76.1	165.4	170.4	68.8	0	0	0	0	110.9	A285 G286 E287 V289	T283-A285 PolarHBondContact O-N 2.77Å; T283-A285 PolarHBondContact OG1-N 3.33Å; T283-G286 PolarHBondContact O-N 2.94Å; T283-E287 HydrophobicContact CG2-CB 4.26Å; T283-E287 PolarHBondContact N-O 3.02Å; T283-E287 WeakPolarHBondContact OG1-CB 3.35Å; T283-E287 PolarHBondContact OG1-N 3.19Å; T283-E287 VanDerWaalsContact OG1-N 3.11Å; T283-E287 PolarHBondContact OG1-O 2.8Å; T283-V289 HydrophobicContact CG2-CG2 3.66Å
284	T	86.3	Confident	93.1	Very high	161 Å²	161	62.1 Å²	62.1	99%	0.988	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.5	171.4	46.3	0	0	0	0	113.3	G286	T284-G286 VanDerWaalsContact C-N 3.31Å
285	A	86.2	Confident	92.9	Very high	92 Å²	92	60.2 Å²	60.2	76%	0.76	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	0.8	173	0	0	0	0	0	113.7	T283	T283-A285 PolarHBondContact O-N 2.77Å; T283-A285 PolarHBondContact OG1-N 3.33Å
286	G	85.6	Confident	92.8	Very high	62 Å²	62	58.8 Å²	58.8	64%	0.639	35%	0.346	S	S	*	.	S	Bend	trans	82.2	7.4	-179.5	0	0	0	0	0	115.1	T283 T284	T283-G286 PolarHBondContact O-N 2.94Å; T284-G286 VanDerWaalsContact C-N 3.31Å
287	E	89.9	Confident	92.7	Very high	130 Å²	130	57.9 Å²	57.9	61%	0.607	34%	0.337	S	S	*	.			trans	-77.8	128.9	175.5	-171.3	-174.6	-179.7	0	0	110.5	N282 T283 V289	N282-E287 CarbonylContact C-O 3.56Å; N282-E287 WeakPolarHBondContact CA-O 3.42Å; T283-E287 HydrophobicContact CG2-CB 4.26Å; T283-E287 PolarHBondContact N-O 3.02Å; T283-E287 WeakPolarHBondContact OG1-CB 3.35Å; T283-E287 PolarHBondContact OG1-N 3.19Å; T283-E287 VanDerWaalsContact OG1-N 3.11Å; T283-E287 PolarHBondContact OG1-O 2.8Å; E287-V289 PolarHBondContact O-N 3.35Å
288	H	90.8	Very high	92.5	Very high	104 Å²	104	56.9 Å²	56.9	48%	0.481	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.5	175.5	-175.1	-141.5	0	0	0	110.1	D280 N282 V290	D280-H288 IonicContact OD2-CD2 2.72Å; D280-H288 IonicContact OD2-CE1 2.68Å; D280-H288 PolarHBondContact OD2-CE1 3.22Å; D280-H288 IonicContact OD2-NE2 2.73Å; D280-H288 PolarHBondContact OD2-NE2 2.91Å; N282-H288 WeakPolarHBondContact OD1-CB 3.29Å; N282-H288 PolarHBondContact OD1-CD2 3.17Å; H288-V290 WeakPolarHBondContact CE1-CG2 3.44Å; H288-V290 WeakPolarHBondContact ND1-CG2 3.31Å
289	V	91.1	Very high	91.9	Very high	19 Å²	19	60.8 Å²	60.8	12%	0.115	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.5	-178.1	176.9	0	0	0	0	109.1	D280 W281 T283 E287 L303	D280-V289 CarbonylContact C-O 3.57Å; D280-V289 WeakPolarHBondContact CA-O 3.2Å; D280-V289 WeakPolarHBondContact CB-O 3.2Å; W281-V289 HydrophobicContact CD2-CB 4.1Å; W281-V289 HydrophobicContact CD2-CG1 4.25Å; W281-V289 HydrophobicContact CE3-CG1 4.36Å; W281-V289 HydrophobicContact CH2-CG1 3.83Å; W281-V289 HydrophobicContact CZ2-CB 4.17Å; W281-V289 HydrophobicContact CZ2-CG1 3.62Å; W281-V289 HydrophobicContact CZ3-CG1 4.16Å; W281-V289 PolarHBondContact N-O 2.94Å; W281-V289 PolarHBondContact O-N 3.41Å; T283-V289 HydrophobicContact CG2-CG2 3.66Å; E287-V289 PolarHBondContact O-N 3.35Å; V289-L303 HydrophobicContact CG1-CD1 3.42Å; V289-L303 VanDerWaalsContact CG1-CD1 3.42Å
290	V	94.2	Very high	91.5	Very high	63 Å²	63	62.2 Å²	62.2	38%	0.382	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	117.1	-170.8	-172.6	0	0	0	0	111.8	V278 D280 H288 G292	V278-V290 HydrophobicContact CG1-CG1 3.71Å; D280-V290 HydrophobicContact CB-CB 4.34Å; D280-V290 HydrophobicContact CB-CG1 4.26Å; D280-V290 HydrophobicContact CB-CG2 4.07Å; H288-V290 WeakPolarHBondContact CE1-CG2 3.44Å; H288-V290 WeakPolarHBondContact ND1-CG2 3.31Å; V290-G292 PolarHBondContact O-N 2.84Å
291	W	95.3	Very high	91.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.364	C	S	.	.			trans	-86.4	54.9	175.1	-66	62.8	0	0	0	110.9	W279 W281 L303 P304 W305 A306 Y339 Y341 A406	W279-W291 HydrophobicContact CB-CB 4.36Å; W279-W291 AromaticContact CE3-CD1 3.82Å; W279-W291 AromaticContact CE3-CD2 3.76Å; W279-W291 HydrophobicContact CE3-CD2 3.76Å; W279-W291 AromaticContact CE3-CE2 3.76Å; W279-W291 HydrophobicContact CE3-CE3 4.34Å; W279-W291 AromaticContact CE3-CG 3.84Å; W279-W291 HydrophobicContact CE3-CG 3.84Å; W279-W291 HydrophobicContact CE3-CZ2 4.35Å; W279-W291 AromaticContact CE3-NE1 3.79Å; W279-W291 HydrophobicContact CH2-CZ2 4.47Å; W279-W291 AromaticContact CZ3-CD2 3.96Å; W279-W291 HydrophobicContact CZ3-CD2 3.96Å; W279-W291 AromaticContact CZ3-CE2 3.53Å; W279-W291 HydrophobicContact CZ3-CE3 4.43Å; W279-W291 HydrophobicContact CZ3-CG 4.44Å; W279-W291 HydrophobicContact CZ3-CH2 4.2Å; W279-W291 AromaticContact CZ3-CZ2 3.68Å; W279-W291 HydrophobicContact CZ3-CZ2 3.68Å; W279-W291 AromaticContact CZ3-NE1 3.78Å; W279-W291 WeakPolarHBondContact O-CB 3.28Å; W279-W291 PolarHBondContact O-N 2.98Å; W281-W291 AromaticContact CH2-CD1 3.9Å; W281-W291 AromaticContact CH2-CE2 3.99Å; W281-W291 HydrophobicContact CH2-CZ2 4.38Å; W281-W291 AromaticContact CH2-NE1 3.09Å; W281-W291 AromaticContact CZ3-CD1 3.46Å; W281-W291 VanDerWaalsContact CZ3-CD1 3.46Å; W281-W291 AromaticContact CZ3-NE1 3.14Å; W291-L303 HydrophobicContact CD2-CB 4.09Å; W291-L303 HydrophobicContact CE3-CB 4.45Å; W291-L303 HydrophobicContact CG-CB 4.34Å; W291-L303 HydrophobicContact CH2-CD2 4.23Å; W291-L303 HydrophobicContact CZ2-CD2 3.74Å; W291-P304 WeakPolarHBondContact CB-O 3.47Å; W291-P304 HydrophobicContact CE3-CG 3.67Å; W291-P304 HydrophobicContact CH2-CG 4.43Å; W291-P304 HydrophobicContact CZ3-CG 3.4Å; W291-P304 VanDerWaalsContact CZ3-CG 3.4Å; W291-W305 WeakPolarHBondContact O-CA 3.5Å; W291-A306 HydrophobicContact CB-CB 3.73Å; W291-A306 HydrophobicContact CD2-CB 3.93Å; W291-A306 HydrophobicContact CE3-CB 3.49Å; W291-A306 VanDerWaalsContact CE3-CB 3.49Å; W291-A306 HydrophobicContact CG-CB 4.06Å; W291-A306 HydrophobicContact CZ3-CB 4.35Å; W291-A306 PolarHBondContact O-N 3.08Å; W291-A306 VanDerWaalsContact O-N 3.12Å; W291-Y339 HydrophobicContact CH2-CD2 4.46Å; W291-Y339 AromaticContact CH2-CG 3.97Å; W291-Y339 HydrophobicContact CH2-CG 3.97Å; W291-Y339 HydrophobicContact CZ2-CD1 4.12Å; W291-Y339 HydrophobicContact CZ2-CD2 4.14Å; W291-Y339 AromaticContact CZ2-CG 3.83Å; W291-Y339 HydrophobicContact CZ2-CG 3.83Å; W291-Y341 AromaticContact CH2-CD2 3.83Å; W291-Y341 HydrophobicContact CH2-CD2 3.83Å; W291-Y341 HydrophobicContact CH2-CE2 4.19Å; W291-Y341 HydrophobicContact CZ3-CD2 4.13Å; W291-A406 HydrophobicContact CZ3-CB 4.03Å
292	G	94.8	Very high	91	Very high	9 Å²	9	61.4 Å²	61.4	9%	0.093	36%	0.362	C	S	.	.			trans	-79.8	166.4	-168.2	0	0	0	0	0	114.5	V290 S294 G295	V290-G292 PolarHBondContact O-N 2.84Å; G292-S294 PolarHBondContact O-N 2.79Å; G292-G295 PolarHBondContact O-N 2.73Å
293	K	94.8	Very high	90.9	Very high	72 Å²	72	57.3 Å²	57.3	31%	0.313	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-51.3	-29.4	175.5	57.8	171.5	176	166.8	0	114.9	D270 L273 V275 G295 A296	D270-K293 WeakPolarHBondContact O-CE 3.41Å; D270-K293 PolarHBondContact O-NZ 2.89Å; L273-K293 HydrophobicContact CB-CB 4.23Å; L273-K293 HydrophobicContact CB-CD 3.96Å; L273-K293 HydrophobicContact CB-CG 4.49Å; L273-K293 WeakPolarHBondContact O-CD 3.4Å; L273-K293 PolarHBondContact O-NZ 3.11Å; V275-K293 HydrophobicContact CG1-CB 3.82Å; V275-K293 HydrophobicContact CG2-CB 4.23Å; K293-G295 VanDerWaalsContact C-N 3.25Å; K293-G295 PolarHBondContact O-N 2.68Å; K293-A296 WeakPolarHBondContact O-CB 3.35Å; K293-A296 PolarHBondContact O-N 2.88Å
294	S	92.5	Very high	91.3	Very high	40 Å²	40	55.4 Å²	55.4	28%	0.28	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-72.6	-18.4	180	68.7	0	0	0	0	112.9	D270 G292 K300	D270-S294 WeakPolarHBondContact OD2-CB 3.42Å; G292-S294 PolarHBondContact O-N 2.79Å; S294-K300 VanDerWaalsContact O-CD 3.27Å; S294-K300 WeakPolarHBondContact O-CD 3.24Å; S294-K300 PolarHBondContact O-NZ 2.8Å
295	G	93.9	Very high	91.9	Very high	9 Å²	9	47.7 Å²	47.7	9%	0.093	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-83.2	-15.3	174.5	0	0	0	0	0	114.1	G292 K293 R297 L303	G292-G295 PolarHBondContact O-N 2.73Å; K293-G295 VanDerWaalsContact C-N 3.25Å; K293-G295 PolarHBondContact O-N 2.68Å; G295-R297 PolarHBondContact O-N 2.85Å; G295-L303 VanDerWaalsContact CA-O 3.24Å; G295-L303 WeakPolarHBondContact CA-O 3.39Å
296	A	95.9	Very high	92.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.			trans	-72.6	5.2	-178.8	0	0	0	0	0	115.4	K293 W305 L316 K408 L409	K293-A296 WeakPolarHBondContact O-CB 3.35Å; K293-A296 PolarHBondContact O-N 2.88Å; A296-W305 HydrophobicContact CB-CB 3.73Å; A296-L316 HydrophobicContact CB-CD1 3.28Å; A296-K408 CarbonylContact O-C 3.53Å; A296-K408 WeakPolarHBondContact O-CA 3.46Å; A296-L409 PolarHBondContact O-N 2.89Å
297	R	95.8	Very high	93	Very high	20 Å²	20	40.4 Å²	40.4	8%	0.075	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-83	129.6	-176.5	-63.3	172.7	176.2	-82.5	-1.2	109.4	L263 V268 D270 G295 K300	L263-R297 WeakPolarHBondContact O-CB 3.48Å; L263-R297 WeakPolarHBondContact O-CD 3.46Å; L263-R297 VanDerWaalsContact O-CG 3.25Å; L263-R297 WeakPolarHBondContact O-CG 3.23Å; L263-R297 PolarHBondContact O-NH1 3.02Å; V268-R297 PolarHBondContact O-NH1 2.89Å; V268-R297 PolarHBondContact O-NH2 3.08Å; D270-R297 IonicContact OD1-CZ 3.95Å; D270-R297 IonicContact OD1-NE 3.49Å; D270-R297 PolarHBondContact OD1-NE 3.14Å; D270-R297 IonicContact OD1-NH2 2.9Å; D270-R297 PolarHBondContact OD1-NH2 2.82Å; G295-R297 PolarHBondContact O-N 2.85Å; R297-K300 HydrophobicContact CB-CB 3.94Å; R297-K300 HydrophobicContact CB-CD 4.3Å; R297-K300 PolarHBondContact O-N 2.85Å
298	L	92.5	Very high	93.3	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.042	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	144	175.6	-163.6	66.5	0	0	0	111	E264 K300 V330 T332 L409 E410	E264-L298 WeakPolarHBondContact CG-O 3.3Å; L298-K300 PolarHBondContact O-N 3.44Å; L298-V330 HydrophobicContact CD1-CG1 4.21Å; L298-V330 HydrophobicContact CD2-CB 4.23Å; L298-V330 HydrophobicContact CD2-CG1 3.87Å; L298-T332 HydrophobicContact CD1-CG2 3.64Å; L298-L409 PolarHBondContact N-O 3Å; L298-E410 HydrophobicContact CB-CB 3.76Å; L298-E410 HydrophobicContact CD2-CB 3.67Å; L298-E410 HydrophobicContact CG-CB 4.34Å
299	K	86	Confident	93.6	Very high	128 Å²	128	35.1 Å²	35.1	56%	0.557	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	-3.8	-177.2	-46.8	-162.2	-155.5	118.3	0	117.4	E264 P301	E264-K299 HydrophobicContact CG-CB 4.37Å; E264-K299 VanDerWaalsContact OE1-CD 3.3Å; E264-K299 WeakPolarHBondContact OE1-CD 3.45Å; E264-K299 WeakPolarHBondContact OE1-CE 3.27Å; E264-K299 IonicContact OE1-NZ 2.75Å; E264-K299 PolarHBondContact OE1-NZ 3.2Å; E264-K299 VanDerWaalsContact OE2-CE 3.29Å; E264-K299 WeakPolarHBondContact OE2-CE 3.42Å; E264-K299 IonicContact OE2-NZ 2.98Å; E264-K299 PolarHBondContact OE2-NZ 2.97Å; K299-P301 WeakPolarHBondContact O-CD 3.21Å
300	K	87.9	Confident	93.8	Very high	82 Å²	82	35.9 Å²	35.9	36%	0.357	21%	0.209	S	C	.	.			trans	-66.1	125.3	171.9	-176.3	177	169.9	-176.5	0	109.4	S294 R297 L298 K408	S294-K300 VanDerWaalsContact O-CD 3.27Å; S294-K300 WeakPolarHBondContact O-CD 3.24Å; S294-K300 PolarHBondContact O-NZ 2.8Å; R297-K300 HydrophobicContact CB-CB 3.94Å; R297-K300 HydrophobicContact CB-CD 4.3Å; R297-K300 PolarHBondContact O-N 2.85Å; L298-K300 PolarHBondContact O-N 3.44Å; K300-K408 PolarHBondContact O-NZ 2.77Å
301	P	87.8	Confident	93.9	Very high	113 Å²	113	35.3 Å²	35.3	73%	0.734	20%	0.203	S	C	*	.	S	Bend	trans	-63.6	146.1	175.1	-22	33.8	0	0	0	112	K299	K299-P301 WeakPolarHBondContact O-CD 3.21Å
302	G	88.1	Confident	94	Very high	22 Å²	22	44 Å²	44	23%	0.227	24%	0.236	C	C	.	.	S	Bend	trans	101	-175.1	176.1	0	0	0	0	0	113.5	D335 K408	G302-D335 PolarHBondContact N-OD2 3.05Å; G302-K408 WeakPolarHBondContact O-CE 3.34Å; G302-K408 PolarHBondContact O-NZ 3.34Å
303	L	93	Very high	94.1	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.152	27%	0.268	C	S	.	.			trans	-62.1	135.3	-164.2	-57	170.7	0	0	0	112.1	V289 W291 G295	V289-L303 HydrophobicContact CG1-CD1 3.42Å; V289-L303 VanDerWaalsContact CG1-CD1 3.42Å; W291-L303 HydrophobicContact CD2-CB 4.09Å; W291-L303 HydrophobicContact CE3-CB 4.45Å; W291-L303 HydrophobicContact CG-CB 4.34Å; W291-L303 HydrophobicContact CH2-CD2 4.23Å; W291-L303 HydrophobicContact CZ2-CD2 3.74Å; G295-L303 VanDerWaalsContact CA-O 3.24Å; G295-L303 WeakPolarHBondContact CA-O 3.39Å
304	P	95.7	Very high	94.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.			trans	-69.5	174.3	174.6	33.2	-37.7	0	0	0	110.8	W291 A306 A406 K408	W291-P304 WeakPolarHBondContact CB-O 3.47Å; W291-P304 HydrophobicContact CE3-CG 3.67Å; W291-P304 HydrophobicContact CH2-CG 4.43Å; W291-P304 HydrophobicContact CZ3-CG 3.4Å; W291-P304 VanDerWaalsContact CZ3-CG 3.4Å; P304-A306 PolarHBondContact O-N 2.84Å; P304-A406 HydrophobicContact CG-CB 3.79Å; P304-K408 HydrophobicContact CB-CD 4.41Å; P304-K408 HydrophobicContact CB-CG 3.59Å
305	W	97.3	Very high	94.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-70.4	133.3	167.1	165.7	65.9	0	0	0	110.3	V275 S277 W291 A296 P307 Q314 W315 L316 P398 I405 A406 L407	V275-W305 HydrophobicContact CB-CZ2 4.15Å; V275-W305 HydrophobicContact CG1-CD2 3.95Å; V275-W305 HydrophobicContact CG1-CG 3.93Å; V275-W305 HydrophobicContact CG1-CZ2 4.27Å; S277-W305 PolarHBondContact O-NE1 3.1Å; W291-W305 WeakPolarHBondContact O-CA 3.5Å; A296-W305 HydrophobicContact CB-CB 3.73Å; W305-P307 HydrophobicContact CH2-CG 4.35Å; W305-P307 HydrophobicContact CZ2-CB 3.91Å; W305-P307 HydrophobicContact CZ2-CG 4.11Å; W305-Q314 HydrophobicContact CH2-CB 4.39Å; W305-W315 VanDerWaalsContact CH2-C 3.47Å; W305-W315 WeakPolarHBondContact CZ2-O 3.44Å; W305-L316 HydrophobicContact CB-CD1 4.17Å; W305-L316 HydrophobicContact CD2-CB 4.29Å; W305-L316 HydrophobicContact CD2-CD1 4.04Å; W305-L316 HydrophobicContact CE3-CB 3.8Å; W305-L316 HydrophobicContact CE3-CD1 3.81Å; W305-L316 HydrophobicContact CE3-CG 4.44Å; W305-L316 HydrophobicContact CG-CD1 4.2Å; W305-L316 HydrophobicContact CH2-CB 4.16Å; W305-L316 HydrophobicContact CZ3-CB 3.73Å; W305-P398 HydrophobicContact CZ3-CG 4.49Å; W305-I405 HydrophobicContact CH2-CG2 4.39Å; W305-I405 HydrophobicContact CZ3-CG2 4.1Å; W305-A406 WeakPolarHBondContact O-CA 3.32Å; W305-L407 HydrophobicContact CE3-CB 4.19Å; W305-L407 HydrophobicContact CE3-CD2 4.48Å; W305-L407 HydrophobicContact CZ3-CD2 4.43Å; W305-L407 PolarHBondContact N-O 2.86Å; W305-L407 PolarHBondContact O-N 3.45Å
306	A	97.6	Very high	94.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	S	.	.			trans	-134.8	136.9	166.7	0	0	0	0	0	110.3	V278 W279 W291 P304 I405	V278-A306 CarbonylContact C-O 3.17Å; W279-A306 HydrophobicContact CB-CB 4.3Å; W279-A306 HydrophobicContact CE3-CB 3.98Å; W279-A306 PolarHBondContact N-O 3.02Å; W291-A306 HydrophobicContact CB-CB 3.73Å; W291-A306 HydrophobicContact CD2-CB 3.93Å; W291-A306 HydrophobicContact CE3-CB 3.49Å; W291-A306 VanDerWaalsContact CE3-CB 3.49Å; W291-A306 HydrophobicContact CG-CB 4.06Å; W291-A306 HydrophobicContact CZ3-CB 4.35Å; W291-A306 PolarHBondContact O-N 3.08Å; W291-A306 VanDerWaalsContact O-N 3.12Å; P304-A306 PolarHBondContact O-N 2.84Å; A306-I405 WeakPolarHBondContact CA-O 3.44Å; A306-I405 WeakPolarHBondContact CB-O 3.27Å
307	P	97.9	Very high	94.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.			trans	-76.6	157	170.7	32	-34.2	0	0	0	112.1	S277 W305 P309 Q314 R404 I405	S277-P307 WeakPolarHBondContact OG-CA 2.91Å; S277-P307 WeakPolarHBondContact OG-CB 3.38Å; W305-P307 HydrophobicContact CH2-CG 4.35Å; W305-P307 HydrophobicContact CZ2-CB 3.91Å; W305-P307 HydrophobicContact CZ2-CG 4.11Å; P307-P309 WeakPolarHBondContact CB-O 3.36Å; P307-P309 VanDerWaalsContact CG-O 3.32Å; P307-P309 WeakPolarHBondContact CG-O 3.49Å; P307-Q314 HydrophobicContact CB-CB 4Å; P307-Q314 HydrophobicContact CB-CG 3.65Å; P307-Q314 HydrophobicContact CG-CB 3.89Å; P307-Q314 HydrophobicContact CG-CG 3.71Å; P307-R404 PolarHBondContact O-NH1 2.83Å; P307-I405 VanDerWaalsContact CD-CG2 3.46Å; P307-I405 HydrophobicContact CG-CB 3.75Å; P307-I405 HydrophobicContact CG-CD1 3.91Å; P307-I405 HydrophobicContact CG-CG1 4.4Å; P307-I405 HydrophobicContact CG-CG2 3.83Å
308	S	96.7	Very high	95	Very high	65 Å²	65	49.4 Å²	49.4	46%	0.455	25%	0.252	S	S	.	.	S	Bend	trans	-62.4	-61.6	178.1	169	0	0	0	0	111.1	S277 V278 R404	S277-S308 PolarHBondContact OG-N 2.89Å; V278-S308 WeakPolarHBondContact O-CB 3.39Å; S308-R404 PolarHBondContact O-NH2 2.94Å
309	P	96.8	Very high	95.3	Very high	58 Å²	58	49.5 Å²	49.5	38%	0.377	25%	0.252	S	S	.	.	S	Bend	trans	-80.1	142.1	162.7	33.8	-34.4	0	0	0	110.8	P307 D311 Q314	P307-P309 WeakPolarHBondContact CB-O 3.36Å; P307-P309 VanDerWaalsContact CG-O 3.32Å; P307-P309 WeakPolarHBondContact CG-O 3.49Å; P309-D311 WeakPolarHBondContact CB-OD2 3.46Å; P309-D311 WeakPolarHBondContact CG-OD2 3.36Å; P309-Q314 WeakPolarHBondContact O-CG 3.43Å
310	S	95.7	Very high	95.8	Very high	36 Å²	36	44 Å²	44	25%	0.252	23%	0.228	S	C	.	.			trans	-96.6	92.6	166.7	-72	0	0	0	0	109.5	W401 I405	S310-W401 WeakPolarHBondContact O-CZ2 3.48Å; S310-I405 PolarHBondContact OG-N 2.87Å; S310-I405 VanDerWaalsContact OG-N 3.08Å
311	D	97	Very high	96.2	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	23%	0.232	S	C	.	.	S	Bend	trans	-138	172.5	178.8	67.7	54.2	0	0	0	111.8	P309 Q313 Q314 I405	P309-D311 WeakPolarHBondContact CB-OD2 3.46Å; P309-D311 WeakPolarHBondContact CG-OD2 3.36Å; D311-Q313 VanDerWaalsContact C-N 3.26Å; D311-Q313 PolarHBondContact O-N 2.77Å; D311-Q313 WeakPolarHBondContact OD1-CA 3.32Å; D311-Q313 VanDerWaalsContact OD1-CB 3.28Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.42Å; D311-Q313 PolarHBondContact OD1-N 3.15Å; D311-Q314 VanDerWaalsContact CG-NE2 3.33Å; D311-Q314 WeakPolarHBondContact O-CG 3.49Å; D311-Q314 PolarHBondContact O-N 2.87Å; D311-Q314 WeakPolarHBondContact OD1-CG 3.49Å; D311-Q314 PolarHBondContact OD1-N 3.35Å; D311-Q314 PolarHBondContact OD1-NE2 3.13Å; D311-Q314 PolarHBondContact OD2-NE2 3.19Å; D311-I405 WeakPolarHBondContact O-CD1 3.42Å
