A0A087Y1K1_POEFO Loading...

2',5'-phosphodiesterase 12

AlphaFold DB , UniProt , Accession A0A087Y1K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 598 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	F	28.3	Very low	26.5	Very low	245 Å²	245	142.8 Å²	142.8	100%	1.075	82%	0.815	S	S	*	*				0	114.2	0	-123.5	-99.7	0	0	0	107.1
2	M	25.9	Very low	26.3	Very low	162 Å²	162	143.7 Å²	143.7	80%	0.798	81%	0.814	S	S	*	*			trans	52.2	136.5	166.4	-56.2	-151.8	-124.7	0	0	118.5
3	L	28.1	Very low	26.1	Very low	154 Å²	154	144.7 Å²	144.7	81%	0.806	81%	0.814	S	S	*	*			cis	-154.5	129	21.9	-96.5	112.6	0	0	0	105.2
4	K	26.6	Very low	26.3	Very low	174 Å²	174	142 Å²	142	76%	0.757	81%	0.806	S	S	*	*				62.4	116.6	68.4	-90.1	-168.3	178.8	-171.2	0	117.8
5	H	29.6	Very low	26.9	Very low	156 Å²	156	148.8 Å²	148.8	72%	0.722	81%	0.814	S	S	*	*			trans	77.8	136.7	153.7	-63.1	-59.1	0	0	0	117.8
6	L	27.4	Very low	26.8	Very low	160 Å²	160	146.9 Å²	146.9	84%	0.838	81%	0.813	S	S	*	*			cis	-156.7	156.9	32.8	-102.6	120	0	0	0	114.6
7	S	26.8	Very low	26.8	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	81%	0.813	S	S	*	*			trans	59	109	141.7	-166	0	0	0	0	121.2
8	A	26.5	Very low	26.9	Very low	96 Å²	96	148.5 Å²	148.5	79%	0.793	82%	0.816	S	S	*	*				63.3	104.9	63.4	0	0	0	0	0	116.1
9	A	25.2	Very low	27.1	Very low	108 Å²	108	146.1 Å²	146.1	89%	0.893	82%	0.818	S	S	*	*			trans	-170.6	125.5	136.6	0	0	0	0	0	111.2
10	C	23.6	Very low	27	Very low	132 Å²	132	143.6 Å²	143.6	89%	0.892	81%	0.811	S	S	*	*			trans	-64.4	156.6	173.5	-66.9	0	0	0	0	113.3
11	A	24	Very low	27.1	Very low	83 Å²	83	140 Å²	140	69%	0.686	79%	0.794	S	S	*	*				150.2	127.7	106.9	0	0	0	0	0	114.5
12	L	23.6	Very low	27.2	Very low	153 Å²	153	134.1 Å²	134.1	80%	0.801	78%	0.781	S	S	*	*			trans	80.5	97.9	142	-61.5	159.5	0	0	0	121.2
13	L	24.1	Very low	27.4	Very low	157 Å²	157	136.2 Å²	136.2	82%	0.822	78%	0.78	S	S	*	*				51.3	161.5	129.3	-70.9	163.1	0	0	0	121.2
14	P	28.8	Very low	27.5	Very low	107 Å²	107	132.3 Å²	132.3	70%	0.695	76%	0.763	S	S	*	*			cis	-131.4	175.1	-11.8	32	-10.6	0	0	0	114.6	C16	P14-C16 PolarHBondContact O-N 3.49Å
15	R	35.4	Very low	27.8	Very low	244 Å²	244	131 Å²	131	92%	0.921	76%	0.757	S	S	*	*			trans	-48.3	128.8	164.3	-73.3	170	162.9	174.6	-6.2	112.6
16	C	25.3	Very low	28.3	Very low	118 Å²	118	125.5 Å²	125.5	80%	0.797	74%	0.736	S	S	*	*			trans	-131.5	102.9	157.3	-103	0	0	0	0	107.2	P14	P14-C16 PolarHBondContact O-N 3.49Å
17	L	26.4	Very low	28.7	Very low	155 Å²	155	127.1 Å²	127.1	81%	0.812	73%	0.731	S	S	*	*				78.2	105.5	89.7	-77.4	171.3	0	0	0	113.3
18	L	28.6	Very low	29	Very low	168 Å²	168	124.6 Å²	124.6	88%	0.88	72%	0.717	S	S	*	*			trans	-23.6	137.4	162.2	-73.6	141.3	0	0	0	116.8
19	A	31.5	Very low	29.6	Very low	103 Å²	103	122.8 Å²	122.8	85%	0.851	70%	0.698	S	S	*	*			trans	-4.4	120.6	158.1	0	0	0	0	0	117.6
20	S	25.2	Very low	30.5	Very low	96 Å²	96	124.5 Å²	124.5	67%	0.671	68%	0.682	S	S	*	*			trans	-89	137.9	170.6	46.5	0	0	0	0	112.5
21	S	28.1	Very low	31.2	Very low	67 Å²	67	125.7 Å²	125.7	47%	0.469	68%	0.678	S	S	.	*			trans	-67.8	170.4	179	77.7	0	0	0	0	114.2	R23 T24	S21-R23 PolarHBondContact O-N 3.42Å; S21-T24 PolarHBondContact O-N 3.2Å; S21-T24 PolarHBondContact O-OG1 3.05Å
22	P	30.6	Very low	32	Very low	122 Å²	122	128.6 Å²	128.6	79%	0.792	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-58.9	-11.1	-177.4	-20.2	31.3	0	0	0	116.1	T24	P22-T24 PolarHBondContact O-N 3.46Å
23	R	29.6	Very low	33.1	Very low	207 Å²	207	124.9 Å²	124.9	78%	0.781	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-67.9	-16.3	-179.7	-71.5	-177.8	172.8	176.8	-0.3	114.5	S21	S21-R23 PolarHBondContact O-N 3.42Å
24	T	30.8	Very low	34.8	Very low	72 Å²	72	128.6 Å²	128.6	44%	0.442	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-84.1	-20.4	-176.1	43	0	0	0	0	113.9	S21 P22 A28	S21-T24 PolarHBondContact O-N 3.2Å; S21-T24 PolarHBondContact O-OG1 3.05Å; P22-T24 PolarHBondContact O-N 3.46Å; T24-A28 PolarHBondContact O-N 3.44Å
25	F	33.8	Very low	37.2	Very low	146 Å²	146	128.2 Å²	128.2	64%	0.64	67%	0.674	S	S	*	*	H	α-helix	trans	-75.3	-38	180	-96.7	-86.9	0	0	0	113.5	R27 A28 S29	F25-R27 PolarHBondContact O-N 2.97Å; F25-A28 PolarHBondContact O-N 3.16Å; F25-S29 PolarHBondContact O-N 3.49Å
26	S	38.5	Very low	39.7	Very low	40 Å²	40	120.2 Å²	120.2	28%	0.28	65%	0.647	S	S	.	*	H	α-helix	trans	-71.4	-17.6	178.4	71.3	0	0	0	0	113.7	S29	S26-S29 PolarHBondContact O-OG 3.27Å
27	R	35.7	Very low	42.8	Very low	194 Å²	194	116.3 Å²	116.3	73%	0.732	62%	0.623	S	S	*	*	H	α-helix	trans	-86.1	-28.1	173	-124	178.7	175.2	-167.3	-3.2	112.5	F25 R30	F25-R27 PolarHBondContact O-N 2.97Å; R27-R30 PolarHBondContact O-N 2.98Å
28	A	34.4	Very low	45.9	Very low	49 Å²	49	109 Å²	109	41%	0.405	58%	0.584	S	S	.	*	H	α-helix	trans	-73.3	-32.1	177.8	0	0	0	0	0	112.7	T24 F25 R30 L31	T24-A28 PolarHBondContact O-N 3.44Å; F25-A28 PolarHBondContact O-N 3.16Å; A28-R30 VanDerWaalsContact C-N 3.26Å; A28-R30 PolarHBondContact O-N 3.21Å; A28-L31 PolarHBondContact O-N 3.34Å
29	S	38.9	Very low	49	Very low	57 Å²	57	102.4 Å²	102.4	40%	0.399	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-65.7	-28.6	174.4	76.5	0	0	0	0	112.9	F25 S26 L31 L32	F25-S29 PolarHBondContact O-N 3.49Å; S26-S29 PolarHBondContact O-OG 3.27Å; S29-L31 PolarHBondContact O-N 3.16Å; S29-L32 PolarHBondContact O-N 3.39Å
30	R	42.9	Very low	52.1	Low	145 Å²	145	97.5 Å²	97.5	55%	0.547	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-69.3	-17.6	177.2	-63.1	-175.2	-163.2	-162.3	1.6	113.7	R27 A28	R27-R30 PolarHBondContact O-N 2.98Å; A28-R30 VanDerWaalsContact C-N 3.26Å; A28-R30 PolarHBondContact O-N 3.21Å
31	L	38.9	Very low	55.4	Low	156 Å²	156	95.9 Å²	95.9	82%	0.817	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-86.7	-6.7	176.4	-82.4	148.9	0	0	0	113.2	A28 S29	A28-L31 PolarHBondContact O-N 3.34Å; S29-L31 PolarHBondContact O-N 3.16Å
32	L	41.4	Very low	58.6	Low	144 Å²	144	92.8 Å²	92.8	75%	0.754	47%	0.468	S	S	*	.	S	Bend	trans	-101.7	11.8	-176.4	-83.4	156.7	0	0	0	114.7	S29 R34	S29-L32 PolarHBondContact O-N 3.39Å; L32-R34 PolarHBondContact O-N 3.29Å
33	G	46.2	Very low	61.6	Low	76 Å²	76	88.9 Å²	88.9	78%	0.784	44%	0.44	S	S	*	.			trans	68.1	2.3	167.3	0	0	0	0	0	117.1
34	R	60.2	Low	64.4	Low	235 Å²	235	84.9 Å²	84.9	89%	0.887	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-89.7	116.2	178.1	-132.6	176.4	-176.2	-174.9	0.3	109.8	L32	L32-R34 PolarHBondContact O-N 3.29Å
35	M	79.8	Confident	67.1	Low	99 Å²	99	85.5 Å²	85.5	49%	0.488	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-64	137	173.6	-66.8	-175.4	-173.7	0	0	110.1	V132 K139 N141	M35-V132 HydrophobicContact SD-CG1 4.17Å; M35-V132 HydrophobicContact SD-CG2 4.43Å; M35-K139 HydrophobicContact CE-CB 4.14Å; M35-K139 HydrophobicContact CE-CD 4.04Å; M35-K139 HydrophobicContact CG-CB 4.41Å; M35-K139 HydrophobicContact SD-CB 3.96Å; M35-N141 HydrophobicContact CB-CB 4.33Å
36	E	87.5	Confident	69.9	Low	75 Å²	75	81.9 Å²	81.9	35%	0.35	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	160.4	172.2	-69.6	-178.4	-173.5	0	0	110.6	Y140 N141	E36-Y140 HydrophobicContact CB-CD1 3.7Å; E36-Y140 HydrophobicContact CB-CE1 3.97Å; E36-Y140 CarbonylContact O-C 3.32Å; E36-Y140 WeakPolarHBondContact O-CA 3.48Å; E36-N141 PolarHBondContact O-N 2.98Å
37	A	89.3	Confident	72.6	Confident	37 Å²	37	84.7 Å²	84.7	31%	0.306	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	140.7	-177.9	0	0	0	0	0	112.5	V39 N141 Q143	A37-V39 HydrophobicContact CB-CG2 4.47Å; A37-N141 CarbonylContact C-O 3.57Å; A37-N141 WeakPolarHBondContact CA-O 3.43Å; A37-Q143 HydrophobicContact CB-CG 4.18Å
38	A	93.1	Very high	75.6	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	104.7	160.2	0	0	0	0	0	108.7	S52 F53 L133 N141 V142 Q143	A38-S52 CarbonylContact C-O 3.53Å; A38-S52 WeakPolarHBondContact CA-O 2.92Å; A38-F53 HydrophobicContact CB-CB 4.06Å; A38-L133 HydrophobicContact CB-CD2 4.32Å; A38-N141 PolarHBondContact N-O 2.99Å; A38-V142 HydrophobicContact CB-CG2 4.34Å; A38-V142 CarbonylContact O-C 3.59Å; A38-V142 VanDerWaalsContact O-CA 3.31Å; A38-V142 WeakPolarHBondContact O-CA 3.36Å; A38-Q143 PolarHBondContact O-N 3.34Å
39	V	93.4	Very high	78.5	Confident	30 Å²	30	77.3 Å²	77.3	18%	0.182	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.3	-176.1	-176.8	0	0	0	0	109.5	A37 I51 S52 Q143	A37-V39 HydrophobicContact CB-CG2 4.47Å; V39-I51 CarbonylContact O-C 3.52Å; V39-I51 WeakPolarHBondContact O-CA 3.41Å; V39-S52 PolarHBondContact N-O 2.87Å; V39-S52 PolarHBondContact O-N 3.31Å; V39-Q143 WeakPolarHBondContact CA-O 3.39Å
40	V	95.6	Very high	81.2	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.4	178.3	-178.3	0	0	0	0	109.8	C42 L49 T50 I51 W127 V142 Q143 R144 N145	V40-C42 HydrophobicContact CG1-CB 4.4Å; V40-L49 HydrophobicContact CG1-CD1 4.45Å; V40-T50 CarbonylContact C-O 3.45Å; V40-T50 VanDerWaalsContact CA-O 3.26Å; V40-T50 WeakPolarHBondContact CA-O 3.44Å; V40-I51 HydrophobicContact CG1-CG1 4.28Å; V40-I51 HydrophobicContact CG2-CB 4.45Å; V40-I51 HydrophobicContact CG2-CG1 4.06Å; V40-I51 HydrophobicContact CG2-CG2 4.2Å; V40-W127 HydrophobicContact CB-CB 4.33Å; V40-W127 HydrophobicContact CG1-CB 3.8Å; V40-W127 HydrophobicContact CG1-CG 4.26Å; V40-W127 HydrophobicContact CG2-CB 4.09Å; V40-W127 HydrophobicContact CG2-CD2 4.1Å; V40-W127 HydrophobicContact CG2-CE3 3.77Å; V40-W127 HydrophobicContact CG2-CG 4.25Å; V40-V142 HydrophobicContact CG2-CG1 3.89Å; V40-Q143 PolarHBondContact N-O 3.1Å; V40-R144 CarbonylContact O-C 3.55Å; V40-R144 WeakPolarHBondContact O-CA 3.36Å; V40-N145 PolarHBondContact O-N 3.42Å; V40-N145 PolarHBondContact O-OD1 3.08Å
41	R	95.1	Very high	83.7	Confident	63 Å²	63	69 Å²	69	24%	0.238	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.3	170.7	-178.7	-178	179.3	-78	0.8	109.1	E46 L49 T50 N145 E171 F172	R41-E46 IonicContact CZ-OE1 3.73Å; R41-E46 IonicContact CZ-OE2 3.5Å; R41-E46 VanDerWaalsContact NH1-CD 3.26Å; R41-E46 IonicContact NH1-OE1 2.92Å; R41-E46 PolarHBondContact NH1-OE1 3.38Å; R41-E46 IonicContact NH1-OE2 3.42Å; R41-E46 PolarHBondContact NH1-OE2 3.42Å; R41-E46 IonicContact NH2-OE1 2.88Å; R41-E46 PolarHBondContact NH2-OE1 3.03Å; R41-L49 CarbonylContact O-C 3.52Å; R41-L49 VanDerWaalsContact O-CA 3.23Å; R41-L49 WeakPolarHBondContact O-CA 3.06Å; R41-L49 WeakPolarHBondContact O-CB 3.14Å; R41-T50 WeakPolarHBondContact CB-OG1 3.46Å; R41-T50 PolarHBondContact N-O 3.15Å; R41-T50 PolarHBondContact O-N 3.24Å; R41-N145 WeakPolarHBondContact CA-OD1 3.42Å; R41-E171 WeakPolarHBondContact CD-OE2 3.38Å; R41-E171 IonicContact CZ-OE1 3.24Å; R41-E171 VanDerWaalsContact CZ-OE1 3.27Å; R41-E171 IonicContact CZ-OE2 3.82Å; R41-E171 VanDerWaalsContact NE-CD 3.3Å; R41-E171 IonicContact NE-OE1 3.89Å; R41-E171 PolarHBondContact NE-OE1 3.12Å; R41-E171 IonicContact NE-OE2 2.79Å; R41-E171 PolarHBondContact NE-OE2 3Å; R41-E171 IonicContact NH2-OE1 3.66Å; R41-E171 PolarHBondContact NH2-OE1 3.1Å; R41-F172 HydrophobicContact CG-CE2 4.02Å; R41-F172 HydrophobicContact CG-CZ 4.24Å
42	C	95.2	Very high	86.3	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.014	36%	0.362	C	S	.	.			trans	-140.8	109	-179.3	178.9	0	0	0	0	109.5	V40 L49 Q66 R144 N145	V40-C42 HydrophobicContact CG1-CB 4.4Å; C42-L49 HydrophobicContact CB-CB 3.9Å; C42-L49 HydrophobicContact CB-CD2 4.29Å; C42-Q66 PolarHBondContact SG-OE1 2.84Å; C42-Q66 VanDerWaalsContact SG-OE1 3.36Å; C42-R144 PolarHBondContact SG-NH2 3.09Å; C42-N145 PolarHBondContact N-OD1 2.87Å; C42-N145 PolarHBondContact O-ND2 3.21Å; C42-N145 PolarHBondContact O-OD1 3.35Å
43	L	92.6	Very high	88.7	Confident	39 Å²	39	56.2 Å²	56.2	20%	0.204	33%	0.327	C	S	.	.			trans	-107	140.5	179.5	-74.7	-174	0	0	0	111.8	G45 E46 Q66 F172	L43-G45 PolarHBondContact O-N 3.44Å; L43-E46 HydrophobicContact CB-CG 4.14Å; L43-E46 WeakPolarHBondContact CD1-OE1 3.46Å; L43-E46 PolarHBondContact O-N 3.39Å; L43-Q66 PolarHBondContact O-NE2 2.67Å; L43-F172 HydrophobicContact CD1-CZ 4.49Å; L43-F172 HydrophobicContact CD2-CE1 3.47Å; L43-F172 VanDerWaalsContact CD2-CE1 3.47Å; L43-F172 HydrophobicContact CD2-CZ 3.53Å; L43-F172 HydrophobicContact CG-CE1 4.46Å; L43-F172 HydrophobicContact CG-CZ 4.05Å
44	P	88.8	Confident	90.7	Very high	124 Å²	124	54.1 Å²	54.1	81%	0.805	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	136.9	166.3	-21.4	32.9	0	0	0	110.9	E46	P44-E46 VanDerWaalsContact C-N 3.31Å; P44-E46 PolarHBondContact O-N 2.76Å
45	G	87.9	Confident	91.8	Very high	85 Å²	85	43.6 Å²	43.6	88%	0.876	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-14	178.6	0	0	0	0	0	115.5	L43	L43-G45 PolarHBondContact O-N 3.44Å
46	E	93.6	Very high	91.8	Very high	70 Å²	70	45 Å²	45	33%	0.327	27%	0.266	S	S	.	.			trans	-86.6	138.8	170.1	-68.9	-172.5	-170.4	0	0	111	R41 L43 P44 K48 Q66	R41-E46 IonicContact CZ-OE1 3.73Å; R41-E46 IonicContact CZ-OE2 3.5Å; R41-E46 VanDerWaalsContact NH1-CD 3.26Å; R41-E46 IonicContact NH1-OE1 2.92Å; R41-E46 PolarHBondContact NH1-OE1 3.38Å; R41-E46 IonicContact NH1-OE2 3.42Å; R41-E46 PolarHBondContact NH1-OE2 3.42Å; R41-E46 IonicContact NH2-OE1 2.88Å; R41-E46 PolarHBondContact NH2-OE1 3.03Å; L43-E46 HydrophobicContact CB-CG 4.14Å; L43-E46 WeakPolarHBondContact CD1-OE1 3.46Å; L43-E46 PolarHBondContact O-N 3.39Å; P44-E46 VanDerWaalsContact C-N 3.31Å; P44-E46 PolarHBondContact O-N 2.76Å; E46-K48 PolarHBondContact O-N 3.35Å; E46-Q66 PolarHBondContact O-NE2 2.82Å
47	P	95	Very high	91.1	Very high	98 Å²	98	47.6 Å²	47.6	64%	0.636	28%	0.283	S	S	*	.	S	Bend	trans	-73.2	-18.2	179.3	28.1	-33.8	0	0	0	112.8	D65 Q66	P47-D65 WeakPolarHBondContact O-CA 3.41Å; P47-Q66 PolarHBondContact O-N 2.76Å
48	K	97.1	Very high	90.8	Very high	87 Å²	87	48 Å²	48	38%	0.378	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.9	-172.1	-60.6	-173	-176.3	177.9	0	111.9	E46 L63 R64 D65 Q66	E46-K48 PolarHBondContact O-N 3.35Å; K48-L63 HydrophobicContact CB-CD1 3.73Å; K48-L63 HydrophobicContact CB-CG 4.06Å; K48-L63 HydrophobicContact CD-CD1 4.24Å; K48-L63 HydrophobicContact CD-CD2 3.68Å; K48-L63 HydrophobicContact CD-CG 3.71Å; K48-L63 HydrophobicContact CG-CG 4.48Å; K48-R64 CarbonylContact C-O 3.41Å; K48-R64 WeakPolarHBondContact CA-O 3.29Å; K48-R64 VanDerWaalsContact CB-O 3.31Å; K48-R64 WeakPolarHBondContact CB-O 3.41Å; K48-D65 WeakPolarHBondContact CE-OD1 3.44Å; K48-Q66 VanDerWaalsContact C-CG 3.48Å; K48-Q66 PolarHBondContact O-NE2 3.36Å
49	L	96.4	Very high	90.4	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	157.7	168.9	58.2	81.7	0	0	0	109.9	V40 R41 C42 I51 L63 R64 Q66 N123	V40-L49 HydrophobicContact CG1-CD1 4.45Å; R41-L49 CarbonylContact O-C 3.52Å; R41-L49 VanDerWaalsContact O-CA 3.23Å; R41-L49 WeakPolarHBondContact O-CA 3.06Å; R41-L49 WeakPolarHBondContact O-CB 3.14Å; C42-L49 HydrophobicContact CB-CB 3.9Å; C42-L49 HydrophobicContact CB-CD2 4.29Å; L49-I51 HydrophobicContact CD1-CD1 3.66Å; L49-I51 HydrophobicContact CD1-CG1 3.59Å; L49-L63 WeakPolarHBondContact O-CA 3.19Å; L49-R64 HydrophobicContact CD1-CB 4.26Å; L49-R64 PolarHBondContact N-O 2.81Å; L49-R64 PolarHBondContact O-N 2.74Å; L49-Q66 HydrophobicContact CB-CG 4.06Å; L49-Q66 HydrophobicContact CD2-CG 4.04Å; L49-Q66 HydrophobicContact CG-CG 4.19Å; L49-N123 HydrophobicContact CD1-CB 4.44Å; L49-N123 HydrophobicContact CD2-CB 3.51Å; L49-N123 HydrophobicContact CG-CB 4.35Å
50	T	95.9	Very high	90.3	Very high	27 Å²	27	53.2 Å²	53.2	17%	0.166	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.7	172.1	64.7	0	0	0	0	111	V40 R41 M62 L63	V40-T50 CarbonylContact C-O 3.45Å; V40-T50 VanDerWaalsContact CA-O 3.26Å; V40-T50 WeakPolarHBondContact CA-O 3.44Å; R41-T50 WeakPolarHBondContact CB-OG1 3.46Å; R41-T50 PolarHBondContact N-O 3.15Å; R41-T50 PolarHBondContact O-N 3.24Å; T50-M62 CarbonylContact C-O 3.55Å; T50-M62 WeakPolarHBondContact CA-O 3.46Å; T50-L63 HydrophobicContact CG2-CD1 3.54Å
51	I	95.1	Very high	90.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.2	174.3	-56.6	153.4	0	0	0	107.1	V39 V40 L49 F53 M62 R64 V73 W127	V39-I51 CarbonylContact O-C 3.52Å; V39-I51 WeakPolarHBondContact O-CA 3.41Å; V40-I51 HydrophobicContact CG1-CG1 4.28Å; V40-I51 HydrophobicContact CG2-CB 4.45Å; V40-I51 HydrophobicContact CG2-CG1 4.06Å; V40-I51 HydrophobicContact CG2-CG2 4.2Å; L49-I51 HydrophobicContact CD1-CD1 3.66Å; L49-I51 HydrophobicContact CD1-CG1 3.59Å; I51-F53 HydrophobicContact CG2-CD1 4.29Å; I51-F53 HydrophobicContact CG2-CE1 4.49Å; I51-M62 HydrophobicContact CB-CG 3.67Å; I51-M62 HydrophobicContact CB-SD 4.05Å; I51-M62 HydrophobicContact CD1-CG 4.14Å; I51-M62 HydrophobicContact CD1-SD 3.88Å; I51-M62 HydrophobicContact CG1-CG 4.36Å; I51-M62 HydrophobicContact CG2-SD 4.46Å; I51-M62 PolarHBondContact N-O 3.21Å; I51-M62 PolarHBondContact O-N 3.36Å; I51-R64 HydrophobicContact CD1-CG 4.48Å; I51-V73 HydrophobicContact CD1-CG1 3.69Å; I51-W127 HydrophobicContact CD1-CD2 4.2Å; I51-W127 HydrophobicContact CD1-CH2 4.38Å; I51-W127 HydrophobicContact CD1-CZ2 3.64Å; I51-W127 HydrophobicContact CG1-CD2 4.38Å; I51-W127 HydrophobicContact CG1-CZ2 4.44Å; I51-W127 HydrophobicContact CG2-CH2 4.18Å; I51-W127 HydrophobicContact CG2-CZ3 4.27Å
52	S	93.4	Very high	90	Very high	27 Å²	27	58 Å²	58	19%	0.189	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.8	-177.2	-49.4	0	0	0	0	111.9	A38 V39 K60 H61	A38-S52 CarbonylContact C-O 3.53Å; A38-S52 WeakPolarHBondContact CA-O 2.92Å; V39-S52 PolarHBondContact N-O 2.87Å; V39-S52 PolarHBondContact O-N 3.31Å; S52-K60 WeakPolarHBondContact CA-O 3.3Å; S52-H61 PolarHBondContact OG-ND1 2.76Å
53	F	91.7	Very high	90.1	Very high	5 Å²	5	62.3 Å²	62.3	2%	0.022	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	156.7	175.5	61.4	-81.5	0	0	0	110.6	A38 I51 L55 Q59 K60 M62 I77 L133 V135 Y140	A38-F53 HydrophobicContact CB-CB 4.06Å; I51-F53 HydrophobicContact CG2-CD1 4.29Å; I51-F53 HydrophobicContact CG2-CE1 4.49Å; F53-L55 HydrophobicContact CD2-CB 4.31Å; F53-L55 HydrophobicContact CE2-CB 4.07Å; F53-Q59 PolarHBondContact O-OE1 2.93Å; F53-K60 HydrophobicContact CD1-CB 4.23Å; F53-K60 HydrophobicContact CD2-CG 4.5Å; F53-K60 HydrophobicContact CE1-CB 3.98Å; F53-K60 HydrophobicContact CE2-CB 4.3Å; F53-K60 HydrophobicContact CE2-CG 4.05Å; F53-K60 HydrophobicContact CG-CB 4.49Å; F53-K60 HydrophobicContact CZ-CB 4.02Å; F53-K60 HydrophobicContact CZ-CG 4.06Å; F53-K60 PolarHBondContact N-O 3.3Å; F53-K60 WeakPolarHBondContact O-CB 3.38Å; F53-K60 PolarHBondContact O-N 3.32Å; F53-M62 HydrophobicContact CE1-CE 4Å; F53-I77 HydrophobicContact CE1-CD1 4.21Å; F53-I77 HydrophobicContact CE1-CG1 4.5Å; F53-I77 HydrophobicContact CZ-CD1 4.32Å; F53-I77 HydrophobicContact CZ-CG1 4.37Å; F53-I77 HydrophobicContact CZ-CG2 3.93Å; F53-L133 HydrophobicContact CD1-CD2 4.16Å; F53-L133 HydrophobicContact CE1-CD2 4.02Å; F53-L133 HydrophobicContact CG-CD2 4.48Å; F53-L133 HydrophobicContact CZ-CD2 4.22Å; F53-V135 HydrophobicContact CE2-CG2 4.36Å; F53-Y140 HydrophobicContact CB-CD1 4.32Å; F53-Y140 HydrophobicContact CD2-CD2 4.45Å; F53-Y140 HydrophobicContact CD2-CE1 4.2Å; F53-Y140 HydrophobicContact CD2-CE2 4.11Å; F53-Y140 AromaticContact CD2-CZ 3.98Å; F53-Y140 HydrophobicContact CE2-CE2 4.41Å
54	C	87.3	Confident	90.3	Very high	31 Å²	31	62.6 Å²	62.6	21%	0.209	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132	175	-161.6	0	0	0	0	110	Y140	C54-Y140 WeakPolarHBondContact O-CE1 3.28Å; C54-Y140 PolarHBondContact O-OH 3.15Å; C54-Y140 VanDerWaalsContact O-OH 3.04Å
55	L	84.4	Confident	90.6	Very high	15 Å²	15	60 Å²	60	8%	0.079	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	117.1	172	179.4	70.8	0	0	0	109.1	F53 D57 S58 K60 I81 V135 Y140	F53-L55 HydrophobicContact CD2-CB 4.31Å; F53-L55 HydrophobicContact CE2-CB 4.07Å; L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.27Å; L55-S58 PolarHBondContact N-O 2.83Å; L55-S58 WeakPolarHBondContact O-CB 3.39Å; L55-S58 PolarHBondContact O-N 2.94Å; L55-K60 HydrophobicContact CB-CG 4.26Å; L55-I81 HydrophobicContact CD2-CD1 3.95Å; L55-I81 HydrophobicContact CD2-CG1 3.6Å; L55-V135 HydrophobicContact CD1-CG1 4.14Å; L55-V135 HydrophobicContact CD2-CG1 4.25Å; L55-Y140 WeakPolarHBondContact CD1-OH 3.47Å
56	E	78.9	Confident	91.1	Very high	129 Å²	129	56.8 Å²	56.8	60%	0.603	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	48.6	-179.3	-58	-179.7	160.3	0	0	112.4	S58	E56-S58 PolarHBondContact O-N 3.02Å
57	D	74.3	Confident	91.2	Very high	129 Å²	129	60 Å²	60	69%	0.69	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	3.7	-177.1	-48.9	-44.6	0	0	0	114.7	L55	L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.27Å
58	S	81.3	Confident	91.3	Very high	45 Å²	45	56.2 Å²	56.2	32%	0.315	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.4	172.7	178.1	0	0	0	0	110.1	L55 E56 K60	L55-S58 PolarHBondContact N-O 2.83Å; L55-S58 WeakPolarHBondContact O-CB 3.39Å; L55-S58 PolarHBondContact O-N 2.94Å; E56-S58 PolarHBondContact O-N 3.02Å; S58-K60 PolarHBondContact O-N 3.31Å; S58-K60 PolarHBondContact OG-NZ 2.9Å
59	Q	86.1	Confident	91.3	Very high	112 Å²	112	53.6 Å²	53.6	52%	0.523	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.5	169.2	-75.6	-63.7	-19.5	0	0	110.3	F53	F53-Q59 PolarHBondContact O-OE1 2.93Å
60	K	89.9	Confident	91.3	Very high	28 Å²	28	53.5 Å²	53.5	12%	0.122	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129	170.9	-57.6	-52.9	-178.8	-166.9	0	107.5	S52 F53 L55 S58 N84	S52-K60 WeakPolarHBondContact CA-O 3.3Å; F53-K60 HydrophobicContact CD1-CB 4.23Å; F53-K60 HydrophobicContact CD2-CG 4.5Å; F53-K60 HydrophobicContact CE1-CB 3.98Å; F53-K60 HydrophobicContact CE2-CB 4.3Å; F53-K60 HydrophobicContact CE2-CG 4.05Å; F53-K60 HydrophobicContact CG-CB 4.49Å; F53-K60 HydrophobicContact CZ-CB 4.02Å; F53-K60 HydrophobicContact CZ-CG 4.06Å; F53-K60 PolarHBondContact N-O 3.3Å; F53-K60 WeakPolarHBondContact O-CB 3.38Å; F53-K60 PolarHBondContact O-N 3.32Å; L55-K60 HydrophobicContact CB-CG 4.26Å; S58-K60 PolarHBondContact O-N 3.31Å; S58-K60 PolarHBondContact OG-NZ 2.9Å; K60-N84 PolarHBondContact NZ-ND2 3.25Å; K60-N84 VanDerWaalsContact NZ-ND2 3.15Å
61	H	92.2	Very high	91.3	Very high	129 Å²	129	52.8 Å²	52.8	60%	0.597	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	129	174.6	-176.8	75.1	0	0	0	108.1	S52	S52-H61 PolarHBondContact OG-ND1 2.76Å
62	M	94.1	Very high	91.3	Very high	34 Å²	34	58.6 Å²	58.6	17%	0.167	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.6	178.9	63.6	-172	75.4	0	0	111	T50 I51 F53 R64 V73 I77	T50-M62 CarbonylContact C-O 3.55Å; T50-M62 WeakPolarHBondContact CA-O 3.46Å; I51-M62 HydrophobicContact CB-CG 3.67Å; I51-M62 HydrophobicContact CB-SD 4.05Å; I51-M62 HydrophobicContact CD1-CG 4.14Å; I51-M62 HydrophobicContact CD1-SD 3.88Å; I51-M62 HydrophobicContact CG1-CG 4.36Å; I51-M62 HydrophobicContact CG2-SD 4.46Å; I51-M62 PolarHBondContact N-O 3.21Å; I51-M62 PolarHBondContact O-N 3.36Å; F53-M62 HydrophobicContact CE1-CE 4Å; M62-R64 HydrophobicContact CB-CG 4.44Å; M62-R64 HydrophobicContact CG-CG 4.12Å; M62-R64 HydrophobicContact SD-CG 4.28Å; M62-V73 HydrophobicContact SD-CG1 3.61Å; M62-I77 HydrophobicContact CE-CD1 3.91Å; M62-I77 HydrophobicContact CE-CG1 3.48Å; M62-I77 VanDerWaalsContact CE-CG1 3.48Å; M62-I77 HydrophobicContact SD-CD1 4.37Å; M62-I77 HydrophobicContact SD-CG1 4.24Å
63	L	95.9	Very high	91.4	Very high	92 Å²	92	57.3 Å²	57.3	48%	0.482	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.6	171.5	-174.8	72.3	0	0	0	108.3	K48 L49 T50	K48-L63 HydrophobicContact CB-CD1 3.73Å; K48-L63 HydrophobicContact CB-CG 4.06Å; K48-L63 HydrophobicContact CD-CD1 4.24Å; K48-L63 HydrophobicContact CD-CD2 3.68Å; K48-L63 HydrophobicContact CD-CG 3.71Å; K48-L63 HydrophobicContact CG-CG 4.48Å; L49-L63 WeakPolarHBondContact O-CA 3.19Å; T50-L63 HydrophobicContact CG2-CD1 3.54Å
64	R	96.6	Very high	91.6	Very high	46 Å²	46	57.8 Å²	57.8	17%	0.174	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.8	-173.2	-58.7	-54.8	-40.3	142.4	8.2	111	K48 L49 I51 M62 E68 V73 R76	K48-R64 CarbonylContact C-O 3.41Å; K48-R64 WeakPolarHBondContact CA-O 3.29Å; K48-R64 VanDerWaalsContact CB-O 3.31Å; K48-R64 WeakPolarHBondContact CB-O 3.41Å; L49-R64 HydrophobicContact CD1-CB 4.26Å; L49-R64 PolarHBondContact N-O 2.81Å; L49-R64 PolarHBondContact O-N 2.74Å; I51-R64 HydrophobicContact CD1-CG 4.48Å; M62-R64 HydrophobicContact CB-CG 4.44Å; M62-R64 HydrophobicContact CG-CG 4.12Å; M62-R64 HydrophobicContact SD-CG 4.28Å; R64-E68 IonicContact CZ-OE1 2.87Å; R64-E68 IonicContact CZ-OE2 2.64Å; R64-E68 IonicContact NE-OE2 3.29Å; R64-E68 PolarHBondContact NE-OE2 3.41Å; R64-E68 IonicContact NH2-OE1 3.26Å; R64-E68 PolarHBondContact NH2-OE1 3Å; R64-E68 IonicContact NH2-OE2 3.13Å; R64-E68 PolarHBondContact NH2-OE2 3.22Å; R64-V73 HydrophobicContact CB-CG2 4.2Å; R64-V73 HydrophobicContact CG-CG1 4.39Å; R64-V73 HydrophobicContact CG-CG2 3.78Å; R64-R76 VanDerWaalsContact NE-NH1 3.2Å; R64-R76 VanDerWaalsContact NH2-NH1 3.11Å
65	D	96.4	Very high	91.8	Very high	70 Å²	70	60.2 Å²	60.2	37%	0.374	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.4	174.2	-54.7	-58.2	0	0	0	109.8	P47 K48 N67 E68 N123	P47-D65 WeakPolarHBondContact O-CA 3.41Å; K48-D65 WeakPolarHBondContact CE-OD1 3.44Å; D65-N67 PolarHBondContact O-N 2.95Å; D65-E68 HydrophobicContact CB-CB 4.12Å; D65-E68 WeakPolarHBondContact O-CB 3.48Å; D65-E68 PolarHBondContact O-N 3.13Å; D65-E68 VanDerWaalsContact O-N 3.16Å; D65-N123 PolarHBondContact O-ND2 3.48Å; D65-N123 VanDerWaalsContact O-ND2 3.15Å
66	Q	96.9	Very high	92.2	Very high	17 Å²	17	64.1 Å²	64.1	8%	0.079	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.2	-178	-72.3	-158.4	26.3	0	0	111.9	C42 L43 E46 P47 K48 L49 E68 N123 C124	C42-Q66 PolarHBondContact SG-OE1 2.84Å; C42-Q66 VanDerWaalsContact SG-OE1 3.36Å; L43-Q66 PolarHBondContact O-NE2 2.67Å; E46-Q66 PolarHBondContact O-NE2 2.82Å; P47-Q66 PolarHBondContact O-N 2.76Å; K48-Q66 VanDerWaalsContact C-CG 3.48Å; K48-Q66 PolarHBondContact O-NE2 3.36Å; L49-Q66 HydrophobicContact CB-CG 4.06Å; L49-Q66 HydrophobicContact CD2-CG 4.04Å; L49-Q66 HydrophobicContact CG-CG 4.19Å; Q66-E68 VanDerWaalsContact C-N 3.33Å; Q66-N123 PolarHBondContact O-N 2.86Å; Q66-C124 HydrophobicContact CB-CB 3.96Å; Q66-C124 HydrophobicContact CG-CB 4.47Å; Q66-C124 PolarHBondContact O-N 3.06Å; Q66-C124 PolarHBondContact O-SG 2.78Å
67	N	96.4	Very high	92.7	Very high	137 Å²	137	58.2 Å²	58.2	73%	0.733	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0.2	-179.2	-59.3	-23.3	0	0	0	113.3	D65	D65-N67 PolarHBondContact O-N 2.95Å
68	E	96.5	Very high	93.5	Very high	19 Å²	19	52.6 Å²	52.6	9%	0.089	27%	0.267	C	S	.	.	S	Bend	trans	-71.1	137.1	173.5	-174.3	-174.5	-150.2	0	0	109.9	R64 D65 Q66 K72 R76 N123	R64-E68 IonicContact CZ-OE1 2.87Å; R64-E68 IonicContact CZ-OE2 2.64Å; R64-E68 IonicContact NE-OE2 3.29Å; R64-E68 PolarHBondContact NE-OE2 3.41Å; R64-E68 IonicContact NH2-OE1 3.26Å; R64-E68 PolarHBondContact NH2-OE1 3Å; R64-E68 IonicContact NH2-OE2 3.13Å; R64-E68 PolarHBondContact NH2-OE2 3.22Å; D65-E68 HydrophobicContact CB-CB 4.12Å; D65-E68 WeakPolarHBondContact O-CB 3.48Å; D65-E68 PolarHBondContact O-N 3.13Å; D65-E68 VanDerWaalsContact O-N 3.16Å; Q66-E68 VanDerWaalsContact C-N 3.33Å; E68-K72 HydrophobicContact CG-CB 3.97Å; E68-K72 HydrophobicContact CG-CD 3.59Å; E68-K72 HydrophobicContact CG-CG 4.3Å; E68-K72 WeakPolarHBondContact OE1-CB 3.5Å; E68-K72 WeakPolarHBondContact OE1-CD 3.21Å; E68-R76 VanDerWaalsContact CD-NH1 3.29Å; E68-R76 IonicContact OE1-CZ 2.71Å; E68-R76 IonicContact OE1-NH1 2.81Å; E68-R76 PolarHBondContact OE1-NH1 3.14Å; E68-R76 IonicContact OE1-NH2 3.29Å; E68-R76 PolarHBondContact OE1-NH2 3.07Å; E68-R76 IonicContact OE2-CZ 2.63Å; E68-R76 IonicContact OE2-NH1 3.16Å; E68-R76 PolarHBondContact OE2-NH1 3.41Å; E68-R76 VanDerWaalsContact OE2-NH1 3.11Å; E68-N123 VanDerWaalsContact O-CG 3.3Å; E68-N123 PolarHBondContact O-N 2.8Å; E68-N123 PolarHBondContact O-ND2 2.81Å
69	A	97.4	Very high	93.8	Very high	32 Å²	32	54.3 Å²	54.3	26%	0.264	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-58.1	134.9	173.5	0	0	0	0	0	112.1	G71 K72	A69-G71 PolarHBondContact O-N 2.94Å; A69-G71 VanDerWaalsContact O-N 3.17Å; A69-K72 WeakPolarHBondContact O-CB 3.5Å; A69-K72 PolarHBondContact O-N 2.84Å; A69-K72 VanDerWaalsContact O-N 3.1Å
70	L	97.3	Very high	93.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-49.2	-42	-178.6	174.4	65.5	0	0	0	113	K72 V73 L74 L110 V117 D119 L121 A126 W127	L70-K72 PolarHBondContact O-N 3.49Å; L70-K72 VanDerWaalsContact O-N 3.12Å; L70-V73 WeakPolarHBondContact O-CA 3.45Å; L70-V73 WeakPolarHBondContact O-CB 3.33Å; L70-V73 PolarHBondContact O-N 2.98Å; L70-L74 HydrophobicContact CD1-CD1 4.3Å; L70-L74 HydrophobicContact CD1-CD2 4.09Å; L70-L74 HydrophobicContact CD1-CG 4Å; L70-L74 HydrophobicContact CD2-CD1 4.03Å; L70-L74 HydrophobicContact CG-CD1 3.79Å; L70-L74 HydrophobicContact CG-CD2 4.49Å; L70-L74 HydrophobicContact CG-CG 3.95Å; L70-L74 PolarHBondContact O-N 3.49Å; L70-L110 HydrophobicContact CD1-CD2 3.95Å; L70-L110 HydrophobicContact CD2-CB 4.16Å; L70-L110 HydrophobicContact CD2-CD2 4.01Å; L70-V117 HydrophobicContact CD2-CB 3.92Å; L70-V117 HydrophobicContact CD2-CG1 3.67Å; L70-D119 PolarHBondContact N-O 3.35Å; L70-L121 WeakPolarHBondContact CB-O 3.48Å; L70-L121 PolarHBondContact N-O 2.8Å; L70-A126 HydrophobicContact CB-CB 4.07Å; L70-A126 HydrophobicContact CD1-CB 3.93Å; L70-A126 HydrophobicContact CD2-CB 3.89Å; L70-A126 HydrophobicContact CG-CB 4.16Å; L70-W127 HydrophobicContact CD1-CZ2 3.95Å
71	G	95.8	Very high	93.1	Very high	12 Å²	12	50.2 Å²	50.2	12%	0.124	26%	0.26	C	S	.	.	H	α-helix	trans	-55.8	-33.1	-177.4	0	0	0	0	0	113.4	A69 V73 T75 D119	A69-G71 PolarHBondContact O-N 2.94Å; A69-G71 VanDerWaalsContact O-N 3.17Å; G71-V73 VanDerWaalsContact C-N 3.33Å; G71-V73 PolarHBondContact O-N 2.81Å; G71-T75 VanDerWaalsContact O-CB 3.26Å; G71-T75 WeakPolarHBondContact O-CB 3.42Å; G71-T75 PolarHBondContact O-N 2.96Å; G71-T75 PolarHBondContact O-OG1 3.32Å; G71-D119 PolarHBondContact N-O 2.89Å