312	R	96.6	Very high	96.5	Very high	182 Å²	182	49.8 Å²	49.8	69%	0.687	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.6	-177.2	-63.5	-173.6	174.2	155.3	2.6	114.8	N397 T399 W401	R312-N397 PolarHBondContact O-ND2 2.81Å; R312-T399 PolarHBondContact NE-O 2.73Å; R312-W401 HydrophobicContact CG-CH2 4.14Å; R312-W401 HydrophobicContact CG-CZ3 4.27Å
313	Q	96.9	Very high	96.9	Very high	161 Å²	161	52.3 Å²	52.3	75%	0.752	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.6	175.9	-54.7	-174	-0.6	0	0	112.1	D311	D311-Q313 VanDerWaalsContact C-N 3.26Å; D311-Q313 PolarHBondContact O-N 2.77Å; D311-Q313 WeakPolarHBondContact OD1-CA 3.32Å; D311-Q313 VanDerWaalsContact OD1-CB 3.28Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.42Å; D311-Q313 PolarHBondContact OD1-N 3.15Å
314	Q	98.2	Very high	97.1	Very high	15 Å²	15	53.3 Å²	53.3	7%	0.07	24%	0.242	C	C	.	.			trans	-70.4	148.2	-179.7	-54	-50.7	-56.2	0	0	112.5	S276 S277 W305 P307 P309 D311 N397 P398 I405	S276-Q314 VanDerWaalsContact OG-CA 3.3Å; S276-Q314 WeakPolarHBondContact OG-CA 3.34Å; S276-Q314 PolarHBondContact OG-OE1 3.45Å; S277-Q314 PolarHBondContact OG-OE1 2.91Å; W305-Q314 HydrophobicContact CH2-CB 4.39Å; P307-Q314 HydrophobicContact CB-CB 4Å; P307-Q314 HydrophobicContact CB-CG 3.65Å; P307-Q314 HydrophobicContact CG-CB 3.89Å; P307-Q314 HydrophobicContact CG-CG 3.71Å; P309-Q314 WeakPolarHBondContact O-CG 3.43Å; D311-Q314 VanDerWaalsContact CG-NE2 3.33Å; D311-Q314 WeakPolarHBondContact O-CG 3.49Å; D311-Q314 PolarHBondContact O-N 2.87Å; D311-Q314 WeakPolarHBondContact OD1-CG 3.49Å; D311-Q314 PolarHBondContact OD1-N 3.35Å; D311-Q314 PolarHBondContact OD1-NE2 3.13Å; D311-Q314 PolarHBondContact OD2-NE2 3.19Å; Q314-N397 PolarHBondContact O-ND2 3.19Å; Q314-P398 WeakPolarHBondContact O-CD 3.45Å; Q314-I405 HydrophobicContact CB-CD1 4.03Å; Q314-I405 HydrophobicContact CG-CD1 4.19Å
315	W	97.9	Very high	97.1	Very high	65 Å²	65	56.6 Å²	56.6	25%	0.246	26%	0.255	C	S	.	.			trans	-153.4	152.4	-179.5	55.1	-96.5	0	0	0	112.9	V275 S276 W305 Q317 R395 I396	V275-W315 CarbonylContact C-O 3.56Å; V275-W315 WeakPolarHBondContact CA-O 3.34Å; S276-W315 PolarHBondContact N-O 3.12Å; S276-W315 PolarHBondContact OG-N 3.45Å; S276-W315 PolarHBondContact OG-O 3.07Å; W305-W315 VanDerWaalsContact CH2-C 3.47Å; W305-W315 WeakPolarHBondContact CZ2-O 3.44Å; W315-Q317 HydrophobicContact CE3-CB 3.69Å; W315-Q317 HydrophobicContact CZ3-CB 3.49Å; W315-Q317 VanDerWaalsContact CZ3-CB 3.49Å; W315-R395 HydrophobicContact CD2-CG 4.44Å; W315-R395 HydrophobicContact CE3-CG 4.15Å; W315-I396 VanDerWaalsContact CA-O 3.27Å; W315-I396 WeakPolarHBondContact CA-O 3.48Å
316	L	98.4	Very high	97.2	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.9	165.2	-179.5	158.5	0	0	0	109.2	V275 A296 W305 V318 R395 I396 L409	V275-L316 HydrophobicContact CG1-CB 4.1Å; V275-L316 HydrophobicContact CG1-CD1 4.14Å; V275-L316 HydrophobicContact CG1-CG 3.87Å; A296-L316 HydrophobicContact CB-CD1 3.28Å; W305-L316 HydrophobicContact CB-CD1 4.17Å; W305-L316 HydrophobicContact CD2-CB 4.29Å; W305-L316 HydrophobicContact CD2-CD1 4.04Å; W305-L316 HydrophobicContact CE3-CB 3.8Å; W305-L316 HydrophobicContact CE3-CD1 3.81Å; W305-L316 HydrophobicContact CE3-CG 4.44Å; W305-L316 HydrophobicContact CG-CD1 4.2Å; W305-L316 HydrophobicContact CH2-CB 4.16Å; W305-L316 HydrophobicContact CZ3-CB 3.73Å; L316-V318 HydrophobicContact CD2-CG2 4.05Å; L316-R395 CarbonylContact O-C 3.55Å; L316-R395 VanDerWaalsContact O-CA 3.28Å; L316-R395 WeakPolarHBondContact O-CA 3.48Å; L316-I396 PolarHBondContact N-O 3.45Å; L316-I396 PolarHBondContact O-N 3.38Å; L316-L409 HydrophobicContact CD1-CD2 4.26Å; L316-L409 HydrophobicContact CD2-CD2 3.93Å
317	Q	98.2	Very high	97.1	Very high	21 Å²	21	57.4 Å²	57.4	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.6	-177.7	-177	-178.9	-54.3	0	0	112.1	S274 W315 W357 V394 R395	S274-Q317 PolarHBondContact N-O 3Å; S274-Q317 PolarHBondContact O-N 2.87Å; W315-Q317 HydrophobicContact CE3-CB 3.69Å; W315-Q317 HydrophobicContact CZ3-CB 3.49Å; W315-Q317 VanDerWaalsContact CZ3-CB 3.49Å; Q317-W357 HydrophobicContact CG-CH2 4.14Å; Q317-V394 CarbonylContact C-O 3.51Å; Q317-V394 VanDerWaalsContact CA-O 3.26Å; Q317-V394 WeakPolarHBondContact CA-O 3.2Å; Q317-R395 HydrophobicContact CB-CG 3.75Å; Q317-R395 HydrophobicContact CG-CG 3.95Å; Q317-R395 VanDerWaalsContact OE1-CZ 3.25Å
318	V	98.4	Very high	97.1	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.2	169.4	-173.7	0	0	0	0	109.2	L263 V268 L273 L316 F320 F393 V394 L411	L263-V318 HydrophobicContact CD1-CG1 4.43Å; L263-V318 HydrophobicContact CD1-CG2 4.45Å; L263-V318 HydrophobicContact CD2-CG2 4.15Å; V268-V318 HydrophobicContact CG1-CG1 3.95Å; V268-V318 HydrophobicContact CG2-CG1 4.35Å; L273-V318 HydrophobicContact CD2-CB 4.42Å; L273-V318 HydrophobicContact CD2-CG1 4.32Å; L273-V318 HydrophobicContact CD2-CG2 3.87Å; L316-V318 HydrophobicContact CD2-CG2 4.05Å; V318-F320 HydrophobicContact CB-CZ 4.45Å; V318-F320 HydrophobicContact CG1-CD1 3.96Å; V318-F320 HydrophobicContact CG1-CE1 3.62Å; V318-F320 HydrophobicContact CG1-CE2 4.38Å; V318-F320 HydrophobicContact CG1-CG 4.47Å; V318-F320 HydrophobicContact CG1-CZ 3.86Å; V318-F393 WeakPolarHBondContact O-CA 3.43Å; V318-V394 PolarHBondContact N-O 2.81Å; V318-V394 PolarHBondContact O-N 2.84Å; V318-V394 VanDerWaalsContact O-N 3.08Å; V318-L411 HydrophobicContact CB-CD1 4.38Å; V318-L411 HydrophobicContact CG2-CD1 4.01Å
319	D	98.3	Very high	97.2	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	107.8	167.8	175	11.8	0	0	0	110.1	Q272 R321 R392 F393	Q272-D319 VanDerWaalsContact CB-O 3.29Å; Q272-D319 WeakPolarHBondContact CB-O 3.2Å; Q272-D319 VanDerWaalsContact CG-O 3.29Å; Q272-D319 WeakPolarHBondContact CG-O 3.27Å; Q272-D319 PolarHBondContact NE2-O 3.29Å; Q272-D319 PolarHBondContact O-N 3.36Å; D319-R321 PolarHBondContact O-N 2.83Å; D319-R321 WeakPolarHBondContact OD1-CA 3.21Å; D319-R321 PolarHBondContact OD1-N 3.36Å; D319-R321 WeakPolarHBondContact OD2-CD 3.06Å; D319-R321 IonicContact OD2-CZ 3.73Å; D319-R321 IonicContact OD2-NE 3.88Å; D319-R321 IonicContact OD2-NH1 2.79Å; D319-R321 PolarHBondContact OD2-NH1 3.41Å; D319-R392 WeakPolarHBondContact OD1-CG 3.3Å; D319-R392 IonicContact OD1-CZ 3.44Å; D319-R392 IonicContact OD1-NE 3.46Å; D319-R392 PolarHBondContact OD1-NE 2.89Å; D319-R392 IonicContact OD1-NH2 2.67Å; D319-R392 PolarHBondContact OD1-NH2 3.04Å; D319-R392 IonicContact OD2-CZ 2.86Å; D319-R392 IonicContact OD2-NE 2.68Å; D319-R392 IonicContact OD2-NH2 3.69Å; D319-R392 PolarHBondContact OD2-NH2 3.45Å; D319-F393 HydrophobicContact CB-CD1 3.69Å; D319-F393 HydrophobicContact CB-CE1 3.58Å
320	F	97.4	Very high	97.3	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.053	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	3	178.3	-65.5	-62.3	0	0	0	114.7	L261 V268 V318 R322 K324 I326 R392 V394 L411	L261-F320 HydrophobicContact CB-CD1 4.32Å; L261-F320 HydrophobicContact CB-CE1 3.56Å; L261-F320 HydrophobicContact CB-CZ 4.07Å; L261-F320 HydrophobicContact CD1-CE1 3.82Å; L261-F320 HydrophobicContact CD1-CE2 4.08Å; L261-F320 HydrophobicContact CD1-CZ 3.51Å; L261-F320 HydrophobicContact CG-CE1 4.31Å; L261-F320 HydrophobicContact CG-CZ 4.45Å; V268-F320 HydrophobicContact CG2-CD1 4.18Å; V268-F320 HydrophobicContact CG2-CE1 4.16Å; V318-F320 HydrophobicContact CB-CZ 4.45Å; V318-F320 HydrophobicContact CG1-CD1 3.96Å; V318-F320 HydrophobicContact CG1-CE1 3.62Å; V318-F320 HydrophobicContact CG1-CE2 4.38Å; V318-F320 HydrophobicContact CG1-CG 4.47Å; V318-F320 HydrophobicContact CG1-CZ 3.86Å; F320-R322 WeakPolarHBondContact CB-O 3.34Å; F320-R322 PolarHBondContact O-N 2.88Å; F320-K324 HydrophobicContact CB-CG 3.59Å; F320-K324 HydrophobicContact CD1-CG 4.25Å; F320-K324 HydrophobicContact CD2-CB 4.23Å; F320-K324 HydrophobicContact CD2-CG 3.92Å; F320-K324 HydrophobicContact CG-CB 4.47Å; F320-K324 HydrophobicContact CG-CG 3.67Å; F320-I326 HydrophobicContact CD2-CD1 4.34Å; F320-I326 HydrophobicContact CE2-CD1 3.92Å; F320-I326 HydrophobicContact CE2-CG1 3.84Å; F320-I326 HydrophobicContact CZ-CG1 4.42Å; F320-R392 WeakPolarHBondContact CB-O 3.47Å; F320-R392 WeakPolarHBondContact CD2-O 3.31Å; F320-R392 PolarHBondContact N-O 2.92Å; F320-V394 HydrophobicContact CE2-CG2 3.93Å; F320-L411 HydrophobicContact CE2-CD1 4.29Å; F320-L411 HydrophobicContact CZ-CB 4.08Å; F320-L411 HydrophobicContact CZ-CD1 3.63Å; F320-L411 HydrophobicContact CZ-CG 4.48Å
321	R	95.8	Very high	97.4	Very high	112 Å²	112	50.6 Å²	50.6	42%	0.423	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.9	-27.9	-173.5	-55.7	-62.1	-167.4	-148.6	-0.6	115.5	S271 Q272 D319 R392	S271-R321 PolarHBondContact O-NH2 3.29Å; S271-R321 PolarHBondContact OG-NH2 3.28Å; Q272-R321 HydrophobicContact CG-CG 4.06Å; D319-R321 PolarHBondContact O-N 2.83Å; D319-R321 WeakPolarHBondContact OD1-CA 3.21Å; D319-R321 PolarHBondContact OD1-N 3.36Å; D319-R321 WeakPolarHBondContact OD2-CD 3.06Å; D319-R321 IonicContact OD2-CZ 3.73Å; D319-R321 IonicContact OD2-NE 3.88Å; D319-R321 IonicContact OD2-NH1 2.79Å; D319-R321 PolarHBondContact OD2-NH1 3.41Å; R321-R392 PolarHBondContact O-NE 3.04Å
322	R	95	Very high	97.4	Very high	204 Å²	204	48.8 Å²	48.8	77%	0.77	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.8	175.2	-60.4	-175.3	-178.3	-171.9	0.7	108.9	F320	F320-R322 WeakPolarHBondContact CB-O 3.34Å; F320-R322 PolarHBondContact O-N 2.88Å
323	E	96.1	Very high	97.3	Very high	76 Å²	76	40.2 Å²	40.2	36%	0.355	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	139.4	174	-61	-164.8	161.8	0	0	111.3	K352 R392 P416	E323-K352 VanDerWaalsContact CD-NZ 3.29Å; E323-K352 VanDerWaalsContact OE1-CD 3.23Å; E323-K352 WeakPolarHBondContact OE1-CD 3.3Å; E323-K352 VanDerWaalsContact OE1-CG 3.26Å; E323-K352 WeakPolarHBondContact OE1-CG 3.2Å; E323-K352 IonicContact OE1-NZ 2.87Å; E323-K352 PolarHBondContact OE1-NZ 3.17Å; E323-K352 IonicContact OE2-NZ 2.68Å; E323-K352 PolarHBondContact OE2-NZ 2.81Å; E323-R392 HydrophobicContact CG-CB 4.39Å; E323-P416 WeakPolarHBondContact O-CD 3.49Å
324	K	96.5	Very high	97.1	Very high	49 Å²	49	32.6 Å²	32.6	21%	0.213	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.5	176.7	-62.3	-63.5	-175.3	169	0	109	L261 F320 I326 E390 A391	L261-K324 HydrophobicContact CD1-CB 4.44Å; L261-K324 HydrophobicContact CD2-CD 4.37Å; F320-K324 HydrophobicContact CB-CG 3.59Å; F320-K324 HydrophobicContact CD1-CG 4.25Å; F320-K324 HydrophobicContact CD2-CB 4.23Å; F320-K324 HydrophobicContact CD2-CG 3.92Å; F320-K324 HydrophobicContact CG-CB 4.47Å; F320-K324 HydrophobicContact CG-CG 3.67Å; K324-I326 HydrophobicContact CB-CD1 4.14Å; K324-I326 HydrophobicContact CB-CG1 4.01Å; K324-E390 WeakPolarHBondContact O-CA 3.44Å; K324-A391 PolarHBondContact N-O 3.28Å; K324-A391 PolarHBondContact O-N 3.05Å; K324-A391 VanDerWaalsContact O-N 3.08Å
325	R	97.4	Very high	96.6	Very high	69 Å²	69	34.9 Å²	34.9	26%	0.26	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	100.5	164.5	-178.2	167.3	170.2	-115.8	-2.1	107.1	D255 P388 I389 G413 C414 P416	D255-R325 IonicContact OD2-CZ 3.29Å; D255-R325 IonicContact OD2-NH1 3.27Å; D255-R325 PolarHBondContact OD2-NH1 3.09Å; D255-R325 IonicContact OD2-NH2 3.39Å; D255-R325 PolarHBondContact OD2-NH2 2.66Å; R325-P388 HydrophobicContact CG-CB 3.93Å; R325-I389 CarbonylContact C-O 3.48Å; R325-I389 WeakPolarHBondContact CA-O 3.08Å; R325-G413 CarbonylContact O-C 3.56Å; R325-G413 WeakPolarHBondContact O-CA 3.43Å; R325-C414 PolarHBondContact N-O 3.29Å; R325-C414 PolarHBondContact O-N 3.33Å; R325-P416 HydrophobicContact CB-CG 4.47Å
326	I	97.8	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.2	-176.1	-53.5	114.5	0	0	0	108.8	L261 F320 K324 F385 P388 I389 A391 V394 L411 F412	L261-I326 HydrophobicContact CD1-CB 4.3Å; L261-I326 HydrophobicContact CD1-CG1 3.64Å; L261-I326 HydrophobicContact CD1-CG2 4.16Å; F320-I326 HydrophobicContact CD2-CD1 4.34Å; F320-I326 HydrophobicContact CE2-CD1 3.92Å; F320-I326 HydrophobicContact CE2-CG1 3.84Å; F320-I326 HydrophobicContact CZ-CG1 4.42Å; K324-I326 HydrophobicContact CB-CD1 4.14Å; K324-I326 HydrophobicContact CB-CG1 4.01Å; I326-F385 HydrophobicContact CG2-CD2 3.93Å; I326-F385 HydrophobicContact CG2-CE2 3.78Å; I326-P388 WeakPolarHBondContact O-CA 3.44Å; I326-I389 HydrophobicContact CB-CB 4.31Å; I326-I389 HydrophobicContact CD1-CB 4.37Å; I326-I389 HydrophobicContact CD1-CG2 4.05Å; I326-I389 PolarHBondContact N-O 2.86Å; I326-I389 PolarHBondContact O-N 3.17Å; I326-A391 HydrophobicContact CD1-CB 4.19Å; I326-V394 HydrophobicContact CD1-CG2 3.73Å; I326-V394 HydrophobicContact CG1-CG2 4.43Å; I326-L411 HydrophobicContact CG2-CB 4.42Å; I326-L411 HydrophobicContact CG2-CD2 4.15Å; I326-F412 CarbonylContact C-O 3.5Å; I326-F412 WeakPolarHBondContact CA-O 3.09Å; I326-F412 WeakPolarHBondContact CG2-O 3.14Å
327	T	97.1	Very high	95.6	Very high	18 Å²	18	43.3 Å²	43.3	11%	0.11	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-22.2	-170.2	53.9	0	0	0	0	113.8	C257 N384 F385 P388 F412	C257-T327 HydrophobicContact CB-CG2 4.02Å; C257-T327 WeakPolarHBondContact O-CB 3.46Å; C257-T327 VanDerWaalsContact O-CG2 3.23Å; C257-T327 WeakPolarHBondContact O-CG2 3.29Å; C257-T327 PolarHBondContact O-OG1 3Å; T327-N384 CarbonylContact O-C 3.44Å; T327-N384 WeakPolarHBondContact O-CA 3.5Å; T327-F385 PolarHBondContact O-N 3.16Å; T327-P388 HydrophobicContact CG2-CB 4.1Å; T327-P388 HydrophobicContact CG2-CG 4.17Å; T327-F412 PolarHBondContact N-O 3.39Å; T327-F412 PolarHBondContact OG1-O 2.9Å
328	A	97.6	Very high	95.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	168.6	173.6	0	0	0	0	0	113.2	R382 N383 N384 F412	A328-R382 VanDerWaalsContact CB-NH2 3.27Å; A328-N383 CarbonylContact C-O 3.56Å; A328-N383 VanDerWaalsContact CA-O 3.22Å; A328-N383 WeakPolarHBondContact CA-O 3.29Å; A328-N383 WeakPolarHBondContact CB-O 3.49Å; A328-N384 HydrophobicContact CB-CB 4.41Å; A328-F412 HydrophobicContact CB-CB 4.14Å; A328-F412 HydrophobicContact CB-CD2 4.36Å; A328-F412 PolarHBondContact N-O 3.46Å; A328-F412 PolarHBondContact O-N 3.4Å
329	I	98.4	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145	167.5	-174.8	171.5	0	0	0	109	T331 Y346 R382 N383 F385 I396 L409 E410 L411	I329-T331 HydrophobicContact CD1-CG2 3.73Å; I329-T331 HydrophobicContact CG1-CG2 3.9Å; I329-Y346 HydrophobicContact CD1-CE2 4.35Å; I329-Y346 HydrophobicContact CG2-CE2 4.26Å; I329-Y346 WeakPolarHBondContact CG2-OH 3.49Å; I329-R382 WeakPolarHBondContact O-CA 3.07Å; I329-N383 HydrophobicContact CG2-CB 4.02Å; I329-N383 PolarHBondContact N-O 2.88Å; I329-N383 PolarHBondContact O-N 3.12Å; I329-F385 HydrophobicContact CB-CE2 4.25Å; I329-F385 HydrophobicContact CB-CZ 3.99Å; I329-F385 HydrophobicContact CG2-CE1 4.42Å; I329-F385 HydrophobicContact CG2-CE2 4.35Å; I329-F385 HydrophobicContact CG2-CZ 3.73Å; I329-I396 HydrophobicContact CD1-CD1 3.53Å; I329-I396 HydrophobicContact CD1-CG1 3.93Å; I329-L409 HydrophobicContact CD1-CB 4.37Å; I329-L409 HydrophobicContact CD1-CD1 4.33Å; I329-L409 HydrophobicContact CG1-CB 4.42Å; I329-E410 WeakPolarHBondContact CA-O 3.43Å; I329-L411 HydrophobicContact CB-CD2 3.71Å; I329-L411 HydrophobicContact CD1-CD2 4.03Å; I329-L411 HydrophobicContact CG1-CD2 3.8Å
330	V	98.1	Very high	94.8	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.4	162	171	0	0	0	0	108.1	L298 K380 V381 R382 L409 E410 F412	L298-V330 HydrophobicContact CD1-CG1 4.21Å; L298-V330 HydrophobicContact CD2-CB 4.23Å; L298-V330 HydrophobicContact CD2-CG1 3.87Å; V330-K380 HydrophobicContact CG1-CB 4.04Å; V330-V381 CarbonylContact C-O 3.35Å; V330-V381 VanDerWaalsContact CA-O 3.3Å; V330-V381 WeakPolarHBondContact CA-O 3.34Å; V330-R382 HydrophobicContact CG2-CB 3.95Å; V330-R382 HydrophobicContact CG2-CG 3.91Å; V330-L409 CarbonylContact O-C 3.59Å; V330-L409 WeakPolarHBondContact O-CA 3.42Å; V330-L409 WeakPolarHBondContact O-CB 3.46Å; V330-E410 PolarHBondContact N-O 2.83Å; V330-E410 PolarHBondContact O-N 3.34Å; V330-F412 HydrophobicContact CB-CE2 3.94Å; V330-F412 HydrophobicContact CG2-CD2 4.36Å; V330-F412 HydrophobicContact CG2-CE2 3.48Å; V330-F412 VanDerWaalsContact CG2-CE2 3.48Å; V330-F412 HydrophobicContact CG2-CZ 4.03Å
331	T	97.9	Very high	94.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.5	177.2	61.9	0	0	0	0	111.6	I329 Y346 N374 K380 V381 L407 K408 L409	I329-T331 HydrophobicContact CD1-CG2 3.73Å; I329-T331 HydrophobicContact CG1-CG2 3.9Å; T331-Y346 HydrophobicContact CG2-CE1 3.82Å; T331-N374 WeakPolarHBondContact CB-OD1 3.22Å; T331-N374 PolarHBondContact O-ND2 3.26Å; T331-N374 PolarHBondContact O-OD1 2.83Å; T331-N374 PolarHBondContact OG1-OD1 2.87Å; T331-K380 WeakPolarHBondContact O-CA 3.39Å; T331-V381 PolarHBondContact N-O 2.8Å; T331-V381 PolarHBondContact O-N 2.88Å; T331-L407 HydrophobicContact CG2-CD1 3.84Å; T331-K408 WeakPolarHBondContact CA-O 3.33Å; T331-L409 HydrophobicContact CG2-CB 4.31Å
332	T	96.6	Very high	94.8	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.9	169.1	-171.1	0	0	0	0	109.8	L298 N374 Y377 Q378 D379 K408	L298-T332 HydrophobicContact CD1-CG2 3.64Å; T332-N374 WeakPolarHBondContact CA-ND2 3.43Å; T332-Y377 PolarHBondContact OG1-O 2.85Å; T332-Q378 PolarHBondContact OG1-O 3.21Å; T332-Q378 VanDerWaalsContact OG1-O 3.09Å; T332-D379 VanDerWaalsContact CB-O 3.26Å; T332-D379 WeakPolarHBondContact CB-O 3.37Å; T332-D379 PolarHBondContact OG1-O 2.88Å; T332-K408 HydrophobicContact CG2-CB 3.79Å; T332-K408 HydrophobicContact CG2-CD 4.42Å; T332-K408 HydrophobicContact CG2-CG 4.33Å; T332-K408 PolarHBondContact N-O 2.83Å; T332-K408 PolarHBondContact O-N 2.79Å
333	G	94.9	Very high	94.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	18%	0.182	C	C	.	.			trans	-93	-136.7	-178	0	0	0	0	0	113	Y341 Y377	G333-Y341 WeakPolarHBondContact CA-O 3.5Å; G333-Y377 CarbonylContact C-O 3.19Å; G333-Y377 WeakPolarHBondContact CA-O 3.38Å; G333-Y377 PolarHBondContact N-O 2.89Å
334	S	92.2	Very high	95	Very high	1 Å²	1	39 Å²	39	1%	0.007	18%	0.181	C	C	.	.			trans	-76.3	148.2	172.5	-177	0	0	0	0	112.4	R336 Y339 Y341 Y377	S334-R336 PolarHBondContact OG-N 2.92Å; S334-R336 VanDerWaalsContact OG-N 3.08Å; S334-R336 PolarHBondContact OG-O 3.09Å; S334-Y339 WeakPolarHBondContact CB-O 3.4Å; S334-Y339 PolarHBondContact OG-O 2.72Å; S334-Y341 PolarHBondContact N-O 3.05Å; S334-Y377 PolarHBondContact N-O 2.87Å; S334-Y377 CarbonylContact O-C 3.49Å; S334-Y377 WeakPolarHBondContact O-CD2 3.44Å