72	K	95.4	Very high	92.4	Very high	121 Å²	121	45.3 Å²	45.3	53%	0.526	24%	0.241	S	C	.	.	H	α-helix	trans	-68.2	-34.2	175.9	-65	-177.3	179	175.2	0	111.8	E68 A69 L70 R76	E68-K72 HydrophobicContact CG-CB 3.97Å; E68-K72 HydrophobicContact CG-CD 3.59Å; E68-K72 HydrophobicContact CG-CG 4.3Å; E68-K72 WeakPolarHBondContact OE1-CB 3.5Å; E68-K72 WeakPolarHBondContact OE1-CD 3.21Å; A69-K72 WeakPolarHBondContact O-CB 3.5Å; A69-K72 PolarHBondContact O-N 2.84Å; A69-K72 VanDerWaalsContact O-N 3.1Å; L70-K72 PolarHBondContact O-N 3.49Å; L70-K72 VanDerWaalsContact O-N 3.12Å; K72-R76 VanDerWaalsContact O-CG 3.31Å; K72-R76 WeakPolarHBondContact O-CG 3.37Å; K72-R76 PolarHBondContact O-N 3.5Å; K72-R76 PolarHBondContact O-NH1 3.16Å; K72-R76 VanDerWaalsContact O-NH1 3.1Å
73	V	94.8	Very high	91.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-73.5	-47.5	176.3	179.6	0	0	0	0	110.8	I51 M62 R64 L70 G71 T75 R76 I77 N123 W127	I51-V73 HydrophobicContact CD1-CG1 3.69Å; M62-V73 HydrophobicContact SD-CG1 3.61Å; R64-V73 HydrophobicContact CB-CG2 4.2Å; R64-V73 HydrophobicContact CG-CG1 4.39Å; R64-V73 HydrophobicContact CG-CG2 3.78Å; L70-V73 WeakPolarHBondContact O-CA 3.45Å; L70-V73 WeakPolarHBondContact O-CB 3.33Å; L70-V73 PolarHBondContact O-N 2.98Å; G71-V73 VanDerWaalsContact C-N 3.33Å; G71-V73 PolarHBondContact O-N 2.81Å; V73-T75 VanDerWaalsContact C-N 3.31Å; V73-T75 PolarHBondContact O-N 2.65Å; V73-R76 WeakPolarHBondContact O-CB 3.45Å; V73-R76 PolarHBondContact O-N 2.87Å; V73-I77 HydrophobicContact CG1-CD1 4.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.16Å; V73-I77 PolarHBondContact O-N 3.47Å; V73-N123 VanDerWaalsContact CG2-ND2 3.26Å; V73-N123 WeakPolarHBondContact CG2-ND2 3.48Å; V73-N123 VanDerWaalsContact CG2-OD1 3.28Å; V73-N123 WeakPolarHBondContact CG2-OD1 3.41Å; V73-W127 HydrophobicContact CG1-CZ2 3.98Å
74	L	95.1	Very high	90.3	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-42.6	177.6	-58.4	178.9	0	0	0	111.6	L70 R76 I77 S78 V108 L110 W127 L133	L70-L74 HydrophobicContact CD1-CD1 4.3Å; L70-L74 HydrophobicContact CD1-CD2 4.09Å; L70-L74 HydrophobicContact CD1-CG 4Å; L70-L74 HydrophobicContact CD2-CD1 4.03Å; L70-L74 HydrophobicContact CG-CD1 3.79Å; L70-L74 HydrophobicContact CG-CD2 4.49Å; L70-L74 HydrophobicContact CG-CG 3.95Å; L70-L74 PolarHBondContact O-N 3.49Å; L74-R76 VanDerWaalsContact C-N 3.32Å; L74-R76 PolarHBondContact O-N 2.95Å; L74-I77 PolarHBondContact O-N 3.37Å; L74-S78 PolarHBondContact O-N 3.06Å; L74-V108 HydrophobicContact CB-CG1 4.15Å; L74-V108 HydrophobicContact CD2-CG1 3.89Å; L74-L110 HydrophobicContact CD2-CB 4.4Å; L74-W127 HydrophobicContact CD2-CZ2 4.46Å; L74-L133 HydrophobicContact CD2-CD1 4.08Å
75	T	93.3	Very high	89	Confident	81 Å²	81	49.9 Å²	49.9	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-40.5	174.8	-60.2	0	0	0	0	111.9	G71 V73 S78 N79	G71-T75 VanDerWaalsContact O-CB 3.26Å; G71-T75 WeakPolarHBondContact O-CB 3.42Å; G71-T75 PolarHBondContact O-N 2.96Å; G71-T75 PolarHBondContact O-OG1 3.32Å; V73-T75 VanDerWaalsContact C-N 3.31Å; V73-T75 PolarHBondContact O-N 2.65Å; T75-S78 PolarHBondContact O-N 2.82Å; T75-N79 WeakPolarHBondContact O-CB 3.44Å; T75-N79 PolarHBondContact O-N 3.04Å; T75-N79 PolarHBondContact O-ND2 2.99Å
76	R	91	Very high	87.5	Confident	97 Å²	97	49.8 Å²	49.8	37%	0.366	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-41	176.8	-77	-178.1	-166.1	99.7	-2.3	112.3	R64 E68 K72 V73 L74 N79 S80	R64-R76 VanDerWaalsContact NE-NH1 3.2Å; R64-R76 VanDerWaalsContact NH2-NH1 3.11Å; E68-R76 VanDerWaalsContact CD-NH1 3.29Å; E68-R76 IonicContact OE1-CZ 2.71Å; E68-R76 IonicContact OE1-NH1 2.81Å; E68-R76 PolarHBondContact OE1-NH1 3.14Å; E68-R76 IonicContact OE1-NH2 3.29Å; E68-R76 PolarHBondContact OE1-NH2 3.07Å; E68-R76 IonicContact OE2-CZ 2.63Å; E68-R76 IonicContact OE2-NH1 3.16Å; E68-R76 PolarHBondContact OE2-NH1 3.41Å; E68-R76 VanDerWaalsContact OE2-NH1 3.11Å; K72-R76 VanDerWaalsContact O-CG 3.31Å; K72-R76 WeakPolarHBondContact O-CG 3.37Å; K72-R76 PolarHBondContact O-N 3.5Å; K72-R76 PolarHBondContact O-NH1 3.16Å; K72-R76 VanDerWaalsContact O-NH1 3.1Å; V73-R76 WeakPolarHBondContact O-CB 3.45Å; V73-R76 PolarHBondContact O-N 2.87Å; L74-R76 VanDerWaalsContact C-N 3.32Å; L74-R76 PolarHBondContact O-N 2.95Å; R76-N79 PolarHBondContact O-N 2.75Å; R76-S80 PolarHBondContact O-N 3.41Å
77	I	90.6	Very high	85.9	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-50.4	175	-65.8	167.9	0	0	0	109.3	F53 M62 V73 L74 N79 S80 I81 V108 W127 L133 V135	F53-I77 HydrophobicContact CE1-CD1 4.21Å; F53-I77 HydrophobicContact CE1-CG1 4.5Å; F53-I77 HydrophobicContact CZ-CD1 4.32Å; F53-I77 HydrophobicContact CZ-CG1 4.37Å; F53-I77 HydrophobicContact CZ-CG2 3.93Å; M62-I77 HydrophobicContact CE-CD1 3.91Å; M62-I77 HydrophobicContact CE-CG1 3.48Å; M62-I77 VanDerWaalsContact CE-CG1 3.48Å; M62-I77 HydrophobicContact SD-CD1 4.37Å; M62-I77 HydrophobicContact SD-CG1 4.24Å; V73-I77 HydrophobicContact CG1-CD1 4.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.16Å; V73-I77 PolarHBondContact O-N 3.47Å; L74-I77 PolarHBondContact O-N 3.37Å; I77-N79 VanDerWaalsContact C-N 3.34Å; I77-N79 PolarHBondContact O-N 3.43Å; I77-S80 WeakPolarHBondContact O-CB 3.38Å; I77-S80 PolarHBondContact O-N 2.87Å; I77-S80 VanDerWaalsContact O-N 3.11Å; I77-I81 HydrophobicContact CG2-CD1 4Å; I77-I81 WeakPolarHBondContact O-CD1 3.14Å; I77-I81 VanDerWaalsContact O-CG1 3.31Å; I77-I81 WeakPolarHBondContact O-CG1 3.39Å; I77-I81 PolarHBondContact O-N 2.84Å; I77-V108 HydrophobicContact CB-CG1 4.03Å; I77-V108 HydrophobicContact CB-CG2 4.46Å; I77-V108 HydrophobicContact CD1-CG1 4.41Å; I77-V108 HydrophobicContact CG2-CG1 3.87Å; I77-V108 HydrophobicContact CG2-CG2 3.98Å; I77-W127 HydrophobicContact CD1-CH2 4.48Å; I77-L133 HydrophobicContact CD1-CD1 4.5Å; I77-L133 HydrophobicContact CD1-CD2 4.48Å; I77-V135 HydrophobicContact CG2-CG2 4.3Å
78	S	90.5	Very high	84.2	Confident	10 Å²	10	52.4 Å²	52.4	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-46.4	178.3	-171.4	0	0	0	0	112.1	L74 T75 S80 I81 A82 T105 A106	L74-S78 PolarHBondContact O-N 3.06Å; T75-S78 PolarHBondContact O-N 2.82Å; S78-S80 VanDerWaalsContact C-N 3.34Å; S78-S80 PolarHBondContact O-N 2.77Å; S78-I81 WeakPolarHBondContact O-CB 3.27Å; S78-I81 PolarHBondContact O-N 2.82Å; S78-I81 VanDerWaalsContact O-N 3.1Å; S78-A82 PolarHBondContact O-N 3.46Å; S78-A82 VanDerWaalsContact O-N 3.07Å; S78-T105 WeakPolarHBondContact OG-CG2 3.33Å; S78-A106 PolarHBondContact OG-O 3.39Å
79	N	86.9	Confident	82.4	Confident	81 Å²	81	56.5 Å²	56.5	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-36.3	176.8	-74.5	-25.3	0	0	0	113.4	T75 R76 I77 I81 K83	T75-N79 WeakPolarHBondContact O-CB 3.44Å; T75-N79 PolarHBondContact O-N 3.04Å; T75-N79 PolarHBondContact O-ND2 2.99Å; R76-N79 PolarHBondContact O-N 2.75Å; I77-N79 VanDerWaalsContact C-N 3.34Å; I77-N79 PolarHBondContact O-N 3.43Å; N79-I81 PolarHBondContact O-N 3.39Å; N79-K83 WeakPolarHBondContact O-CG 3.47Å; N79-K83 PolarHBondContact O-N 2.93Å; N79-K83 VanDerWaalsContact O-N 3.16Å
80	S	82.4	Confident	80.4	Confident	42 Å²	42	62.9 Å²	62.9	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-33.1	175.8	-177	0	0	0	0	111.9	R76 I77 S78 N84	R76-S80 PolarHBondContact O-N 3.41Å; I77-S80 WeakPolarHBondContact O-CB 3.38Å; I77-S80 PolarHBondContact O-N 2.87Å; I77-S80 VanDerWaalsContact O-N 3.11Å; S78-S80 VanDerWaalsContact C-N 3.34Å; S78-S80 PolarHBondContact O-N 2.77Å; S80-N84 PolarHBondContact O-N 2.83Å
81	I	79.9	Confident	78.2	Confident	13 Å²	13	67.2 Å²	67.2	7%	0.067	35%	0.348	C	S	.	.	H	α-helix	trans	-74.5	-48.3	-179.2	-62.6	162.6	0	0	0	109.9	L55 I77 S78 N79 K83 N84 Q85 A106 V108 V135	L55-I81 HydrophobicContact CD2-CD1 3.95Å; L55-I81 HydrophobicContact CD2-CG1 3.6Å; I77-I81 HydrophobicContact CG2-CD1 4Å; I77-I81 WeakPolarHBondContact O-CD1 3.14Å; I77-I81 VanDerWaalsContact O-CG1 3.31Å; I77-I81 WeakPolarHBondContact O-CG1 3.39Å; I77-I81 PolarHBondContact O-N 2.84Å; S78-I81 WeakPolarHBondContact O-CB 3.27Å; S78-I81 PolarHBondContact O-N 2.82Å; S78-I81 VanDerWaalsContact O-N 3.1Å; N79-I81 PolarHBondContact O-N 3.39Å; I81-K83 PolarHBondContact O-N 2.81Å; I81-N84 PolarHBondContact O-N 2.84Å; I81-Q85 HydrophobicContact CG2-CG 4.44Å; I81-Q85 WeakPolarHBondContact O-CG 3.29Å; I81-Q85 PolarHBondContact O-N 2.83Å; I81-A106 HydrophobicContact CB-CB 4.38Å; I81-A106 HydrophobicContact CD1-CB 4.24Å; I81-A106 HydrophobicContact CG2-CB 3.92Å; I81-V108 HydrophobicContact CD1-CG2 4.16Å; I81-V135 HydrophobicContact CD1-CG1 3.11Å; I81-V135 HydrophobicContact CG1-CG1 4.36Å
82	A	78.3	Confident	76.1	Confident	26 Å²	26	74.8 Å²	74.8	22%	0.215	38%	0.377	C	S	.	.	H	α-helix	trans	-55.6	-40.3	177	0	0	0	0	0	112	S78 T86	S78-A82 PolarHBondContact O-N 3.46Å; S78-A82 VanDerWaalsContact O-N 3.07Å; A82-T86 PolarHBondContact O-N 3.08Å; A82-T86 VanDerWaalsContact O-N 3.07Å; A82-T86 PolarHBondContact O-OG1 3.27Å
83	K	75.3	Confident	73.9	Confident	144 Å²	144	73.3 Å²	73.3	63%	0.626	37%	0.371	S	S	*	.	H	α-helix	trans	-64.9	-39.7	174.9	-75.6	178.7	-178.2	-179.9	0	113.3	N79 I81 T86 K87	N79-K83 WeakPolarHBondContact O-CG 3.47Å; N79-K83 PolarHBondContact O-N 2.93Å; N79-K83 VanDerWaalsContact O-N 3.16Å; I81-K83 PolarHBondContact O-N 2.81Å; K83-T86 WeakPolarHBondContact CA-OG1 3.31Å; K83-T86 PolarHBondContact O-OG1 2.83Å; K83-T86 VanDerWaalsContact O-OG1 3.1Å; K83-K87 PolarHBondContact O-N 2.99Å; K83-K87 VanDerWaalsContact O-N 3.16Å
84	N	70.1	Confident	71.6	Confident	57 Å²	57	83 Å²	83	31%	0.305	41%	0.413	S	S	.	.	H	α-helix	trans	-69.2	-41.1	178.4	-84.4	1.8	0	0	0	111.6	K60 S80 I81 T86 K87 A88	K60-N84 PolarHBondContact NZ-ND2 3.25Å; K60-N84 VanDerWaalsContact NZ-ND2 3.15Å; S80-N84 PolarHBondContact O-N 2.83Å; I81-N84 PolarHBondContact O-N 2.84Å; N84-T86 PolarHBondContact O-N 2.71Å; N84-K87 PolarHBondContact O-N 2.89Å; N84-A88 PolarHBondContact O-N 3.04Å
85	Q	69.1	Low	69.3	Low	67 Å²	67	93.1 Å²	93.1	31%	0.313	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-37.8	176.8	-69	-178.9	-4.5	0	0	112.6	I81 A88 K89	I81-Q85 HydrophobicContact CG2-CG 4.44Å; I81-Q85 WeakPolarHBondContact O-CG 3.29Å; I81-Q85 PolarHBondContact O-N 2.83Å; Q85-A88 PolarHBondContact O-N 3.06Å; Q85-K89 WeakPolarHBondContact O-CB 3.43Å; Q85-K89 WeakPolarHBondContact O-CG 3.46Å; Q85-K89 PolarHBondContact O-N 2.97Å
86	T	64.7	Low	66.9	Low	68 Å²	68	96.3 Å²	96.3	42%	0.417	46%	0.464	S	S	.	.	H	α-helix	trans	-67.7	-36.8	174.6	28.7	0	0	0	0	112.7	A82 K83 N84 K90	A82-T86 PolarHBondContact O-N 3.08Å; A82-T86 VanDerWaalsContact O-N 3.07Å; A82-T86 PolarHBondContact O-OG1 3.27Å; K83-T86 WeakPolarHBondContact CA-OG1 3.31Å; K83-T86 PolarHBondContact O-OG1 2.83Å; K83-T86 VanDerWaalsContact O-OG1 3.1Å; N84-T86 PolarHBondContact O-N 2.71Å; T86-K90 WeakPolarHBondContact O-CB 3.33Å; T86-K90 PolarHBondContact O-N 3.33Å
87	K	64	Low	64.6	Low	153 Å²	153	100.6 Å²	100.6	67%	0.665	49%	0.488	S	S	*	.	H	α-helix	trans	-64.1	-44.2	171.7	-76.9	-177.2	178.7	-178.3	0	112	K83 N84 K90 S91	K83-K87 PolarHBondContact O-N 2.99Å; K83-K87 VanDerWaalsContact O-N 3.16Å; N84-K87 PolarHBondContact O-N 2.89Å; K87-K90 PolarHBondContact O-N 3.02Å; K87-S91 PolarHBondContact O-N 3.25Å
88	A	60	Low	62.1	Low	56 Å²	56	108 Å²	108	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-45	176.5	0	0	0	0	0	111.8	N84 Q85 S91 K92	N84-A88 PolarHBondContact O-N 3.04Å; Q85-A88 PolarHBondContact O-N 3.06Å; A88-S91 PolarHBondContact O-N 3.07Å; A88-S91 PolarHBondContact O-OG 3.24Å; A88-K92 PolarHBondContact O-N 3.12Å; A88-K92 VanDerWaalsContact O-N 3.15Å
89	K	58.3	Low	59.7	Low	104 Å²	104	113.4 Å²	113.4	45%	0.452	56%	0.558	S	S	.	*	H	α-helix	trans	-62.7	-40.2	174.9	-76.1	-179.8	177.6	178.8	0	112.4	Q85 K92 K93	Q85-K89 WeakPolarHBondContact O-CB 3.43Å; Q85-K89 WeakPolarHBondContact O-CG 3.46Å; Q85-K89 PolarHBondContact O-N 2.97Å; K89-K92 PolarHBondContact O-N 3.24Å; K89-K93 WeakPolarHBondContact O-CB 3.37Å; K89-K93 PolarHBondContact O-N 3.15Å
90	K	55.1	Low	57.5	Low	167 Å²	167	113.4 Å²	113.4	73%	0.726	56%	0.564	S	S	*	*	H	α-helix	trans	-64.6	-35.5	174.1	-83.1	-175.4	177.4	-178.7	0	113.2	T86 K87 K93	T86-K90 WeakPolarHBondContact O-CB 3.33Å; T86-K90 PolarHBondContact O-N 3.33Å; K87-K90 PolarHBondContact O-N 3.02Å; K90-K93 PolarHBondContact O-N 3.16Å
91	S	52.3	Low	55.6	Low	90 Å²	90	119.9 Å²	119.9	63%	0.629	59%	0.59	S	S	*	*	H	α-helix	trans	-68.2	-35.3	175.1	82.3	0	0	0	0	112.7	K87 A88	K87-S91 PolarHBondContact O-N 3.25Å; A88-S91 PolarHBondContact O-N 3.07Å; A88-S91 PolarHBondContact O-OG 3.24Å
92	K	50.7	Low	53.9	Low	172 Å²	172	123.9 Å²	123.9	75%	0.748	62%	0.624	S	S	*	*	H	α-helix	trans	-74.5	-31.3	173.3	-99.1	178.8	172.4	178.4	0	113.2	A88 K89 K94 R95	A88-K92 PolarHBondContact O-N 3.12Å; A88-K92 VanDerWaalsContact O-N 3.15Å; K89-K92 PolarHBondContact O-N 3.24Å; K92-K94 PolarHBondContact O-N 3.1Å; K92-K94 VanDerWaalsContact O-N 3.15Å; K92-R95 PolarHBondContact O-N 2.71Å; K92-R95 VanDerWaalsContact O-N 3.08Å
93	K	49.2	Very low	52.5	Low	90 Å²	90	124.5 Å²	124.5	39%	0.391	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68	-6	179	-117.5	178.5	179.7	177.5	0	115.1	K89 K90 R95 Q98	K89-K93 WeakPolarHBondContact O-CB 3.37Å; K89-K93 PolarHBondContact O-N 3.15Å; K90-K93 PolarHBondContact O-N 3.16Å; K93-R95 PolarHBondContact O-N 2.81Å; K93-Q98 WeakPolarHBondContact CE-O 3.27Å; K93-Q98 PolarHBondContact NZ-O 2.74Å
94	K	46.6	Very low	51.5	Low	203 Å²	203	126.1 Å²	126.1	88%	0.883	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-2.3	166.8	-110.5	-174.1	179.9	-175.5	0	113.3	K92	K92-K94 PolarHBondContact O-N 3.1Å; K92-K94 VanDerWaalsContact O-N 3.15Å
95	R	47.3	Very low	50.9	Low	228 Å²	228	128.6 Å²	128.6	86%	0.86	66%	0.656	S	S	*	*	S	Bend	trans	-125.3	-5.9	-178.8	-117.1	-180	-176	179.5	0.4	117.5	K92 K93	K92-R95 PolarHBondContact O-N 2.71Å; K92-R95 VanDerWaalsContact O-N 3.08Å; K93-R95 PolarHBondContact O-N 2.81Å
96	D	43	Very low	50.8	Low	148 Å²	148	126.4 Å²	126.4	79%	0.791	65%	0.65	S	S	*	*			trans	-167.5	140.9	163.2	-93	-38.6	0	0	0	111.1
97	Q	42.9	Very low	51.7	Low	187 Å²	187	126.8 Å²	126.8	87%	0.874	65%	0.652	S	S	*	*			trans	-97.4	110.8	-176	-71.9	-179.3	10.4	0	0	111.4
98	Q	37.7	Very low	53.1	Low	162 Å²	162	120.3 Å²	120.3	76%	0.757	63%	0.625	S	S	*	*			trans	-145.8	156.4	153.1	-104.7	-177.4	-12.6	0	0	111.3	K93	K93-Q98 WeakPolarHBondContact CE-O 3.27Å; K93-Q98 PolarHBondContact NZ-O 2.74Å
99	P	39.6	Very low	54.8	Low	124 Å²	124	120.8 Å²	120.8	81%	0.805	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-67.3	136.1	-175.9	-10.1	25.7	0	0	0	110.4
100	S	40.1	Very low	56.6	Low	80 Å²	80	115.9 Å²	115.9	56%	0.559	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-96.1	127.6	180	65.4	0	0	0	0	110.7
101	E	42.8	Very low	58.6	Low	179 Å²	179	110.3 Å²	110.3	84%	0.836	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-49.1	147.7	162	-71.8	171.2	149.6	0	0	111.4	A103	E101-A103 PolarHBondContact O-N 3.38Å
102	A	45.1	Very low	60.7	Low	96 Å²	96	108.4 Å²	108.4	79%	0.793	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-51.1	134.4	174.9	0	0	0	0	0	109.8	E104	A102-E104 PolarHBondContact O-N 2.9Å; A102-E104 VanDerWaalsContact O-N 3.14Å
103	A	49.5	Very low	62.6	Low	39 Å²	39	110.7 Å²	110.7	32%	0.322	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-63.7	117.1	177.8	0	0	0	0	0	109	E101 T105	E101-A103 PolarHBondContact O-N 3.38Å; A103-T105 PolarHBondContact O-N 3.35Å
104	E	53.9	Low	64.5	Low	179 Å²	179	109.4 Å²	109.4	84%	0.836	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-53.9	124.8	169.4	-79.1	179.8	146.7	0	0	109.4	A102 A106	A102-E104 PolarHBondContact O-N 2.9Å; A102-E104 VanDerWaalsContact O-N 3.14Å; E104-A106 PolarHBondContact O-N 2.63Å; E104-A106 VanDerWaalsContact O-N 3.12Å
105	T	57.8	Low	66.8	Low	108 Å²	108	105.5 Å²	105.5	66%	0.663	56%	0.557	S	S	*	*			trans	-65.2	111.1	178.2	-38.5	0	0	0	0	108.1	S78 A103 V107	S78-T105 WeakPolarHBondContact OG-CG2 3.33Å; A103-T105 PolarHBondContact O-N 3.35Å; T105-V107 PolarHBondContact O-N 3.13Å
106	A	66.7	Low	69.1	Low	21 Å²	21	99.3 Å²	99.3	17%	0.174	54%	0.538	C	S	.	.			trans	-56.2	127	-180	0	0	0	0	0	109.9	S78 I81 E104 V108	S78-A106 PolarHBondContact OG-O 3.39Å; I81-A106 HydrophobicContact CB-CB 4.38Å; I81-A106 HydrophobicContact CD1-CB 4.24Å; I81-A106 HydrophobicContact CG2-CB 3.92Å; E104-A106 PolarHBondContact O-N 2.63Å; E104-A106 VanDerWaalsContact O-N 3.12Å; A106-V108 PolarHBondContact O-N 2.79Å
107	V	82.9	Confident	71.7	Confident	76 Å²	76	93 Å²	93	46%	0.461	50%	0.504	S	S	.	.			trans	-64.5	117.4	176.5	178.2	0	0	0	0	108.2	T105 K109 G136	T105-V107 PolarHBondContact O-N 3.13Å; V107-K109 HydrophobicContact CG1-CD 3.92Å; V107-K109 HydrophobicContact CG1-CG 3.91Å; V107-G136 PolarHBondContact O-N 3.43Å
108	V	93.4	Very high	74.2	Confident	18 Å²	18	87.7 Å²	87.7	11%	0.109	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.1	175.2	-175.9	0	0	0	0	108.6	L74 I77 I81 A106 L133 Q134 V135	L74-V108 HydrophobicContact CB-CG1 4.15Å; L74-V108 HydrophobicContact CD2-CG1 3.89Å; I77-V108 HydrophobicContact CB-CG1 4.03Å; I77-V108 HydrophobicContact CB-CG2 4.46Å; I77-V108 HydrophobicContact CD1-CG1 4.41Å; I77-V108 HydrophobicContact CG2-CG1 3.87Å; I77-V108 HydrophobicContact CG2-CG2 3.98Å; I81-V108 HydrophobicContact CD1-CG2 4.16Å; A106-V108 PolarHBondContact O-N 2.79Å; V108-L133 HydrophobicContact CG1-CD1 4.04Å; V108-Q134 VanDerWaalsContact CA-O 3.28Å; V108-Q134 WeakPolarHBondContact CA-O 3.16Å; V108-V135 HydrophobicContact CG1-CG2 4.42Å; V108-V135 HydrophobicContact CG2-CG1 4.34Å
109	K	95.9	Very high	77	Confident	66 Å²	66	84.9 Å²	84.9	29%	0.287	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.8	-175.4	-69.2	-175.2	168.9	-154.1	0	110.4	V107 F111 E116 Q134	V107-K109 HydrophobicContact CG1-CD 3.92Å; V107-K109 HydrophobicContact CG1-CG 3.91Å; K109-F111 HydrophobicContact CB-CD2 4.37Å; K109-F111 HydrophobicContact CB-CE2 3.61Å; K109-F111 HydrophobicContact CB-CZ 4.01Å; K109-F111 HydrophobicContact CD-CE2 4.39Å; K109-F111 HydrophobicContact CD-CZ 3.98Å; K109-E116 WeakPolarHBondContact CD-OE1 3.41Å; K109-E116 WeakPolarHBondContact CE-OE1 3.46Å; K109-E116 WeakPolarHBondContact CE-OE2 3.48Å; K109-E116 IonicContact NZ-OE1 3.13Å; K109-E116 PolarHBondContact NZ-OE1 2.87Å; K109-E116 IonicContact NZ-OE2 2.71Å; K109-E116 PolarHBondContact NZ-OE2 3.16Å; K109-Q134 PolarHBondContact N-O 2.88Å; K109-Q134 PolarHBondContact O-N 3.4Å
110	L	97.1	Very high	79.6	Confident	1 Å²	1	84.1 Å²	84.1	1%	0.005	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.6	172.7	-171.4	69.1	0	0	0	108.2	L70 L74 V117 A126 W127 A131 L133 V142	L70-L110 HydrophobicContact CD1-CD2 3.95Å; L70-L110 HydrophobicContact CD2-CB 4.16Å; L70-L110 HydrophobicContact CD2-CD2 4.01Å; L74-L110 HydrophobicContact CD2-CB 4.4Å; L110-V117 HydrophobicContact CB-CB 4.27Å; L110-V117 HydrophobicContact CB-CG2 4.33Å; L110-V117 HydrophobicContact CD2-CB 4.29Å; L110-V117 HydrophobicContact CD2-CG1 4.46Å; L110-V117 HydrophobicContact CD2-CG2 4.14Å; L110-V117 HydrophobicContact CG-CB 4.38Å; L110-V117 HydrophobicContact CG-CG2 4.01Å; L110-V117 PolarHBondContact O-N 3.42Å; L110-A126 HydrophobicContact CD2-CB 4.19Å; L110-A126 WeakPolarHBondContact CD2-O 3.39Å; L110-W127 HydrophobicContact CD1-CE3 3.96Å; L110-W127 HydrophobicContact CD1-CH2 4.3Å; L110-W127 HydrophobicContact CD1-CZ3 3.73Å; L110-W127 HydrophobicContact CD2-CD2 4.19Å; L110-W127 HydrophobicContact CD2-CE3 4.19Å; L110-W127 HydrophobicContact CD2-CZ3 4.5Å; L110-A131 HydrophobicContact CD1-CB 4.16Å; L110-A131 HydrophobicContact CG-CB 4.45Å; L110-L133 HydrophobicContact CD1-CB 4.04Å; L110-V142 HydrophobicContact CD1-CG2 3.94Å
111	F	96.8	Very high	82.3	Confident	49 Å²	49	82.4 Å²	82.4	22%	0.215	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.1	177.8	-63.4	-91.9	0	0	0	110.4	K109 D115 E116 A131 V132 Q134	K109-F111 HydrophobicContact CB-CD2 4.37Å; K109-F111 HydrophobicContact CB-CE2 3.61Å; K109-F111 HydrophobicContact CB-CZ 4.01Å; K109-F111 HydrophobicContact CD-CE2 4.39Å; K109-F111 HydrophobicContact CD-CZ 3.98Å; F111-D115 CarbonylContact C-O 3.54Å; F111-D115 WeakPolarHBondContact CA-O 3.39Å; F111-E116 HydrophobicContact CD1-CB 4.17Å; F111-E116 HydrophobicContact CE1-CB 3.95Å; F111-A131 CarbonylContact O-C 3.43Å; F111-A131 WeakPolarHBondContact O-CA 3.16Å; F111-A131 WeakPolarHBondContact O-CB 3.14Å; F111-V132 HydrophobicContact CB-CB 4.47Å; F111-V132 PolarHBondContact N-O 3.42Å; F111-V132 PolarHBondContact O-N 2.9Å; F111-Q134 HydrophobicContact CD2-CB 4.38Å; F111-Q134 HydrophobicContact CE2-CB 4.02Å
112	F	95.4	Very high	84.9	Confident	51 Å²	51	75.6 Å²	75.6	22%	0.224	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.6	170	-176.3	-113	0	0	0	109	G114 D115 V117 Q128 A131	F112-G114 PolarHBondContact O-N 3.5Å; F112-G114 VanDerWaalsContact O-N 3.1Å; F112-D115 PolarHBondContact N-O 2.86Å; F112-D115 PolarHBondContact O-N 2.84Å; F112-D115 VanDerWaalsContact O-N 3.12Å; F112-V117 HydrophobicContact CB-CG2 3.84Å; F112-Q128 HydrophobicContact CD2-CB 4.09Å; F112-Q128 VanDerWaalsContact CE1-OE1 3.3Å; F112-Q128 HydrophobicContact CE2-CB 3.87Å; F112-Q128 HydrophobicContact CZ-CB 4.38Å; F112-A131 HydrophobicContact CB-CB 4.45Å; F112-A131 HydrophobicContact CD2-CB 4.05Å
113	R	91.3	Very high	87.4	Confident	219 Å²	219	71 Å²	71	83%	0.826	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	25.5	-175.5	-59.1	179.8	176.6	-176.9	-1.4	114.9
114	G	88.4	Confident	89.5	Confident	63 Å²	63	70.3 Å²	70.3	65%	0.649	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.7	-17	178.6	0	0	0	0	0	114.4	F112	F112-G114 PolarHBondContact O-N 3.5Å; F112-G114 VanDerWaalsContact O-N 3.1Å
115	D	94.4	Very high	91.5	Very high	121 Å²	121	66.8 Å²	66.8	65%	0.647	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.2	-179.8	-61.8	-47	0	0	0	111.5	F111 F112 V117	F111-D115 CarbonylContact C-O 3.54Å; F111-D115 WeakPolarHBondContact CA-O 3.39Å; F112-D115 PolarHBondContact N-O 2.86Å; F112-D115 PolarHBondContact O-N 2.84Å; F112-D115 VanDerWaalsContact O-N 3.12Å; D115-V117 PolarHBondContact O-N 2.81Å
116	E	96.6	Very high	93.3	Very high	98 Å²	98	61.7 Å²	61.7	46%	0.458	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	125.3	173.9	-174.3	168.7	175.1	0	0	109.6	K109 F111	K109-E116 WeakPolarHBondContact CD-OE1 3.41Å; K109-E116 WeakPolarHBondContact CE-OE1 3.46Å; K109-E116 WeakPolarHBondContact CE-OE2 3.48Å; K109-E116 IonicContact NZ-OE1 3.13Å; K109-E116 PolarHBondContact NZ-OE1 2.87Å; K109-E116 IonicContact NZ-OE2 2.71Å; K109-E116 PolarHBondContact NZ-OE2 3.16Å; F111-E116 HydrophobicContact CD1-CB 4.17Å; F111-E116 HydrophobicContact CE1-CB 3.95Å
117	V	96.6	Very high	94.7	Very high	15 Å²	15	60.7 Å²	60.7	9%	0.091	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-71	128.1	179.4	-177.6	0	0	0	0	108.8	L70 L110 F112 D115 D119 L121 A126	L70-V117 HydrophobicContact CD2-CB 3.92Å; L70-V117 HydrophobicContact CD2-CG1 3.67Å; L110-V117 HydrophobicContact CB-CB 4.27Å; L110-V117 HydrophobicContact CB-CG2 4.33Å; L110-V117 HydrophobicContact CD2-CB 4.29Å; L110-V117 HydrophobicContact CD2-CG1 4.46Å; L110-V117 HydrophobicContact CD2-CG2 4.14Å; L110-V117 HydrophobicContact CG-CB 4.38Å; L110-V117 HydrophobicContact CG-CG2 4.01Å; L110-V117 PolarHBondContact O-N 3.42Å; F112-V117 HydrophobicContact CB-CG2 3.84Å; D115-V117 PolarHBondContact O-N 2.81Å; V117-D119 PolarHBondContact O-N 2.83Å; V117-L121 HydrophobicContact CG1-CB 4.47Å; V117-L121 HydrophobicContact CG1-CD2 3.71Å; V117-A126 HydrophobicContact CG1-CB 3.94Å
118	P	96.5	Very high	95.2	Very high	77 Å²	77	60.4 Å²	60.4	50%	0.5	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-55.4	135.1	179.8	-26.8	34.7	0	0	0	112.6	T120 L121	P118-T120 PolarHBondContact O-N 2.89Å; P118-L121 VanDerWaalsContact O-CB 3.29Å; P118-L121 WeakPolarHBondContact O-CB 3.13Å; P118-L121 PolarHBondContact O-N 3.44Å; P118-L121 VanDerWaalsContact O-N 3.14Å
119	D	95.3	Very high	95.1	Very high	102 Å²	102	63.4 Å²	63.4	55%	0.545	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.3	-178.2	72.3	-23.1	0	0	0	113.4	L70 G71 V117	L70-D119 PolarHBondContact N-O 3.35Å; G71-D119 PolarHBondContact N-O 2.89Å; V117-D119 PolarHBondContact O-N 2.83Å
120	T	96.1	Very high	94.7	Very high	108 Å²	108	62 Å²	62	66%	0.663	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.3	174.3	54.6	0	0	0	0	113.5	P118	P118-T120 PolarHBondContact O-N 2.89Å
121	L	96.9	Very high	94.6	Very high	45 Å²	45	62 Å²	62	24%	0.236	34%	0.338	C	S	.	.	S	Bend	trans	-65.3	138.1	-175.5	-163.6	69.2	0	0	0	110.5	L70 V117 P118 E125 A126	L70-L121 WeakPolarHBondContact CB-O 3.48Å; L70-L121 PolarHBondContact N-O 2.8Å; V117-L121 HydrophobicContact CG1-CB 4.47Å; V117-L121 HydrophobicContact CG1-CD2 3.71Å; P118-L121 VanDerWaalsContact O-CB 3.29Å; P118-L121 WeakPolarHBondContact O-CB 3.13Å; P118-L121 PolarHBondContact O-N 3.44Å; P118-L121 VanDerWaalsContact O-N 3.14Å; L121-E125 HydrophobicContact CD1-CB 4.24Å; L121-E125 WeakPolarHBondContact CD1-OE2 3.32Å; L121-E125 HydrophobicContact CD2-CB 4.08Å; L121-E125 HydrophobicContact CG-CB 3.94Å; L121-A126 HydrophobicContact CB-CB 4.42Å; L121-A126 HydrophobicContact CD2-CB 4.02Å; L121-A126 HydrophobicContact CG-CB 4.41Å
122	P	96.8	Very high	94.6	Very high	36 Å²	36	61.1 Å²	61.1	23%	0.234	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-58.3	142.3	174.3	-24.5	34.9	0	0	0	111.6	C124 E125 A126	P122-C124 PolarHBondContact O-N 3.01Å; P122-E125 PolarHBondContact O-N 3.22Å; P122-A126 WeakPolarHBondContact O-CB 3.19Å; P122-A126 PolarHBondContact O-N 2.83Å
123	N	96.9	Very high	94.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-55.7	-37.8	178.8	-73.8	-54.1	0	0	0	112.9	L49 D65 Q66 E68 V73 E125 A126 W127	L49-N123 HydrophobicContact CD1-CB 4.44Å; L49-N123 HydrophobicContact CD2-CB 3.51Å; L49-N123 HydrophobicContact CG-CB 4.35Å; D65-N123 PolarHBondContact O-ND2 3.48Å; D65-N123 VanDerWaalsContact O-ND2 3.15Å; Q66-N123 PolarHBondContact O-N 2.86Å; E68-N123 VanDerWaalsContact O-CG 3.3Å; E68-N123 PolarHBondContact O-N 2.8Å; E68-N123 PolarHBondContact O-ND2 2.81Å; V73-N123 VanDerWaalsContact CG2-ND2 3.26Å; V73-N123 WeakPolarHBondContact CG2-ND2 3.48Å; V73-N123 VanDerWaalsContact CG2-OD1 3.28Å; V73-N123 WeakPolarHBondContact CG2-OD1 3.41Å; N123-E125 PolarHBondContact O-N 3.22Å; N123-A126 PolarHBondContact O-N 3.19Å; N123-W127 VanDerWaalsContact O-CD1 3.23Å; N123-W127 PolarHBondContact O-N 3.42Å; N123-W127 PolarHBondContact OD1-NE1 3.1Å; N123-W127 VanDerWaalsContact OD1-NE1 3.15Å
124	C	94.7	Very high	94.8	Very high	24 Å²	24	50.1 Å²	50.1	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-23.2	177.6	53	0	0	0	0	113.8	Q66 P122 R144	Q66-C124 HydrophobicContact CB-CB 3.96Å; Q66-C124 HydrophobicContact CG-CB 4.47Å; Q66-C124 PolarHBondContact O-N 3.06Å; Q66-C124 PolarHBondContact O-SG 2.78Å; P122-C124 PolarHBondContact O-N 3.01Å; C124-R144 VanDerWaalsContact O-CZ 3.24Å; C124-R144 PolarHBondContact O-NH1 3.24Å; C124-R144 PolarHBondContact O-NH2 3.17Å
125	E	95.1	Very high	94.9	Very high	105 Å²	105	47.5 Å²	47.5	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-98.7	-34.1	177.2	-68.2	177.3	-149.2	0	0	112.1	L121 P122 N123 Q128	L121-E125 HydrophobicContact CD1-CB 4.24Å; L121-E125 WeakPolarHBondContact CD1-OE2 3.32Å; L121-E125 HydrophobicContact CD2-CB 4.08Å; L121-E125 HydrophobicContact CG-CB 3.94Å; P122-E125 PolarHBondContact O-N 3.22Å; N123-E125 PolarHBondContact O-N 3.22Å; E125-Q128 WeakPolarHBondContact O-CG 3.28Å; E125-Q128 PolarHBondContact O-NE2 3.37Å
126	A	96.1	Very high	94.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-43.9	-176.9	0	0	0	0	0	113.8	L70 L110 V117 L121 P122 N123 Q128	L70-A126 HydrophobicContact CB-CB 4.07Å; L70-A126 HydrophobicContact CD1-CB 3.93Å; L70-A126 HydrophobicContact CD2-CB 3.89Å; L70-A126 HydrophobicContact CG-CB 4.16Å; L110-A126 HydrophobicContact CD2-CB 4.19Å; L110-A126 WeakPolarHBondContact CD2-O 3.39Å; V117-A126 HydrophobicContact CG1-CB 3.94Å; L121-A126 HydrophobicContact CB-CB 4.42Å; L121-A126 HydrophobicContact CD2-CB 4.02Å; L121-A126 HydrophobicContact CG-CB 4.41Å; P122-A126 WeakPolarHBondContact O-CB 3.19Å; P122-A126 PolarHBondContact O-N 2.83Å; N123-A126 PolarHBondContact O-N 3.19Å; A126-Q128 PolarHBondContact O-N 3.11Å
127	W	95.9	Very high	94	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-83.6	84.3	-176	-64	98	0	0	0	110.7	V40 I51 L70 V73 L74 I77 L110 N123 L133 V142 R144	V40-W127 HydrophobicContact CB-CB 4.33Å; V40-W127 HydrophobicContact CG1-CB 3.8Å; V40-W127 HydrophobicContact CG1-CG 4.26Å; V40-W127 HydrophobicContact CG2-CB 4.09Å; V40-W127 HydrophobicContact CG2-CD2 4.1Å; V40-W127 HydrophobicContact CG2-CE3 3.77Å; V40-W127 HydrophobicContact CG2-CG 4.25Å; I51-W127 HydrophobicContact CD1-CD2 4.2Å; I51-W127 HydrophobicContact CD1-CH2 4.38Å; I51-W127 HydrophobicContact CD1-CZ2 3.64Å; I51-W127 HydrophobicContact CG1-CD2 4.38Å; I51-W127 HydrophobicContact CG1-CZ2 4.44Å; I51-W127 HydrophobicContact CG2-CH2 4.18Å; I51-W127 HydrophobicContact CG2-CZ3 4.27Å; L70-W127 HydrophobicContact CD1-CZ2 3.95Å; V73-W127 HydrophobicContact CG1-CZ2 3.98Å; L74-W127 HydrophobicContact CD2-CZ2 4.46Å; I77-W127 HydrophobicContact CD1-CH2 4.48Å; L110-W127 HydrophobicContact CD1-CE3 3.96Å; L110-W127 HydrophobicContact CD1-CH2 4.3Å; L110-W127 HydrophobicContact CD1-CZ3 3.73Å; L110-W127 HydrophobicContact CD2-CD2 4.19Å; L110-W127 HydrophobicContact CD2-CE3 4.19Å; L110-W127 HydrophobicContact CD2-CZ3 4.5Å; N123-W127 VanDerWaalsContact O-CD1 3.23Å; N123-W127 PolarHBondContact O-N 3.42Å; N123-W127 PolarHBondContact OD1-NE1 3.1Å; N123-W127 VanDerWaalsContact OD1-NE1 3.15Å; W127-L133 HydrophobicContact CH2-CD1 3.88Å; W127-L133 HydrophobicContact CH2-CD2 4.06Å; W127-L133 HydrophobicContact CH2-CG 4.38Å; W127-L133 HydrophobicContact CZ3-CB 4.19Å; W127-L133 HydrophobicContact CZ3-CD1 4.3Å; W127-L133 HydrophobicContact CZ3-CD2 4.16Å; W127-L133 HydrophobicContact CZ3-CG 4.44Å; W127-V142 HydrophobicContact CE3-CG1 4.21Å; W127-V142 HydrophobicContact CE3-CG2 3.87Å; W127-V142 HydrophobicContact CZ3-CG2 4.01Å; W127-R144 VanDerWaalsContact O-CD 3.31Å; W127-R144 WeakPolarHBondContact O-CD 3.32Å; W127-R144 PolarHBondContact O-NH1 3.31Å