335	D	87.9	Confident	95.1	Very high	63 Å²	63	37.5 Å²	37.5	34%	0.337	18%	0.178	S	C	.	.	S	Bend	trans	-89.7	-5.1	168	52	6	0	0	0	113.1	G302 K408	G302-D335 PolarHBondContact N-OD2 3.05Å; D335-K408 VanDerWaalsContact CG-NZ 3.25Å; D335-K408 IonicContact OD1-NZ 3.16Å; D335-K408 IonicContact OD2-NZ 2.91Å; D335-K408 PolarHBondContact OD2-NZ 3.07Å
336	R	87.9	Confident	95.2	Very high	110 Å²	110	34.2 Å²	34.2	42%	0.415	17%	0.165	S	C	.	.			trans	-104.6	127.7	-176.5	-61.9	-166.8	179.9	-160.1	1	112.6	S334 E338 Y339	S334-R336 PolarHBondContact OG-N 2.92Å; S334-R336 VanDerWaalsContact OG-N 3.08Å; S334-R336 PolarHBondContact OG-O 3.09Å; R336-E338 PolarHBondContact O-N 2.87Å; R336-Y339 HydrophobicContact CB-CD2 4.08Å; R336-Y339 CarbonylContact O-C 3.41Å; R336-Y339 VanDerWaalsContact O-C 3.26Å; R336-Y339 PolarHBondContact O-N 2.8Å
337	I	87.8	Confident	95.2	Very high	134 Å²	134	37.8 Å²	37.8	69%	0.687	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.7	174.9	-165.8	167	0	0	0	113.4	Y339 P340	I337-Y339 PolarHBondContact O-N 3.42Å; I337-P340 WeakPolarHBondContact O-CD 3.43Å
338	E	91.1	Very high	95.2	Very high	126 Å²	126	36.9 Å²	36.9	59%	0.589	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.5	172.7	-67.3	165.2	-160.8	0	0	113.2	R336	R336-E338 PolarHBondContact O-N 2.87Å
339	Y	92	Very high	95.3	Very high	59 Å²	59	38 Å²	38	23%	0.231	18%	0.179	C	C	.	.			trans	-132.9	71.4	-174.7	-50.5	-77.9	0	0	0	109.6	W291 S334 R336 I337 Y341	W291-Y339 HydrophobicContact CH2-CD2 4.46Å; W291-Y339 AromaticContact CH2-CG 3.97Å; W291-Y339 HydrophobicContact CH2-CG 3.97Å; W291-Y339 HydrophobicContact CZ2-CD1 4.12Å; W291-Y339 HydrophobicContact CZ2-CD2 4.14Å; W291-Y339 AromaticContact CZ2-CG 3.83Å; W291-Y339 HydrophobicContact CZ2-CG 3.83Å; S334-Y339 WeakPolarHBondContact CB-O 3.4Å; S334-Y339 PolarHBondContact OG-O 2.72Å; R336-Y339 HydrophobicContact CB-CD2 4.08Å; R336-Y339 CarbonylContact O-C 3.41Å; R336-Y339 VanDerWaalsContact O-C 3.26Å; R336-Y339 PolarHBondContact O-N 2.8Å; I337-Y339 PolarHBondContact O-N 3.42Å; Y339-Y341 AromaticContact CD1-CE2 3.94Å; Y339-Y341 HydrophobicContact CD1-CE2 3.94Å; Y339-Y341 HydrophobicContact CG-CE2 4.35Å; Y339-Y341 PolarHBondContact O-N 2.61Å
340	P	94.8	Very high	95.3	Very high	37 Å²	37	40.2 Å²	40.2	24%	0.24	19%	0.189	C	C	.	.			trans	-77.9	52.3	-173.5	34.7	-36.7	0	0	0	111.7	I337 F342 Y377	I337-P340 WeakPolarHBondContact O-CD 3.43Å; P340-F342 WeakPolarHBondContact O-CD1 3.14Å; P340-Y377 HydrophobicContact CB-CD1 3.9Å; P340-Y377 HydrophobicContact CB-CD2 4.36Å; P340-Y377 HydrophobicContact CB-CE1 4.34Å; P340-Y377 HydrophobicContact CB-CG 3.95Å
341	Y	96.3	Very high	95.3	Very high	32 Å²	32	39.5 Å²	39.5	13%	0.125	18%	0.184	C	C	.	.			trans	-94	140.2	-174.8	-53.1	-24.7	0	0	0	110.7	W279 W291 G333 S334 Y339 Q403 R404 A406	W279-Y341 HydrophobicContact CH2-CE2 4.03Å; W279-Y341 HydrophobicContact CZ3-CD2 4.39Å; W279-Y341 AromaticContact CZ3-CE2 3.86Å; W279-Y341 HydrophobicContact CZ3-CE2 3.86Å; W291-Y341 AromaticContact CH2-CD2 3.83Å; W291-Y341 HydrophobicContact CH2-CD2 3.83Å; W291-Y341 HydrophobicContact CH2-CE2 4.19Å; W291-Y341 HydrophobicContact CZ3-CD2 4.13Å; G333-Y341 WeakPolarHBondContact CA-O 3.5Å; S334-Y341 PolarHBondContact N-O 3.05Å; Y339-Y341 AromaticContact CD1-CE2 3.94Å; Y339-Y341 HydrophobicContact CD1-CE2 3.94Å; Y339-Y341 HydrophobicContact CG-CE2 4.35Å; Y339-Y341 PolarHBondContact O-N 2.61Å; Y341-Q403 HydrophobicContact CD1-CB 3.81Å; Y341-Q403 HydrophobicContact CE1-CB 3.87Å; Y341-R404 HydrophobicContact CD2-CB 3.97Å; Y341-R404 HydrophobicContact CD2-CG 4.23Å; Y341-R404 HydrophobicContact CE2-CB 4.35Å; Y341-R404 HydrophobicContact CE2-CG 4.1Å; Y341-R404 HydrophobicContact CG-CB 4.09Å; Y341-A406 VanDerWaalsContact CB-CB 3.47Å
342	F	97.3	Very high	95.3	Very high	14 Å²	14	44.5 Å²	44.5	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	156.9	178.8	56.3	-84.6	0	0	0	112.9	P340 K344 N374 M375 D376 W401 E402	P340-F342 WeakPolarHBondContact O-CD1 3.14Å; F342-K344 HydrophobicContact CD2-CG 4Å; F342-K344 HydrophobicContact CE2-CD 4.35Å; F342-K344 HydrophobicContact CE2-CG 3.69Å; F342-N374 HydrophobicContact CB-CB 4.2Å; F342-N374 HydrophobicContact CD2-CB 3.93Å; F342-N374 WeakPolarHBondContact CD2-O 3.3Å; F342-N374 VanDerWaalsContact CE2-O 3.3Å; F342-N374 WeakPolarHBondContact CE2-O 3.47Å; F342-N374 HydrophobicContact CG-CB 4.41Å; F342-M375 VanDerWaalsContact CE2-C 3.44Å; F342-M375 VanDerWaalsContact CE2-O 3.29Å; F342-M375 WeakPolarHBondContact CE2-O 3.36Å; F342-M375 WeakPolarHBondContact CZ-O 3.41Å; F342-D376 VanDerWaalsContact CD1-C 3.45Å; F342-D376 WeakPolarHBondContact CD2-O 3.4Å; F342-D376 VanDerWaalsContact CG-O 3.23Å; F342-D376 WeakPolarHBondContact CG-O 3.37Å; F342-W401 CarbonylContact O-C 3.52Å; F342-W401 WeakPolarHBondContact O-CA 3.47Å; F342-W401 VanDerWaalsContact O-CB 3.27Å; F342-W401 WeakPolarHBondContact O-CB 3.25Å; F342-E402 HydrophobicContact CD1-CB 3.68Å; F342-E402 HydrophobicContact CD1-CG 4.27Å; F342-E402 HydrophobicContact CD2-CB 4.22Å; F342-E402 HydrophobicContact CE1-CB 3.34Å; F342-E402 HydrophobicContact CE1-CG 3.57Å; F342-E402 HydrophobicContact CE2-CB 3.93Å; F342-E402 HydrophobicContact CG-CB 4.12Å; F342-E402 HydrophobicContact CZ-CB 3.48Å; F342-E402 VanDerWaalsContact CZ-CB 3.48Å; F342-E402 HydrophobicContact CZ-CG 3.84Å; F342-E402 PolarHBondContact O-N 2.96Å
343	V	98.3	Very high	95.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.2	174.7	175.6	0	0	0	0	110.4	A345 Y346 G373 N374 P398 I405 A406 L407	V343-A345 WeakPolarHBondContact CG1-O 3.4Å; V343-Y346 HydrophobicContact CG1-CD1 4.06Å; V343-G373 CarbonylContact O-C 3.55Å; V343-G373 WeakPolarHBondContact O-CA 3.15Å; V343-N374 PolarHBondContact O-N 3.16Å; V343-P398 HydrophobicContact CG1-CB 3.97Å; V343-P398 HydrophobicContact CG1-CG 4.42Å; V343-P398 HydrophobicContact CG2-CB 4Å; V343-P398 HydrophobicContact CG2-CG 3.97Å; V343-I405 HydrophobicContact CG2-CG2 4.07Å; V343-A406 PolarHBondContact N-O 3.38Å; V343-L407 HydrophobicContact CB-CD1 4.48Å; V343-L407 HydrophobicContact CG2-CB 4.28Å; V343-L407 HydrophobicContact CG2-CD1 4.4Å
344	K	97.6	Very high	95.3	Very high	79 Å²	79	48.9 Å²	48.9	34%	0.343	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-28.5	178.7	-66.6	-171.2	-176.7	-173	0	113.8	F342 G373 S400 E402	F342-K344 HydrophobicContact CD2-CG 4Å; F342-K344 HydrophobicContact CE2-CD 4.35Å; F342-K344 HydrophobicContact CE2-CG 3.69Å; K344-G373 WeakPolarHBondContact O-CA 3.42Å; K344-G373 PolarHBondContact O-N 3.18Å; K344-S400 PolarHBondContact N-O 2.87Å; K344-E402 WeakPolarHBondContact CE-OE2 3.35Å; K344-E402 IonicContact NZ-OE2 2.78Å; K344-E402 PolarHBondContact NZ-OE2 2.97Å
345	A	98.3	Very high	95.4	Very high	17 Å²	17	57.2 Å²	57.2	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	145.2	176.3	0	0	0	0	0	111.9	V343 I370 F371 T399 S400	V343-A345 WeakPolarHBondContact CG1-O 3.4Å; A345-I370 HydrophobicContact CB-CG2 3.92Å; A345-F371 VanDerWaalsContact CA-O 3.26Å; A345-F371 WeakPolarHBondContact CA-O 3.35Å; A345-T399 VanDerWaalsContact C-OG1 3.26Å; A345-T399 PolarHBondContact O-N 2.85Å; A345-T399 PolarHBondContact O-OG1 3.08Å; A345-S400 PolarHBondContact N-O 3.44Å; A345-S400 VanDerWaalsContact N-O 3.09Å; A345-S400 PolarHBondContact O-N 2.72Å
346	Y	98.6	Very high	95.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	162.8	-180	57.3	-91.8	0	0	0	112.8	I329 T331 V343 V348 F371 N383 I396 N397	I329-Y346 HydrophobicContact CD1-CE2 4.35Å; I329-Y346 HydrophobicContact CG2-CE2 4.26Å; I329-Y346 WeakPolarHBondContact CG2-OH 3.49Å; T331-Y346 HydrophobicContact CG2-CE1 3.82Å; V343-Y346 HydrophobicContact CG1-CD1 4.06Å; Y346-V348 HydrophobicContact CD2-CG2 3.97Å; Y346-V348 HydrophobicContact CE2-CG2 3.92Å; Y346-F371 HydrophobicContact CD2-CB 4Å; Y346-F371 HydrophobicContact CD2-CD2 4.21Å; Y346-F371 HydrophobicContact CD2-CG 4.44Å; Y346-F371 HydrophobicContact CE1-CB 4.26Å; Y346-F371 HydrophobicContact CE2-CB 3.61Å; Y346-F371 AromaticContact CE2-CD2 4Å; Y346-F371 HydrophobicContact CE2-CD2 4Å; Y346-F371 AromaticContact CE2-CG 3.93Å; Y346-F371 HydrophobicContact CE2-CG 3.93Å; Y346-F371 HydrophobicContact CG-CB 4.47Å; Y346-F371 PolarHBondContact N-O 2.91Å; Y346-F371 VanDerWaalsContact N-O 3.14Å; Y346-F371 PolarHBondContact O-N 2.76Å; Y346-N383 PolarHBondContact OH-ND2 2.84Å; Y346-I396 HydrophobicContact CD2-CG2 3.86Å; Y346-I396 HydrophobicContact CE2-CG2 4.49Å; Y346-I396 HydrophobicContact CG-CG2 4.02Å; Y346-N397 CarbonylContact C-O 3.47Å; Y346-N397 VanDerWaalsContact CA-O 3.3Å; Y346-N397 WeakPolarHBondContact CA-O 3.4Å; Y346-N397 WeakPolarHBondContact CB-O 3.11Å
347	R	98.1	Very high	96.4	Very high	74 Å²	74	57.3 Å²	57.3	28%	0.279	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	154.4	166.4	-67.2	176.2	-176.7	-160.3	0.2	109.3	D368 I370 N397 T399	R347-D368 IonicContact NH1-OD2 2.74Å; R347-D368 PolarHBondContact NH1-OD2 2.84Å; R347-I370 HydrophobicContact CG-CG1 4.27Å; R347-N397 PolarHBondContact N-O 2.88Å; R347-N397 PolarHBondContact O-N 3.2Å; R347-T399 HydrophobicContact CG-CG2 3.91Å
348	V	98.5	Very high	96.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.8	173.3	-179.1	0	0	0	0	108.6	Y346 Y360 F371 F385 I389 V394 R395 I396	Y346-V348 HydrophobicContact CD2-CG2 3.97Å; Y346-V348 HydrophobicContact CE2-CG2 3.92Å; V348-Y360 WeakPolarHBondContact O-CB 3.37Å; V348-Y360 PolarHBondContact O-N 2.87Å; V348-F371 HydrophobicContact CB-CE2 4.12Å; V348-F371 HydrophobicContact CG2-CD2 3.94Å; V348-F371 HydrophobicContact CG2-CE2 3.74Å; V348-F385 HydrophobicContact CB-CE1 4.35Å; V348-F385 HydrophobicContact CG1-CE1 4.35Å; V348-F385 HydrophobicContact CG1-CZ 4.39Å; V348-F385 HydrophobicContact CG2-CE1 3.91Å; V348-F385 HydrophobicContact CG2-CZ 4.14Å; V348-I389 HydrophobicContact CG1-CD1 3.91Å; V348-V394 HydrophobicContact CG1-CG1 3.9Å; V348-R395 WeakPolarHBondContact CA-O 3.31Å; V348-I396 HydrophobicContact CG1-CD1 4.27Å; V348-I396 HydrophobicContact CG2-CD1 3.87Å
349	L	98.3	Very high	97.1	Very high	22 Å²	22	52.2 Å²	52.2	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.5	168.8	-58.1	81.6	0	0	0	108.6	W357 H358 F359 R395 N397	L349-W357 HydrophobicContact CB-CE3 3.88Å; L349-W357 HydrophobicContact CB-CZ3 4.46Å; L349-W357 HydrophobicContact CD2-CB 4.48Å; L349-H358 CarbonylContact C-O 3.59Å; L349-H358 WeakPolarHBondContact CA-O 3.4Å; L349-F359 HydrophobicContact CD1-CD1 4.06Å; L349-F359 HydrophobicContact CD1-CE1 3.78Å; L349-F359 HydrophobicContact CD2-CD1 4.13Å; L349-F359 HydrophobicContact CD2-CE1 3.72Å; L349-F359 HydrophobicContact CD2-CE2 4.23Å; L349-F359 HydrophobicContact CD2-CZ 3.77Å; L349-F359 HydrophobicContact CG-CD1 3.69Å; L349-F359 HydrophobicContact CG-CE1 3.66Å; L349-F359 HydrophobicContact CG-CG 4.29Å; L349-F359 HydrophobicContact CG-CZ 4.24Å; L349-R395 HydrophobicContact CB-CB 4.13Å; L349-R395 PolarHBondContact N-O 3.44Å; L349-R395 PolarHBondContact O-N 2.74Å; L349-N397 HydrophobicContact CD1-CB 3.77Å
350	F	98.4	Very high	97.3	Very high	47 Å²	47	50 Å²	50	21%	0.206	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.9	179.5	65.3	-86	0	0	0	111.7	H358 I389 A391 F393	F350-H358 HydrophobicContact CD1-CB 4.49Å; F350-H358 WeakPolarHBondContact CD1-O 3.49Å; F350-H358 HydrophobicContact CE1-CB 3.97Å; F350-H358 HydrophobicContact CE2-CB 4.11Å; F350-H358 HydrophobicContact CZ-CB 3.77Å; F350-H358 PolarHBondContact N-O 2.8Å; F350-H358 PolarHBondContact O-N 2.73Å; F350-I389 HydrophobicContact CB-CG2 3.64Å; F350-I389 HydrophobicContact CD1-CD1 4.43Å; F350-I389 HydrophobicContact CD1-CG2 4.15Å; F350-I389 HydrophobicContact CD2-CG2 3.88Å; F350-I389 HydrophobicContact CG-CG2 3.62Å; F350-A391 HydrophobicContact CB-CB 3.85Å; F350-A391 HydrophobicContact CD2-CB 4.09Å; F350-A391 HydrophobicContact CG-CB 4.41Å; F350-F393 WeakPolarHBondContact CA-O 3.36Å
351	S	98.5	Very high	97.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	149.2	-177.8	-179.6	0	0	0	0	111.8	D353 G354 E356 R392 F393	S351-D353 PolarHBondContact OG-N 2.04Å; S351-D353 PolarHBondContact OG-OD1 3.3Å; S351-G354 WeakPolarHBondContact OG-CA 3.42Å; S351-G354 PolarHBondContact OG-N 3.31Å; S351-E356 WeakPolarHBondContact CB-O 3.4Å; S351-E356 PolarHBondContact OG-O 2.88Å; S351-R392 PolarHBondContact O-N 3.04Å; S351-R392 VanDerWaalsContact O-N 3.11Å; S351-F393 PolarHBondContact N-O 2.81Å; S351-F393 PolarHBondContact O-N 3.3Å
352	K	97.5	Very high	96.9	Very high	106 Å²	106	54.2 Å²	54.2	46%	0.461	25%	0.247	S	C	.	.	S	Bend	trans	-89.5	-32.4	172.4	-69.7	179.2	166.9	-109.1	0	112.3	E323 E390	E323-K352 VanDerWaalsContact CD-NZ 3.29Å; E323-K352 VanDerWaalsContact OE1-CD 3.23Å; E323-K352 WeakPolarHBondContact OE1-CD 3.3Å; E323-K352 VanDerWaalsContact OE1-CG 3.26Å; E323-K352 WeakPolarHBondContact OE1-CG 3.2Å; E323-K352 IonicContact OE1-NZ 2.87Å; E323-K352 PolarHBondContact OE1-NZ 3.17Å; E323-K352 IonicContact OE2-NZ 2.68Å; E323-K352 PolarHBondContact OE2-NZ 2.81Å; K352-E390 WeakPolarHBondContact CE-O 3.45Å
353	D	96.6	Very high	96	Very high	83 Å²	83	56.9 Å²	56.9	44%	0.444	26%	0.264	S	S	.	.	S	Bend	trans	-114.7	-12.3	-172.3	77.2	-22.3	0	0	0	114.6	S351 K355 E356 F393	S351-D353 PolarHBondContact OG-N 2.04Å; S351-D353 PolarHBondContact OG-OD1 3.3Å; D353-K355 VanDerWaalsContact C-N 3.32Å; D353-K355 PolarHBondContact OD1-N 3.02Å; D353-K355 WeakPolarHBondContact OD2-CB 3.47Å; D353-E356 PolarHBondContact OD1-N 3.17Å; D353-F393 VanDerWaalsContact C-CE2 3.4Å
354	G	95.3	Very high	94.9	Very high	22 Å²	22	62.6 Å²	62.6	23%	0.227	30%	0.295	C	S	.	.	S	Bend	trans	84.4	-1.1	-177	0	0	0	0	0	114.4	S351 W357 F393	S351-G354 WeakPolarHBondContact OG-CA 3.42Å; S351-G354 PolarHBondContact OG-N 3.31Å; G354-W357 PolarHBondContact O-NE1 2.99Å; G354-F393 VanDerWaalsContact N-CE2 3.35Å
355	K	95.3	Very high	94.2	Very high	176 Å²	176	61.1 Å²	61.1	77%	0.765	30%	0.295	S	S	*	.	S	Bend	trans	-108.2	-51.3	-177.9	-51	175.5	-177.6	173	0	111.5	D353 W357	D353-K355 VanDerWaalsContact C-N 3.32Å; D353-K355 PolarHBondContact OD1-N 3.02Å; D353-K355 WeakPolarHBondContact OD2-CB 3.47Å; K355-W357 VanDerWaalsContact O-CD1 3.28Å
356	E	97.6	Very high	93.5	Very high	125 Å²	125	65.6 Å²	65.6	58%	0.584	33%	0.325	S	S	*	.	S	Bend	trans	-88.3	127.1	174.7	-170.8	174	-175.5	0	0	109.5	S351 D353 H358	S351-E356 WeakPolarHBondContact CB-O 3.4Å; S351-E356 PolarHBondContact OG-O 2.88Å; D353-E356 PolarHBondContact OD1-N 3.17Å; E356-H358 IonicContact OE1-CE1 3.86Å; E356-H358 PolarHBondContact OE1-CE1 2.6Å; E356-H358 VanDerWaalsContact OE1-CE1 3.29Å
357	W	97.4	Very high	93.1	Very high	50 Å²	50	72.6 Å²	72.6	19%	0.189	36%	0.358	C	S	.	.			trans	-122.5	128.3	-174.2	-72.6	87.9	0	0	0	111	Q317 L349 G354 K355 F393 R395	Q317-W357 HydrophobicContact CG-CH2 4.14Å; L349-W357 HydrophobicContact CB-CE3 3.88Å; L349-W357 HydrophobicContact CB-CZ3 4.46Å; L349-W357 HydrophobicContact CD2-CB 4.48Å; G354-W357 PolarHBondContact O-NE1 2.99Å; K355-W357 VanDerWaalsContact O-CD1 3.28Å; W357-F393 HydrophobicContact CH2-CB 3.63Å; W357-F393 HydrophobicContact CZ2-CB 4.25Å; W357-F393 HydrophobicContact CZ3-CB 4.27Å; W357-R395 VanDerWaalsContact CE2-CZ 3.48Å; W357-R395 HydrophobicContact CE3-CB 4.35Å; W357-R395 HydrophobicContact CE3-CG 4.34Å; W357-R395 HydrophobicContact CH2-CB 4.23Å; W357-R395 HydrophobicContact CH2-CG 3.56Å; W357-R395 HydrophobicContact CZ2-CG 4.33Å; W357-R395 HydrophobicContact CZ3-CB 3.73Å; W357-R395 HydrophobicContact CZ3-CG 3.58Å
358	H	96.9	Very high	92.9	Very high	82 Å²	82	71 Å²	71	38%	0.38	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.9	176.5	-49.7	-68.2	0	0	0	110.2	L349 F350 E356	L349-H358 CarbonylContact C-O 3.59Å; L349-H358 WeakPolarHBondContact CA-O 3.4Å; F350-H358 HydrophobicContact CD1-CB 4.49Å; F350-H358 WeakPolarHBondContact CD1-O 3.49Å; F350-H358 HydrophobicContact CE1-CB 3.97Å; F350-H358 HydrophobicContact CE2-CB 4.11Å; F350-H358 HydrophobicContact CZ-CB 3.77Å; F350-H358 PolarHBondContact N-O 2.8Å; F350-H358 PolarHBondContact O-N 2.73Å; E356-H358 IonicContact OE1-CE1 3.86Å; E356-H358 PolarHBondContact OE1-CE1 2.6Å; E356-H358 VanDerWaalsContact OE1-CE1 3.29Å
359	F	97.1	Very high	92.8	Very high	72 Å²	72	74.2 Å²	74.2	32%	0.316	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	140.1	167.6	-72.8	-85	0	0	0	110.2	L349 D368	L349-F359 HydrophobicContact CD1-CD1 4.06Å; L349-F359 HydrophobicContact CD1-CE1 3.78Å; L349-F359 HydrophobicContact CD2-CD1 4.13Å; L349-F359 HydrophobicContact CD2-CE1 3.72Å; L349-F359 HydrophobicContact CD2-CE2 4.23Å; L349-F359 HydrophobicContact CD2-CZ 3.77Å; L349-F359 HydrophobicContact CG-CD1 3.69Å; L349-F359 HydrophobicContact CG-CE1 3.66Å; L349-F359 HydrophobicContact CG-CG 4.29Å; L349-F359 HydrophobicContact CG-CZ 4.24Å; F359-D368 HydrophobicContact CB-CB 4Å; F359-D368 WeakPolarHBondContact CB-OD1 3.18Å; F359-D368 HydrophobicContact CD1-CB 4.32Å; F359-D368 HydrophobicContact CG-CB 4.26Å
360	Y	97.6	Very high	92.7	Very high	13 Å²	13	77.3 Å²	77.3	5%	0.051	38%	0.384	C	S	.	.			trans	-66.8	134.4	170.9	-177.7	-90.7	0	0	0	111.2	V348 K369 F371 F385 I386 P387 I389	V348-Y360 WeakPolarHBondContact O-CB 3.37Å; V348-Y360 PolarHBondContact O-N 2.87Å; Y360-K369 HydrophobicContact CD1-CB 3.75Å; Y360-K369 HydrophobicContact CD1-CG 4.2Å; Y360-K369 HydrophobicContact CE1-CB 4.17Å; Y360-K369 HydrophobicContact CE1-CG 4.26Å; Y360-K369 PolarHBondContact O-N 2.88Å; Y360-F371 AromaticContact CD1-CE2 3.73Å; Y360-F371 HydrophobicContact CD1-CE2 3.73Å; Y360-F371 AromaticContact CD1-CZ 3.39Å; Y360-F371 HydrophobicContact CD1-CZ 3.39Å; Y360-F371 HydrophobicContact CE1-CE1 4.41Å; Y360-F371 HydrophobicContact CE1-CE2 4.36Å; Y360-F371 AromaticContact CE1-CZ 3.59Å; Y360-F371 HydrophobicContact CE1-CZ 3.59Å; Y360-F371 HydrophobicContact CG-CE2 4.36Å; Y360-F371 HydrophobicContact CG-CZ 4.2Å; Y360-F385 HydrophobicContact CD2-CD1 4.25Å; Y360-F385 HydrophobicContact CE1-CD1 4.49Å; Y360-F385 HydrophobicContact CE2-CB 4.01Å; Y360-F385 HydrophobicContact CE2-CD1 4.08Å; Y360-F385 HydrophobicContact CE2-CG 4.43Å; Y360-F385 HydrophobicContact CG-CD1 4.49Å; Y360-I386 PolarHBondContact OH-N 2.93Å; Y360-I386 PolarHBondContact OH-O 3.34Å; Y360-P387 WeakPolarHBondContact CE2-O 3.35Å; Y360-P387 PolarHBondContact OH-O 2.82Å; Y360-I389 HydrophobicContact CD2-CD1 3.63Å; Y360-I389 HydrophobicContact CD2-CG1 3.56Å; Y360-I389 HydrophobicContact CE2-CD1 4.25Å; Y360-I389 HydrophobicContact CE2-CG1 3.86Å; Y360-I389 HydrophobicContact CG-CD1 4.34Å
361	R	94.4	Very high	92.7	Very high	122 Å²	122	75.5 Å²	75.5	46%	0.46	38%	0.376	S	S	.	.			trans	-134.4	147	179.3	-63	-173.1	-176.8	135.6	5.8	109.7	D368	R361-D368 IonicContact CZ-OD1 2.88Å; R361-D368 VanDerWaalsContact CZ-OD1 3.27Å; R361-D368 IonicContact NE-OD1 3.68Å; R361-D368 PolarHBondContact NE-OD1 3.28Å; R361-D368 IonicContact NH2-OD1 2.6Å; R361-D368 PolarHBondContact NH2-OD1 3.03Å
362	E	86.9	Confident	92.6	Very high	35 Å²	35	77.7 Å²	77.7	16%	0.164	39%	0.387	C	S	.	.			trans	-82.1	151	174.4	-168	162.8	-147.5	0	0	110.2	A214 N364 S365 K369	A214-E362 VanDerWaalsContact CB-CD 3.43Å; A214-E362 HydrophobicContact CB-CG 4.02Å; A214-E362 WeakPolarHBondContact CB-OE1 3.26Å; E362-N364 PolarHBondContact O-N 3.45Å; E362-S365 WeakPolarHBondContact O-CB 3.12Å; E362-S365 PolarHBondContact O-N 2.84Å; E362-K369 HydrophobicContact CB-CD 4.44Å; E362-K369 IonicContact OE1-NZ 3.38Å; E362-K369 PolarHBondContact OE1-NZ 3.36Å; E362-K369 IonicContact OE2-NZ 3.21Å; E362-K369 PolarHBondContact OE2-NZ 2.69Å
363	T	79.9	Confident	92.6	Very high	69 Å²	69	72.6 Å²	72.6	42%	0.423	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.3	179.5	-47.4	0	0	0	0	110.8	S365	T363-S365 PolarHBondContact O-N 3.23Å
364	N	73.4	Confident	92.6	Very high	120 Å²	120	68.7 Å²	68.7	64%	0.642	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	5.3	-175.8	-46	-50.5	0	0	0	116.1	E362	E362-N364 PolarHBondContact O-N 3.45Å
365	S	83.6	Confident	92.5	Very high	49 Å²	49	73.4 Å²	73.4	34%	0.343	36%	0.361	S	S	.	.			trans	-97.5	134	171.8	-176.4	0	0	0	0	112.4	E362 T363 Q367	E362-S365 WeakPolarHBondContact O-CB 3.12Å; E362-S365 PolarHBondContact O-N 2.84Å; T363-S365 PolarHBondContact O-N 3.23Å; S365-Q367 PolarHBondContact OG-N 2.91Å; S365-Q367 PolarHBondContact OG-O 3.44Å
366	S	83.9	Confident	92.5	Very high	110 Å²	110	67.6 Å²	67.6	77%	0.769	34%	0.339	S	S	*	.			trans	-85.8	-8	167.2	59.8	0	0	0	0	113.4
367	Q	90.4	Very high	92.2	Very high	148 Å²	148	63.9 Å²	63.9	69%	0.692	32%	0.32	S	S	*	.	S	Bend	trans	-99	144.3	-177.3	-61.1	-173.6	3.9	0	0	111.8	S365 K369	S365-Q367 PolarHBondContact OG-N 2.91Å; S365-Q367 PolarHBondContact OG-O 3.44Å; Q367-K369 PolarHBondContact O-N 2.86Å
368	D	94	Very high	91.8	Very high	41 Å²	41	67 Å²	67	22%	0.219	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-63	128.4	173.9	-50.8	-30.2	0	0	0	110.3	R347 F359 R361 I370	R347-D368 IonicContact NH1-OD2 2.74Å; R347-D368 PolarHBondContact NH1-OD2 2.84Å; F359-D368 HydrophobicContact CB-CB 4Å; F359-D368 WeakPolarHBondContact CB-OD1 3.18Å; F359-D368 HydrophobicContact CD1-CB 4.32Å; F359-D368 HydrophobicContact CG-CB 4.26Å; R361-D368 IonicContact CZ-OD1 2.88Å; R361-D368 VanDerWaalsContact CZ-OD1 3.27Å; R361-D368 IonicContact NE-OD1 3.68Å; R361-D368 PolarHBondContact NE-OD1 3.28Å; R361-D368 IonicContact NH2-OD1 2.6Å; R361-D368 PolarHBondContact NH2-OD1 3.03Å; D368-I370 PolarHBondContact O-N 3.46Å
369	K	95.2	Very high	91.4	Very high	66 Å²	66	66.6 Å²	66.6	29%	0.287	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-69	128.4	-178.8	-173.6	69.4	170.3	-170.6	0	109.8	Y360 E362 Q367 F371	Y360-K369 HydrophobicContact CD1-CB 3.75Å; Y360-K369 HydrophobicContact CD1-CG 4.2Å; Y360-K369 HydrophobicContact CE1-CB 4.17Å; Y360-K369 HydrophobicContact CE1-CG 4.26Å; Y360-K369 PolarHBondContact O-N 2.88Å; E362-K369 HydrophobicContact CB-CD 4.44Å; E362-K369 IonicContact OE1-NZ 3.38Å; E362-K369 PolarHBondContact OE1-NZ 3.36Å; E362-K369 IonicContact OE2-NZ 3.21Å; E362-K369 PolarHBondContact OE2-NZ 2.69Å; Q367-K369 PolarHBondContact O-N 2.86Å; K369-F371 HydrophobicContact CB-CE2 4.22Å; K369-F371 HydrophobicContact CB-CZ 4.44Å; K369-F371 HydrophobicContact CG-CD1 4.44Å; K369-F371 HydrophobicContact CG-CD2 4.3Å; K369-F371 HydrophobicContact CG-CE1 4.14Å; K369-F371 HydrophobicContact CG-CE2 3.96Å; K369-F371 HydrophobicContact CG-CZ 3.89Å
370	I	96.8	Very high	91.3	Very high	88 Å²	88	68.5 Å²	68.5	45%	0.451	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-96.2	127.2	164.2	-57.8	176.3	0	0	0	106.7	A345 R347 D368	A345-I370 HydrophobicContact CB-CG2 3.92Å; R347-I370 HydrophobicContact CG-CG1 4.27Å; D368-I370 PolarHBondContact O-N 3.46Å
371	F	97.6	Very high	91.3	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.035	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.8	174.9	-66.4	-86.7	0	0	0	109.7	A345 Y346 V348 Y360 K369 G373 N383 F385	A345-F371 VanDerWaalsContact CA-O 3.26Å; A345-F371 WeakPolarHBondContact CA-O 3.35Å; Y346-F371 HydrophobicContact CD2-CB 4Å; Y346-F371 HydrophobicContact CD2-CD2 4.21Å; Y346-F371 HydrophobicContact CD2-CG 4.44Å; Y346-F371 HydrophobicContact CE1-CB 4.26Å; Y346-F371 HydrophobicContact CE2-CB 3.61Å; Y346-F371 AromaticContact CE2-CD2 4Å; Y346-F371 HydrophobicContact CE2-CD2 4Å; Y346-F371 AromaticContact CE2-CG 3.93Å; Y346-F371 HydrophobicContact CE2-CG 3.93Å; Y346-F371 HydrophobicContact CG-CB 4.47Å; Y346-F371 PolarHBondContact N-O 2.91Å; Y346-F371 VanDerWaalsContact N-O 3.14Å; Y346-F371 PolarHBondContact O-N 2.76Å; V348-F371 HydrophobicContact CB-CE2 4.12Å; V348-F371 HydrophobicContact CG2-CD2 3.94Å; V348-F371 HydrophobicContact CG2-CE2 3.74Å; Y360-F371 AromaticContact CD1-CE2 3.73Å; Y360-F371 HydrophobicContact CD1-CE2 3.73Å; Y360-F371 AromaticContact CD1-CZ 3.39Å; Y360-F371 HydrophobicContact CD1-CZ 3.39Å; Y360-F371 HydrophobicContact CE1-CE1 4.41Å; Y360-F371 HydrophobicContact CE1-CE2 4.36Å; Y360-F371 AromaticContact CE1-CZ 3.59Å; Y360-F371 HydrophobicContact CE1-CZ 3.59Å; Y360-F371 HydrophobicContact CG-CE2 4.36Å; Y360-F371 HydrophobicContact CG-CZ 4.2Å; K369-F371 HydrophobicContact CB-CE2 4.22Å; K369-F371 HydrophobicContact CB-CZ 4.44Å; K369-F371 HydrophobicContact CG-CD1 4.44Å; K369-F371 HydrophobicContact CG-CD2 4.3Å; K369-F371 HydrophobicContact CG-CE1 4.14Å; K369-F371 HydrophobicContact CG-CE2 3.96Å; K369-F371 HydrophobicContact CG-CZ 3.89Å; F371-G373 PolarHBondContact O-N 3.02Å; F371-N383 HydrophobicContact CD1-CB 3.65Å; F371-N383 HydrophobicContact CE1-CB 4.16Å; F371-N383 HydrophobicContact CG-CB 4.48Å; F371-F385 HydrophobicContact CE1-CD1 4.2Å; F371-F385 HydrophobicContact CE1-CE1 4.09Å; F371-F385 HydrophobicContact CE2-CE1 4.08Å; F371-F385 AromaticContact CZ-CD1 3.71Å; F371-F385 HydrophobicContact CZ-CD1 3.71Å; F371-F385 AromaticContact CZ-CE1 3.57Å; F371-F385 HydrophobicContact CZ-CE1 3.57Å
372	Q	97.2	Very high	91.5	Very high	46 Å²	46	64.3 Å²	64.3	22%	0.215	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.6	165.2	-171.2	-171.5	2.1	0	0	108.2	N237 M375 N383	N237-Q372 PolarHBondContact OD1-OE1 3.42Å; Q372-M375 PolarHBondContact NE2-SD 2.88Å; Q372-M375 VanDerWaalsContact NE2-SD 3.42Å; Q372-N383 PolarHBondContact O-ND2 2.92Å
373	G	96.6	Very high	92	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.			trans	-91.5	-142.8	170.5	0	0	0	0	0	110.9	V343 K344 F371 V381	V343-G373 CarbonylContact O-C 3.55Å; V343-G373 WeakPolarHBondContact O-CA 3.15Å; K344-G373 WeakPolarHBondContact O-CA 3.42Å; K344-G373 PolarHBondContact O-N 3.18Å; F371-G373 PolarHBondContact O-N 3.02Å; G373-V381 WeakPolarHBondContact O-CG2 3.35Å
374	N	96.9	Very high	92.8	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.308	C	S	.	.			trans	-82.3	149.3	-171.5	-62.1	86.3	0	0	0	112.5	T331 T332 F342 V343 D376 D379 V381	T331-N374 WeakPolarHBondContact CB-OD1 3.22Å; T331-N374 PolarHBondContact O-ND2 3.26Å; T331-N374 PolarHBondContact O-OD1 2.83Å; T331-N374 PolarHBondContact OG1-OD1 2.87Å; T332-N374 WeakPolarHBondContact CA-ND2 3.43Å; F342-N374 HydrophobicContact CB-CB 4.2Å; F342-N374 HydrophobicContact CD2-CB 3.93Å; F342-N374 WeakPolarHBondContact CD2-O 3.3Å; F342-N374 VanDerWaalsContact CE2-O 3.3Å; F342-N374 WeakPolarHBondContact CE2-O 3.47Å; F342-N374 HydrophobicContact CG-CB 4.41Å; V343-N374 PolarHBondContact O-N 3.16Å; N374-D376 WeakPolarHBondContact CB-O 3.11Å; N374-D379 PolarHBondContact ND2-O 3.34Å; N374-V381 HydrophobicContact CB-CG2 4.47Å
375	M	94.6	Very high	93.9	Very high	121 Å²	121	55.1 Å²	55.1	60%	0.596	28%	0.278	S	S	*	.	S	Bend	trans	-93.9	-29.7	175.9	-67.8	-60.5	-61.6	0	0	112.3	L234 F342 Q372	L234-M375 HydrophobicContact CD2-CG 3.53Å; F342-M375 VanDerWaalsContact CE2-C 3.44Å; F342-M375 VanDerWaalsContact CE2-O 3.29Å; F342-M375 WeakPolarHBondContact CE2-O 3.36Å; F342-M375 WeakPolarHBondContact CZ-O 3.41Å; Q372-M375 PolarHBondContact NE2-SD 2.88Å; Q372-M375 VanDerWaalsContact NE2-SD 3.42Å
376	D	93.6	Very high	94.4	Very high	54 Å²	54	54.8 Å²	54.8	29%	0.289	27%	0.272	S	S	.	.	S	Bend	trans	-134.4	-170.9	168.4	68.5	71.5	0	0	0	111.2	F342 N374 Q378 D379	F342-D376 VanDerWaalsContact CD1-C 3.45Å; F342-D376 WeakPolarHBondContact CD2-O 3.4Å; F342-D376 VanDerWaalsContact CG-O 3.23Å; F342-D376 WeakPolarHBondContact CG-O 3.37Å; N374-D376 WeakPolarHBondContact CB-O 3.11Å; D376-Q378 PolarHBondContact OD1-N 3.23Å; D376-D379 PolarHBondContact OD1-N 3.32Å; D376-D379 WeakPolarHBondContact OD2-CB 3.35Å; D376-D379 VanDerWaalsContact OD2-CG 3.29Å
377	Y	91.4	Very high	94.9	Very high	47 Å²	47	52.6 Å²	52.6	18%	0.184	26%	0.256	C	S	.	.	S	Bend	trans	-82.9	-29.2	-174.1	65.9	-71.1	0	0	0	114.6	T332 G333 S334 P340	T332-Y377 PolarHBondContact OG1-O 2.85Å; G333-Y377 CarbonylContact C-O 3.19Å; G333-Y377 WeakPolarHBondContact CA-O 3.38Å; G333-Y377 PolarHBondContact N-O 2.89Å; S334-Y377 PolarHBondContact N-O 2.87Å; S334-Y377 CarbonylContact O-C 3.49Å; S334-Y377 WeakPolarHBondContact O-CD2 3.44Å; P340-Y377 HydrophobicContact CB-CD1 3.9Å; P340-Y377 HydrophobicContact CB-CD2 4.36Å; P340-Y377 HydrophobicContact CB-CE1 4.34Å; P340-Y377 HydrophobicContact CB-CG 3.95Å
378	Q	89.4	Confident	95.1	Very high	114 Å²	114	47.8 Å²	47.8	53%	0.533	24%	0.237	S	C	.	.	S	Bend	trans	-98	-29.3	-174.8	-60	-172.4	-21.7	0	0	113.1	T332 D376	T332-Q378 PolarHBondContact OG1-O 3.21Å; T332-Q378 VanDerWaalsContact OG1-O 3.09Å; D376-Q378 PolarHBondContact OD1-N 3.23Å
379	D	89.4	Confident	95.3	Very high	74 Å²	74	46 Å²	46	40%	0.396	23%	0.228	S	C	.	.			trans	-57.8	149.8	-176.7	-110.9	11.6	0	0	0	112.5	T332 N374 D376	T332-D379 VanDerWaalsContact CB-O 3.26Å; T332-D379 WeakPolarHBondContact CB-O 3.37Å; T332-D379 PolarHBondContact OG1-O 2.88Å; N374-D379 PolarHBondContact ND2-O 3.34Å; D376-D379 PolarHBondContact OD1-N 3.32Å; D376-D379 WeakPolarHBondContact OD2-CB 3.35Å; D376-D379 VanDerWaalsContact OD2-CG 3.29Å
380	K	94.9	Very high	95.4	Very high	113 Å²	113	47.5 Å²	47.5	49%	0.491	24%	0.236	S	C	.	.			trans	-109.9	113.8	177.6	-67.8	166.4	-168.1	145.9	0	108.9	V330 T331	V330-K380 HydrophobicContact CG1-CB 4.04Å; T331-K380 WeakPolarHBondContact O-CA 3.39Å
381	V	97.5	Very high	95.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.5	-179.9	174.5	0	0	0	0	110.3	L234 V330 T331 G373 N374	L234-V381 HydrophobicContact CB-CG2 4.06Å; L234-V381 HydrophobicContact CD2-CG1 4.34Å; L234-V381 HydrophobicContact CD2-CG2 3.64Å; L234-V381 HydrophobicContact CG-CG1 4.02Å; L234-V381 HydrophobicContact CG-CG2 3.85Å; L234-V381 WeakPolarHBondContact O-CA 3.15Å; V330-V381 CarbonylContact C-O 3.35Å; V330-V381 VanDerWaalsContact CA-O 3.3Å; V330-V381 WeakPolarHBondContact CA-O 3.34Å; T331-V381 PolarHBondContact N-O 2.8Å; T331-V381 PolarHBondContact O-N 2.88Å; G373-V381 WeakPolarHBondContact O-CG2 3.35Å; N374-V381 HydrophobicContact CB-CG2 4.47Å
382	R	97.6	Very high	95.4	Very high	46 Å²	46	46.6 Å²	46.6	17%	0.174	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.4	177.4	-172.6	178.6	179.7	93.3	-3.8	111.2	L234 A235 N236 A328 I329 V330 N384	L234-R382 PolarHBondContact O-N 2.91Å; L234-R382 VanDerWaalsContact O-N 3.12Å; A235-R382 CarbonylContact C-O 3.56Å; A235-R382 WeakPolarHBondContact CA-O 3.29Å; A235-R382 HydrophobicContact CB-CB 3.91Å; N236-R382 PolarHBondContact N-O 2.96Å; A328-R382 VanDerWaalsContact CB-NH2 3.27Å; I329-R382 WeakPolarHBondContact O-CA 3.07Å; V330-R382 HydrophobicContact CG2-CB 3.95Å; V330-R382 HydrophobicContact CG2-CG 3.91Å; R382-N384 PolarHBondContact NE-OD1 2.77Å; R382-N384 VanDerWaalsContact NE-OD1 3.13Å
383	N	98.1	Very high	95.5	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.043	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.5	165.5	-72.5	-90.1	0	0	0	109.7	A328 I329 Y346 F371 Q372	A328-N383 CarbonylContact C-O 3.56Å; A328-N383 VanDerWaalsContact CA-O 3.22Å; A328-N383 WeakPolarHBondContact CA-O 3.29Å; A328-N383 WeakPolarHBondContact CB-O 3.49Å; I329-N383 HydrophobicContact CG2-CB 4.02Å; I329-N383 PolarHBondContact N-O 2.88Å; I329-N383 PolarHBondContact O-N 3.12Å; Y346-N383 PolarHBondContact OH-ND2 2.84Å; F371-N383 HydrophobicContact CD1-CB 3.65Å; F371-N383 HydrophobicContact CE1-CB 4.16Å; F371-N383 HydrophobicContact CG-CB 4.48Å; Q372-N383 PolarHBondContact O-ND2 2.92Å
384	N	96.8	Very high	95.6	Very high	20 Å²	20	45.2 Å²	45.2	11%	0.107	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	149.3	176.9	-66.7	40.5	0	0	0	110.1	A208 G209 N236 T327 A328 R382 I386	A208-N384 PolarHBondContact O-ND2 2.87Å; G209-N384 VanDerWaalsContact CA-ND2 3.34Å; G209-N384 WeakPolarHBondContact CA-ND2 3.3Å; G209-N384 PolarHBondContact O-ND2 3.01Å; N236-N384 PolarHBondContact ND2-OD1 3.07Å; N236-N384 VanDerWaalsContact ND2-OD1 3.15Å; N236-N384 PolarHBondContact OD1-N 3.37Å; T327-N384 CarbonylContact O-C 3.44Å; T327-N384 WeakPolarHBondContact O-CA 3.5Å; A328-N384 HydrophobicContact CB-CB 4.41Å; R382-N384 PolarHBondContact NE-OD1 2.77Å; R382-N384 VanDerWaalsContact NE-OD1 3.13Å; N384-I386 HydrophobicContact CB-CG1 4.38Å
385	F	96.7	Very high	95.6	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.2	173.1	-55.7	-59.4	0	0	0	108.5	I326 T327 I329 V348 Y360 F371 P387 P388 I389 L411	I326-F385 HydrophobicContact CG2-CD2 3.93Å; I326-F385 HydrophobicContact CG2-CE2 3.78Å; T327-F385 PolarHBondContact O-N 3.16Å; I329-F385 HydrophobicContact CB-CE2 4.25Å; I329-F385 HydrophobicContact CB-CZ 3.99Å; I329-F385 HydrophobicContact CG2-CE1 4.42Å; I329-F385 HydrophobicContact CG2-CE2 4.35Å; I329-F385 HydrophobicContact CG2-CZ 3.73Å; V348-F385 HydrophobicContact CB-CE1 4.35Å; V348-F385 HydrophobicContact CG1-CE1 4.35Å; V348-F385 HydrophobicContact CG1-CZ 4.39Å; V348-F385 HydrophobicContact CG2-CE1 3.91Å; V348-F385 HydrophobicContact CG2-CZ 4.14Å; Y360-F385 HydrophobicContact CD2-CD1 4.25Å; Y360-F385 HydrophobicContact CE1-CD1 4.49Å; Y360-F385 HydrophobicContact CE2-CB 4.01Å; Y360-F385 HydrophobicContact CE2-CD1 4.08Å; Y360-F385 HydrophobicContact CE2-CG 4.43Å; Y360-F385 HydrophobicContact CG-CD1 4.49Å; F371-F385 HydrophobicContact CE1-CD1 4.2Å; F371-F385 HydrophobicContact CE1-CE1 4.09Å; F371-F385 HydrophobicContact CE2-CE1 4.08Å; F371-F385 AromaticContact CZ-CD1 3.71Å; F371-F385 HydrophobicContact CZ-CD1 3.71Å; F371-F385 AromaticContact CZ-CE1 3.57Å; F371-F385 HydrophobicContact CZ-CE1 3.57Å; F385-P387 CarbonylContact C-O 3.51Å; F385-P387 CarbonylContact O-C 3.57Å; F385-P388 WeakPolarHBondContact O-CA 3.23Å; F385-P388 VanDerWaalsContact O-N 3.11Å; F385-I389 HydrophobicContact CB-CD1 4.39Å; F385-I389 HydrophobicContact CB-CG1 4.14Å; F385-I389 HydrophobicContact CD1-CD1 3.72Å; F385-I389 HydrophobicContact CD1-CG1 4.36Å; F385-I389 HydrophobicContact CD2-CD1 3.97Å; F385-I389 HydrophobicContact CD2-CG1 4.4Å; F385-I389 HydrophobicContact CE1-CD1 3.96Å; F385-I389 HydrophobicContact CE2-CD1 4.19Å; F385-I389 HydrophobicContact CG-CD1 3.75Å; F385-I389 HydrophobicContact CG-CG1 4.04Å; F385-I389 HydrophobicContact CZ-CD1 4.19Å; F385-L411 HydrophobicContact CE2-CD2 4.39Å
386	I	94	Very high	95.8	Very high	43 Å²	43	42 Å²	42	22%	0.221	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	98.6	178	-53	178.5	0	0	0	107.2	V211 Y360 N384	V211-I386 WeakPolarHBondContact O-CD1 3.46Å; Y360-I386 PolarHBondContact OH-N 2.93Å; Y360-I386 PolarHBondContact OH-O 3.34Å; N384-I386 HydrophobicContact CB-CG1 4.38Å
387	P	94.2	Very high	96	Very high	64 Å²	64	40.4 Å²	40.4	42%	0.416	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-73.7	158.4	4.5	33	-36.6	0	0	0	113.8	Y360 F385	Y360-P387 WeakPolarHBondContact CE2-O 3.35Å; Y360-P387 PolarHBondContact OH-O 2.82Å; F385-P387 CarbonylContact C-O 3.51Å; F385-P387 CarbonylContact O-C 3.57Å
388	P	95.8	Very high	96.4	Very high	46 Å²	46	38.2 Å²	38.2	30%	0.299	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	148.6	173.2	-27.5	37.2	0	0	0	113.2	R325 I326 T327 F385	R325-P388 HydrophobicContact CG-CB 3.93Å; I326-P388 WeakPolarHBondContact O-CA 3.44Å; T327-P388 HydrophobicContact CG2-CB 4.1Å; T327-P388 HydrophobicContact CG2-CG 4.17Å; F385-P388 WeakPolarHBondContact O-CA 3.23Å; F385-P388 VanDerWaalsContact O-N 3.11Å
389	I	97.1	Very high	96.8	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.4	178.1	-64.2	171.1	0	0	0	109.6	R325 I326 V348 F350 Y360 F385 A391	R325-I389 CarbonylContact C-O 3.48Å; R325-I389 WeakPolarHBondContact CA-O 3.08Å; I326-I389 HydrophobicContact CB-CB 4.31Å; I326-I389 HydrophobicContact CD1-CB 4.37Å; I326-I389 HydrophobicContact CD1-CG2 4.05Å; I326-I389 PolarHBondContact N-O 2.86Å; I326-I389 PolarHBondContact O-N 3.17Å; V348-I389 HydrophobicContact CG1-CD1 3.91Å; F350-I389 HydrophobicContact CB-CG2 3.64Å; F350-I389 HydrophobicContact CD1-CD1 4.43Å; F350-I389 HydrophobicContact CD1-CG2 4.15Å; F350-I389 HydrophobicContact CD2-CG2 3.88Å; F350-I389 HydrophobicContact CG-CG2 3.62Å; Y360-I389 HydrophobicContact CD2-CD1 3.63Å; Y360-I389 HydrophobicContact CD2-CG1 3.56Å; Y360-I389 HydrophobicContact CE2-CD1 4.25Å; Y360-I389 HydrophobicContact CE2-CG1 3.86Å; Y360-I389 HydrophobicContact CG-CD1 4.34Å; F385-I389 HydrophobicContact CB-CD1 4.39Å; F385-I389 HydrophobicContact CB-CG1 4.14Å; F385-I389 HydrophobicContact CD1-CD1 3.72Å; F385-I389 HydrophobicContact CD1-CG1 4.36Å; F385-I389 HydrophobicContact CD2-CD1 3.97Å; F385-I389 HydrophobicContact CD2-CG1 4.4Å; F385-I389 HydrophobicContact CE1-CD1 3.96Å; F385-I389 HydrophobicContact CE2-CD1 4.19Å; F385-I389 HydrophobicContact CG-CD1 3.75Å; F385-I389 HydrophobicContact CG-CG1 4.04Å; F385-I389 HydrophobicContact CZ-CD1 4.19Å; I389-A391 HydrophobicContact CG2-CB 3.67Å