128	Q	92.6	Very high	93.6	Very high	70 Å²	70	48 Å²	48	33%	0.327	27%	0.273	S	S	.	.			trans	-100.2	153.7	179.9	-56.4	-173.1	24.1	0	0	111.8	F112 E125 A126 G130 A131 V142	F112-Q128 HydrophobicContact CD2-CB 4.09Å; F112-Q128 VanDerWaalsContact CE1-OE1 3.3Å; F112-Q128 HydrophobicContact CE2-CB 3.87Å; F112-Q128 HydrophobicContact CZ-CB 4.38Å; E125-Q128 WeakPolarHBondContact O-CG 3.28Å; E125-Q128 PolarHBondContact O-NE2 3.37Å; A126-Q128 PolarHBondContact O-N 3.11Å; Q128-G130 PolarHBondContact O-N 3.37Å; Q128-A131 VanDerWaalsContact O-CB 3.23Å; Q128-A131 WeakPolarHBondContact O-CB 3.32Å; Q128-A131 PolarHBondContact O-N 2.94Å; Q128-A131 VanDerWaalsContact O-N 3.11Å; Q128-V142 WeakPolarHBondContact O-CB 3.44Å; Q128-V142 WeakPolarHBondContact O-CG1 3.45Å
129	D	90.9	Very high	93.4	Very high	81 Å²	81	49 Å²	49	43%	0.433	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	130.9	173	-154.8	59.3	0	0	0	110	A131 Q143 R144	D129-A131 VanDerWaalsContact C-N 3.31Å; D129-Q143 WeakPolarHBondContact OD1-CA 3.4Å; D129-R144 HydrophobicContact CB-CB 4.28Å; D129-R144 PolarHBondContact OD1-N 3.45Å
130	G	88.6	Confident	93.4	Very high	38 Å²	38	44.3 Å²	44.3	39%	0.392	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	2.1	-174.6	0	0	0	0	0	115.3	Q128 V142	Q128-G130 PolarHBondContact O-N 3.37Å; G130-V142 PolarHBondContact N-O 3.45Å
131	A	95.6	Very high	93.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.			trans	-67	158	164.9	0	0	0	0	0	110.5	L110 F111 F112 Q128 D129 N141 V142	L110-A131 HydrophobicContact CD1-CB 4.16Å; L110-A131 HydrophobicContact CG-CB 4.45Å; F111-A131 CarbonylContact O-C 3.43Å; F111-A131 WeakPolarHBondContact O-CA 3.16Å; F111-A131 WeakPolarHBondContact O-CB 3.14Å; F112-A131 HydrophobicContact CB-CB 4.45Å; F112-A131 HydrophobicContact CD2-CB 4.05Å; Q128-A131 VanDerWaalsContact O-CB 3.23Å; Q128-A131 WeakPolarHBondContact O-CB 3.32Å; Q128-A131 PolarHBondContact O-N 2.94Å; Q128-A131 VanDerWaalsContact O-N 3.11Å; D129-A131 VanDerWaalsContact C-N 3.31Å; A131-N141 PolarHBondContact O-OD1 3.1Å; A131-V142 HydrophobicContact CB-CB 3.95Å; A131-V142 HydrophobicContact CB-CG2 3.95Å; A131-V142 VanDerWaalsContact O-CB 3.32Å; A131-V142 WeakPolarHBondContact O-CB 3.4Å; A131-V142 WeakPolarHBondContact O-CG2 3.28Å; A131-V142 PolarHBondContact O-N 3.07Å
132	V	96.1	Very high	93.1	Very high	31 Å²	31	39.8 Å²	39.8	19%	0.188	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.8	-179.7	-179.2	0	0	0	0	109.3	M35 F111 K139 Y140	M35-V132 HydrophobicContact SD-CG1 4.17Å; M35-V132 HydrophobicContact SD-CG2 4.43Å; F111-V132 HydrophobicContact CB-CB 4.47Å; F111-V132 PolarHBondContact N-O 3.42Å; F111-V132 PolarHBondContact O-N 2.9Å; V132-K139 HydrophobicContact CG1-CB 3.86Å; V132-K139 HydrophobicContact CG1-CD 4.24Å; V132-K139 HydrophobicContact CG1-CG 4.19Å; V132-Y140 CarbonylContact C-O 3.55Å; V132-Y140 VanDerWaalsContact CA-O 3.3Å; V132-Y140 WeakPolarHBondContact CA-O 3.45Å
133	L	95.9	Very high	93	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.3	170.5	173.8	64.9	0	0	0	108.5	A38 F53 L74 I77 V108 L110 W127 V135 K139 Y140 V142	A38-L133 HydrophobicContact CB-CD2 4.32Å; F53-L133 HydrophobicContact CD1-CD2 4.16Å; F53-L133 HydrophobicContact CE1-CD2 4.02Å; F53-L133 HydrophobicContact CG-CD2 4.48Å; F53-L133 HydrophobicContact CZ-CD2 4.22Å; L74-L133 HydrophobicContact CD2-CD1 4.08Å; I77-L133 HydrophobicContact CD1-CD1 4.5Å; I77-L133 HydrophobicContact CD1-CD2 4.48Å; V108-L133 HydrophobicContact CG1-CD1 4.04Å; L110-L133 HydrophobicContact CD1-CB 4.04Å; W127-L133 HydrophobicContact CH2-CD1 3.88Å; W127-L133 HydrophobicContact CH2-CD2 4.06Å; W127-L133 HydrophobicContact CH2-CG 4.38Å; W127-L133 HydrophobicContact CZ3-CB 4.19Å; W127-L133 HydrophobicContact CZ3-CD1 4.3Å; W127-L133 HydrophobicContact CZ3-CD2 4.16Å; W127-L133 HydrophobicContact CZ3-CG 4.44Å; L133-V135 HydrophobicContact CD1-CG2 4.28Å; L133-V135 HydrophobicContact CD2-CG2 4.12Å; L133-V135 HydrophobicContact CG-CG2 3.9Å; L133-K139 CarbonylContact O-C 3.57Å; L133-K139 WeakPolarHBondContact O-CA 3.44Å; L133-Y140 HydrophobicContact CD2-CD2 4.34Å; L133-Y140 HydrophobicContact CG-CD2 4.35Å; L133-Y140 PolarHBondContact N-O 2.7Å; L133-Y140 WeakPolarHBondContact O-CD2 3.23Å; L133-Y140 PolarHBondContact O-N 3.42Å; L133-V142 HydrophobicContact CB-CG2 4.39Å
134	Q	94.5	Very high	92.9	Very high	39 Å²	39	43.5 Å²	43.5	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.6	172.4	-177.8	173.2	-17.6	0	0	109.9	V108 K109 F111 G136 V138 K139	V108-Q134 VanDerWaalsContact CA-O 3.28Å; V108-Q134 WeakPolarHBondContact CA-O 3.16Å; K109-Q134 PolarHBondContact N-O 2.88Å; K109-Q134 PolarHBondContact O-N 3.4Å; F111-Q134 HydrophobicContact CD2-CB 4.38Å; F111-Q134 HydrophobicContact CE2-CB 4.02Å; Q134-G136 VanDerWaalsContact CG-O 3.29Å; Q134-G136 WeakPolarHBondContact CG-O 3.08Å; Q134-G136 PolarHBondContact NE2-O 3.46Å; Q134-V138 WeakPolarHBondContact CA-O 3.3Å; Q134-K139 HydrophobicContact CB-CG 4.46Å; Q134-K139 HydrophobicContact CG-CG 4.35Å
135	V	91.6	Very high	92.8	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	97.7	177.4	-176.3	0	0	0	0	108.5	F53 L55 I77 I81 V108 L133 E137 V138 Y140	F53-V135 HydrophobicContact CE2-CG2 4.36Å; L55-V135 HydrophobicContact CD1-CG1 4.14Å; L55-V135 HydrophobicContact CD2-CG1 4.25Å; I77-V135 HydrophobicContact CG2-CG2 4.3Å; I81-V135 HydrophobicContact CD1-CG1 3.11Å; I81-V135 HydrophobicContact CG1-CG1 4.36Å; V108-V135 HydrophobicContact CG1-CG2 4.42Å; V108-V135 HydrophobicContact CG2-CG1 4.34Å; L133-V135 HydrophobicContact CD1-CG2 4.28Å; L133-V135 HydrophobicContact CD2-CG2 4.12Å; L133-V135 HydrophobicContact CG-CG2 3.9Å; V135-E137 PolarHBondContact O-N 3.37Å; V135-V138 PolarHBondContact N-O 3.04Å; V135-V138 PolarHBondContact O-N 3.24Å; V135-V138 VanDerWaalsContact O-N 3.08Å; V135-Y140 HydrophobicContact CB-CE2 3.99Å; V135-Y140 HydrophobicContact CG2-CD2 4.15Å; V135-Y140 HydrophobicContact CG2-CE2 3.8Å
136	G	87.5	Confident	92.7	Very high	23 Å²	23	39 Å²	39	24%	0.237	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-121.3	-166.6	0	0	0	0	0	110.4	V107 Q134	V107-G136 PolarHBondContact O-N 3.43Å; Q134-G136 VanDerWaalsContact CG-O 3.29Å; Q134-G136 WeakPolarHBondContact CG-O 3.08Å; Q134-G136 PolarHBondContact NE2-O 3.46Å
137	E	84.5	Confident	92.7	Very high	183 Å²	183	39 Å²	39	86%	0.855	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.2	177.5	-61.6	-55.5	134.1	0	0	113.8	V135	V135-E137 PolarHBondContact O-N 3.37Å
138	V	88.3	Confident	92.6	Very high	39 Å²	39	41.3 Å²	41.3	24%	0.236	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.3	-176.2	-170.1	0	0	0	0	109.9	Q134 V135 Y140	Q134-V138 WeakPolarHBondContact CA-O 3.3Å; V135-V138 PolarHBondContact N-O 3.04Å; V135-V138 PolarHBondContact O-N 3.24Å; V135-V138 VanDerWaalsContact O-N 3.08Å; V138-Y140 HydrophobicContact CB-CE2 4.09Å; V138-Y140 HydrophobicContact CG1-CD2 4.47Å; V138-Y140 HydrophobicContact CG1-CE1 4.03Å; V138-Y140 HydrophobicContact CG1-CE2 3.73Å; V138-Y140 VanDerWaalsContact CG1-CZ 3.46Å; V138-Y140 WeakPolarHBondContact CG1-OH 3.13Å
139	K	92.4	Very high	92.8	Very high	99 Å²	99	38.1 Å²	38.1	43%	0.43	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.7	176.7	-66.5	-176.9	179.6	-176.8	0	110.2	M35 V132 L133 Q134	M35-K139 HydrophobicContact CE-CB 4.14Å; M35-K139 HydrophobicContact CE-CD 4.04Å; M35-K139 HydrophobicContact CG-CB 4.41Å; M35-K139 HydrophobicContact SD-CB 3.96Å; V132-K139 HydrophobicContact CG1-CB 3.86Å; V132-K139 HydrophobicContact CG1-CD 4.24Å; V132-K139 HydrophobicContact CG1-CG 4.19Å; L133-K139 CarbonylContact O-C 3.57Å; L133-K139 WeakPolarHBondContact O-CA 3.44Å; Q134-K139 HydrophobicContact CB-CG 4.46Å; Q134-K139 HydrophobicContact CG-CG 4.35Å
140	Y	93.4	Very high	92.9	Very high	3 Å²	3	38 Å²	38	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.5	176.9	-53.4	-90.5	0	0	0	109.8	E36 F53 C54 L55 V132 L133 V135 V138	E36-Y140 HydrophobicContact CB-CD1 3.7Å; E36-Y140 HydrophobicContact CB-CE1 3.97Å; E36-Y140 CarbonylContact O-C 3.32Å; E36-Y140 WeakPolarHBondContact O-CA 3.48Å; F53-Y140 HydrophobicContact CB-CD1 4.32Å; F53-Y140 HydrophobicContact CD2-CD2 4.45Å; F53-Y140 HydrophobicContact CD2-CE1 4.2Å; F53-Y140 HydrophobicContact CD2-CE2 4.11Å; F53-Y140 AromaticContact CD2-CZ 3.98Å; F53-Y140 HydrophobicContact CE2-CE2 4.41Å; C54-Y140 WeakPolarHBondContact O-CE1 3.28Å; C54-Y140 PolarHBondContact O-OH 3.15Å; C54-Y140 VanDerWaalsContact O-OH 3.04Å; L55-Y140 WeakPolarHBondContact CD1-OH 3.47Å; V132-Y140 CarbonylContact C-O 3.55Å; V132-Y140 VanDerWaalsContact CA-O 3.3Å; V132-Y140 WeakPolarHBondContact CA-O 3.45Å; L133-Y140 HydrophobicContact CD2-CD2 4.34Å; L133-Y140 HydrophobicContact CG-CD2 4.35Å; L133-Y140 PolarHBondContact N-O 2.7Å; L133-Y140 WeakPolarHBondContact O-CD2 3.23Å; L133-Y140 PolarHBondContact O-N 3.42Å; V135-Y140 HydrophobicContact CB-CE2 3.99Å; V135-Y140 HydrophobicContact CG2-CD2 4.15Å; V135-Y140 HydrophobicContact CG2-CE2 3.8Å; V138-Y140 HydrophobicContact CB-CE2 4.09Å; V138-Y140 HydrophobicContact CG1-CD2 4.47Å; V138-Y140 HydrophobicContact CG1-CE1 4.03Å; V138-Y140 HydrophobicContact CG1-CE2 3.73Å; V138-Y140 VanDerWaalsContact CG1-CZ 3.46Å; V138-Y140 WeakPolarHBondContact CG1-OH 3.13Å
141	N	93.7	Very high	93.2	Very high	58 Å²	58	37.4 Å²	37.4	31%	0.31	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.8	170.6	-174.2	31.5	0	0	0	109.5	M35 E36 A37 A38 A131 Q143	M35-N141 HydrophobicContact CB-CB 4.33Å; E36-N141 PolarHBondContact O-N 2.98Å; A37-N141 CarbonylContact C-O 3.57Å; A37-N141 WeakPolarHBondContact CA-O 3.43Å; A38-N141 PolarHBondContact N-O 2.99Å; A131-N141 PolarHBondContact O-OD1 3.1Å; N141-Q143 PolarHBondContact O-N 2.86Å
142	V	94.8	Very high	93.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.5	178	176.9	0	0	0	0	109	A38 V40 L110 W127 Q128 G130 A131 L133	A38-V142 HydrophobicContact CB-CG2 4.34Å; A38-V142 CarbonylContact O-C 3.59Å; A38-V142 VanDerWaalsContact O-CA 3.31Å; A38-V142 WeakPolarHBondContact O-CA 3.36Å; V40-V142 HydrophobicContact CG2-CG1 3.89Å; L110-V142 HydrophobicContact CD1-CG2 3.94Å; W127-V142 HydrophobicContact CE3-CG1 4.21Å; W127-V142 HydrophobicContact CE3-CG2 3.87Å; W127-V142 HydrophobicContact CZ3-CG2 4.01Å; Q128-V142 WeakPolarHBondContact O-CB 3.44Å; Q128-V142 WeakPolarHBondContact O-CG1 3.45Å; G130-V142 PolarHBondContact N-O 3.45Å; A131-V142 HydrophobicContact CB-CB 3.95Å; A131-V142 HydrophobicContact CB-CG2 3.95Å; A131-V142 VanDerWaalsContact O-CB 3.32Å; A131-V142 WeakPolarHBondContact O-CB 3.4Å; A131-V142 WeakPolarHBondContact O-CG2 3.28Å; A131-V142 PolarHBondContact O-N 3.07Å; L133-V142 HydrophobicContact CB-CG2 4.39Å
143	Q	93.4	Very high	93.3	Very high	50 Å²	50	41.6 Å²	41.6	23%	0.234	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	103.8	174.5	-60.6	-175.3	-22.3	0	0	108.4	A37 A38 V39 V40 D129 N141 A146	A37-Q143 HydrophobicContact CB-CG 4.18Å; A38-Q143 PolarHBondContact O-N 3.34Å; V39-Q143 WeakPolarHBondContact CA-O 3.39Å; V40-Q143 PolarHBondContact N-O 3.1Å; D129-Q143 WeakPolarHBondContact OD1-CA 3.4Å; N141-Q143 PolarHBondContact O-N 2.86Å; Q143-A146 HydrophobicContact CB-CB 3.95Å
144	R	94.3	Very high	93.3	Very high	63 Å²	63	43 Å²	43	24%	0.238	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.9	-177.9	-169.6	-169.1	-177.3	143	-10.9	109.7	V40 C42 C124 W127 D129 A146 R241	V40-R144 CarbonylContact O-C 3.55Å; V40-R144 WeakPolarHBondContact O-CA 3.36Å; C42-R144 PolarHBondContact SG-NH2 3.09Å; C124-R144 VanDerWaalsContact O-CZ 3.24Å; C124-R144 PolarHBondContact O-NH1 3.24Å; C124-R144 PolarHBondContact O-NH2 3.17Å; W127-R144 VanDerWaalsContact O-CD 3.31Å; W127-R144 WeakPolarHBondContact O-CD 3.32Å; W127-R144 PolarHBondContact O-NH1 3.31Å; D129-R144 HydrophobicContact CB-CB 4.28Å; D129-R144 PolarHBondContact OD1-N 3.45Å; R144-A146 PolarHBondContact O-N 3.09Å; R144-R241 PolarHBondContact O-NH1 3.04Å
145	N	94.1	Very high	93.3	Very high	30 Å²	30	42.6 Å²	42.6	16%	0.16	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	48.2	179.5	-63.7	-9.7	0	0	0	110.5	V40 R41 C42 F172 R241	V40-N145 PolarHBondContact O-N 3.42Å; V40-N145 PolarHBondContact O-OD1 3.08Å; R41-N145 WeakPolarHBondContact CA-OD1 3.42Å; C42-N145 PolarHBondContact N-OD1 2.87Å; C42-N145 PolarHBondContact O-ND2 3.21Å; C42-N145 PolarHBondContact O-OD1 3.35Å; N145-F172 HydrophobicContact CB-CD1 3.68Å; N145-F172 HydrophobicContact CB-CD2 3.87Å; N145-F172 HydrophobicContact CB-CE1 3.66Å; N145-F172 HydrophobicContact CB-CE2 3.87Å; N145-F172 HydrophobicContact CB-CG 3.77Å; N145-F172 HydrophobicContact CB-CZ 3.77Å; N145-F172 WeakPolarHBondContact O-CB 3.35Å; N145-F172 WeakPolarHBondContact O-CG 3.39Å; N145-R241 PolarHBondContact O-NH1 3.02Å; N145-R241 PolarHBondContact O-NH2 3Å
146	A	92.9	Very high	93.3	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.033	25%	0.249	C	C	.	.			trans	-68.6	149.5	177	0	0	0	0	0	109.9	Q143 R144 T148	Q143-A146 HydrophobicContact CB-CB 3.95Å; R144-A146 PolarHBondContact O-N 3.09Å; A146-T148 PolarHBondContact O-N 3.16Å; A146-T148 VanDerWaalsContact O-N 3.11Å; A146-T148 PolarHBondContact O-OG1 3.16Å
147	P	95.8	Very high	93.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.			trans	-48.8	122.8	173.5	-24.6	31.5	0	0	0	110.2	E171 F172 P236 D238 R241 G243	P147-E171 WeakPolarHBondContact CA-O 3.38Å; P147-F172 WeakPolarHBondContact CA-O 3.49Å; P147-F172 WeakPolarHBondContact CG-O 3.46Å; P147-P236 HydrophobicContact CB-CB 3.97Å; P147-P236 HydrophobicContact CB-CG 4.48Å; P147-P236 VanDerWaalsContact O-CG 3.23Å; P147-P236 WeakPolarHBondContact O-CG 3.31Å; P147-D238 HydrophobicContact CG-CB 3.91Å; P147-R241 HydrophobicContact CG-CB 4.2Å; P147-G243 VanDerWaalsContact O-CA 3.27Å; P147-G243 WeakPolarHBondContact O-CA 3.44Å
148	T	94.4	Very high	94.2	Very high	50 Å²	50	38 Å²	38	31%	0.307	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	127.5	-172.3	-62.9	0	0	0	0	110.3	A146 T150 V170 E171	A146-T148 PolarHBondContact O-N 3.16Å; A146-T148 VanDerWaalsContact O-N 3.11Å; A146-T148 PolarHBondContact O-OG1 3.16Å; T148-T150 PolarHBondContact O-N 3.32Å; T148-V170 WeakPolarHBondContact O-CA 3.46Å; T148-E171 PolarHBondContact N-O 2.82Å; T148-E171 PolarHBondContact O-N 3.42Å