390	E	96.7	Very high	97.2	Very high	97 Å²	97	32.5 Å²	32.5	45%	0.453	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	97.1	170.9	-65	-167.7	163.4	0	0	110.5	K324 K352	K324-E390 WeakPolarHBondContact O-CA 3.44Å; K352-E390 WeakPolarHBondContact CE-O 3.45Å
391	A	97.6	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	159.6	-171.3	0	0	0	0	0	112.8	K324 I326 F350 I389	K324-A391 PolarHBondContact N-O 3.28Å; K324-A391 PolarHBondContact O-N 3.05Å; K324-A391 VanDerWaalsContact O-N 3.08Å; I326-A391 HydrophobicContact CD1-CB 4.19Å; F350-A391 HydrophobicContact CB-CB 3.85Å; F350-A391 HydrophobicContact CD2-CB 4.09Å; F350-A391 HydrophobicContact CG-CB 4.41Å; I389-A391 HydrophobicContact CG2-CB 3.67Å
392	R	97.6	Very high	97.3	Very high	76 Å²	76	32.7 Å²	32.7	29%	0.287	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-35.1	167.6	173.6	178.8	163	-175	-5.7	111.5	D319 F320 R321 E323 S351	D319-R392 WeakPolarHBondContact OD1-CG 3.3Å; D319-R392 IonicContact OD1-CZ 3.44Å; D319-R392 IonicContact OD1-NE 3.46Å; D319-R392 PolarHBondContact OD1-NE 2.89Å; D319-R392 IonicContact OD1-NH2 2.67Å; D319-R392 PolarHBondContact OD1-NH2 3.04Å; D319-R392 IonicContact OD2-CZ 2.86Å; D319-R392 IonicContact OD2-NE 2.68Å; D319-R392 IonicContact OD2-NH2 3.69Å; D319-R392 PolarHBondContact OD2-NH2 3.45Å; F320-R392 WeakPolarHBondContact CB-O 3.47Å; F320-R392 WeakPolarHBondContact CD2-O 3.31Å; F320-R392 PolarHBondContact N-O 2.92Å; R321-R392 PolarHBondContact O-NE 3.04Å; E323-R392 HydrophobicContact CG-CB 4.39Å; S351-R392 PolarHBondContact O-N 3.04Å; S351-R392 VanDerWaalsContact O-N 3.11Å
393	F	98.6	Very high	97.2	Very high	17 Å²	17	36.4 Å²	36.4	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.4	-177.7	-56.8	-93	0	0	0	110.8	V318 D319 F350 S351 D353 G354 W357	V318-F393 WeakPolarHBondContact O-CA 3.43Å; D319-F393 HydrophobicContact CB-CD1 3.69Å; D319-F393 HydrophobicContact CB-CE1 3.58Å; F350-F393 WeakPolarHBondContact CA-O 3.36Å; S351-F393 PolarHBondContact N-O 2.81Å; S351-F393 PolarHBondContact O-N 3.3Å; D353-F393 VanDerWaalsContact C-CE2 3.4Å; G354-F393 VanDerWaalsContact N-CE2 3.35Å; W357-F393 HydrophobicContact CH2-CB 3.63Å; W357-F393 HydrophobicContact CZ2-CB 4.25Å; W357-F393 HydrophobicContact CZ3-CB 4.27Å
394	V	98.6	Very high	97.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.2	173	176.7	0	0	0	0	108.6	Q317 V318 F320 I326 V348 I396 L411	Q317-V394 CarbonylContact C-O 3.51Å; Q317-V394 VanDerWaalsContact CA-O 3.26Å; Q317-V394 WeakPolarHBondContact CA-O 3.2Å; V318-V394 PolarHBondContact N-O 2.81Å; V318-V394 PolarHBondContact O-N 2.84Å; V318-V394 VanDerWaalsContact O-N 3.08Å; F320-V394 HydrophobicContact CE2-CG2 3.93Å; I326-V394 HydrophobicContact CD1-CG2 3.73Å; I326-V394 HydrophobicContact CG1-CG2 4.43Å; V348-V394 HydrophobicContact CG1-CG1 3.9Å; V394-I396 HydrophobicContact CG1-CD1 3.87Å; V394-L411 HydrophobicContact CB-CD1 4.32Å; V394-L411 HydrophobicContact CG1-CD1 4.25Å
395	R	98.3	Very high	97.2	Very high	52 Å²	52	37.3 Å²	37.3	20%	0.196	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	172	-90.7	177.3	-171.1	165.8	7.2	110	W315 L316 Q317 V348 L349 W357	W315-R395 HydrophobicContact CD2-CG 4.44Å; W315-R395 HydrophobicContact CE3-CG 4.15Å; L316-R395 CarbonylContact O-C 3.55Å; L316-R395 VanDerWaalsContact O-CA 3.28Å; L316-R395 WeakPolarHBondContact O-CA 3.48Å; Q317-R395 HydrophobicContact CB-CG 3.75Å; Q317-R395 HydrophobicContact CG-CG 3.95Å; Q317-R395 VanDerWaalsContact OE1-CZ 3.25Å; V348-R395 WeakPolarHBondContact CA-O 3.31Å; L349-R395 HydrophobicContact CB-CB 4.13Å; L349-R395 PolarHBondContact N-O 3.44Å; L349-R395 PolarHBondContact O-N 2.74Å; W357-R395 VanDerWaalsContact CE2-CZ 3.48Å; W357-R395 HydrophobicContact CE3-CB 4.35Å; W357-R395 HydrophobicContact CE3-CG 4.34Å; W357-R395 HydrophobicContact CH2-CB 4.23Å; W357-R395 HydrophobicContact CH2-CG 3.56Å; W357-R395 HydrophobicContact CZ2-CG 4.33Å; W357-R395 HydrophobicContact CZ3-CB 3.73Å; W357-R395 HydrophobicContact CZ3-CG 3.58Å
396	I	98.6	Very high	97.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.9	170.1	-48	-53.8	0	0	0	107.6	W315 L316 I329 Y346 V348 V394 L407 L409	W315-I396 VanDerWaalsContact CA-O 3.27Å; W315-I396 WeakPolarHBondContact CA-O 3.48Å; L316-I396 PolarHBondContact N-O 3.45Å; L316-I396 PolarHBondContact O-N 3.38Å; I329-I396 HydrophobicContact CD1-CD1 3.53Å; I329-I396 HydrophobicContact CD1-CG1 3.93Å; Y346-I396 HydrophobicContact CD2-CG2 3.86Å; Y346-I396 HydrophobicContact CE2-CG2 4.49Å; Y346-I396 HydrophobicContact CG-CG2 4.02Å; V348-I396 HydrophobicContact CG1-CD1 4.27Å; V348-I396 HydrophobicContact CG2-CD1 3.87Å; V394-I396 HydrophobicContact CG1-CD1 3.87Å; I396-L407 HydrophobicContact CB-CD2 4.38Å; I396-L407 HydrophobicContact CG2-CD2 3.95Å; I396-L409 HydrophobicContact CG1-CD2 4.12Å
397	N	98.2	Very high	97.4	Very high	22 Å²	22	35.1 Å²	35.1	12%	0.118	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	103.3	-176.5	168.2	-121.7	0	0	0	109.6	R312 Q314 Y346 R347 L349	R312-N397 PolarHBondContact O-ND2 2.81Å; Q314-N397 PolarHBondContact O-ND2 3.19Å; Y346-N397 CarbonylContact C-O 3.47Å; Y346-N397 VanDerWaalsContact CA-O 3.3Å; Y346-N397 WeakPolarHBondContact CA-O 3.4Å; Y346-N397 WeakPolarHBondContact CB-O 3.11Å; R347-N397 PolarHBondContact N-O 2.88Å; R347-N397 PolarHBondContact O-N 3.2Å; L349-N397 HydrophobicContact CD1-CB 3.77Å
398	P	98.4	Very high	97.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	142	176.5	-25.3	37.1	0	0	0	112.5	W305 Q314 V343 W401 I405	W305-P398 HydrophobicContact CZ3-CG 4.49Å; Q314-P398 WeakPolarHBondContact O-CD 3.45Å; V343-P398 HydrophobicContact CG1-CB 3.97Å; V343-P398 HydrophobicContact CG1-CG 4.42Å; V343-P398 HydrophobicContact CG2-CB 4Å; V343-P398 HydrophobicContact CG2-CG 3.97Å; P398-W401 HydrophobicContact CB-CE3 4.14Å; P398-W401 HydrophobicContact CB-CZ3 4.44Å; P398-I405 HydrophobicContact CB-CD1 3.86Å; P398-I405 HydrophobicContact CB-CG1 4.01Å; P398-I405 HydrophobicContact CB-CG2 4.24Å; P398-I405 HydrophobicContact CG-CD1 4.19Å; P398-I405 HydrophobicContact CG-CG1 4.42Å; P398-I405 HydrophobicContact CG-CG2 3.77Å
399	T	97.9	Very high	97.6	Very high	15 Å²	15	30.2 Å²	30.2	9%	0.092	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-23.5	-178.4	60.1	0	0	0	0	113.5	R312 A345 R347	R312-T399 PolarHBondContact NE-O 2.73Å; A345-T399 VanDerWaalsContact C-OG1 3.26Å; A345-T399 PolarHBondContact O-N 2.85Å; A345-T399 PolarHBondContact O-OG1 3.08Å; R347-T399 HydrophobicContact CG-CG2 3.91Å
400	S	98.2	Very high	97.7	Very high	53 Å²	53	30 Å²	30	37%	0.371	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	147.4	172.9	-172.2	0	0	0	0	109.6	K344 A345	K344-S400 PolarHBondContact N-O 2.87Å; A345-S400 PolarHBondContact N-O 3.44Å; A345-S400 VanDerWaalsContact N-O 3.09Å; A345-S400 PolarHBondContact O-N 2.72Å
401	W	98	Very high	97.7	Very high	56 Å²	56	25.4 Å²	25.4	21%	0.212	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	164.2	-174.1	50.2	85.3	0	0	0	110.9	S310 R312 F342 P398 R404 I405	S310-W401 WeakPolarHBondContact O-CZ2 3.48Å; R312-W401 HydrophobicContact CG-CH2 4.14Å; R312-W401 HydrophobicContact CG-CZ3 4.27Å; F342-W401 CarbonylContact O-C 3.52Å; F342-W401 WeakPolarHBondContact O-CA 3.47Å; F342-W401 VanDerWaalsContact O-CB 3.27Å; F342-W401 WeakPolarHBondContact O-CB 3.25Å; P398-W401 HydrophobicContact CB-CE3 4.14Å; P398-W401 HydrophobicContact CB-CZ3 4.44Å; W401-R404 VanDerWaalsContact CD1-C 3.48Å; W401-I405 HydrophobicContact CB-CG1 4.3Å; W401-I405 HydrophobicContact CD2-CD1 4.18Å; W401-I405 HydrophobicContact CD2-CG1 3.47Å; W401-I405 VanDerWaalsContact CD2-CG1 3.47Å; W401-I405 HydrophobicContact CE3-CD1 3.82Å; W401-I405 HydrophobicContact CE3-CG1 3.48Å; W401-I405 VanDerWaalsContact CE3-CG1 3.48Å; W401-I405 HydrophobicContact CG-CG1 3.82Å; W401-I405 HydrophobicContact CH2-CD1 4.26Å; W401-I405 HydrophobicContact CZ3-CD1 3.86Å; W401-I405 HydrophobicContact CZ3-CG1 4.06Å
402	E	97.2	Very high	97.7	Very high	62 Å²	62	26.8 Å²	26.8	29%	0.29	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.9	170.1	-171.7	51.1	-119	0	0	110	F342 K344 R404	F342-E402 HydrophobicContact CD1-CB 3.68Å; F342-E402 HydrophobicContact CD1-CG 4.27Å; F342-E402 HydrophobicContact CD2-CB 4.22Å; F342-E402 HydrophobicContact CE1-CB 3.34Å; F342-E402 HydrophobicContact CE1-CG 3.57Å; F342-E402 HydrophobicContact CE2-CB 3.93Å; F342-E402 HydrophobicContact CG-CB 4.12Å; F342-E402 HydrophobicContact CZ-CB 3.48Å; F342-E402 VanDerWaalsContact CZ-CB 3.48Å; F342-E402 HydrophobicContact CZ-CG 3.84Å; F342-E402 PolarHBondContact O-N 2.96Å; K344-E402 WeakPolarHBondContact CE-OE2 3.35Å; K344-E402 IonicContact NZ-OE2 2.78Å; K344-E402 PolarHBondContact NZ-OE2 2.97Å; E402-R404 PolarHBondContact O-N 3.26Å; E402-R404 VanDerWaalsContact O-O 3.12Å
403	Q	95.6	Very high	97.7	Very high	124 Å²	124	23.4 Å²	23.4	58%	0.579	11%	0.111	S	C	*	.	S	Bend	trans	56.6	-62.8	-175.4	-53.9	-179	32.2	0	0	115.6	Y341	Y341-Q403 HydrophobicContact CD1-CB 3.81Å; Y341-Q403 HydrophobicContact CE1-CB 3.87Å
404	R	96.3	Very high	97.5	Very high	47 Å²	47	24.3 Å²	24.3	18%	0.177	12%	0.119	C	C	.	.	S	Bend	trans	-133	159.7	176	-56.6	-169.1	101.1	-94	0	111.6	P307 S308 Y341 W401 E402 A406	P307-R404 PolarHBondContact O-NH1 2.83Å; S308-R404 PolarHBondContact O-NH2 2.94Å; Y341-R404 HydrophobicContact CD2-CB 3.97Å; Y341-R404 HydrophobicContact CD2-CG 4.23Å; Y341-R404 HydrophobicContact CE2-CB 4.35Å; Y341-R404 HydrophobicContact CE2-CG 4.1Å; Y341-R404 HydrophobicContact CG-CB 4.09Å; W401-R404 VanDerWaalsContact CD1-C 3.48Å; E402-R404 PolarHBondContact O-N 3.26Å; E402-R404 VanDerWaalsContact O-O 3.12Å; R404-A406 PolarHBondContact O-N 3.47Å
405	I	98.1	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.			trans	-67.3	120.8	165.7	-65.1	171.6	0	0	0	108.7	W305 A306 P307 S310 D311 Q314 V343 P398 W401	W305-I405 HydrophobicContact CH2-CG2 4.39Å; W305-I405 HydrophobicContact CZ3-CG2 4.1Å; A306-I405 WeakPolarHBondContact CA-O 3.44Å; A306-I405 WeakPolarHBondContact CB-O 3.27Å; P307-I405 VanDerWaalsContact CD-CG2 3.46Å; P307-I405 HydrophobicContact CG-CB 3.75Å; P307-I405 HydrophobicContact CG-CD1 3.91Å; P307-I405 HydrophobicContact CG-CG1 4.4Å; P307-I405 HydrophobicContact CG-CG2 3.83Å; S310-I405 PolarHBondContact OG-N 2.87Å; S310-I405 VanDerWaalsContact OG-N 3.08Å; D311-I405 WeakPolarHBondContact O-CD1 3.42Å; Q314-I405 HydrophobicContact CB-CD1 4.03Å; Q314-I405 HydrophobicContact CG-CD1 4.19Å; V343-I405 HydrophobicContact CG2-CG2 4.07Å; P398-I405 HydrophobicContact CB-CD1 3.86Å; P398-I405 HydrophobicContact CB-CG1 4.01Å; P398-I405 HydrophobicContact CB-CG2 4.24Å; P398-I405 HydrophobicContact CG-CD1 4.19Å; P398-I405 HydrophobicContact CG-CG1 4.42Å; P398-I405 HydrophobicContact CG-CG2 3.77Å; W401-I405 HydrophobicContact CB-CG1 4.3Å; W401-I405 HydrophobicContact CD2-CD1 4.18Å; W401-I405 HydrophobicContact CD2-CG1 3.47Å; W401-I405 VanDerWaalsContact CD2-CG1 3.47Å; W401-I405 HydrophobicContact CE3-CD1 3.82Å; W401-I405 HydrophobicContact CE3-CG1 3.48Å; W401-I405 VanDerWaalsContact CE3-CG1 3.48Å; W401-I405 HydrophobicContact CG-CG1 3.82Å; W401-I405 HydrophobicContact CH2-CD1 4.26Å; W401-I405 HydrophobicContact CZ3-CD1 3.86Å; W401-I405 HydrophobicContact CZ3-CG1 4.06Å
406	A	97.1	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.			trans	-143.1	130.2	169.3	0	0	0	0	0	108.9	W291 P304 W305 Y341 V343 R404	W291-A406 HydrophobicContact CZ3-CB 4.03Å; P304-A406 HydrophobicContact CG-CB 3.79Å; W305-A406 WeakPolarHBondContact O-CA 3.32Å; Y341-A406 VanDerWaalsContact CB-CB 3.47Å; V343-A406 PolarHBondContact N-O 3.38Å; R404-A406 PolarHBondContact O-N 3.47Å
407	L	97.3	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-147.8	127.1	-171.5	-175.3	67.6	0	0	0	112.6	W305 T331 V343 I396 L409	W305-L407 HydrophobicContact CE3-CB 4.19Å; W305-L407 HydrophobicContact CE3-CD2 4.48Å; W305-L407 HydrophobicContact CZ3-CD2 4.43Å; W305-L407 PolarHBondContact N-O 2.86Å; W305-L407 PolarHBondContact O-N 3.45Å; T331-L407 HydrophobicContact CG2-CD1 3.84Å; V343-L407 HydrophobicContact CB-CD1 4.48Å; V343-L407 HydrophobicContact CG2-CB 4.28Å; V343-L407 HydrophobicContact CG2-CD1 4.4Å; I396-L407 HydrophobicContact CB-CD2 4.38Å; I396-L407 HydrophobicContact CG2-CD2 3.95Å; L407-L409 HydrophobicContact CD2-CD2 3.73Å; L407-L409 HydrophobicContact CG-CD2 4.07Å
408	K	97.6	Very high	93.1	Very high	7 Å²	7	34 Å²	34	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.5	153.8	-43.8	-175.1	-178.7	-178.3	0	109.3	A296 K300 G302 P304 T331 T332 D335	A296-K408 CarbonylContact O-C 3.53Å; A296-K408 WeakPolarHBondContact O-CA 3.46Å; K300-K408 PolarHBondContact O-NZ 2.77Å; G302-K408 WeakPolarHBondContact O-CE 3.34Å; G302-K408 PolarHBondContact O-NZ 3.34Å; P304-K408 HydrophobicContact CB-CD 4.41Å; P304-K408 HydrophobicContact CB-CG 3.59Å; T331-K408 WeakPolarHBondContact CA-O 3.33Å; T332-K408 HydrophobicContact CG2-CB 3.79Å; T332-K408 HydrophobicContact CG2-CD 4.42Å; T332-K408 HydrophobicContact CG2-CG 4.33Å; T332-K408 PolarHBondContact N-O 2.83Å; T332-K408 PolarHBondContact O-N 2.79Å; D335-K408 VanDerWaalsContact CG-NZ 3.25Å; D335-K408 IonicContact OD1-NZ 3.16Å; D335-K408 IonicContact OD2-NZ 2.91Å; D335-K408 PolarHBondContact OD2-NZ 3.07Å
409	L	97.6	Very high	90.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.8	180	70.9	105	0	0	0	114.3	L263 A296 L298 L316 I329 V330 T331 I396 L407 L411	L263-L409 HydrophobicContact CD2-CD1 3.62Å; L263-L409 HydrophobicContact CD2-CG 4.03Å; A296-L409 PolarHBondContact O-N 2.89Å; L298-L409 PolarHBondContact N-O 3Å; L316-L409 HydrophobicContact CD1-CD2 4.26Å; L316-L409 HydrophobicContact CD2-CD2 3.93Å; I329-L409 HydrophobicContact CD1-CB 4.37Å; I329-L409 HydrophobicContact CD1-CD1 4.33Å; I329-L409 HydrophobicContact CG1-CB 4.42Å; V330-L409 CarbonylContact O-C 3.59Å; V330-L409 WeakPolarHBondContact O-CA 3.42Å; V330-L409 WeakPolarHBondContact O-CB 3.46Å; T331-L409 HydrophobicContact CG2-CB 4.31Å; I396-L409 HydrophobicContact CG1-CD2 4.12Å; L407-L409 HydrophobicContact CD2-CD2 3.73Å; L407-L409 HydrophobicContact CG-CD2 4.07Å; L409-L411 HydrophobicContact CD1-CD1 4.1Å; L409-L411 HydrophobicContact CD1-CG 3.84Å
410	E	97.9	Very high	88.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.2	162.5	179.2	59.8	-78.9	0	0	108.8	T260 G262 L263 E264 L298 I329 V330 F412	T260-E410 HydrophobicContact CG2-CG 3.77Å; G262-E410 PolarHBondContact N-OE1 3.42Å; L263-E410 WeakPolarHBondContact CB-OE1 3.36Å; L263-E410 VanDerWaalsContact CD1-OE1 3.25Å; L263-E410 WeakPolarHBondContact CD1-OE1 3.37Å; L263-E410 PolarHBondContact N-OE1 3.07Å; L263-E410 PolarHBondContact N-OE2 3.09Å; E264-E410 WeakPolarHBondContact CB-OE2 3.36Å; E264-E410 PolarHBondContact N-OE2 2.88Å; L298-E410 HydrophobicContact CB-CB 3.76Å; L298-E410 HydrophobicContact CD2-CB 3.67Å; L298-E410 HydrophobicContact CG-CB 4.34Å; I329-E410 WeakPolarHBondContact CA-O 3.43Å; V330-E410 PolarHBondContact N-O 2.83Å; V330-E410 PolarHBondContact O-N 3.34Å; E410-F412 HydrophobicContact CB-CE2 4.19Å; E410-F412 HydrophobicContact CG-CE2 3.99Å; E410-F412 HydrophobicContact CG-CZ 4.13Å
411	L	98.2	Very high	85.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.2	176.6	-70.7	164.9	0	0	0	109.2	L261 L263 V318 F320 I326 I329 F385 V394 L409	L261-L411 HydrophobicContact CB-CB 4.42Å; L261-L411 WeakPolarHBondContact CB-O 3.33Å; L261-L411 HydrophobicContact CD1-CB 4.07Å; L261-L411 WeakPolarHBondContact CG-O 3.33Å; L261-L411 PolarHBondContact N-O 2.04Å; L263-L411 HydrophobicContact CD1-CB 4.36Å; L263-L411 HydrophobicContact CD1-CD1 4.45Å; V318-L411 HydrophobicContact CB-CD1 4.38Å; V318-L411 HydrophobicContact CG2-CD1 4.01Å; F320-L411 HydrophobicContact CE2-CD1 4.29Å; F320-L411 HydrophobicContact CZ-CB 4.08Å; F320-L411 HydrophobicContact CZ-CD1 3.63Å; F320-L411 HydrophobicContact CZ-CG 4.48Å; I326-L411 HydrophobicContact CG2-CB 4.42Å; I326-L411 HydrophobicContact CG2-CD2 4.15Å; I329-L411 HydrophobicContact CB-CD2 3.71Å; I329-L411 HydrophobicContact CD1-CD2 4.03Å; I329-L411 HydrophobicContact CG1-CD2 3.8Å; F385-L411 HydrophobicContact CE2-CD2 4.39Å; V394-L411 HydrophobicContact CB-CD1 4.32Å; V394-L411 HydrophobicContact CG1-CD1 4.25Å; L409-L411 HydrophobicContact CD1-CD1 4.1Å; L409-L411 HydrophobicContact CD1-CG 3.84Å
412	F	97.3	Very high	82.5	Confident	30 Å²	30	52.1 Å²	52.1	13%	0.132	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.4	-176.9	-63.5	-100.8	0	0	0	110.3	S258 G259 T260 I326 T327 A328 V330 E410	S258-F412 WeakPolarHBondContact O-CD1 3.48Å; G259-F412 CarbonylContact O-C 3.6Å; G259-F412 WeakPolarHBondContact O-CA 3.43Å; T260-F412 HydrophobicContact CG2-CD1 4.05Å; T260-F412 HydrophobicContact CG2-CE1 3.58Å; T260-F412 HydrophobicContact CG2-CZ 4.07Å; I326-F412 CarbonylContact C-O 3.5Å; I326-F412 WeakPolarHBondContact CA-O 3.09Å; I326-F412 WeakPolarHBondContact CG2-O 3.14Å; T327-F412 PolarHBondContact N-O 3.39Å; T327-F412 PolarHBondContact OG1-O 2.9Å; A328-F412 HydrophobicContact CB-CB 4.14Å; A328-F412 HydrophobicContact CB-CD2 4.36Å; A328-F412 PolarHBondContact N-O 3.46Å; A328-F412 PolarHBondContact O-N 3.4Å; V330-F412 HydrophobicContact CB-CE2 3.94Å; V330-F412 HydrophobicContact CG2-CD2 4.36Å; V330-F412 HydrophobicContact CG2-CE2 3.48Å; V330-F412 VanDerWaalsContact CG2-CE2 3.48Å; V330-F412 HydrophobicContact CG2-CZ 4.03Å; E410-F412 HydrophobicContact CB-CE2 4.19Å; E410-F412 HydrophobicContact CG-CE2 3.99Å; E410-F412 HydrophobicContact CG-CZ 4.13Å