149	F	95.3	Very high	94.7	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	111.7	170.1	-72.6	-61.3	0	0	0	110.3	A152 L168 Q169 V170 L175 C178 F180 C234 P236 K246	F149-A152 HydrophobicContact CB-CB 4.18Å; F149-A152 HydrophobicContact CG-CB 4.5Å; F149-L168 HydrophobicContact CD1-CB 4.42Å; F149-L168 HydrophobicContact CE1-CB 4.18Å; F149-L168 HydrophobicContact CE1-CD1 4.36Å; F149-L168 HydrophobicContact CE1-CD2 4.47Å; F149-Q169 CarbonylContact C-O 3.53Å; F149-Q169 VanDerWaalsContact CA-O 3.22Å; F149-Q169 WeakPolarHBondContact CA-O 3.47Å; F149-V170 HydrophobicContact CD1-CB 4.18Å; F149-V170 HydrophobicContact CE1-CB 4.29Å; F149-L175 HydrophobicContact CE1-CD2 3.74Å; F149-C178 HydrophobicContact CZ-CB 4.21Å; F149-F180 HydrophobicContact CZ-CE1 4.36Å; F149-C234 HydrophobicContact CE2-CB 3.7Å; F149-C234 HydrophobicContact CZ-CB 3.98Å; F149-P236 HydrophobicContact CD1-CB 4.49Å; F149-P236 HydrophobicContact CD2-CB 3.84Å; F149-P236 HydrophobicContact CD2-CG 3.83Å; F149-P236 HydrophobicContact CE1-CB 4.4Å; F149-P236 HydrophobicContact CE2-CB 3.74Å; F149-P236 VanDerWaalsContact CE2-CD 3.43Å; F149-P236 HydrophobicContact CE2-CG 3.99Å; F149-P236 HydrophobicContact CG-CB 4.21Å; F149-P236 HydrophobicContact CG-CG 4.47Å; F149-P236 HydrophobicContact CZ-CB 4.03Å; F149-K246 HydrophobicContact CB-CD 4.02Å; F149-K246 PolarHBondContact O-NZ 3.23Å
150	T	93.9	Very high	94.9	Very high	78 Å²	78	31.8 Å²	31.8	48%	0.479	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-35.9	171.3	50.3	0	0	0	0	111	T148 Q169 E171	T148-T150 PolarHBondContact O-N 3.32Å; T150-Q169 PolarHBondContact N-O 3.46Å; T150-Q169 WeakPolarHBondContact OG1-CB 3.41Å; T150-Q169 PolarHBondContact OG1-O 3.05Å; T150-E171 HydrophobicContact CG2-CB 3.79Å
151	T	95.6	Very high	95.2	Very high	25 Å²	25	33.1 Å²	33.1	15%	0.153	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.4	173	-55	0	0	0	0	109.3	E153 K167 L168 Q169	T151-E153 HydrophobicContact CG2-CG 4.3Å; T151-K167 HydrophobicContact CG2-CD 4.08Å; T151-K167 HydrophobicContact CG2-CG 4.02Å; T151-L168 WeakPolarHBondContact O-CA 3.43Å; T151-Q169 PolarHBondContact N-O 2.74Å; T151-Q169 PolarHBondContact O-N 2.87Å; T151-Q169 PolarHBondContact OG1-OE1 3.08Å
152	A	96.4	Very high	95.4	Very high	15 Å²	15	30.6 Å²	30.6	12%	0.124	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	96.7	176.5	0	0	0	0	0	109.7	F149 K167 L168 K246 L248	F149-A152 HydrophobicContact CB-CB 4.18Å; F149-A152 HydrophobicContact CG-CB 4.5Å; A152-K167 WeakPolarHBondContact CA-O 3.29Å; A152-L168 HydrophobicContact CB-CD2 4.05Å; A152-K246 HydrophobicContact CB-CD 3.85Å; A152-L248 HydrophobicContact CB-CD1 4.04Å; A152-L248 HydrophobicContact CB-CD2 4.11Å; A152-L248 WeakPolarHBondContact O-CD2 3.04Å
153	E	96.4	Very high	95.5	Very high	104 Å²	104	30.9 Å²	30.9	49%	0.486	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.4	-172	-65.1	168.7	179.3	0	0	110.9	T151 P166 K167	T151-E153 HydrophobicContact CG2-CG 4.3Å; E153-P166 CarbonylContact O-C 3.56Å; E153-P166 WeakPolarHBondContact O-CA 3.5Å; E153-K167 HydrophobicContact CB-CB 4.35Å; E153-K167 PolarHBondContact N-O 3.36Å; E153-K167 PolarHBondContact O-N 2.92Å; E153-K167 IonicContact OE2-NZ 3.35Å
154	L	96.4	Very high	95.7	Very high	31 Å²	31	28.7 Å²	28.7	16%	0.162	17%	0.168	C	C	.	.			trans	-97.6	145.8	171.2	-72.4	176.6	0	0	0	109.9	P166 W182 L232 L248	L154-P166 HydrophobicContact CD2-CB 4.19Å; L154-W182 HydrophobicContact CD2-CH2 3.38Å; L154-W182 HydrophobicContact CD2-CZ2 4.42Å; L154-W182 HydrophobicContact CD2-CZ3 3.78Å; L154-L232 HydrophobicContact CD2-CB 4.14Å; L154-L232 HydrophobicContact CD2-CD2 4.27Å; L154-L248 HydrophobicContact CD1-CB 3.77Å; L154-L248 HydrophobicContact CG-CB 3.82Å; L154-L248 HydrophobicContact CG-CD1 4.16Å
155	P	93.9	Very high	95.8	Very high	30 Å²	30	26.1 Å²	26.1	20%	0.195	16%	0.16	C	C	.	.			trans	-63.2	150	174	27.1	-33.3	0	0	0	110.9	L158 V164	P155-L158 HydrophobicContact CG-CD2 3.88Å; P155-V164 HydrophobicContact CG-CG1 3.71Å
156	V	92.1	Very high	96	Very high	92 Å²	92	24.7 Å²	24.7	56%	0.558	15%	0.152	S	C	*	.	S	Bend	trans	-75.3	-46.1	-178.1	-178.8	0	0	0	0	110.9	A252	V156-A252 VanDerWaalsContact O-CB 3.27Å; V156-A252 WeakPolarHBondContact O-CB 3.47Å
157	S	93.9	Very high	96.1	Very high	21 Å²	21	26.2 Å²	26.2	15%	0.147	16%	0.158	C	C	.	.			trans	-91.9	127.1	178.8	179.5	0	0	0	0	111.4	N317	S157-N317 WeakPolarHBondContact CB-ND2 3.26Å; S157-N317 PolarHBondContact O-ND2 3.35Å; S157-N317 VanDerWaalsContact O-ND2 3.16Å; S157-N317 PolarHBondContact OG-ND2 3.1Å; S157-N317 VanDerWaalsContact OG-ND2 3.14Å
158	L	97.2	Very high	96.1	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	16%	0.16	C	C	.	.			trans	-126.2	126.6	-177.8	-56.3	176.9	0	0	0	109.3	P155 V164 L230 V254 E255	P155-L158 HydrophobicContact CG-CD2 3.88Å; L158-V164 HydrophobicContact CD2-CB 4.38Å; L158-V164 HydrophobicContact CD2-CG1 3.72Å; L158-V164 HydrophobicContact CD2-CG2 3.7Å; L158-L230 HydrophobicContact CD1-CD1 3.96Å; L158-L230 HydrophobicContact CD1-CG 4.27Å; L158-V254 HydrophobicContact CB-CG2 4.3Å; L158-V254 HydrophobicContact CD1-CG2 4.41Å; L158-E255 PolarHBondContact O-N 3.1Å
159	M	98.1	Very high	96.2	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.02	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-126.6	139.6	178.1	-70.9	-170.3	-72.3	0	0	111.8	G161 F162 E255 Y314 N317 L318	M159-G161 PolarHBondContact O-N 3.02Å; M159-F162 HydrophobicContact CB-CB 4.08Å; M159-F162 HydrophobicContact CB-CD2 3.6Å; M159-F162 HydrophobicContact CB-CE2 4.41Å; M159-F162 HydrophobicContact CB-CG 4.01Å; M159-F162 HydrophobicContact CE-CD1 4.26Å; M159-F162 HydrophobicContact CE-CD2 4.37Å; M159-F162 HydrophobicContact CE-CE1 4.47Å; M159-F162 HydrophobicContact CE-CG 4.23Å; M159-F162 PolarHBondContact O-N 3.09Å; M159-F162 VanDerWaalsContact O-N 3.13Å; M159-E255 WeakPolarHBondContact CA-O 3.28Å; M159-Y314 HydrophobicContact CE-CD2 4.1Å; M159-Y314 HydrophobicContact CE-CE2 4.14Å; M159-Y314 HydrophobicContact SD-CD2 3.94Å; M159-Y314 HydrophobicContact SD-CE2 3.66Å; M159-N317 HydrophobicContact CE-CB 3.2Å; M159-L318 HydrophobicContact CE-CD1 3.7Å
160	A	97.9	Very high	96.2	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	129.7	171.5	0	0	0	0	0	110.7	F162 P221 N223 I226 V254 E255	A160-F162 WeakPolarHBondContact O-CD2 3.41Å; A160-P221 CarbonylContact C-O 3.54Å; A160-P221 WeakPolarHBondContact CA-O 3.18Å; A160-N223 WeakPolarHBondContact CB-OD1 3.45Å; A160-I226 HydrophobicContact CB-CD1 4.17Å; A160-I226 HydrophobicContact CB-CG1 3.92Å; A160-V254 HydrophobicContact CB-CG1 4.16Å; A160-E255 PolarHBondContact N-O 3.16Å
161	G	97.7	Very high	96.2	Very high	31 Å²	31	28.4 Å²	28.4	32%	0.32	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	1.9	-175.4	0	0	0	0	0	115	M159 P221 K321	M159-G161 PolarHBondContact O-N 3.02Å; G161-P221 PolarHBondContact N-O 3.08Å; G161-K321 WeakPolarHBondContact O-CD 3.34Å; G161-K321 VanDerWaalsContact O-CE 3.27Å; G161-K321 WeakPolarHBondContact O-CE 3.41Å
162	F	98.3	Very high	96.2	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.018	17%	0.165	C	C	.	.	S	Bend	trans	-116.1	142.5	-178.9	-67.7	-100.5	0	0	0	111.4	M159 A160 V164 P221 P258 F263 N317 L318 K321	M159-F162 HydrophobicContact CB-CB 4.08Å; M159-F162 HydrophobicContact CB-CD2 3.6Å; M159-F162 HydrophobicContact CB-CE2 4.41Å; M159-F162 HydrophobicContact CB-CG 4.01Å; M159-F162 HydrophobicContact CE-CD1 4.26Å; M159-F162 HydrophobicContact CE-CD2 4.37Å; M159-F162 HydrophobicContact CE-CE1 4.47Å; M159-F162 HydrophobicContact CE-CG 4.23Å; M159-F162 PolarHBondContact O-N 3.09Å; M159-F162 VanDerWaalsContact O-N 3.13Å; A160-F162 WeakPolarHBondContact O-CD2 3.41Å; F162-V164 PolarHBondContact O-N 3.14Å; F162-P221 WeakPolarHBondContact O-CD 3.42Å; F162-P258 HydrophobicContact CE2-CG 4.27Å; F162-P258 HydrophobicContact CZ-CG 3.81Å; F162-F263 HydrophobicContact CE1-CZ 4.35Å; F162-N317 HydrophobicContact CD1-CB 4.28Å; F162-N317 WeakPolarHBondContact CD1-O 3.41Å; F162-L318 HydrophobicContact CD1-CD1 4.32Å; F162-L318 HydrophobicContact CE1-CB 4.4Å; F162-L318 HydrophobicContact CE1-CD1 3.58Å; F162-L318 HydrophobicContact CE1-CG 3.78Å; F162-L318 HydrophobicContact CZ-CD1 3.99Å; F162-L318 HydrophobicContact CZ-CG 4.31Å; F162-K321 HydrophobicContact CD1-CB 3.66Å; F162-K321 HydrophobicContact CD1-CD 3.54Å; F162-K321 HydrophobicContact CD1-CG 4.17Å; F162-K321 HydrophobicContact CD2-CD 4.44Å; F162-K321 HydrophobicContact CE1-CB 3.99Å; F162-K321 HydrophobicContact CE1-CD 3.43Å; F162-K321 VanDerWaalsContact CE1-CD 3.43Å; F162-K321 HydrophobicContact CE1-CG 4.34Å; F162-K321 HydrophobicContact CE2-CD 4.33Å; F162-K321 HydrophobicContact CG-CD 4.06Å; F162-K321 HydrophobicContact CZ-CD 3.85Å
163	P	97.7	Very high	96.1	Very high	7 Å²	7	30.2 Å²	30.2	5%	0.045	17%	0.172	C	C	.	.			trans	-71.5	125.3	-176.7	29.2	-33.9	0	0	0	112	C165 V218 V220 K320 K321 F352	P163-C165 PolarHBondContact O-N 3.3Å; P163-V218 HydrophobicContact CB-CG1 3.66Å; P163-V220 HydrophobicContact CB-CG2 4.32Å; P163-K320 HydrophobicContact CG-CB 4.35Å; P163-K321 HydrophobicContact CG-CB 4.42Å; P163-F352 HydrophobicContact CB-CZ 4.33Å
164	V	97.9	Very high	96	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-87.5	99.6	170	-176.7	0	0	0	0	108	P155 L158 F162 P166 W182 L219 P221 L230	P155-V164 HydrophobicContact CG-CG1 3.71Å; L158-V164 HydrophobicContact CD2-CB 4.38Å; L158-V164 HydrophobicContact CD2-CG1 3.72Å; L158-V164 HydrophobicContact CD2-CG2 3.7Å; F162-V164 PolarHBondContact O-N 3.14Å; V164-P166 WeakPolarHBondContact O-CD 3.38Å; V164-W182 HydrophobicContact CB-CH2 4.3Å; V164-W182 HydrophobicContact CG1-CH2 3.58Å; V164-W182 HydrophobicContact CG1-CZ2 4.4Å; V164-W182 HydrophobicContact CG1-CZ3 4.15Å; V164-L219 WeakPolarHBondContact CB-O 3.17Å; V164-L219 PolarHBondContact N-O 3.2Å; V164-L219 PolarHBondContact O-N 3.19Å; V164-P221 HydrophobicContact CG2-CG 3.68Å; V164-L230 HydrophobicContact CG2-CD1 4.12Å
165	C	97	Very high	95.8	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.061	16%	0.164	C	C	.	.			trans	-99.9	107.2	-179.4	-55.1	0	0	0	0	109.9	P163 A348	P163-C165 PolarHBondContact O-N 3.3Å; C165-A348 HydrophobicContact CB-CB 3.93Å
166	P	96.7	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.			trans	-70.6	142.1	177.5	29.7	-35	0	0	0	111.2	E153 L154 V164 L168 W182 R217 L232	E153-P166 CarbonylContact O-C 3.56Å; E153-P166 WeakPolarHBondContact O-CA 3.5Å; L154-P166 HydrophobicContact CD2-CB 4.19Å; V164-P166 WeakPolarHBondContact O-CD 3.38Å; P166-L168 HydrophobicContact CB-CD1 4.32Å; P166-L168 HydrophobicContact CB-CD2 4.04Å; P166-L168 HydrophobicContact CB-CG 3.95Å; P166-L168 HydrophobicContact CG-CD1 3.91Å; P166-L168 HydrophobicContact CG-CG 4.04Å; P166-L168 PolarHBondContact O-N 3.35Å; P166-W182 HydrophobicContact CG-CZ2 4.39Å; P166-R217 VanDerWaalsContact CD-O 3.29Å; P166-R217 WeakPolarHBondContact CD-O 3.35Å; P166-R217 HydrophobicContact CG-CG 4.2Å; P166-R217 WeakPolarHBondContact CG-O 3.45Å; P166-L232 HydrophobicContact CB-CD2 3.76Å; P166-L232 HydrophobicContact CG-CD2 3.79Å
167	K	95.8	Very high	95.9	Very high	37 Å²	37	31.7 Å²	31.7	16%	0.161	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	106.8	170.6	-178.1	-176.1	174.8	-167	0	108.7	T151 A152 E153 D343 P347	T151-K167 HydrophobicContact CG2-CD 4.08Å; T151-K167 HydrophobicContact CG2-CG 4.02Å; A152-K167 WeakPolarHBondContact CA-O 3.29Å; E153-K167 HydrophobicContact CB-CB 4.35Å; E153-K167 PolarHBondContact N-O 3.36Å; E153-K167 PolarHBondContact O-N 2.92Å; E153-K167 IonicContact OE2-NZ 3.35Å; K167-D343 VanDerWaalsContact CE-OD1 3.25Å; K167-D343 WeakPolarHBondContact CE-OD1 3.31Å; K167-D343 IonicContact NZ-OD1 3.67Å; K167-D343 PolarHBondContact NZ-OD1 3.2Å; K167-P347 HydrophobicContact CB-CB 4.42Å; K167-P347 HydrophobicContact CB-CG 4.13Å; K167-P347 HydrophobicContact CG-CG 3.96Å
168	L	95.9	Very high	96	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.6	-176.1	-56.1	178.1	0	0	0	109.6	F149 T151 A152 P166 L175 F180 R217	F149-L168 HydrophobicContact CD1-CB 4.42Å; F149-L168 HydrophobicContact CE1-CB 4.18Å; F149-L168 HydrophobicContact CE1-CD1 4.36Å; F149-L168 HydrophobicContact CE1-CD2 4.47Å; T151-L168 WeakPolarHBondContact O-CA 3.43Å; A152-L168 HydrophobicContact CB-CD2 4.05Å; P166-L168 HydrophobicContact CB-CD1 4.32Å; P166-L168 HydrophobicContact CB-CD2 4.04Å; P166-L168 HydrophobicContact CB-CG 3.95Å; P166-L168 HydrophobicContact CG-CD1 3.91Å; P166-L168 HydrophobicContact CG-CG 4.04Å; P166-L168 PolarHBondContact O-N 3.35Å; L168-L175 HydrophobicContact CB-CD1 4.41Å; L168-L175 HydrophobicContact CB-CD2 3.78Å; L168-L175 HydrophobicContact CD1-CD2 4.46Å; L168-F180 HydrophobicContact CD1-CD1 4.23Å; L168-F180 HydrophobicContact CD1-CE1 3.34Å; L168-F180 HydrophobicContact CD1-CZ 3.9Å; L168-R217 HydrophobicContact CD1-CG 4.38Å
169	Q	95.3	Very high	96	Very high	94 Å²	94	36 Å²	36	44%	0.439	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.2	167.6	-68.8	175.8	-17.7	0	0	107.8	F149 T150 T151	F149-Q169 CarbonylContact C-O 3.53Å; F149-Q169 VanDerWaalsContact CA-O 3.22Å; F149-Q169 WeakPolarHBondContact CA-O 3.47Å; T150-Q169 PolarHBondContact N-O 3.46Å; T150-Q169 WeakPolarHBondContact OG1-CB 3.41Å; T150-Q169 PolarHBondContact OG1-O 3.05Å; T151-Q169 PolarHBondContact N-O 2.74Å; T151-Q169 PolarHBondContact O-N 2.87Å; T151-Q169 PolarHBondContact OG1-OE1 3.08Å
170	V	95.1	Very high	96	Very high	31 Å²	31	36.5 Å²	36.5	19%	0.188	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132	-179.9	64.8	0	0	0	0	109.1	T148 F149 G173 L175 P236	T148-V170 WeakPolarHBondContact O-CA 3.46Å; F149-V170 HydrophobicContact CD1-CB 4.18Å; F149-V170 HydrophobicContact CE1-CB 4.29Å; V170-G173 WeakPolarHBondContact CG1-O 3.05Å; V170-L175 HydrophobicContact CB-CD2 4.05Å; V170-L175 HydrophobicContact CG1-CD2 3.78Å; V170-L175 HydrophobicContact CG1-CG 3.83Å; V170-P236 HydrophobicContact CG2-CB 3.85Å
171	E	94.9	Very high	96	Very high	42 Å²	42	38 Å²	38	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.7	167.6	-165.1	-176.1	-147.6	0	0	108.2	R41 P147 T148 T150 G173	R41-E171 WeakPolarHBondContact CD-OE2 3.38Å; R41-E171 IonicContact CZ-OE1 3.24Å; R41-E171 VanDerWaalsContact CZ-OE1 3.27Å; R41-E171 IonicContact CZ-OE2 3.82Å; R41-E171 VanDerWaalsContact NE-CD 3.3Å; R41-E171 IonicContact NE-OE1 3.89Å; R41-E171 PolarHBondContact NE-OE1 3.12Å; R41-E171 IonicContact NE-OE2 2.79Å; R41-E171 PolarHBondContact NE-OE2 3Å; R41-E171 IonicContact NH2-OE1 3.66Å; R41-E171 PolarHBondContact NH2-OE1 3.1Å; P147-E171 WeakPolarHBondContact CA-O 3.38Å; T148-E171 PolarHBondContact N-O 2.82Å; T148-E171 PolarHBondContact O-N 3.42Å; T150-E171 HydrophobicContact CG2-CB 3.79Å; E171-G173 PolarHBondContact O-N 3.05Å