413	G	96.1	Very high	79.8	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.1	-157.4	-178.7	0	0	0	0	0	114.2	G259 R325	G259-G413 PolarHBondContact N-O 3.42Å; G259-G413 PolarHBondContact O-N 2.84Å; R325-G413 CarbonylContact O-C 3.56Å; R325-G413 WeakPolarHBondContact O-CA 3.43Å
414	C	95.1	Very high	76.9	Confident	36 Å²	36	53 Å²	53	24%	0.243	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	-179.3	178.9	65.2	0	0	0	0	112	C257 R325	C257-C414 HydrophobicContact CB-CB 3.93Å; C257-C414 WeakPolarHBondContact CB-SG 3.45Å; C257-C414 WeakPolarHBondContact SG-CB 3.26Å; C257-C414 PolarHBondContact SG-N 3.43Å; C257-C414 CovalentContact SG-SG 2.04Å; C257-C414 PolarHBondContact SG-SG 2.83Å; R325-C414 PolarHBondContact N-O 3.29Å; R325-C414 PolarHBondContact O-N 3.33Å
415	V	92.3	Very high	74	Confident	85 Å²	85	59.8 Å²	59.8	52%	0.515	39%	0.394	S	S	.	.			trans	-81.7	133.3	171	-178.4	0	0	0	0	109.1	G417 G418	V415-G417 PolarHBondContact O-N 3.01Å; V415-G418 PolarHBondContact O-N 3.12Å; V415-G418 VanDerWaalsContact O-N 3.16Å
416	P	83.8	Confident	70.9	Confident	51 Å²	51	66.6 Å²	66.6	33%	0.331	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.9	175.5	-24.6	34.6	0	0	0	111.4	E323 R325 G418	E323-P416 WeakPolarHBondContact O-CD 3.49Å; R325-P416 HydrophobicContact CB-CG 4.47Å; P416-G418 VanDerWaalsContact C-N 3.29Å; P416-G418 PolarHBondContact O-N 3.07Å
417	G	69.4	Low	67.9	Low	84 Å²	84	76.1 Å²	76.1	87%	0.866	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-6.2	-178.9	0	0	0	0	0	116.5	V415 G419	V415-G417 PolarHBondContact O-N 3.01Å; G417-G419 PolarHBondContact O-N 2.8Å
418	G	55.9	Low	64.6	Low	59 Å²	59	82.5 Å²	82.5	61%	0.608	51%	0.51	S	S	*	.			trans	-72.6	-1.3	-179.7	0	0	0	0	0	116.2	V415 P416 R420	V415-G418 PolarHBondContact O-N 3.12Å; V415-G418 VanDerWaalsContact O-N 3.16Å; P416-G418 VanDerWaalsContact C-N 3.29Å; P416-G418 PolarHBondContact O-N 3.07Å; G418-R420 PolarHBondContact O-N 3.2Å
419	G	45.9	Very low	61.3	Low	71 Å²	71	88 Å²	88	73%	0.732	55%	0.545	S	S	*	.			trans	-75.3	27.1	-171.3	0	0	0	0	0	116.6	G417	G417-G419 PolarHBondContact O-N 2.8Å
420	R	44.9	Very low	58.2	Low	236 Å²	236	94.2 Å²	94.2	89%	0.891	59%	0.588	S	S	*	*	S	Bend	trans	-137.4	109.3	171.4	-88.5	-172.4	167	178.5	-4.4	111.9	G418	G418-R420 PolarHBondContact O-N 3.2Å
421	A	41.8	Very low	55	Low	89 Å²	89	97.7 Å²	97.7	74%	0.736	62%	0.624	S	S	*	*			trans	54.3	87	160.1	0	0	0	0	0	117.3	A423	A421-A423 HydrophobicContact CB-CB 4.31Å; A421-A423 PolarHBondContact O-N 2.92Å
422	A	37.7	Very low	51.8	Low	109 Å²	109	104 Å²	104	90%	0.901	67%	0.668	S	S	*	*			trans	-72	60.1	142.5	0	0	0	0	0	109.9	T424	A422-T424 PolarHBondContact O-N 2.78Å
423	A	39.8	Very low	48.6	Very low	74 Å²	74	106.4 Å²	106.4	61%	0.612	70%	0.701	S	S	*	*			trans	-76.5	113.3	164.1	0	0	0	0	0	106.8	A421 K425	A421-A423 HydrophobicContact CB-CB 4.31Å; A421-A423 PolarHBondContact O-N 2.92Å; A423-K425 VanDerWaalsContact C-N 3.33Å; A423-K425 PolarHBondContact O-N 3.21Å
424	T	34.9	Very low	45.6	Very low	129 Å²	129	111.9 Å²	111.9	79%	0.791	74%	0.738	S	S	*	*			trans	-62.5	90	-179.4	-47.1	0	0	0	0	110.4	A422 L426	A422-T424 PolarHBondContact O-N 2.78Å; T424-L426 HydrophobicContact CG2-CD1 4.2Å; T424-L426 PolarHBondContact O-N 2.95Å; T424-L426 VanDerWaalsContact O-N 3.08Å
425	K	35.2	Very low	42.7	Very low	191 Å²	191	116.9 Å²	116.9	83%	0.83	77%	0.768	S	S	*	*			trans	-72.2	99.8	164.6	-77.2	-167.1	174.5	-173.2	0	107.9	A423 F427	A423-K425 VanDerWaalsContact C-N 3.33Å; A423-K425 PolarHBondContact O-N 3.21Å; K425-F427 PolarHBondContact O-N 3.12Å
426	L	33.6	Very low	40.1	Very low	142 Å²	142	118.1 Å²	118.1	74%	0.743	78%	0.778	S	S	*	*			trans	-52.4	135.1	158.6	-97.2	72.9	0	0	0	108.3	T424 T428	T424-L426 HydrophobicContact CG2-CD1 4.2Å; T424-L426 PolarHBondContact O-N 2.95Å; T424-L426 VanDerWaalsContact O-N 3.08Å; L426-T428 PolarHBondContact O-N 2.88Å
427	F	33.5	Very low	38	Very low	200 Å²	200	121.4 Å²	121.4	88%	0.877	80%	0.8	S	S	*	*			trans	-74.2	116.9	167.4	-79.8	-99.1	0	0	0	108.9	K425	K425-F427 PolarHBondContact O-N 3.12Å
428	T	28.3	Very low	36.7	Very low	134 Å²	134	123.6 Å²	123.6	82%	0.822	80%	0.798	S	S	*	*			trans	-122.3	123.4	156.4	36.4	0	0	0	0	108.7	L426	L426-T428 PolarHBondContact O-N 2.88Å
429	T	29.1	Very low	35.6	Very low	124 Å²	124	125.5 Å²	125.5	76%	0.761	81%	0.808	S	S	*	*			trans	-94.3	157.7	179	35.5	0	0	0	0	111.2
430	S	32.1	Very low	34.8	Very low	129 Å²	129	132 Å²	132	90%	0.902	82%	0.816	S	S	*	*			trans	69.8	139.8	-175.5	79.4	0	0	0	0	115.4
431	G	30.1	Very low	34.3	Very low	74 Å²	74	127 Å²	127	76%	0.763	81%	0.813	S	S	*	*			cis	156.9	113.5	-11.1	0	0	0	0	0	113.1
432	S	31.1	Very low	33.7	Very low	133 Å²	133	132.8 Å²	132.8	93%	0.93	82%	0.821	S	S	*	*			trans	-171.9	155.1	147.4	60.1	0	0	0	0	108.8
433	G	30.5	Very low	33.5	Very low	79 Å²	79	136.5 Å²	136.5	81%	0.814	82%	0.819	S	S	*	*			trans	-102.5	157.7	-171.1	0	0	0	0	0	114.4
434	S	32	Very low	33.5	Very low	120 Å²	120	138 Å²	138	84%	0.839	82%	0.823	S	S	*	*			trans	-153.6	139.3	149.8	53.5	0	0	0	0	110.4
435	T	34.1	Very low	33.8	Very low	142 Å²	142	138.3 Å²	138.3	87%	0.871	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-94.9	136.6	-170.7	-30.3	0	0	0	0	111.1
436	P	37.9	Very low	33.5	Very low	110 Å²	110	137.2 Å²	137.2	71%	0.714	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-101.8	141	166.5	30.3	-20.9	0	0	0	112.8
437	P	40.4	Very low	33.5	Very low	121 Å²	121	137.2 Å²	137.2	79%	0.786	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83	169.4	178.7	34.5	-35.6	0	0	0	113.5
438	P	40.9	Very low	33.3	Very low	130 Å²	130	132.8 Å²	132.8	84%	0.844	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-93	170.8	-151.8	36	-37.8	0	0	0	117.1
439	A	33.6	Very low	33.3	Very low	99 Å²	99	135.1 Å²	135.1	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.1	156.8	-174.6	0	0	0	0	0	115.8
440	K	30.2	Very low	33.3	Very low	207 Å²	207	133.2 Å²	133.2	90%	0.9	82%	0.817	S	S	*	*			trans	-114.9	129.6	161.3	-77.1	-173.5	176.9	179.1	0	111.1
441	T	33.4	Very low	33	Very low	132 Å²	132	132.5 Å²	132.5	81%	0.81	81%	0.807	S	S	*	*			trans	-77.9	150.9	177.6	42.1	0	0	0	0	112.5
442	K	29.1	Very low	32.9	Very low	210 Å²	210	137.2 Å²	137.2	91%	0.913	81%	0.809	S	S	*	*			trans	-139.6	139.6	144.6	-76.7	-162.9	175.6	-177.5	0	110.1
443	H	33.1	Very low	33	Very low	186 Å²	186	136.4 Å²	136.4	86%	0.861	80%	0.798	S	S	*	*			trans	-112.4	167	174.4	-110.9	38.4	0	0	0	109.5
444	P	40.1	Very low	33.5	Very low	107 Å²	107	138.2 Å²	138.2	70%	0.695	80%	0.796	S	S	*	*			trans	-86.9	167	-170.4	36.4	-36.7	0	0	0	113.3
445	P	42	Very low	33.3	Very low	134 Å²	134	139 Å²	139	87%	0.87	79%	0.791	S	S	*	*			trans	-89.8	154.1	167.6	35.4	-31.6	0	0	0	112.6
446	H	29.1	Very low	33.4	Very low	168 Å²	168	138.8 Å²	138.8	78%	0.778	78%	0.783	S	S	*	*			trans	-136.9	129.2	-176.8	177.3	-94.5	0	0	0	111.3
447	L	33.3	Very low	33.1	Very low	143 Å²	143	144.7 Å²	144.7	75%	0.749	79%	0.791	S	S	*	*			trans	46.3	145.6	147.2	-154.3	71.3	0	0	0	123.5
448	S	29.8	Very low	32.8	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	80%	0.796	S	S	*	*			trans	113.2	138.8	158.1	81.9	0	0	0	0	113.5
449	E	27	Very low	32.3	Very low	183 Å²	183	146.5 Å²	146.5	86%	0.855	79%	0.792	S	S	*	*			cis	-156.2	164.2	39.4	-168.7	163.3	-174.1	0	0	114
450	A	28.7	Very low	32.2	Very low	84 Å²	84	148.7 Å²	148.7	69%	0.694	80%	0.795	S	S	*	*			trans	-64.1	172.3	-175.1	0	0	0	0	0	115.1
451	T	26.4	Very low	32.2	Very low	114 Å²	114	147.2 Å²	147.2	70%	0.699	79%	0.793	S	S	*	*				178.8	141.6	73.1	-66.7	0	0	0	0	114.4
452	H	28.9	Very low	32.1	Very low	173 Å²	173	145.2 Å²	145.2	80%	0.801	78%	0.782	S	S	*	*			trans	70.4	144	157.3	-86.6	-63.8	0	0	0	127.4
453	T	32.3	Very low	32.4	Very low	116 Å²	116	141.4 Å²	141.4	71%	0.712	78%	0.779	S	S	*	*			trans	-82	174	176.4	35.7	0	0	0	0	113
454	P	41.9	Very low	32.3	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	77%	0.774	S	S	*	*			cis	-153.2	179	39.3	44.2	-21.5	0	0	0	121.8
455	D	26.3	Very low	32	Very low	137 Å²	137	141.3 Å²	141.3	73%	0.733	78%	0.782	S	S	*	*			trans	81.7	105.2	146.4	-107.1	8.2	0	0	0	125
456	I	36.2	Very low	32	Very low	138 Å²	138	136.5 Å²	136.5	71%	0.708	76%	0.757	S	S	*	*			trans	33.7	116.9	133.7	-56.4	171.1	0	0	0	119.5
457	R	31.5	Very low	32.7	Very low	234 Å²	234	136.8 Å²	136.8	88%	0.883	76%	0.756	S	S	*	*				-154.6	112.8	125.7	-110.8	173.3	-168.3	-170.6	3.6	112	T459	R457-T459 PolarHBondContact O-N 2.93Å
458	N	34.2	Very low	33.4	Very low	166 Å²	166	135 Å²	135	89%	0.888	75%	0.747	S	S	*	*			trans	-76.2	111.9	171.5	-78	-14.5	0	0	0	110.3
459	T	32.1	Very low	34.4	Very low	123 Å²	123	135.1 Å²	135.1	76%	0.755	74%	0.744	S	S	*	*			trans	-143.9	86.4	167.9	-43.4	0	0	0	0	111.5	R457	R457-T459 PolarHBondContact O-N 2.93Å
460	T	31.8	Very low	35.5	Very low	144 Å²	144	131.4 Å²	131.4	88%	0.883	73%	0.733	S	S	*	*			trans	-137.4	108.3	162.7	-38.8	0	0	0	0	109.8
461	M	29.3	Very low	36.5	Very low	176 Å²	176	132.3 Å²	132.3	87%	0.867	73%	0.726	S	S	*	*			trans	-65.2	150.8	167.5	-95.2	-172.5	165.8	0	0	110.8
462	P	32.2	Very low	37.7	Very low	90 Å²	90	132.7 Å²	132.7	58%	0.584	72%	0.721	S	S	*	*			trans	-79	145.9	-178.2	32.6	-35.2	0	0	0	112.3	H464	P462-H464 PolarHBondContact O-N 2.84Å; P462-H464 VanDerWaalsContact O-N 3.15Å
463	P	33.6	Very low	39.1	Very low	131 Å²	131	127.6 Å²	127.6	85%	0.851	71%	0.709	S	S	*	*			trans	-74.7	100	162.3	30.4	-31.1	0	0	0	109.8	C465	P463-C465 PolarHBondContact O-N 3.5Å
464	H	32.7	Very low	40.6	Very low	161 Å²	161	126.2 Å²	126.2	75%	0.745	70%	0.7	S	S	*	*			trans	-77	98.4	167.2	-87.1	-49.8	0	0	0	111.1	P462	P462-H464 PolarHBondContact O-N 2.84Å; P462-H464 VanDerWaalsContact O-N 3.15Å
465	C	32.2	Very low	41.8	Very low	129 Å²	129	125 Å²	125	87%	0.872	69%	0.687	S	S	*	*			trans	-166.1	136.3	143.6	-152.6	0	0	0	0	110	P463	P463-C465 PolarHBondContact O-N 3.5Å
466	G	41.7	Very low	44	Very low	34 Å²	34	122.6 Å²	122.6	35%	0.351	68%	0.677	S	S	.	*			cis	-142.4	140.6	-0.5	0	0	0	0	0	111.5	D468	G466-D468 PolarHBondContact O-N 3.45Å
467	K	44.3	Very low	45.9	Very low	173 Å²	173	119.4 Å²	119.4	75%	0.752	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-10.6	174.4	-78	172	171.6	171.8	0	112.2	V469 L471	K467-V469 PolarHBondContact O-N 2.61Å; K467-L471 PolarHBondContact O-N 3.42Å
468	D	47.7	Very low	48.3	Very low	105 Å²	105	112.1 Å²	112.1	56%	0.561	65%	0.647	S	S	*	*	H	α-helix	trans	-69.3	-30.4	-177.3	-45.9	-70.3	0	0	0	113	G466 L471 M472	G466-D468 PolarHBondContact O-N 3.45Å; D468-L471 PolarHBondContact O-N 2.94Å; D468-M472 VanDerWaalsContact O-CB 3.26Å; D468-M472 WeakPolarHBondContact O-CB 3.26Å; D468-M472 WeakPolarHBondContact O-CG 3.48Å; D468-M472 PolarHBondContact O-N 2.87Å
469	V	51.2	Low	50.5	Low	109 Å²	109	106.6 Å²	106.6	66%	0.661	62%	0.624	S	S	*	*	H	α-helix	trans	-68.7	-41.5	-179.8	-176.3	0	0	0	0	111.3	K467 A473	K467-V469 PolarHBondContact O-N 2.61Å; V469-A473 VanDerWaalsContact O-CB 3.24Å; V469-A473 WeakPolarHBondContact O-CB 3.37Å; V469-A473 PolarHBondContact O-N 2.87Å
470	V	50.3	Low	53	Low	106 Å²	106	104.7 Å²	104.7	64%	0.642	61%	0.612	S	S	*	*	H	α-helix	trans	-71.7	-40	177.7	-176.3	0	0	0	0	110.5	A473 V474	V470-A473 PolarHBondContact O-N 3.46Å; V470-V474 PolarHBondContact O-N 3.01Å
471	L	49.3	Very low	55.7	Low	103 Å²	103	102.5 Å²	102.5	54%	0.539	60%	0.598	S	S	.	*	H	α-helix	trans	-64.9	-44.2	177.4	-170	61.9	0	0	0	111.5	K467 D468 V474 L475	K467-L471 PolarHBondContact O-N 3.42Å; D468-L471 PolarHBondContact O-N 2.94Å; L471-V474 PolarHBondContact O-N 3.44Å; L471-L475 HydrophobicContact CD1-CD1 4.04Å; L471-L475 HydrophobicContact CD1-CG 4.19Å; L471-L475 HydrophobicContact CD2-CD1 4.36Å; L471-L475 HydrophobicContact CG-CD1 3.74Å; L471-L475 HydrophobicContact CG-CG 4.27Å; L471-L475 WeakPolarHBondContact O-CB 3.44Å; L471-L475 VanDerWaalsContact O-CG 3.28Å; L471-L475 WeakPolarHBondContact O-CG 3.34Å; L471-L475 PolarHBondContact O-N 3.21Å
472	M	51.1	Low	58.5	Low	122 Å²	122	97.8 Å²	97.8	60%	0.601	58%	0.579	S	S	*	*	H	α-helix	trans	-65.7	-38.1	174.8	-72.3	-65.6	-164.9	0	0	112.8	D468 V474 L475 V476	D468-M472 VanDerWaalsContact O-CB 3.26Å; D468-M472 WeakPolarHBondContact O-CB 3.26Å; D468-M472 WeakPolarHBondContact O-CG 3.48Å; D468-M472 PolarHBondContact O-N 2.87Å; M472-V474 PolarHBondContact O-N 3.03Å; M472-L475 PolarHBondContact O-N 3.47Å; M472-V476 WeakPolarHBondContact O-CB 3.47Å; M472-V476 WeakPolarHBondContact O-CG2 2.87Å; M472-V476 PolarHBondContact O-N 2.85Å
473	A	58.8	Low	60.9	Low	66 Å²	66	98.4 Å²	98.4	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-63.1	-24.7	177.8	0	0	0	0	0	113.5	V469 V470 P477	V469-A473 VanDerWaalsContact O-CB 3.24Å; V469-A473 WeakPolarHBondContact O-CB 3.37Å; V469-A473 PolarHBondContact O-N 2.87Å; V470-A473 PolarHBondContact O-N 3.46Å; A473-P477 WeakPolarHBondContact O-CD 3.46Å; A473-P477 WeakPolarHBondContact O-CG 3.18Å
474	V	63.8	Low	63.4	Low	87 Å²	87	95.5 Å²	95.5	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-96.8	-39.7	176	179.9	0	0	0	0	112	V470 L471 M472 P477 V478	V470-V474 PolarHBondContact O-N 3.01Å; L471-V474 PolarHBondContact O-N 3.44Å; M472-V474 PolarHBondContact O-N 3.03Å; V474-P477 WeakPolarHBondContact O-CD 3.37Å; V474-V478 VanDerWaalsContact O-CG2 3.31Å; V474-V478 WeakPolarHBondContact O-CG2 3.5Å; V474-V478 PolarHBondContact O-N 3.09Å
475	L	66.9	Low	66	Low	92 Å²	92	90.2 Å²	90.2	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-36	-179.3	-73.3	178.9	0	0	0	113.2	L471 M472 V478 A479	L471-L475 HydrophobicContact CD1-CD1 4.04Å; L471-L475 HydrophobicContact CD1-CG 4.19Å; L471-L475 HydrophobicContact CD2-CD1 4.36Å; L471-L475 HydrophobicContact CG-CD1 3.74Å; L471-L475 HydrophobicContact CG-CG 4.27Å; L471-L475 WeakPolarHBondContact O-CB 3.44Å; L471-L475 VanDerWaalsContact O-CG 3.28Å; L471-L475 WeakPolarHBondContact O-CG 3.34Å; L471-L475 PolarHBondContact O-N 3.21Å; M472-L475 PolarHBondContact O-N 3.47Å; L475-V478 PolarHBondContact O-N 2.87Å; L475-A479 VanDerWaalsContact O-CB 3.26Å; L475-A479 WeakPolarHBondContact O-CB 3.35Å; L475-A479 PolarHBondContact O-N 3.06Å
476	V	73.6	Confident	68.7	Low	85 Å²	85	88.8 Å²	88.8	52%	0.515	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-49.1	-178.6	171.9	0	0	0	0	112.2	M472 V478 A479 V480	M472-V476 WeakPolarHBondContact O-CB 3.47Å; M472-V476 WeakPolarHBondContact O-CG2 2.87Å; M472-V476 PolarHBondContact O-N 2.85Å; V476-V478 VanDerWaalsContact C-N 3.35Å; V476-V478 PolarHBondContact O-N 3.25Å; V476-A479 PolarHBondContact O-N 2.77Å; V476-V480 WeakPolarHBondContact O-CG2 3.35Å; V476-V480 PolarHBondContact O-N 2.87Å
477	P	76.3	Confident	70.9	Confident	72 Å²	72	92.5 Å²	92.5	47%	0.468	54%	0.535	S	S	.	.	H	α-helix	trans	-57.2	-43.7	172.2	-26.9	35.1	0	0	0	113.4	A473 V474 V480 V481	A473-P477 WeakPolarHBondContact O-CD 3.46Å; A473-P477 WeakPolarHBondContact O-CG 3.18Å; V474-P477 WeakPolarHBondContact O-CD 3.37Å; P477-V480 PolarHBondContact O-N 2.78Å; P477-V481 WeakPolarHBondContact O-CG2 3.39Å; P477-V481 PolarHBondContact O-N 3.4Å
478	V	81.1	Confident	72.8	Confident	81 Å²	81	89.7 Å²	89.7	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-64.3	-43.8	179.6	173.1	0	0	0	0	111.2	V474 L475 V476 V480 V481 V482	V474-V478 VanDerWaalsContact O-CG2 3.31Å; V474-V478 WeakPolarHBondContact O-CG2 3.5Å; V474-V478 PolarHBondContact O-N 3.09Å; L475-V478 PolarHBondContact O-N 2.87Å; V476-V478 VanDerWaalsContact C-N 3.35Å; V476-V478 PolarHBondContact O-N 3.25Å; V478-V480 VanDerWaalsContact C-N 3.35Å; V478-V480 PolarHBondContact O-N 2.79Å; V478-V481 PolarHBondContact O-N 2.99Å; V478-V482 HydrophobicContact CG1-CG2 4.47Å; V478-V482 WeakPolarHBondContact O-CG2 3.4Å; V478-V482 PolarHBondContact O-N 3.32Å
479	A	79.4	Confident	74.6	Confident	50 Å²	50	88.4 Å²	88.4	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-40	176.8	0	0	0	0	0	112.3	L475 V476 V482 L483	L475-A479 VanDerWaalsContact O-CB 3.26Å; L475-A479 WeakPolarHBondContact O-CB 3.35Å; L475-A479 PolarHBondContact O-N 3.06Å; V476-A479 PolarHBondContact O-N 2.77Å; A479-V482 PolarHBondContact O-N 3.05Å; A479-L483 WeakPolarHBondContact O-CB 3.47Å; A479-L483 PolarHBondContact O-N 2.73Å
480	V	86.1	Confident	76.2	Confident	83 Å²	83	87.6 Å²	87.6	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-39.6	175.8	171.8	0	0	0	0	111.8	V476 P477 V478 T484	V476-V480 WeakPolarHBondContact O-CG2 3.35Å; V476-V480 PolarHBondContact O-N 2.87Å; P477-V480 PolarHBondContact O-N 2.78Å; V478-V480 VanDerWaalsContact C-N 3.35Å; V478-V480 PolarHBondContact O-N 2.79Å; V480-T484 WeakPolarHBondContact O-CB 3.41Å; V480-T484 WeakPolarHBondContact O-CG2 3.29Å; V480-T484 PolarHBondContact O-N 3.21Å; V480-T484 PolarHBondContact O-OG1 2.77Å
481	V	87.3	Confident	77.7	Confident	97 Å²	97	85 Å²	85	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-66.1	-41.7	175.1	172.1	0	0	0	0	111.3	P477 V478 T484 A485	P477-V481 WeakPolarHBondContact O-CG2 3.39Å; P477-V481 PolarHBondContact O-N 3.4Å; V478-V481 PolarHBondContact O-N 2.99Å; V481-T484 PolarHBondContact O-OG1 3.21Å; V481-T484 VanDerWaalsContact O-OG1 3.12Å; V481-A485 VanDerWaalsContact O-CB 3.31Å; V481-A485 WeakPolarHBondContact O-CB 3.44Å; V481-A485 PolarHBondContact O-N 2.87Å
482	V	88.1	Confident	79	Confident	77 Å²	77	84 Å²	84	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-43.5	176.6	172.6	0	0	0	0	111.5	V478 A479 A485 L486	V478-V482 HydrophobicContact CG1-CG2 4.47Å; V478-V482 WeakPolarHBondContact O-CG2 3.4Å; V478-V482 PolarHBondContact O-N 3.32Å; A479-V482 PolarHBondContact O-N 3.05Å; V482-A485 PolarHBondContact O-N 3.31Å; V482-L486 HydrophobicContact CG1-CD1 3.97Å; V482-L486 HydrophobicContact CG1-CG 4.48Å; V482-L486 WeakPolarHBondContact O-CB 3.36Å; V482-L486 VanDerWaalsContact O-CG 3.31Å; V482-L486 WeakPolarHBondContact O-CG 3.25Å; V482-L486 PolarHBondContact O-N 2.7Å
483	L	83.6	Confident	80.4	Confident	104 Å²	104	82.5 Å²	82.5	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-43.1	176.8	-90.3	156.6	0	0	0	112.5	A479 L486 I487	A479-L483 WeakPolarHBondContact O-CB 3.47Å; A479-L483 PolarHBondContact O-N 2.73Å; L483-L486 PolarHBondContact O-N 3.29Å; L483-I487 WeakPolarHBondContact O-CD1 3.03Å; L483-I487 VanDerWaalsContact O-CG1 3.27Å; L483-I487 WeakPolarHBondContact O-CG1 3.27Å; L483-I487 PolarHBondContact O-N 3.04Å