172	F	94.9	Very high	96.1	Very high	53 Å²	53	36.6 Å²	36.6	23%	0.232	19%	0.189	C	C	.	.	S	Bend	trans	55.5	30.7	-178	-42.5	-66.7	0	0	0	114.5	R41 L43 N145 P147 D238	R41-F172 HydrophobicContact CG-CE2 4.02Å; R41-F172 HydrophobicContact CG-CZ 4.24Å; L43-F172 HydrophobicContact CD1-CZ 4.49Å; L43-F172 HydrophobicContact CD2-CE1 3.47Å; L43-F172 VanDerWaalsContact CD2-CE1 3.47Å; L43-F172 HydrophobicContact CD2-CZ 3.53Å; L43-F172 HydrophobicContact CG-CE1 4.46Å; L43-F172 HydrophobicContact CG-CZ 4.05Å; N145-F172 HydrophobicContact CB-CD1 3.68Å; N145-F172 HydrophobicContact CB-CD2 3.87Å; N145-F172 HydrophobicContact CB-CE1 3.66Å; N145-F172 HydrophobicContact CB-CE2 3.87Å; N145-F172 HydrophobicContact CB-CG 3.77Å; N145-F172 HydrophobicContact CB-CZ 3.77Å; N145-F172 WeakPolarHBondContact O-CB 3.35Å; N145-F172 WeakPolarHBondContact O-CG 3.39Å; P147-F172 WeakPolarHBondContact CA-O 3.49Å; P147-F172 WeakPolarHBondContact CG-O 3.46Å; F172-D238 WeakPolarHBondContact O-CB 3.46Å
173	G	94.6	Very high	96.1	Very high	26 Å²	26	37.8 Å²	37.8	27%	0.268	19%	0.194	S	C	.	.	S	Bend	trans	-159.1	-178.2	179	0	0	0	0	0	111.6	V170 E171 K237	V170-G173 WeakPolarHBondContact CG1-O 3.05Å; E171-G173 PolarHBondContact O-N 3.05Å; G173-K237 CarbonylContact C-O 3.57Å; G173-K237 WeakPolarHBondContact CA-O 3.41Å
174	N	93.9	Very high	96	Very high	67 Å²	67	39.5 Å²	39.5	36%	0.358	20%	0.201	S	C	.	.			trans	-129.7	131.7	177.5	-176.2	-14.6	0	0	0	109	Q176 D177 C178 K237	N174-Q176 PolarHBondContact O-N 3.07Å; N174-Q176 PolarHBondContact OD1-N 3.43Å; N174-D177 WeakPolarHBondContact CB-OD2 3.38Å; N174-D177 PolarHBondContact O-N 2.85Å; N174-C178 PolarHBondContact O-N 3.26Å; N174-C178 PolarHBondContact O-SG 3.19Å; N174-K237 PolarHBondContact N-O 3.23Å
175	L	93.4	Very high	95.8	Very high	24 Å²	24	42.2 Å²	42.2	13%	0.126	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.2	179.3	-68.9	178.5	0	0	0	113	F149 L168 V170 D177 C178	F149-L175 HydrophobicContact CE1-CD2 3.74Å; L168-L175 HydrophobicContact CB-CD1 4.41Å; L168-L175 HydrophobicContact CB-CD2 3.78Å; L168-L175 HydrophobicContact CD1-CD2 4.46Å; V170-L175 HydrophobicContact CB-CD2 4.05Å; V170-L175 HydrophobicContact CG1-CD2 3.78Å; V170-L175 HydrophobicContact CG1-CG 3.83Å; L175-D177 VanDerWaalsContact C-N 3.31Å; L175-C178 WeakPolarHBondContact O-CB 3.27Å; L175-C178 PolarHBondContact O-N 3.09Å
176	Q	92.1	Very high	95.2	Very high	131 Å²	131	44 Å²	44	61%	0.612	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.7	176.7	-64.3	-177.1	-18.2	0	0	112.9	N174	N174-Q176 PolarHBondContact O-N 3.07Å; N174-Q176 PolarHBondContact OD1-N 3.43Å
177	D	95.2	Very high	93.8	Very high	65 Å²	65	47.6 Å²	47.6	35%	0.348	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-17	178.6	-59.8	-36.3	0	0	0	112	N174 L175 K237 G239	N174-D177 WeakPolarHBondContact CB-OD2 3.38Å; N174-D177 PolarHBondContact O-N 2.85Å; L175-D177 VanDerWaalsContact C-N 3.31Å; D177-K237 HydrophobicContact CB-CB 3.98Å; D177-K237 WeakPolarHBondContact O-CB 3.46Å; D177-K237 WeakPolarHBondContact O-CD 3.38Å; D177-G239 PolarHBondContact OD2-N 3.05Å
178	C	96.9	Very high	91.8	Very high	11 Å²	11	50.6 Å²	50.6	7%	0.074	27%	0.274	C	S	.	.			trans	-63.9	149.6	-177.2	-67.9	0	0	0	0	112.3	F149 N174 L175 F180 T235 P236	F149-C178 HydrophobicContact CZ-CB 4.21Å; N174-C178 PolarHBondContact O-N 3.26Å; N174-C178 PolarHBondContact O-SG 3.19Å; L175-C178 WeakPolarHBondContact O-CB 3.27Å; L175-C178 PolarHBondContact O-N 3.09Å; C178-F180 HydrophobicContact CB-CE1 4.1Å; C178-F180 HydrophobicContact CB-CE2 3.87Å; C178-F180 HydrophobicContact CB-CZ 3.45Å; C178-F180 VanDerWaalsContact CB-CZ 3.45Å; C178-F180 WeakPolarHBondContact O-CE2 3.37Å; C178-T235 WeakPolarHBondContact CA-O 3.23Å; C178-T235 WeakPolarHBondContact CB-O 3.36Å; C178-P236 VanDerWaalsContact SG-CA 3.58Å
179	E	97.5	Very high	89.7	Confident	102 Å²	102	60.6 Å²	60.6	48%	0.477	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	142.3	173	-83.4	173.7	178.4	0	0	111.5	C234 T235 K237	E179-C234 CarbonylContact O-C 3.53Å; E179-C234 VanDerWaalsContact O-CA 3.32Å; E179-C234 WeakPolarHBondContact O-CA 3.41Å; E179-T235 PolarHBondContact N-O 3.1Å; E179-T235 PolarHBondContact O-N 3.37Å; E179-K237 VanDerWaalsContact CD-CE 3.41Å; E179-K237 IonicContact OE1-NZ 3.68Å; E179-K237 PolarHBondContact OE1-NZ 3.33Å; E179-K237 WeakPolarHBondContact OE2-CE 3.32Å; E179-K237 IonicContact OE2-NZ 3.76Å; E179-K237 PolarHBondContact OE2-NZ 3.37Å
180	F	98.1	Very high	87.4	Confident	16 Å²	16	64.4 Å²	64.4	7%	0.07	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.5	178.8	-53.8	-71.3	0	0	0	109.4	F149 L168 C178 C215 E216 R217 L232 C234	F149-F180 HydrophobicContact CZ-CE1 4.36Å; L168-F180 HydrophobicContact CD1-CD1 4.23Å; L168-F180 HydrophobicContact CD1-CE1 3.34Å; L168-F180 HydrophobicContact CD1-CZ 3.9Å; C178-F180 HydrophobicContact CB-CE1 4.1Å; C178-F180 HydrophobicContact CB-CE2 3.87Å; C178-F180 HydrophobicContact CB-CZ 3.45Å; C178-F180 VanDerWaalsContact CB-CZ 3.45Å; C178-F180 WeakPolarHBondContact O-CE2 3.37Å; F180-C215 CarbonylContact O-C 3.57Å; F180-C215 VanDerWaalsContact O-C 3.29Å; F180-C215 WeakPolarHBondContact O-CA 3.48Å; F180-E216 WeakPolarHBondContact CB-O 3.31Å; F180-R217 HydrophobicContact CD2-CB 3.73Å; F180-R217 HydrophobicContact CD2-CG 4.45Å; F180-R217 HydrophobicContact CE1-CG 4.4Å; F180-R217 HydrophobicContact CE2-CB 3.71Å; F180-R217 HydrophobicContact CE2-CG 4.13Å; F180-R217 HydrophobicContact CG-CB 4.2Å; F180-R217 HydrophobicContact CZ-CB 4.19Å; F180-R217 HydrophobicContact CZ-CG 4.09Å; F180-L232 HydrophobicContact CB-CD1 4.09Å; F180-L232 HydrophobicContact CD1-CD1 4.27Å; F180-C234 HydrophobicContact CD1-CB 3.75Å; F180-C234 HydrophobicContact CE1-CB 3.96Å
181	V	98.4	Very high	84.9	Confident	37 Å²	37	74 Å²	74	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	118.6	172.5	-170.6	0	0	0	0	108.7	F183 Q212 G214 R233	V181-F183 HydrophobicContact CB-CE2 3.93Å; V181-F183 HydrophobicContact CB-CZ 4.22Å; V181-F183 HydrophobicContact CG1-CD2 4.41Å; V181-F183 HydrophobicContact CG1-CE1 4.27Å; V181-F183 HydrophobicContact CG1-CE2 3.57Å; V181-F183 HydrophobicContact CG1-CZ 3.48Å; V181-F183 VanDerWaalsContact CG1-CZ 3.48Å; V181-F183 WeakPolarHBondContact O-CE2 3.49Å; V181-Q212 HydrophobicContact CG1-CG 3.76Å; V181-G214 WeakPolarHBondContact CA-O 3.34Å; V181-R233 HydrophobicContact CB-CB 4.48Å; V181-R233 PolarHBondContact N-O 3.23Å; V181-R233 PolarHBondContact O-N 3.28Å
182	W	98.4	Very high	82.3	Confident	1 Å²	1	80.8 Å²	80.8	0%	0.004	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.7	178.7	-73.6	93.9	0	0	0	111.4	L154 V164 P166 Q212 V213 G214 E216 R217 L219 L230 K231 L232	L154-W182 HydrophobicContact CD2-CH2 3.38Å; L154-W182 HydrophobicContact CD2-CZ2 4.42Å; L154-W182 HydrophobicContact CD2-CZ3 3.78Å; V164-W182 HydrophobicContact CB-CH2 4.3Å; V164-W182 HydrophobicContact CG1-CH2 3.58Å; V164-W182 HydrophobicContact CG1-CZ2 4.4Å; V164-W182 HydrophobicContact CG1-CZ3 4.15Å; P166-W182 HydrophobicContact CG-CZ2 4.39Å; W182-Q212 CarbonylContact O-C 3.56Å; W182-Q212 VanDerWaalsContact O-CA 3.3Å; W182-Q212 WeakPolarHBondContact O-CA 3.45Å; W182-V213 HydrophobicContact CB-CG2 3.81Å; W182-V213 PolarHBondContact O-N 3.26Å; W182-G214 PolarHBondContact N-O 2.94Å; W182-E216 PolarHBondContact NE1-O 3.05Å; W182-R217 PolarHBondContact NE1-O 2.94Å; W182-L219 HydrophobicContact CB-CD1 4.31Å; W182-L219 HydrophobicContact CB-CD2 4.07Å; W182-L219 HydrophobicContact CD2-CB 3.66Å; W182-L219 HydrophobicContact CD2-CD2 3.88Å; W182-L219 HydrophobicContact CD2-CG 4.32Å; W182-L219 HydrophobicContact CE3-CB 4.15Å; W182-L219 HydrophobicContact CE3-CD2 3.77Å; W182-L219 HydrophobicContact CG-CB 3.89Å; W182-L219 HydrophobicContact CG-CD1 4.34Å; W182-L219 HydrophobicContact CG-CD2 4.03Å; W182-L219 HydrophobicContact CG-CG 4.31Å; W182-L219 HydrophobicContact CZ2-CB 4.08Å; W182-L219 HydrophobicContact CZ3-CD2 4.46Å; W182-L230 HydrophobicContact CE3-CB 4.34Å; W182-L230 HydrophobicContact CZ3-CB 4.14Å; W182-L230 HydrophobicContact CZ3-CD1 4.42Å; W182-K231 CarbonylContact C-O 3.57Å; W182-K231 WeakPolarHBondContact CA-O 3.18Å; W182-L232 HydrophobicContact CD2-CB 4.27Å; W182-L232 HydrophobicContact CD2-CD1 4.05Å; W182-L232 HydrophobicContact CE3-CB 4.03Å; W182-L232 HydrophobicContact CG-CD1 4.33Å; W182-L232 HydrophobicContact CH2-CB 4.05Å; W182-L232 HydrophobicContact CH2-CD2 4.25Å; W182-L232 HydrophobicContact CZ2-CB 4.27Å; W182-L232 HydrophobicContact CZ2-CD1 4.16Å; W182-L232 HydrophobicContact CZ2-CD2 3.96Å; W182-L232 HydrophobicContact CZ2-CG 4.36Å; W182-L232 HydrophobicContact CZ3-CB 3.92Å
183	F	97.8	Very high	79.7	Confident	28 Å²	28	86.8 Å²	86.8	12%	0.123	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.6	173.2	-51.4	-100.5	0	0	0	110.2	V181 W210 T211 Q212 L230 K231 R233	V181-F183 HydrophobicContact CB-CE2 3.93Å; V181-F183 HydrophobicContact CB-CZ 4.22Å; V181-F183 HydrophobicContact CG1-CD2 4.41Å; V181-F183 HydrophobicContact CG1-CE1 4.27Å; V181-F183 HydrophobicContact CG1-CE2 3.57Å; V181-F183 HydrophobicContact CG1-CZ 3.48Å; V181-F183 VanDerWaalsContact CG1-CZ 3.48Å; V181-F183 WeakPolarHBondContact O-CE2 3.49Å; F183-W210 HydrophobicContact CB-CB 4.1Å; F183-W210 HydrophobicContact CB-CE3 3.94Å; F183-W210 HydrophobicContact CD1-CB 4.4Å; F183-T211 CarbonylContact C-O 3.57Å; F183-T211 WeakPolarHBondContact CA-O 3.36Å; F183-Q212 HydrophobicContact CD1-CB 3.91Å; F183-Q212 HydrophobicContact CE1-CB 3.9Å; F183-Q212 HydrophobicContact CE1-CG 4.41Å; F183-L230 CarbonylContact O-C 3.59Å; F183-L230 WeakPolarHBondContact O-CA 3.42Å; F183-K231 HydrophobicContact CB-CB 4.24Å; F183-K231 PolarHBondContact N-O 2.73Å; F183-K231 PolarHBondContact O-N 2.78Å; F183-R233 HydrophobicContact CE2-CB 4.02Å
184	K	96	Very high	76.8	Confident	44 Å²	44	91.5 Å²	91.5	19%	0.191	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.8	166.9	69.1	179.2	166.5	-176.1	0	111.3	W210 T211 V213 D225 C228 R229 L230	K184-W210 VanDerWaalsContact C-CE3 3.4Å; K184-W210 CarbonylContact O-C 3.54Å; K184-W210 WeakPolarHBondContact O-CA 3.36Å; K184-T211 PolarHBondContact N-O 2.73Å; K184-T211 PolarHBondContact O-N 3.25Å; K184-V213 HydrophobicContact CB-CG1 4.17Å; K184-V213 HydrophobicContact CD-CG1 3.67Å; K184-V213 HydrophobicContact CG-CG1 3.62Å; K184-D225 WeakPolarHBondContact CD-OD1 3.45Å; K184-D225 WeakPolarHBondContact CE-OD1 3.31Å; K184-D225 IonicContact NZ-OD1 2.67Å; K184-D225 PolarHBondContact NZ-OD1 3.38Å; K184-C228 HydrophobicContact CB-CB 4.46Å; K184-R229 WeakPolarHBondContact CA-O 3.1Å; K184-L230 HydrophobicContact CB-CD2 4.2Å
185	E	94.7	Very high	74.1	Confident	59 Å²	59	96.8 Å²	96.8	28%	0.276	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.2	174.7	-169.2	162.9	-139.9	0	0	110.3	N187 W210 R229	E185-N187 PolarHBondContact O-N 2.75Å; E185-W210 HydrophobicContact CB-CE3 4.36Å; E185-W210 HydrophobicContact CB-CH2 4.14Å; E185-W210 HydrophobicContact CB-CZ3 3.98Å; E185-R229 HydrophobicContact CB-CB 4.4Å; E185-R229 PolarHBondContact N-O 2.71Å; E185-R229 IonicContact OE1-CZ 2.99Å; E185-R229 IonicContact OE1-NE 3.01Å; E185-R229 IonicContact OE1-NH2 2.73Å; E185-R229 PolarHBondContact OE1-NH2 2.86Å; E185-R229 IonicContact OE2-CZ 2.67Å; E185-R229 IonicContact OE2-NE 2.87Å; E185-R229 PolarHBondContact OE2-NE 3.05Å; E185-R229 IonicContact OE2-NH2 2.65Å
186	A	83.6	Confident	71.2	Confident	46 Å²	46	101 Å²	101	38%	0.38	50%	0.498	S	S	.	.			trans	-67.9	129.3	176.9	0	0	0	0	0	109.3	S188 G209	A186-S188 PolarHBondContact O-N 2.83Å; A186-G209 WeakPolarHBondContact CB-O 3.46Å; A186-G209 PolarHBondContact N-O 3.23Å
187	N	67.1	Low	68.8	Low	77 Å²	77	101 Å²	101	41%	0.412	51%	0.509	S	S	.	.			trans	-65.8	104.7	-173	-133.9	-22.9	0	0	0	110.5	E185 R189 K190	E185-N187 PolarHBondContact O-N 2.75Å; N187-R189 PolarHBondContact O-N 3.33Å; N187-K190 PolarHBondContact O-N 2.84Å
188	S	55	Low	65.9	Low	100 Å²	100	102.5 Å²	102.5	70%	0.699	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-65.9	-19.1	176.5	40.7	0	0	0	0	112.6	A186 K190 R191	A186-S188 PolarHBondContact O-N 2.83Å; S188-K190 VanDerWaalsContact C-N 3.31Å; S188-K190 PolarHBondContact O-N 2.82Å; S188-R191 PolarHBondContact O-N 3.01Å
189	R	50.6	Low	62.9	Low	218 Å²	218	107.2 Å²	107.2	82%	0.823	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-71.2	-13	179.2	-70.8	-175.4	177.7	177.9	0.8	115.6	N187	N187-R189 PolarHBondContact O-N 3.33Å
190	K	46.5	Very low	60.2	Low	175 Å²	175	108.4 Å²	108.4	76%	0.761	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-92.4	2.3	176.6	-80.6	-169.6	176.5	-176.3	0	114.3	N187 S188	N187-K190 PolarHBondContact O-N 2.84Å; S188-K190 VanDerWaalsContact C-N 3.31Å; S188-K190 PolarHBondContact O-N 2.82Å
191	R	43.9	Very low	57.3	Low	231 Å²	231	116.7 Å²	116.7	87%	0.872	61%	0.61	S	S	*	*	S	Bend	trans	-90	-6	-178.6	-89.7	-174.6	176.5	179	-0.5	115.3	S188	S188-R191 PolarHBondContact O-N 3.01Å
192	E	39.4	Very low	54.3	Low	186 Å²	186	123 Å²	123	87%	0.869	64%	0.643	S	S	*	*	S	Bend	trans	-99.7	-4.9	-176.4	-73.4	-173.8	167	0	0	115.5
193	E	40.1	Very low	51.3	Low	178 Å²	178	127 Å²	127	83%	0.832	67%	0.671	S	S	*	*	S	Bend	trans	-136.6	77.1	176.8	-75.5	-175.3	159.4	0	0	111.3
194	T	34.6	Very low	48.5	Very low	126 Å²	126	131.9 Å²	131.9	77%	0.773	71%	0.705	S	S	*	*			trans	175.6	83.9	141.9	46.9	0	0	0	0	109	V196	T194-V196 PolarHBondContact O-N 2.71Å
195	D	36.4	Very low	45.8	Very low	177 Å²	177	133.9 Å²	133.9	95%	0.947	73%	0.73	S	S	*	*			trans	-77.7	88.4	158.9	-94	-30	0	0	0	108.5
196	V	33.8	Very low	43.5	Very low	113 Å²	113	135.2 Å²	135.2	69%	0.685	74%	0.744	S	S	*	*			trans	-136.1	122.6	160.5	-173.6	0	0	0	0	108.5	T194 S198	T194-V196 PolarHBondContact O-N 2.71Å; V196-S198 PolarHBondContact O-N 3.29Å
197	P	40.1	Very low	41.7	Very low	131 Å²	131	140.9 Å²	140.9	85%	0.851	76%	0.762	S	S	*	*			trans	-84.1	112.7	-178.8	30.9	-29.2	0	0	0	110.4
198	S	35.2	Very low	41.6	Very low	97 Å²	97	140.4 Å²	140.4	68%	0.678	78%	0.776	S	S	*	*			trans	-138	109.1	168.1	66	0	0	0	0	113.1	V196	V196-S198 PolarHBondContact O-N 3.29Å
199	S	33.2	Very low	43.1	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	76%	0.76	S	S	*	*			trans	54.5	146.7	147.4	56.5	0	0	0	0	121.1	K201	S199-K201 PolarHBondContact O-N 3Å
200	P	41.5	Very low	45.2	Very low	127 Å²	127	129 Å²	129	83%	0.825	73%	0.729	S	S	*	*			trans	-77.2	125.1	-164.8	32.3	-32.2	0	0	0	111.2
201	K	37	Very low	47.5	Very low	190 Å²	190	123.8 Å²	123.8	83%	0.826	71%	0.711	S	S	*	*			trans	-103.8	111.8	167.5	-84.8	-173	175.6	-179.6	0	109.7	S199 S203	S199-K201 PolarHBondContact O-N 3Å; K201-S203 VanDerWaalsContact C-N 3.33Å; K201-S203 PolarHBondContact O-N 3.06Å
202	D	35.9	Very low	50	Low	171 Å²	171	118.6 Å²	118.6	91%	0.914	70%	0.697	S	S	*	*			trans	-59.7	92.3	161	-72.5	-46.7	0	0	0	109.9