484	T	86.1	Confident	81.1	Confident	70 Å²	70	82.6 Å²	82.6	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-67.6	-38.4	177	50.2	0	0	0	0	111.7	V480 V481 I487 L488	V480-T484 WeakPolarHBondContact O-CB 3.41Å; V480-T484 WeakPolarHBondContact O-CG2 3.29Å; V480-T484 PolarHBondContact O-N 3.21Å; V480-T484 PolarHBondContact O-OG1 2.77Å; V481-T484 PolarHBondContact O-OG1 3.21Å; V481-T484 VanDerWaalsContact O-OG1 3.12Å; T484-I487 PolarHBondContact O-N 3.04Å; T484-L488 WeakPolarHBondContact O-CB 3.22Å; T484-L488 VanDerWaalsContact O-CG 3.29Å; T484-L488 WeakPolarHBondContact O-CG 3.45Å; T484-L488 PolarHBondContact O-N 2.89Å
485	A	87.1	Confident	81.1	Confident	50 Å²	50	84.2 Å²	84.2	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-60.7	-45.1	171.8	0	0	0	0	0	112.3	V481 V482 L488 T489	V481-A485 VanDerWaalsContact O-CB 3.31Å; V481-A485 WeakPolarHBondContact O-CB 3.44Å; V481-A485 PolarHBondContact O-N 2.87Å; V482-A485 PolarHBondContact O-N 3.31Å; A485-L488 PolarHBondContact O-N 2.76Å; A485-T489 WeakPolarHBondContact O-CG2 3.16Å; A485-T489 PolarHBondContact O-N 2.64Å; A485-T489 PolarHBondContact O-OG1 2.74Å
486	L	88.1	Confident	81	Confident	99 Å²	99	89.8 Å²	89.8	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-41.6	176.8	-73.4	169.4	0	0	0	112.6	V482 L483 L488 T489 V490	V482-L486 HydrophobicContact CG1-CD1 3.97Å; V482-L486 HydrophobicContact CG1-CG 4.48Å; V482-L486 WeakPolarHBondContact O-CB 3.36Å; V482-L486 VanDerWaalsContact O-CG 3.31Å; V482-L486 WeakPolarHBondContact O-CG 3.25Å; V482-L486 PolarHBondContact O-N 2.7Å; L483-L486 PolarHBondContact O-N 3.29Å; L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 PolarHBondContact O-N 3.26Å; L486-T489 PolarHBondContact O-N 2.88Å; L486-T489 PolarHBondContact O-OG1 2.7Å; L486-V490 WeakPolarHBondContact O-CG2 3.3Å; L486-V490 PolarHBondContact O-N 2.82Å
487	I	88.1	Confident	80.6	Confident	111 Å²	111	94.6 Å²	94.6	57%	0.569	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-41.1	176	-68.9	163.7	0	0	0	110.6	L483 T484 V490 A491	L483-I487 WeakPolarHBondContact O-CD1 3.03Å; L483-I487 VanDerWaalsContact O-CG1 3.27Å; L483-I487 WeakPolarHBondContact O-CG1 3.27Å; L483-I487 PolarHBondContact O-N 3.04Å; T484-I487 PolarHBondContact O-N 3.04Å; I487-V490 PolarHBondContact O-N 3.32Å; I487-A491 WeakPolarHBondContact O-CB 3.36Å; I487-A491 PolarHBondContact O-N 2.87Å
488	L	85.1	Confident	79.7	Confident	114 Å²	114	96.2 Å²	96.2	60%	0.597	53%	0.532	S	S	*	.	H	α-helix	trans	-67.1	-39.7	176.4	-71.7	171.9	0	0	0	112.5	T484 A485 L486 A491 C492	T484-L488 WeakPolarHBondContact O-CB 3.22Å; T484-L488 VanDerWaalsContact O-CG 3.29Å; T484-L488 WeakPolarHBondContact O-CG 3.45Å; T484-L488 PolarHBondContact O-N 2.89Å; A485-L488 PolarHBondContact O-N 2.76Å; L486-L488 VanDerWaalsContact C-N 3.33Å; L486-L488 PolarHBondContact O-N 3.26Å; L488-A491 PolarHBondContact O-N 2.87Å; L488-C492 WeakPolarHBondContact O-CB 3.14Å; L488-C492 PolarHBondContact O-N 3.42Å; L488-C492 PolarHBondContact O-SG 3.06Å; L488-C492 VanDerWaalsContact O-SG 3.38Å
489	T	84.2	Confident	78.5	Confident	79 Å²	79	99.3 Å²	99.3	49%	0.485	54%	0.539	S	S	.	.	H	α-helix	trans	-66.3	-40.4	175	58.3	0	0	0	0	111.8	A485 L486 C492 V493	A485-T489 WeakPolarHBondContact O-CG2 3.16Å; A485-T489 PolarHBondContact O-N 2.64Å; A485-T489 PolarHBondContact O-OG1 2.74Å; L486-T489 PolarHBondContact O-N 2.88Å; L486-T489 PolarHBondContact O-OG1 2.7Å; T489-C492 PolarHBondContact O-N 3.02Å; T489-V493 WeakPolarHBondContact O-CB 3.24Å; T489-V493 VanDerWaalsContact O-CG2 3.27Å; T489-V493 WeakPolarHBondContact O-CG2 3.39Å; T489-V493 PolarHBondContact O-N 2.83Å
490	V	85	Confident	77.1	Confident	91 Å²	91	106 Å²	106	55%	0.552	56%	0.559	S	S	*	*	H	α-helix	trans	-62.3	-43.7	173	172.3	0	0	0	0	111	L486 I487 V493 C494	L486-V490 WeakPolarHBondContact O-CG2 3.3Å; L486-V490 PolarHBondContact O-N 2.82Å; I487-V490 PolarHBondContact O-N 3.32Å; V490-V493 PolarHBondContact O-N 2.9Å; V490-C494 WeakPolarHBondContact O-CB 3.33Å; V490-C494 PolarHBondContact O-N 3.15Å; V490-C494 PolarHBondContact O-SG 3.46Å; V490-C494 VanDerWaalsContact O-SG 3.33Å
491	A	82	Confident	75.4	Confident	52 Å²	52	109.9 Å²	109.9	43%	0.43	57%	0.569	S	S	.	*	H	α-helix	trans	-61.5	-44.8	175.8	0	0	0	0	0	112	I487 L488 C494 H495	I487-A491 WeakPolarHBondContact O-CB 3.36Å; I487-A491 PolarHBondContact O-N 2.87Å; L488-A491 PolarHBondContact O-N 2.87Å; A491-C494 PolarHBondContact O-N 3.02Å; A491-H495 VanDerWaalsContact O-CB 3.3Å; A491-H495 WeakPolarHBondContact O-CB 3.33Å; A491-H495 PolarHBondContact O-N 3.39Å
492	C	78.3	Confident	73.5	Confident	81 Å²	81	110.5 Å²	110.5	55%	0.547	58%	0.578	S	S	.	*	H	α-helix	trans	-62.9	-43.4	175	-74.9	0	0	0	0	112.4	L488 T489 H495 W496	L488-C492 WeakPolarHBondContact O-CB 3.14Å; L488-C492 PolarHBondContact O-N 3.42Å; L488-C492 PolarHBondContact O-SG 3.06Å; L488-C492 VanDerWaalsContact O-SG 3.38Å; T489-C492 PolarHBondContact O-N 3.02Å; C492-H495 PolarHBondContact O-N 3.05Å; C492-W496 WeakPolarHBondContact O-CB 3.38Å; C492-W496 PolarHBondContact O-N 3.32Å
493	V	79.3	Confident	71.4	Confident	92 Å²	92	110.5 Å²	110.5	56%	0.558	59%	0.586	S	S	*	*	H	α-helix	trans	-64.4	-43.6	177	168.3	0	0	0	0	111	T489 V490 W496 R497	T489-V493 WeakPolarHBondContact O-CB 3.24Å; T489-V493 VanDerWaalsContact O-CG2 3.27Å; T489-V493 WeakPolarHBondContact O-CG2 3.39Å; T489-V493 PolarHBondContact O-N 2.83Å; V490-V493 PolarHBondContact O-N 2.9Å; V493-W496 PolarHBondContact O-N 2.79Å; V493-R497 WeakPolarHBondContact O-CB 3.41Å; V493-R497 PolarHBondContact O-N 3.49Å
494	C	73.4	Confident	69.3	Low	67 Å²	67	114.7 Å²	114.7	45%	0.453	60%	0.603	S	S	.	*	H	α-helix	trans	-62.5	-42.6	173.9	-73.8	0	0	0	0	111.9	V490 A491 R497 N498	V490-C494 WeakPolarHBondContact O-CB 3.33Å; V490-C494 PolarHBondContact O-N 3.15Å; V490-C494 PolarHBondContact O-SG 3.46Å; V490-C494 VanDerWaalsContact O-SG 3.33Å; A491-C494 PolarHBondContact O-N 3.02Å; C494-R497 PolarHBondContact O-N 3.4Å; C494-N498 WeakPolarHBondContact O-CB 3.47Å; C494-N498 PolarHBondContact O-N 3.43Å
495	H	63.8	Low	66.8	Low	121 Å²	121	114.9 Å²	114.9	56%	0.56	62%	0.619	S	S	*	*	H	α-helix	trans	-68.1	-36.5	178.1	-163.3	-41.9	0	0	0	112.4	A491 C492 K499	A491-H495 VanDerWaalsContact O-CB 3.3Å; A491-H495 WeakPolarHBondContact O-CB 3.33Å; A491-H495 PolarHBondContact O-N 3.39Å; C492-H495 PolarHBondContact O-N 3.05Å; H495-K499 PolarHBondContact O-N 3.08Å
496	W	64.4	Low	64.1	Low	209 Å²	209	117.4 Å²	117.4	79%	0.792	63%	0.634	S	S	*	*	H	α-helix	trans	-67.3	-42.4	171.4	-103.2	37.5	0	0	0	111.9	C492 V493 N498 K499 K500	C492-W496 WeakPolarHBondContact O-CB 3.38Å; C492-W496 PolarHBondContact O-N 3.32Å; V493-W496 PolarHBondContact O-N 2.79Å; W496-N498 VanDerWaalsContact C-N 3.29Å; W496-N498 PolarHBondContact O-N 3.08Å; W496-K499 PolarHBondContact O-N 3.32Å; W496-K500 WeakPolarHBondContact O-CB 3.38Å; W496-K500 PolarHBondContact O-N 3.49Å
497	R	66.6	Low	61.4	Low	187 Å²	187	122.5 Å²	122.5	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-67	-30	178.6	-162.2	171.8	-174.7	177.6	0.3	112.3	V493 C494	V493-R497 WeakPolarHBondContact O-CB 3.41Å; V493-R497 PolarHBondContact O-N 3.49Å; C494-R497 PolarHBondContact O-N 3.4Å
498	N	57	Low	58.5	Low	105 Å²	105	124.1 Å²	124.1	56%	0.561	66%	0.657	S	S	*	*	H	α-helix	trans	-74.9	-42.7	169	-75.6	-5.9	0	0	0	112.1	C494 W496 K500 K501	C494-N498 WeakPolarHBondContact O-CB 3.47Å; C494-N498 PolarHBondContact O-N 3.43Å; W496-N498 VanDerWaalsContact C-N 3.29Å; W496-N498 PolarHBondContact O-N 3.08Å; N498-K500 VanDerWaalsContact C-N 3.27Å; N498-K500 PolarHBondContact O-N 2.81Å; N498-K501 WeakPolarHBondContact O-CB 3.39Å; N498-K501 PolarHBondContact O-N 2.86Å
499	K	56.4	Low	56	Low	146 Å²	146	126.1 Å²	126.1	64%	0.635	67%	0.667	S	S	*	*	H	α-helix	trans	-59.2	-37.2	173.1	-92.8	-165.7	169.2	-171.3	0	112.6	H495 W496 K501 S502	H495-K499 PolarHBondContact O-N 3.08Å; W496-K499 PolarHBondContact O-N 3.32Å; K499-K501 PolarHBondContact O-N 3.29Å; K499-S502 PolarHBondContact O-N 3.48Å; K499-S502 VanDerWaalsContact O-N 3.17Å
500	K	50.4	Low	54	Low	191 Å²	191	127.7 Å²	127.7	83%	0.83	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-4.6	176.1	-133.3	179.3	-175.3	-175.8	0	114.3	W496 N498	W496-K500 WeakPolarHBondContact O-CB 3.38Å; W496-K500 PolarHBondContact O-N 3.49Å; N498-K500 VanDerWaalsContact C-N 3.27Å; N498-K500 PolarHBondContact O-N 2.81Å
501	K	49.5	Very low	51.3	Low	164 Å²	164	131.9 Å²	131.9	71%	0.713	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-5.5	171.8	-74	-178.2	171	-171.4	0	113.9	N498 K499	N498-K501 WeakPolarHBondContact O-CB 3.39Å; N498-K501 PolarHBondContact O-N 2.86Å; K499-K501 PolarHBondContact O-N 3.29Å
502	S	46.3	Very low	48.8	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	71%	0.707	S	S	*	*	S	Bend	trans	-112.8	24	-179.2	-61.8	0	0	0	0	113.1	K499	K499-S502 PolarHBondContact O-N 3.48Å; K499-S502 VanDerWaalsContact O-N 3.17Å
503	A	44.5	Very low	46.3	Very low	77 Å²	77	142.5 Å²	142.5	64%	0.636	71%	0.712	S	S	*	*	S	Bend	trans	-124.7	46.6	-179.7	0	0	0	0	0	111.4
504	E	40.1	Very low	44.1	Very low	191 Å²	191	149.3 Å²	149.3	89%	0.893	73%	0.728	S	S	*	*	S	Bend	trans	-157.4	127.5	170.3	-145.8	76.1	-109.8	0	0	107.7
505	G	32.7	Very low	42.5	Very low	75 Å²	75	152 Å²	152	77%	0.773	74%	0.742	S	S	*	*			trans	109.4	73.6	170.2	0	0	0	0	0	118.9
506	S	31	Very low	41.3	Very low	103 Å²	103	152.7 Å²	152.7	72%	0.72	76%	0.755	S	S	*	*			trans	-0.5	136	140.6	-170.9	0	0	0	0	121.1
507	Y	30.8	Very low	39.8	Very low	205 Å²	205	154.9 Å²	154.9	80%	0.804	76%	0.763	S	S	*	*			trans	29.9	129.9	145.7	-66.3	-100.5	0	0	0	119.5
508	D	28.7	Very low	38	Very low	146 Å²	146	157.7 Å²	157.7	78%	0.781	77%	0.774	S	S	*	*				-170	178	52.2	-115.4	-36.3	0	0	0	113.9
509	I	31.2	Very low	36.9	Very low	156 Å²	156	162.7 Å²	162.7	80%	0.8	79%	0.791	S	S	*	*			trans	-99.1	163.6	-178.2	-71.7	168.6	0	0	0	110.2
510	P	42.4	Very low	36	Very low	111 Å²	111	161 Å²	161	72%	0.721	80%	0.797	S	S	*	*			cis	-132.5	-176	4.6	26.3	-1.3	0	0	0	117.4
511	Y	27.7	Very low	35.2	Very low	179 Å²	179	160 Å²	160	70%	0.702	80%	0.797	S	S	*	*			trans	77.2	125.8	148.1	-153.7	-101	0	0	0	118.3
512	W	29.9	Very low	34.3	Very low	232 Å²	232	162.2 Å²	162.2	88%	0.879	81%	0.807	S	S	*	*				-175.1	164.5	128.2	-96.6	108.6	0	0	0	111.6
513	D	27.1	Very low	34	Very low	124 Å²	124	165.8 Å²	165.8	66%	0.663	81%	0.812	S	S	*	*			trans	-83.4	157.3	-159	-168.2	11.6	0	0	0	115	T515	D513-T515 PolarHBondContact O-N 2.84Å
514	R	32.9	Very low	33.3	Very low	235 Å²	235	170.4 Å²	170.4	89%	0.887	83%	0.825	S	S	*	*			trans	-85.7	89.7	179.7	-95.1	-171.5	164.7	-160.3	-0.3	112.1
515	T	38.2	Very low	32.8	Very low	123 Å²	123	169.2 Å²	169.2	76%	0.755	82%	0.824	S	S	*	*			trans	-142.7	166.1	149.3	46.5	0	0	0	0	111.5	D513	D513-T515 PolarHBondContact O-N 2.84Å
516	V	39.5	Very low	32.7	Very low	136 Å²	136	171.8 Å²	171.8	82%	0.824	83%	0.827	S	S	*	*	S	Bend	trans	74.7	47.3	171.9	-152.2	0	0	0	0	117.7
517	W	32.4	Very low	32.6	Very low	255 Å²	255	172.5 Å²	172.5	97%	0.966	83%	0.832	S	S	*	*	S	Bend	trans	-128	-4.4	153	-154.7	1.1	0	0	0	115.3
518	W	30.1	Very low	32.4	Very low	246 Å²	246	172.8 Å²	172.8	93%	0.932	84%	0.837	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	15.7	-177.8	-132.1	-57.6	0	0	0	116
519	K	33.3	Very low	32.2	Very low	210 Å²	210	174.8 Å²	174.8	91%	0.913	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	11.5	-177.2	-103.9	-174.7	177.9	-177.8	0	116
520	S	37.5	Very low	31.9	Very low	111 Å²	111	176.1 Å²	176.1	78%	0.776	85%	0.849	S	S	*	*	S	Bend	trans	-139.6	43.1	179.2	-143.3	0	0	0	0	114.4
521	M	32.6	Very low	31.1	Very low	169 Å²	169	179.7 Å²	179.7	83%	0.833	86%	0.856	S	S	*	*	S	Bend	trans	-154.4	58.1	166.4	-153.5	155	-84	0	0	112.7
522	K	31.6	Very low	31	Very low	211 Å²	211	177.7 Å²	177.7	92%	0.917	86%	0.863	S	S	*	*			trans	-149.2	57.3	167.1	-102.6	-170	-178.3	-176.3	0	111.8
523	Q	39.5	Very low	30.9	Very low	186 Å²	186	175.9 Å²	175.9	87%	0.869	86%	0.864	S	S	*	*			trans	-131.9	148.1	151.7	-80.3	-172	-23.6	0	0	106.8
524	L	29.6	Very low	30.8	Very low	174 Å²	174	177.6 Å²	177.6	91%	0.911	87%	0.873	S	S	*	*	S	Bend	trans	75.3	80	-167.8	-56	157.9	0	0	0	114.9
525	L	29.7	Very low	30.6	Very low	166 Å²	166	171.8 Å²	171.8	87%	0.869	87%	0.869	S	S	*	*				177.9	128	126	-94.4	166.5	0	0	0	109.1
526	P	30.4	Very low	30.1	Very low	129 Å²	129	171.9 Å²	171.9	84%	0.838	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-85.5	122.4	178.6	31.2	-29.7	0	0	0	111.7
527	S	29.1	Very low	29.5	Very low	118 Å²	118	176.8 Å²	176.8	83%	0.825	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-90.2	132	169.4	52	0	0	0	0	110.8
528	K	26.3	Very low	29.1	Very low	212 Å²	212	175 Å²	175	92%	0.922	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-65.3	151.4	176.3	-133.3	177	-176.4	-176.7	0	111.2
529	M	26	Very low	29	Very low	188 Å²	188	168.3 Å²	168.3	93%	0.926	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-64.5	146.4	177.7	-67	166.2	160.2	0	0	112
530	M	25	Very low	28.8	Very low	184 Å²	184	164.8 Å²	164.8	91%	0.906	85%	0.854	S	S	*	*			trans	-120.9	134.5	149.2	-174.7	133.8	95.4	0	0	107
531	E	25.5	Very low	28.8	Very low	186 Å²	186	165 Å²	165	87%	0.869	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-71.4	147.2	178	-70	160.7	131.6	0	0	110.8
532	T	25	Very low	28.5	Very low	137 Å²	137	165.9 Å²	165.9	84%	0.84	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-88.2	125.9	171.1	-4.2	0	0	0	0	108.6
533	E	27	Very low	28.4	Very low	194 Å²	194	161.9 Å²	161.9	91%	0.907	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-90.4	142.7	157	-92.1	-172	146.3	0	0	109.9
534	D	26.7	Very low	27.9	Very low	159 Å²	159	158 Å²	158	85%	0.85	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-72.3	137.5	-174.4	-73.8	-57.5	0	0	0	113.2
535	S	28.4	Very low	27.8	Very low	114 Å²	114	160.2 Å²	160.2	80%	0.797	84%	0.838	S	S	*	*			trans	-110.1	97.7	162.3	67.8	0	0	0	0	110.2	R537	S535-R537 PolarHBondContact O-N 3.11Å
536	V	26.9	Very low	27.8	Very low	125 Å²	125	159.9 Å²	159.9	76%	0.758	84%	0.836	S	S	*	*			trans	-66.5	127.2	172.7	176.1	0	0	0	0	110
537	R	26.5	Very low	27.6	Very low	238 Å²	238	158.7 Å²	158.7	90%	0.898	84%	0.837	S	S	*	*			trans	-129.6	130.9	159	-83.7	-170	176.4	178.3	0.1	109.9	S535	S535-R537 PolarHBondContact O-N 3.11Å
538	Y	25.5	Very low	27.6	Very low	217 Å²	217	156.4 Å²	156.4	85%	0.851	83%	0.832	S	S	*	*			trans	-69.2	144	168.1	-83.2	-107.8	0	0	0	111
539	S	26.8	Very low	27.9	Very low	106 Å²	106	158.3 Å²	158.3	74%	0.741	83%	0.834	S	S	*	*				-179.6	113.1	122.6	-92.5	0	0	0	0	112.6
540	T	30.3	Very low	28	Very low	136 Å²	136	154.9 Å²	154.9	83%	0.834	83%	0.828	S	S	*	*			trans	44.7	140.6	142.7	24.1	0	0	0	0	123.5
541	P	36.9	Very low	28.3	Very low	115 Å²	115	150.1 Å²	150.1	75%	0.747	82%	0.818	S	S	*	*			trans	-107.8	148.8	178.1	39.5	-31.4	0	0	0	115.3
542	E	26.9	Very low	28.5	Very low	189 Å²	189	147.7 Å²	147.7	88%	0.883	82%	0.816	S	S	*	*			trans	-133.8	114.2	151.8	-71.7	-169.2	130.5	0	0	107.2
543	V	29.2	Very low	29.6	Very low	127 Å²	127	146.5 Å²	146.5	77%	0.77	81%	0.81	S	S	*	*				60	92.9	80.9	-176.1	0	0	0	0	114
544	S	28.4	Very low	29.7	Very low	105 Å²	105	143 Å²	143	73%	0.734	81%	0.808	S	S	*	*			trans	175.1	110.5	137.5	-84.3	0	0	0	0	110.4
545	R	28.2	Very low	29.8	Very low	220 Å²	220	141.8 Å²	141.8	83%	0.83	80%	0.8	S	S	*	*				81.8	105.5	88.8	-80.8	-176.1	173.1	166.3	0.4	116
546	L	28.2	Very low	29.8	Very low	158 Å²	158	144.7 Å²	144.7	83%	0.827	80%	0.801	S	S	*	*				72.1	111.8	128.4	-70.7	162.3	0	0	0	122.4
547	A	28	Very low	30	Very low	105 Å²	105	142.7 Å²	142.7	87%	0.868	80%	0.797	S	S	*	*				98.6	136	115.7	0	0	0	0	0	121.9
548	G	27.9	Very low	30.4	Very low	70 Å²	70	139 Å²	139	72%	0.722	79%	0.79	S	S	*	*			trans	132.9	88.2	172.2	0	0	0	0	0	111.9
549	R	32.4	Very low	31.3	Very low	252 Å²	252	134.9 Å²	134.9	95%	0.951	79%	0.79	S	S	*	*				50.3	130.2	78.4	-72.6	-171.2	174.1	-167.1	-0.9	113
550	S	29	Very low	31.5	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	79%	0.785	S	S	*	*			cis	-165.3	177.4	8.6	-159.3	0	0	0	0	113.1
551	A	30	Very low	31.6	Very low	85 Å²	85	135.5 Å²	135.5	70%	0.702	79%	0.785	S	S	*	*			trans	77.1	118.9	167.8	0	0	0	0	0	118.6
552	V	30.2	Very low	31.3	Very low	135 Å²	135	140.6 Å²	140.6	82%	0.818	79%	0.791	S	S	*	*			cis	85.9	141.7	34.7	178.2	0	0	0	0	112.5
553	P	47.5	Very low	31.6	Very low	111 Å²	111	135.4 Å²	135.4	72%	0.721	78%	0.781	S	S	*	*			cis	-130.4	172	5.9	29.3	-7.7	0	0	0	117.9
554	S	29.6	Very low	32	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	79%	0.785	S	S	*	*			trans	-156.4	159	134.9	-163.9	0	0	0	0	111.1
555	L	28.3	Very low	32.8	Very low	132 Å²	132	139.1 Å²	139.1	69%	0.691	79%	0.789	S	S	*	*			trans	-113.5	158.2	-168.7	-90.2	101.5	0	0	0	114.9
556	H	30	Very low	33	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.815	79%	0.792	S	S	*	*			trans	67.3	142.5	156.7	-71.9	-56.2	0	0	0	119
557	A	30.2	Very low	33.3	Very low	83 Å²	83	136.1 Å²	136.1	69%	0.686	79%	0.794	S	S	*	*			cis	-160.3	158.2	-9	0	0	0	0	0	111.9
558	E	36	Very low	33.3	Very low	159 Å²	159	136.8 Å²	136.8	74%	0.743	79%	0.793	S	S	*	*			trans	27.9	139	151.7	-71.2	-63.5	127.4	0	0	122.4
559	P	42.6	Very low	33.5	Very low	131 Å²	131	136.6 Å²	136.6	85%	0.851	79%	0.79	S	S	*	*				-142.7	163.3	102.7	39.9	-27.8	0	0	0	116.4
560	A	32.6	Very low	33.5	Very low	78 Å²	78	130.5 Å²	130.5	65%	0.645	78%	0.781	S	S	*	*			trans	-114.1	147.3	-172.9	0	0	0	0	0	116.4
561	E	32.1	Very low	33.5	Very low	178 Å²	178	130.9 Å²	130.9	83%	0.832	78%	0.779	S	S	*	*			trans	60.1	135.4	140.5	-70.1	-170.7	138	0	0	126.8
562	Y	29.6	Very low	33.7	Very low	221 Å²	221	132.3 Å²	132.3	87%	0.867	78%	0.779	S	S	*	*			trans	69.7	146.6	147.4	-104.7	-121.1	0	0	0	120
563	A	33	Very low	33.7	Very low	81 Å²	81	133.9 Å²	133.9	67%	0.669	78%	0.782	S	S	*	*			cis	-152.9	166.5	11.2	0	0	0	0	0	113.6
564	Q	38.8	Very low	32.8	Very low	183 Å²	183	132.4 Å²	132.4	86%	0.855	79%	0.786	S	S	*	*			trans	-111.1	158.6	165.6	-68.7	-178.1	-43.3	0	0	111.7
565	P	45.1	Very low	33	Very low	126 Å²	126	131.1 Å²	131.1	82%	0.818	78%	0.783	S	S	*	*			trans	-95.6	156.5	166.2	35.7	-30.7	0	0	0	113.9
566	L	32.9	Very low	33.3	Very low	172 Å²	172	136.5 Å²	136.5	90%	0.901	79%	0.794	S	S	*	*			trans	-89.3	162.8	-170.3	-69.7	94.4	0	0	0	115.5
567	V	33.1	Very low	33.6	Very low	144 Å²	144	132.9 Å²	132.9	87%	0.873	79%	0.789	S	S	*	*			trans	-111.2	149.5	165.5	177.8	0	0	0	0	109.7
568	S	28.8	Very low	33.8	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	80%	0.796	S	S	*	*			trans	-129.5	152.1	172.3	-161.8	0	0	0	0	111
569	G	31.4	Very low	33.5	Very low	65 Å²	65	136.4 Å²	136.4	67%	0.67	80%	0.798	S	S	*	*			trans	-83.4	-160.4	-175.2	0	0	0	0	0	114.7
570	V	32.1	Very low	33.2	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	80%	0.797	S	S	*	*			cis	-164.3	148.7	24.5	168.1	0	0	0	0	110.4
571	T	29.7	Very low	33.8	Very low	123 Å²	123	140 Å²	140	76%	0.755	80%	0.796	S	S	*	*			trans	60.3	151.9	162	53.9	0	0	0	0	120.8
572	T	33.5	Very low	34	Very low	114 Å²	114	139.1 Å²	139.1	70%	0.699	80%	0.797	S	S	*	*			cis	-166.8	160	-6.8	21.2	0	0	0	0	113.4
573	L	30.2	Very low	34.4	Very low	169 Å²	169	138 Å²	138	89%	0.885	80%	0.799	S	S	*	*			trans	82.5	107.4	145.3	-80.2	158.8	0	0	0	123.4
574	G	28.8	Very low	34.5	Very low	79 Å²	79	137.6 Å²	137.6	81%	0.814	80%	0.803	S	S	*	*			trans	98.1	138.3	140.2	0	0	0	0	0	118.3
575	A	34	Very low	35	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	80%	0.802	S	S	*	*			cis	-164	150.2	-12.5	0	0	0	0	0	111.5
576	R	35.1	Very low	34.7	Very low	244 Å²	244	137.1 Å²	137.1	92%	0.921	80%	0.801	S	S	*	*			trans	45.6	125.1	161.1	-67.3	177.1	171.5	162.5	-3.6	119.4
577	S	37	Very low	35.3	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	80%	0.798	S	S	*	*			cis	75.9	110.5	46.4	-172.2	0	0	0	0	116.5
578	T	33.3	Very low	35.2	Very low	134 Å²	134	131.4 Å²	131.4	82%	0.822	79%	0.789	S	S	*	*			trans	-157.5	115.2	134.3	-4.6	0	0	0	0	112.5
579	F	30.6	Very low	35.6	Very low	182 Å²	182	136.8 Å²	136.8	80%	0.798	79%	0.793	S	S	*	*			trans	38.9	143.8	141.6	-84.3	-104.7	0	0	0	121.9
580	K	36	Very low	35.8	Very low	189 Å²	189	139 Å²	139	82%	0.822	80%	0.799	S	S	*	*			cis	-159.3	156.3	28.6	-171.1	171	-177.7	-170.2	0	112.6
581	P	45	Very low	35.8	Very low	95 Å²	95	140.3 Å²	140.3	62%	0.617	80%	0.801	S	S	*	*			trans	-113	163	-179.5	41.5	-33.8	0	0	0	116.7
582	D	35.4	Very low	36.7	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	79%	0.793	S	S	*	*			trans	52	161.3	139	-66.2	-16.6	0	0	0	126.3
583	E	39.4	Very low	36.8	Very low	198 Å²	198	139.9 Å²	139.9	93%	0.925	80%	0.795	S	S	*	*			trans	-79.5	163.2	-162	-54.6	171.1	136.5	0	0	116.5
584	G	35.2	Very low	37	Very low	72 Å²	72	138.6 Å²	138.6	74%	0.742	79%	0.788	S	S	*	*			trans	-177.4	148.6	166.6	0	0	0	0	0	112.7
585	P	49.5	Very low	37.4	Very low	130 Å²	130	145.7 Å²	145.7	84%	0.844	79%	0.792	S	S	*	*			trans	-108.4	167.2	-144.1	39.9	-36.3	0	0	0	118.6
586	E	36.8	Very low	37.5	Very low	169 Å²	169	148.9 Å²	148.9	79%	0.79	80%	0.796	S	S	*	*			trans	-3	145.7	153	-72	-68.4	151.6	0	0	119
587	P	46.6	Very low	38	Very low	129 Å²	129	141.7 Å²	141.7	84%	0.838	79%	0.789	S	S	*	*				-154.3	169.3	56.7	41.5	-21.4	0	0	0	119.6
588	G	31.7	Very low	38.7	Very low	67 Å²	67	142.3 Å²	142.3	69%	0.691	79%	0.79	S	S	*	*			trans	157.9	114.7	146.7	0	0	0	0	0	120.5
589	Y	36.3	Very low	38.9	Very low	231 Å²	231	143.5 Å²	143.5	91%	0.906	79%	0.79	S	S	*	*			trans	-33.8	145.8	157.2	-99.2	-115.8	0	0	0	114.5
590	S	35.2	Very low	39.4	Very low	113 Å²	113	140 Å²	140	79%	0.79	79%	0.786	S	S	*	*				-175.5	162.1	58.7	46.2	0	0	0	0	114.8
591	D	31.6	Very low	40	Very low	151 Å²	151	136.2 Å²	136.2	81%	0.807	78%	0.78	S	S	*	*			trans	-67.5	-176.2	172.1	-130.6	0.6	0	0	0	114.3
592	P	49.9	Very low	39.8	Very low	91 Å²	91	138.8 Å²	138.8	59%	0.591	79%	0.789	S	S	*	*			cis	-136.5	-176.3	-19.7	29.4	-6.3	0	0	0	115.8
593	D	35.3	Very low	40	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	78%	0.784	S	S	*	*			trans	85.1	131	138	-86.2	-25.4	0	0	0	125.7
594	L	35	Very low	40.1	Very low	142 Å²	142	138.2 Å²	138.2	74%	0.743	78%	0.781	S	S	*	*			trans	58.9	113.7	139.8	-68	161.9	0	0	0	121.4
595	Y	35.9	Very low	40.2	Very low	227 Å²	227	142.8 Å²	142.8	89%	0.89	78%	0.783	S	S	*	*				-168	123.8	106.4	-111.4	-76.6	0	0	0	112.4
596	D	37.2	Very low	39.9	Very low	163 Å²	163	141.4 Å²	141.4	87%	0.872	77%	0.774	S	S	*	*			trans	-86.5	127.2	161.7	-92.9	-49.1	0	0	0	110
597	A	44.3	Very low	40.4	Very low	94 Å²	94	144.7 Å²	144.7	78%	0.777	78%	0.781	S	S	*	*			trans	-173.8	147.8	144.6	0	0	0	0	0	112
598	P	52.2	Low	40.1	Very low	114 Å²	114	143.1 Å²	143.1	74%	0.74	78%	0.779	S	S	*	*			trans	-99.1	-158.9	-171.9	40.7	-37.4	0	0	0	113.9
599	I	37.9	Very low	40.6	Very low	159 Å²	159	149.1 Å²	149.1	82%	0.815	79%	0.789	S	S	*	*			trans	107.1	139.4	171.6	-56.1	152.3	0	0	0	112.8
600	P	40	Very low	41.1	Very low	108 Å²	108	143.9 Å²	143.9	70%	0.701	78%	0.783	S	S	*	*			cis	-126.2	-163.8	-48.9	39.7	-18.2	0	0	0	110
601	P	50	Low	41.4	Very low	110 Å²	110	146.5 Å²	146.5	71%	0.714	79%	0.788	S	S	*	*			trans	-80	171.6	167.9	32.8	-34.9	0	0	0	113.4
602	D	41.2	Very low	42	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	78%	0.783	S	S	*	*			trans	80.2	72	170.7	-56.1	-24.1	0	0	0	119.1
603	V	39.7	Very low	42.1	Very low	126 Å²	126	146.4 Å²	146.4	76%	0.764	80%	0.798	S	S	*	*			trans	-135.1	116.8	144.1	-177.8	0	0	0	0	109.9
604	Y	40.4	Very low	42.5	Very low	220 Å²	220	145.3 Å²	145.3	86%	0.863	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.1	131.7	170.4	-101.4	-103.6	0	0	0	110.5
605	H	38.5	Very low	42.7	Very low	169 Å²	169	142 Å²	142	78%	0.782	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-85.3	125.6	164.3	-72	-70.5	0	0	0	110.1
606	P	43	Very low	43.1	Very low	100 Å²	100	135.7 Å²	135.7	65%	0.649	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72.3	163	167.9	32	-33.5	0	0	0	110.5
607	Y	46	Very low	43.1	Very low	238 Å²	238	137 Å²	137	93%	0.933	80%	0.797	S	S	*	*			trans	82.6	59.9	-174.2	-50.5	-68.6	0	0	0	116.9
608	A	40.6	Very low	42.9	Very low	96 Å²	96	142.8 Å²	142.8	79%	0.793	80%	0.8	S	S	*	*			trans	-146.6	113	141.6	0	0	0	0	0	108.9
609	E	43.3	Very low	42.3	Very low	193 Å²	193	142.1 Å²	142.1	90%	0.902	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.9	139.5	172.7	-73	-175.8	135.5	0	0	110.4
610	P	45.8	Very low	42.5	Very low	122 Å²	122	140.7 Å²	140.7	79%	0.792	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-76.7	130.1	177.8	30.5	-33.1	0	0	0	111.2
611	L	41.8	Very low	42.5	Very low	168 Å²	168	141 Å²	141	88%	0.88	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.8	142.3	170.1	-70.6	170	0	0	0	110.6
612	P	44.4	Very low	41.8	Very low	111 Å²	111	143.2 Å²	143.2	72%	0.721	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.7	154.5	-172.2	30.4	-36.1	0	0	0	113.1	S614	P612-S614 PolarHBondContact O-N 3.35Å
613	S	51.8	Low	41.6	Very low	129 Å²	129	142.3 Å²	142.3	90%	0.902	81%	0.809	S	S	*	*			trans	-69.6	104.8	172	55.1	0	0	0	0	111.8
614	S	43.2	Very low	41.4	Very low	114 Å²	114	141.9 Å²	141.9	80%	0.797	81%	0.807	S	S	*	*			trans	-106.4	145.5	163.4	54	0	0	0	0	110.7	P612	P612-S614 PolarHBondContact O-N 3.35Å
615	G	40.5	Very low	40.9	Very low	74 Å²	74	138.4 Å²	138.4	76%	0.763	80%	0.803	S	S	*	*			trans	-73.7	174.2	-170	0	0	0	0	0	115	E617	G615-E617 PolarHBondContact O-N 3.22Å; G615-E617 VanDerWaalsContact O-N 3.14Å
616	A	43.8	Very low	40.6	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	81%	0.807	S	S	*	*			trans	-61.5	113	-179.8	0	0	0	0	0	112.2
617	E	36.3	Very low	40	Very low	192 Å²	192	137.1 Å²	137.1	90%	0.897	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.5	122.8	170	-167	166.4	-146.6	0	0	109.3	G615	G615-E617 PolarHBondContact O-N 3.22Å; G615-E617 VanDerWaalsContact O-N 3.14Å
618	Y	40.1	Very low	39.2	Very low	214 Å²	214	131 Å²	131	84%	0.839	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-81.8	123.8	-178.5	-79.2	-99.1	0	0	0	110.7	T620	Y618-T620 PolarHBondContact O-N 3.36Å
619	A	39.4	Very low	38.6	Very low	100 Å²	100	135.7 Å²	135.7	83%	0.826	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.5	121.4	164.9	0	0	0	0	0	110.1
620	T	42.6	Very low	38.1	Very low	130 Å²	130	133.7 Å²	133.7	80%	0.798	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72.1	139.5	172.4	37.7	0	0	0	0	111	Y618	Y618-T620 PolarHBondContact O-N 3.36Å
621	P	40	Very low	37.6	Very low	113 Å²	113	133.6 Å²	133.6	73%	0.734	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.1	138.2	174.7	30.5	-33.3	0	0	0	110.9	V623	P621-V623 PolarHBondContact O-N 2.97Å
622	I	35.9	Very low	36.9	Very low	157 Å²	157	131 Å²	131	81%	0.805	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.4	116.6	169.2	-63.3	171.2	0	0	0	108.2	V624	I622-V624 HydrophobicContact CG2-CG2 4.22Å; I622-V624 PolarHBondContact O-N 3.14Å
623	V	36.1	Very low	36.2	Very low	129 Å²	129	135.9 Å²	135.9	78%	0.782	80%	0.804	S	S	*	*			trans	-78.9	115	167.6	178.6	0	0	0	0	107.9	P621	P621-V623 PolarHBondContact O-N 2.97Å
624	V	36.2	Very low	35.2	Very low	118 Å²	118	135.3 Å²	135.3	72%	0.715	80%	0.795	S	S	*	*			trans	-92.7	105	167.9	-173.7	0	0	0	0	107.4	I622	I622-V624 HydrophobicContact CG2-CG2 4.22Å; I622-V624 PolarHBondContact O-N 3.14Å
625	D	29.5	Very low	34.5	Very low	147 Å²	147	137.8 Å²	137.8	79%	0.786	80%	0.798	S	S	*	*			trans	-74.8	130.8	171.5	-168.3	4.5	0	0	0	109.4
626	M	33.1	Very low	34	Very low	176 Å²	176	140.1 Å²	140.1	87%	0.867	79%	0.793	S	S	*	*			trans	-134.7	59.3	-176.1	-154.4	171.4	-173.3	0	0	111	C628	M626-C628 PolarHBondContact O-N 3.41Å
627	G	29	Very low	33.2	Very low	66 Å²	66	144.4 Å²	144.4	68%	0.68	80%	0.795	S	S	*	*			trans	-77.8	97.2	173.4	0	0	0	0	0	114
628	C	29.2	Very low	32.9	Very low	108 Å²	108	141.5 Å²	141.5	73%	0.73	79%	0.79	S	S	*	*			trans	6	131.5	157	-59.7	0	0	0	0	121.4	M626	M626-C628 PolarHBondContact O-N 3.41Å
629	H	29.1	Very low	32.1	Very low	195 Å²	195	134.3 Å²	134.3	90%	0.903	78%	0.781	S	S	*	*			trans	-117.4	121.4	141.2	-84.5	-69.9	0	0	0	110.5
630	L	32.7	Very low	32.5	Very low	152 Å²	152	135.7 Å²	135.7	80%	0.796	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-103.1	144.2	166	-101.5	120.8	0	0	0	109.8
631	P	34	Very low	32	Very low	119 Å²	119	134.5 Å²	134.5	77%	0.773	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-86.6	136.4	166	33.3	-30.8	0	0	0	111.6
632	S	28.1	Very low	31.6	Very low	114 Å²	114	133.5 Å²	133.5	80%	0.797	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-66.6	144.5	-179.8	-51.1	0	0	0	0	114.2
633	K	29.5	Very low	31.3	Very low	214 Å²	214	133.4 Å²	133.4	93%	0.93	77%	0.774	S	S	*	*			trans	-149.3	144.6	138.9	-110.6	174.1	-171.9	179.6	0	110.9
634	V	30.9	Very low	31	Very low	117 Å²	117	133.4 Å²	133.4	71%	0.709	77%	0.77	S	S	*	*			trans	-101.6	139.7	-165.6	170.4	0	0	0	0	110.7
635	L	28.8	Very low	30.7	Very low	166 Å²	166	132.9 Å²	132.9	87%	0.869	77%	0.766	S	S	*	*			trans	-166.6	100.6	135.5	-124.5	109.2	0	0	0	114.2
636	N	29.2	Very low	30.5	Very low	122 Å²	122	136.2 Å²	136.2	65%	0.652	77%	0.768	S	S	*	*			trans	38.9	123.9	133.3	-74	2.6	0	0	0	124.8
637	F	27.1	Very low	30.3	Very low	184 Å²	184	131.6 Å²	131.6	81%	0.807	75%	0.75	S	S	*	*				114.3	127.1	117.4	-102.7	-54.2	0	0	0	122.2
638	V	29.7	Very low	30.3	Very low	131 Å²	131	135.5 Å²	135.5	79%	0.794	76%	0.755	S	S	*	*			trans	76.5	116.9	157.2	-168.8	0	0	0	0	119.5
639	G	25.2	Very low	30.2	Very low	63 Å²	63	136.1 Å²	136.1	65%	0.649	76%	0.761	S	S	*	*			trans	-98.8	-135.7	162.6	0	0	0	0	0	111.2
640	P	47.3	Very low	30.3	Very low	128 Å²	128	131.9 Å²	131.9	83%	0.831	75%	0.753	S	S	*	*			cis	-103.1	-161.8	-10.5	34.1	-15.9	0	0	0	109.9
641	S	32.2	Very low	30.1	Very low	105 Å²	105	133.7 Å²	133.7	73%	0.734	76%	0.758	S	S	*	*			cis	-147.6	-167.3	11.2	-45.6	0	0	0	0	108.7
642	S	30.8	Very low	30.1	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	76%	0.762	S	S	*	*			cis	-156.7	134.1	-0.1	46	0	0	0	0	109.6
643	L	30.1	Very low	30.3	Very low	154 Å²	154	132.1 Å²	132.1	81%	0.806	76%	0.761	S	S	*	*			trans	54.6	145.5	143.9	-47.5	170.6	0	0	0	119.6
644	L	28.7	Very low	30.3	Very low	130 Å²	130	125.4 Å²	125.4	68%	0.681	75%	0.753	S	S	*	*			cis	-166.7	133	-13.1	-108.9	173.9	0	0	0	106.5
645	T	29.8	Very low	30.4	Very low	106 Å²	106	125.6 Å²	125.6	65%	0.65	76%	0.76	S	S	*	*			trans	38.3	148.4	131.4	63.8	0	0	0	0	121.4
646	W	26.8	Very low	30.3	Very low	217 Å²	217	124 Å²	124	82%	0.822	76%	0.756	S	S	*	*			cis	-167.9	160.7	18.7	-139.2	25.2	0	0	0	113
647	T	28.4	Very low	30.4	Very low	80 Å²	80	128.3 Å²	128.3	49%	0.491	77%	0.765	S	S	.	*			trans	45.5	114	147.7	52.7	0	0	0	0	119.7
648	D	27.9	Very low	30.4	Very low	147 Å²	147	127.2 Å²	127.2	79%	0.786	77%	0.768	S	S	*	*				72.5	112.4	76.3	-71.5	-41.9	0	0	0	114.5
649	S	28.9	Very low	31	Very low	121 Å²	121	126.8 Å²	126.8	85%	0.846	77%	0.765	S	S	*	*				178.4	145.9	104.9	-76.8	0	0	0	0	112.4
650	S	29.8	Very low	31.8	Very low	106 Å²	106	130 Å²	130	74%	0.741	78%	0.775	S	S	*	*			trans	-80.4	149.9	171.5	46	0	0	0	0	111.8
651	Q	29.8	Very low	31	Very low	190 Å²	190	132.8 Å²	132.8	89%	0.888	77%	0.774	S	S	*	*				-178.6	156.7	115	-99.7	-177.5	9.1	0	0	115
652	S	33.9	Very low	30.9	Very low	124 Å²	124	135.4 Å²	135.4	87%	0.867	78%	0.78	S	S	*	*			trans	-57.3	146.6	170.3	174	0	0	0	0	114
653	G	30.6	Very low	31	Very low	76 Å²	76	134.7 Å²	134.7	78%	0.784	78%	0.779	S	S	*	*			trans	-177.1	116.2	165.2	0	0	0	0	0	110.5
654	G	30.2	Very low	31.1	Very low	74 Å²	74	135.5 Å²	135.5	76%	0.763	78%	0.784	S	S	*	*			trans	-105.8	164.2	-173.2	0	0	0	0	0	114.8
655	S	32.5	Very low	31.2	Very low	120 Å²	120	133.2 Å²	133.2	84%	0.839	79%	0.792	S	S	*	*			trans	80.6	155.4	159.6	-156.3	0	0	0	0	119.4
656	V	28.1	Very low	31.3	Very low	132 Å²	132	136.9 Å²	136.9	80%	0.8	80%	0.802	S	S	*	*			trans	94.3	132.5	165.1	-165.9	0	0	0	0	117.6
657	Y	30.4	Very low	31.5	Very low	214 Å²	214	133 Å²	133	84%	0.839	80%	0.803	S	S	*	*			trans	-67.9	158.5	-175.2	-66.4	-105	0	0	0	114.1
658	D	28	Very low	31.5	Very low	160 Å²	160	135.7 Å²	135.7	86%	0.856	82%	0.819	S	S	*	*				-164	146.8	113.3	-120.5	-22.1	0	0	0	114.4
659	T	41.9	Very low	32.5	Very low	122 Å²	122	133.8 Å²	133.8	75%	0.748	81%	0.814	S	S	*	*			trans	-128.3	134.5	163.3	41.8	0	0	0	0	109.8	K661	T659-K661 PolarHBondContact O-N 3.19Å
660	P	42.3	Very low	32.6	Very low	130 Å²	130	135.1 Å²	135.1	84%	0.844	82%	0.818	S	S	*	*			trans	-83.9	117.3	-174.7	30.8	-33.2	0	0	0	114.1
661	K	30.7	Very low	32.8	Very low	188 Å²	188	138 Å²	138	82%	0.817	82%	0.819	S	S	*	*			trans	5.9	134.2	146.2	-64.4	172.8	178.2	171.2	0	120.2	T659	T659-K661 PolarHBondContact O-N 3.19Å
662	N	30.1	Very low	32.9	Very low	160 Å²	160	135 Å²	135	86%	0.856	81%	0.81	S	S	*	*				171.8	148.5	116.2	-85.3	-22.2	0	0	0	110
663	A	32.1	Very low	32.8	Very low	77 Å²	77	137.1 Å²	137.1	64%	0.636	81%	0.81	S	S	*	*			cis	-164	148.8	-20.8	0	0	0	0	0	110.1
664	N	31.5	Very low	32.7	Very low	172 Å²	172	139.3 Å²	139.3	92%	0.92	81%	0.809	S	S	*	*			trans	56.1	126.2	158.6	-59.2	-7.6	0	0	0	121.6
665	G	31.4	Very low	32.6	Very low	82 Å²	82	146.8 Å²	146.8	85%	0.845	82%	0.816	S	S	*	*			trans	173.1	48.9	173.7	0	0	0	0	0	117.1
666	Q	31.1	Very low	32.5	Very low	183 Å²	183	149.7 Å²	149.7	86%	0.855	82%	0.816	S	S	*	*			trans	-49.1	120.8	-176.3	-178.3	176.1	-3.1	0	0	117.9
667	T	30.7	Very low	32.6	Very low	136 Å²	136	150 Å²	150	83%	0.834	82%	0.817	S	S	*	*			trans	167	157.6	131.3	32.8	0	0	0	0	114
668	T	30.2	Very low	32.7	Very low	135 Å²	135	145.5 Å²	145.5	83%	0.828	82%	0.815	S	S	*	*			trans	-125.2	-176.7	-175.5	47.1	0	0	0	0	110.9
669	P	47.3	Very low	32.7	Very low	107 Å²	107	147.3 Å²	147.3	70%	0.695	82%	0.818	S	S	*	*				-132.8	163	-51.9	37	-22.7	0	0	0	113.2
670	T	31.9	Very low	32.5	Very low	150 Å²	150	147.3 Å²	147.3	92%	0.92	82%	0.823	S	S	*	*			trans	-168	167.6	144.8	1.9	0	0	0	0	113.6
671	Q	33.5	Very low	32.3	Very low	165 Å²	165	147.6 Å²	147.6	77%	0.771	82%	0.822	S	S	*	*			trans	-85	160.5	-161.6	-73.4	169.7	-91.6	0	0	117.3
672	D	31.5	Very low	33	Very low	129 Å²	129	144 Å²	144	69%	0.69	82%	0.818	S	S	*	*			trans	31.8	128.1	140.6	-55	-43.4	0	0	0	120.6
673	L	32	Very low	33.9	Very low	167 Å²	167	142.5 Å²	142.5	87%	0.874	82%	0.817	S	S	*	*				-173.1	145.1	106	-98.3	162.3	0	0	0	114.3
674	T	28.9	Very low	34.3	Very low	123 Å²	123	148.4 Å²	148.4	76%	0.755	83%	0.829	S	S	*	*			trans	-64.1	153.4	177.2	-39.8	0	0	0	0	113.2
675	Y	27.9	Very low	35.3	Very low	231 Å²	231	146.4 Å²	146.4	91%	0.906	83%	0.825	S	S	*	*			trans	-130.2	148.2	166.1	-123.7	-92.9	0	0	0	113.9
676	Q	31.2	Very low	36	Very low	181 Å²	181	147.7 Å²	147.7	85%	0.846	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-102.6	168.2	-162.6	-68.8	-178.4	-23.7	0	0	115
677	V	28.8	Very low	36.6	Very low	137 Å²	137	146.3 Å²	146.3	83%	0.83	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-80.4	138.6	174.4	179.6	0	0	0	0	111.3
678	P	32.7	Very low	36.9	Very low	121 Å²	121	146.9 Å²	146.9	79%	0.786	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-84.9	144.8	179.3	-7.3	25.6	0	0	0	114.3
679	Q	29.3	Very low	37.3	Very low	197 Å²	197	147.5 Å²	147.5	92%	0.921	87%	0.866	S	S	*	*			trans	-114.4	149.6	161.2	-72.3	-172.2	-12.1	0	0	110.5
680	S	36.3	Very low	36.7	Very low	123 Å²	123	149.7 Å²	149.7	86%	0.86	88%	0.875	S	S	*	*			trans	-107	142.6	-177.3	52.3	0	0	0	0	113.1
681	V	39.9	Very low	37	Very low	136 Å²	136	149.7 Å²	149.7	82%	0.824	87%	0.873	S	S	*	*			trans	-113.3	143	-176	177.5	0	0	0	0	110.1
682	P	43.6	Very low	37.2	Very low	111 Å²	111	148.8 Å²	148.8	72%	0.721	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-81.8	159.7	-179.6	33.2	-36.4	0	0	0	114
683	P	50.7	Low	37.6	Very low	130 Å²	130	150.1 Å²	150.1	84%	0.844	89%	0.892	S	S	*	*	P	Polyproline II helix	trans	-84.3	152.2	-174.3	33.7	-35.7	0	0	0	114.4
684	K	40.4	Very low	38	Very low	201 Å²	201	148.9 Å²	148.9	87%	0.874	89%	0.893	S	S	*	*	P	Polyproline II helix	trans	-94.3	155.4	167.7	-96.4	-177.1	174.4	178.9	0	111.7
685	P	51.3	Low	38.7	Very low	129 Å²	129	150.8 Å²	150.8	84%	0.838	90%	0.904	S	S	*	*	P	Polyproline II helix	trans	-83.5	166.3	-176.8	35.3	-36.4	0	0	0	113.3
686	A	47.6	Very low	39.6	Very low	109 Å²	109	144.2 Å²	144.2	90%	0.901	90%	0.904	S	S	*	*			trans	-117.8	140.2	169	0	0	0	0	0	109.9
687	G	43.2	Very low	40.3	Very low	155 Å²	155	140.8 Å²	140.8	100%	1.598	91%	0.909	S	S	*	*			trans	125.7	0	-175.1	0	0	0	0	0	111.1

Retrieved 687 of 687 residues in 1234.3 ms (Link to these results)

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