203	S	35.3	Very low	52.8	Low	85 Å²	85	112.2 Å²	112.2	59%	0.594	67%	0.67	S	S	*	*	S	Bend	trans	-159.8	130.1	158.3	34.2	0	0	0	0	107.2	K201 A205	K201-S203 VanDerWaalsContact C-N 3.33Å; K201-S203 PolarHBondContact O-N 3.06Å; S203-A205 PolarHBondContact O-N 3.37Å
204	P	39	Very low	55.4	Low	129 Å²	129	104.7 Å²	104.7	84%	0.838	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-63.5	117.4	-179	19.5	-20.6	0	0	0	107.9
205	A	38.7	Very low	58.4	Low	86 Å²	86	102.5 Å²	102.5	71%	0.711	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-54.3	131.2	171.5	0	0	0	0	0	108.4	S203 E207	S203-A205 PolarHBondContact O-N 3.37Å; A205-E207 PolarHBondContact O-N 2.94Å
206	P	46.7	Very low	61.2	Low	88 Å²	88	100.5 Å²	100.5	57%	0.571	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-64.2	125.2	-176.8	23.8	-30.5	0	0	0	109.2	G208	P206-G208 PolarHBondContact O-N 3.39Å; P206-G208 VanDerWaalsContact O-N 3.16Å
207	E	46.5	Very low	64.2	Low	164 Å²	164	96.4 Å²	96.4	77%	0.766	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	120.3	175.2	-72.8	-176.6	150.3	0	0	109.9	A205	A205-E207 PolarHBondContact O-N 2.94Å
208	G	63.7	Low	67	Low	68 Å²	68	91.5 Å²	91.5	70%	0.701	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.2	21.7	160.7	0	0	0	0	0	118.4	P206 W210	P206-G208 PolarHBondContact O-N 3.39Å; P206-G208 VanDerWaalsContact O-N 3.16Å; G208-W210 PolarHBondContact O-N 3.02Å
209	G	88.1	Confident	69.9	Low	35 Å²	35	87.8 Å²	87.8	36%	0.361	53%	0.527	S	S	.	.	S	Bend	trans	72.9	23.3	167.4	0	0	0	0	0	115.5	A186	A186-G209 WeakPolarHBondContact CB-O 3.46Å; A186-G209 PolarHBondContact N-O 3.23Å
210	W	94.7	Very high	73	Confident	44 Å²	44	86.7 Å²	86.7	17%	0.167	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.8	174.6	-68.3	93.3	0	0	0	110.5	F183 K184 E185 G208 R229 K231 V249	F183-W210 HydrophobicContact CB-CB 4.1Å; F183-W210 HydrophobicContact CB-CE3 3.94Å; F183-W210 HydrophobicContact CD1-CB 4.4Å; K184-W210 VanDerWaalsContact C-CE3 3.4Å; K184-W210 CarbonylContact O-C 3.54Å; K184-W210 WeakPolarHBondContact O-CA 3.36Å; E185-W210 HydrophobicContact CB-CE3 4.36Å; E185-W210 HydrophobicContact CB-CH2 4.14Å; E185-W210 HydrophobicContact CB-CZ3 3.98Å; G208-W210 PolarHBondContact O-N 3.02Å; W210-R229 HydrophobicContact CH2-CB 4.09Å; W210-K231 HydrophobicContact CD2-CB 4.17Å; W210-K231 HydrophobicContact CD2-CD 4.28Å; W210-K231 HydrophobicContact CE3-CB 3.63Å; W210-K231 HydrophobicContact CH2-CB 3.88Å; W210-K231 HydrophobicContact CZ2-CB 4.37Å; W210-K231 HydrophobicContact CZ3-CB 3.47Å; W210-K231 VanDerWaalsContact CZ3-CB 3.47Å; W210-V249 HydrophobicContact CH2-CG1 3.74Å; W210-V249 HydrophobicContact CH2-CG2 4.48Å; W210-V249 HydrophobicContact CZ2-CG1 4.02Å; W210-V249 HydrophobicContact CZ2-CG2 4.3Å
211	T	94.8	Very high	75.7	Confident	64 Å²	64	80.8 Å²	80.8	39%	0.393	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.2	176.9	-53.8	0	0	0	0	109.9	F183 K184	F183-T211 CarbonylContact C-O 3.57Å; F183-T211 WeakPolarHBondContact CA-O 3.36Å; K184-T211 PolarHBondContact N-O 2.73Å; K184-T211 PolarHBondContact O-N 3.25Å
212	Q	96.1	Very high	78.5	Confident	122 Å²	122	74 Å²	74	57%	0.57	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.3	178.2	-176.7	177.1	-27	0	0	111.2	V181 W182 F183	V181-Q212 HydrophobicContact CG1-CG 3.76Å; W182-Q212 CarbonylContact O-C 3.56Å; W182-Q212 VanDerWaalsContact O-CA 3.3Å; W182-Q212 WeakPolarHBondContact O-CA 3.45Å; F183-Q212 HydrophobicContact CD1-CB 3.91Å; F183-Q212 HydrophobicContact CE1-CB 3.9Å; F183-Q212 HydrophobicContact CE1-CG 4.41Å
213	V	96.4	Very high	81.3	Confident	52 Å²	52	71.9 Å²	71.9	32%	0.315	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	-9.1	-176	-66	0	0	0	0	114.9	W182 K184 L219	W182-V213 HydrophobicContact CB-CG2 3.81Å; W182-V213 PolarHBondContact O-N 3.26Å; K184-V213 HydrophobicContact CB-CG1 4.17Å; K184-V213 HydrophobicContact CD-CG1 3.67Å; K184-V213 HydrophobicContact CG-CG1 3.62Å; V213-L219 HydrophobicContact CG2-CD1 4.12Å; V213-L219 HydrophobicContact CG2-CD2 3.93Å
214	G	95.9	Very high	84.1	Confident	21 Å²	21	75.3 Å²	75.3	22%	0.216	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	165.3	178.2	0	0	0	0	0	113.2	V181 W182	V181-G214 WeakPolarHBondContact CA-O 3.34Å; W182-G214 PolarHBondContact N-O 2.94Å
215	C	96.9	Very high	86.8	Confident	80 Å²	80	69.8 Å²	69.8	54%	0.541	41%	0.413	S	S	.	.			trans	-129.5	5	178.1	56.7	0	0	0	0	114.2	F180	F180-C215 CarbonylContact O-C 3.57Å; F180-C215 VanDerWaalsContact O-C 3.29Å; F180-C215 WeakPolarHBondContact O-CA 3.48Å
216	E	96.6	Very high	89.6	Confident	134 Å²	134	69 Å²	69	63%	0.626	40%	0.396	S	S	*	.	S	Bend	trans	-87.4	162.1	177	-64.3	-56.3	143	0	0	111.4	F180 W182 V218	F180-E216 WeakPolarHBondContact CB-O 3.31Å; W182-E216 PolarHBondContact NE1-O 3.05Å; E216-V218 VanDerWaalsContact C-N 3.26Å; E216-V218 PolarHBondContact O-N 3.28Å
217	R	96.3	Very high	92	Very high	27 Å²	27	66.6 Å²	66.6	10%	0.102	39%	0.387	C	S	.	.	S	Bend	trans	-59.1	-39.5	174	180	175.4	169	179.7	-6.4	112.2	P166 L168 F180 W182 P347 D350 A351	P166-R217 VanDerWaalsContact CD-O 3.29Å; P166-R217 WeakPolarHBondContact CD-O 3.35Å; P166-R217 HydrophobicContact CG-CG 4.2Å; P166-R217 WeakPolarHBondContact CG-O 3.45Å; L168-R217 HydrophobicContact CD1-CG 4.38Å; F180-R217 HydrophobicContact CD2-CB 3.73Å; F180-R217 HydrophobicContact CD2-CG 4.45Å; F180-R217 HydrophobicContact CE1-CG 4.4Å; F180-R217 HydrophobicContact CE2-CB 3.71Å; F180-R217 HydrophobicContact CE2-CG 4.13Å; F180-R217 HydrophobicContact CG-CB 4.2Å; F180-R217 HydrophobicContact CZ-CB 4.19Å; F180-R217 HydrophobicContact CZ-CG 4.09Å; W182-R217 PolarHBondContact NE1-O 2.94Å; R217-P347 PolarHBondContact NH2-O 3.23Å; R217-D350 IonicContact CZ-OD2 2.95Å; R217-D350 IonicContact NH1-OD2 2.84Å; R217-D350 PolarHBondContact NH1-OD2 3.03Å; R217-D350 IonicContact NH2-OD2 3.16Å; R217-D350 PolarHBondContact NH2-OD2 2.98Å; R217-A351 HydrophobicContact CG-CB 4.44Å
218	V	97.6	Very high	94.4	Very high	28 Å²	28	59.1 Å²	59.1	17%	0.17	35%	0.353	C	S	.	.	S	Bend	trans	-103.2	138.1	-179.9	179.7	0	0	0	0	109.2	P163 E216 A351 F352	P163-V218 HydrophobicContact CB-CG1 3.66Å; E216-V218 VanDerWaalsContact C-N 3.26Å; E216-V218 PolarHBondContact O-N 3.28Å; V218-A351 HydrophobicContact CG2-CB 3.53Å; V218-F352 HydrophobicContact CG1-CZ 4.34Å; V218-F352 HydrophobicContact CG2-CZ 4.48Å
219	L	97.8	Very high	96	Very high	20 Å²	20	60 Å²	60	11%	0.105	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-114.2	137.2	169.2	-178	71.6	0	0	0	109.4	V164 W182 V213 L230	V164-L219 WeakPolarHBondContact CB-O 3.17Å; V164-L219 PolarHBondContact N-O 3.2Å; V164-L219 PolarHBondContact O-N 3.19Å; W182-L219 HydrophobicContact CB-CD1 4.31Å; W182-L219 HydrophobicContact CB-CD2 4.07Å; W182-L219 HydrophobicContact CD2-CB 3.66Å; W182-L219 HydrophobicContact CD2-CD2 3.88Å; W182-L219 HydrophobicContact CD2-CG 4.32Å; W182-L219 HydrophobicContact CE3-CB 4.15Å; W182-L219 HydrophobicContact CE3-CD2 3.77Å; W182-L219 HydrophobicContact CG-CB 3.89Å; W182-L219 HydrophobicContact CG-CD1 4.34Å; W182-L219 HydrophobicContact CG-CD2 4.03Å; W182-L219 HydrophobicContact CG-CG 4.31Å; W182-L219 HydrophobicContact CZ2-CB 4.08Å; W182-L219 HydrophobicContact CZ3-CD2 4.46Å; V213-L219 HydrophobicContact CG2-CD1 4.12Å; V213-L219 HydrophobicContact CG2-CD2 3.93Å; L219-L230 HydrophobicContact CD2-CD1 4.06Å; L219-L230 HydrophobicContact CD2-CD2 4.04Å
220	V	97.9	Very high	96.4	Very high	86 Å²	86	58.3 Å²	58.3	52%	0.521	32%	0.318	S	S	.	.			trans	-107.6	103.8	168	-176.5	0	0	0	0	107.7	P163	P163-V220 HydrophobicContact CB-CG2 4.32Å
221	P	97.2	Very high	96.6	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.013	31%	0.314	C	S	.	.			trans	-64	146	179.5	-20.2	33.6	0	0	0	110.9	A160 G161 F162 V164 D225 L230 V254	A160-P221 CarbonylContact C-O 3.54Å; A160-P221 WeakPolarHBondContact CA-O 3.18Å; G161-P221 PolarHBondContact N-O 3.08Å; F162-P221 WeakPolarHBondContact O-CD 3.42Å; V164-P221 HydrophobicContact CG2-CG 3.68Å; P221-D225 HydrophobicContact CB-CB 4.16Å; P221-L230 HydrophobicContact CG-CD1 3.96Å; P221-V254 HydrophobicContact CB-CG1 3.8Å; P221-V254 HydrophobicContact CB-CG2 3.99Å; P221-V254 HydrophobicContact CG-CG1 4.41Å; P221-V254 HydrophobicContact CG-CG2 4.17Å
222	S	96	Very high	96.8	Very high	49 Å²	49	54.2 Å²	54.2	34%	0.343	30%	0.296	S	S	.	.			trans	-94	171.4	174.7	73	0	0	0	0	111.5	Q224 D225	S222-Q224 PolarHBondContact O-N 2.76Å; S222-Q224 VanDerWaalsContact O-N 3.13Å; S222-Q224 PolarHBondContact OG-N 3.32Å; S222-D225 WeakPolarHBondContact CB-OD2 3.47Å; S222-D225 PolarHBondContact N-OD2 3.17Å; S222-D225 WeakPolarHBondContact O-CB 3.33Å; S222-D225 PolarHBondContact O-N 2.9Å; S222-D225 PolarHBondContact OG-OD2 3.38Å
223	N	95.9	Very high	96.9	Very high	125 Å²	125	53.3 Å²	53.3	67%	0.668	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-60.4	-21.6	172.3	-68.6	-15.8	0	0	0	113.2	A160 D225 I226	A160-N223 WeakPolarHBondContact CB-OD1 3.45Å; N223-D225 PolarHBondContact O-N 3.48Å; N223-I226 HydrophobicContact CB-CD1 4.27Å; N223-I226 WeakPolarHBondContact O-CG1 3.35Å
224	Q	94.5	Very high	96.9	Very high	157 Å²	157	50.8 Å²	50.8	73%	0.734	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-75.2	-12.9	175.8	-58.1	-178.3	16.7	0	0	112.9	S222	S222-Q224 PolarHBondContact O-N 2.76Å; S222-Q224 VanDerWaalsContact O-N 3.13Å; S222-Q224 PolarHBondContact OG-N 3.32Å
225	D	95.7	Very high	97	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.07	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-95.6	-5.9	-178	-53.2	-48.8	0	0	0	112	K184 P221 S222 N223 G227 C228 V254	K184-D225 WeakPolarHBondContact CD-OD1 3.45Å; K184-D225 WeakPolarHBondContact CE-OD1 3.31Å; K184-D225 IonicContact NZ-OD1 2.67Å; K184-D225 PolarHBondContact NZ-OD1 3.38Å; P221-D225 HydrophobicContact CB-CB 4.16Å; S222-D225 WeakPolarHBondContact CB-OD2 3.47Å; S222-D225 PolarHBondContact N-OD2 3.17Å; S222-D225 WeakPolarHBondContact O-CB 3.33Å; S222-D225 PolarHBondContact O-N 2.9Å; S222-D225 PolarHBondContact OG-OD2 3.38Å; N223-D225 PolarHBondContact O-N 3.48Å; D225-G227 PolarHBondContact O-N 3.44Å; D225-C228 WeakPolarHBondContact O-CB 3.19Å; D225-C228 PolarHBondContact O-N 2.8Å; D225-V254 HydrophobicContact CB-CG2 4.43Å; D225-V254 WeakPolarHBondContact O-CB 3.47Å
226	I	96.7	Very high	97	Very high	69 Å²	69	47 Å²	47	35%	0.354	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-55.7	129.9	176.6	-65.2	171.3	0	0	0	110.2	A160 N223 C228 V254 A256	A160-I226 HydrophobicContact CB-CD1 4.17Å; A160-I226 HydrophobicContact CB-CG1 3.92Å; N223-I226 HydrophobicContact CB-CD1 4.27Å; N223-I226 WeakPolarHBondContact O-CG1 3.35Å; I226-C228 VanDerWaalsContact C-N 3.28Å; I226-C228 PolarHBondContact O-N 2.96Å; I226-V254 CarbonylContact C-O 3.52Å; I226-V254 WeakPolarHBondContact CA-O 3.34Å; I226-V254 HydrophobicContact CG1-CG1 4.48Å; I226-A256 HydrophobicContact CD1-CB 4.05Å
227	G	96.5	Very high	97	Very high	39 Å²	39	42.3 Å²	42.3	40%	0.402	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-4.8	-176.3	0	0	0	0	0	114.7	D225 T253 V254	D225-G227 PolarHBondContact O-N 3.44Å; G227-T253 WeakPolarHBondContact O-CG2 3.43Å; G227-V254 PolarHBondContact N-O 3.24Å
228	C	96.4	Very high	96.9	Very high	6 Å²	6	43 Å²	43	4%	0.041	23%	0.226	C	C	.	.			trans	-89.7	145.9	173.9	-58.3	0	0	0	0	110.8	K184 D225 I226 T253 V254	K184-C228 HydrophobicContact CB-CB 4.46Å; D225-C228 WeakPolarHBondContact O-CB 3.19Å; D225-C228 PolarHBondContact O-N 2.8Å; I226-C228 VanDerWaalsContact C-N 3.28Å; I226-C228 PolarHBondContact O-N 2.96Å; C228-T253 CarbonylContact O-C 3.45Å; C228-T253 VanDerWaalsContact O-CA 3.29Å; C228-T253 WeakPolarHBondContact O-CA 3.26Å; C228-V254 PolarHBondContact O-N 2.68Å
229	R	97.3	Very high	96.6	Very high	86 Å²	86	44.5 Å²	44.5	33%	0.325	25%	0.246	S	C	.	.			trans	-80.6	157	160.7	-65.4	-173.4	-63.4	161.4	-0.5	110.7	K184 E185 W210 T253	K184-R229 WeakPolarHBondContact CA-O 3.1Å; E185-R229 HydrophobicContact CB-CB 4.4Å; E185-R229 PolarHBondContact N-O 2.71Å; E185-R229 IonicContact OE1-CZ 2.99Å; E185-R229 IonicContact OE1-NE 3.01Å; E185-R229 IonicContact OE1-NH2 2.73Å; E185-R229 PolarHBondContact OE1-NH2 2.86Å; E185-R229 IonicContact OE2-CZ 2.67Å; E185-R229 IonicContact OE2-NE 2.87Å; E185-R229 PolarHBondContact OE2-NE 3.05Å; E185-R229 IonicContact OE2-NH2 2.65Å; W210-R229 HydrophobicContact CH2-CB 4.09Å; R229-T253 HydrophobicContact CG-CG2 3.86Å
230	L	97.9	Very high	96.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.6	177.1	-58.4	177.9	0	0	0	109.9	L158 V164 W182 F183 K184 L219 P221 V249 S250 V254	L158-L230 HydrophobicContact CD1-CD1 3.96Å; L158-L230 HydrophobicContact CD1-CG 4.27Å; V164-L230 HydrophobicContact CG2-CD1 4.12Å; W182-L230 HydrophobicContact CE3-CB 4.34Å; W182-L230 HydrophobicContact CZ3-CB 4.14Å; W182-L230 HydrophobicContact CZ3-CD1 4.42Å; F183-L230 CarbonylContact O-C 3.59Å; F183-L230 WeakPolarHBondContact O-CA 3.42Å; K184-L230 HydrophobicContact CB-CD2 4.2Å; L219-L230 HydrophobicContact CD2-CD1 4.06Å; L219-L230 HydrophobicContact CD2-CD2 4.04Å; P221-L230 HydrophobicContact CG-CD1 3.96Å; L230-V249 CarbonylContact O-C 3.57Å; L230-V249 WeakPolarHBondContact O-CA 3.45Å; L230-S250 PolarHBondContact N-OG 2.77Å; L230-S250 PolarHBondContact O-N 2.94Å; L230-S250 PolarHBondContact O-OG 2.63Å; L230-V254 HydrophobicContact CD1-CG2 3.95Å; L230-V254 HydrophobicContact CD2-CG2 4.14Å; L230-V254 HydrophobicContact CG-CG2 3.94Å
231	K	98.3	Very high	95.8	Very high	21 Å²	21	48.2 Å²	48.2	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.4	171.3	-179.7	175.9	79.3	159.4	0	110	W182 F183 W210 E247 L248 V249	W182-K231 CarbonylContact C-O 3.57Å; W182-K231 WeakPolarHBondContact CA-O 3.18Å; F183-K231 HydrophobicContact CB-CB 4.24Å; F183-K231 PolarHBondContact N-O 2.73Å; F183-K231 PolarHBondContact O-N 2.78Å; W210-K231 HydrophobicContact CD2-CB 4.17Å; W210-K231 HydrophobicContact CD2-CD 4.28Å; W210-K231 HydrophobicContact CE3-CB 3.63Å; W210-K231 HydrophobicContact CH2-CB 3.88Å; W210-K231 HydrophobicContact CZ2-CB 4.37Å; W210-K231 HydrophobicContact CZ3-CB 3.47Å; W210-K231 VanDerWaalsContact CZ3-CB 3.47Å; K231-E247 WeakPolarHBondContact CD-OE2 3.33Å; K231-E247 IonicContact NZ-OE1 3.55Å; K231-E247 IonicContact NZ-OE2 2.76Å; K231-E247 PolarHBondContact NZ-OE2 3.48Å; K231-L248 CarbonylContact C-O 3.55Å; K231-L248 WeakPolarHBondContact CA-O 3.5Å; K231-L248 WeakPolarHBondContact CG-O 3.12Å; K231-V249 HydrophobicContact CB-CG2 4.16Å; K231-V249 HydrophobicContact CD-CG2 3.92Å; K231-V249 HydrophobicContact CG-CG2 3.87Å
232	L	98.4	Very high	95.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.4	170.8	173.7	59.1	0	0	0	108.8	L154 P166 F180 W182 C234 E247 L248	L154-L232 HydrophobicContact CD2-CB 4.14Å; L154-L232 HydrophobicContact CD2-CD2 4.27Å; P166-L232 HydrophobicContact CB-CD2 3.76Å; P166-L232 HydrophobicContact CG-CD2 3.79Å; F180-L232 HydrophobicContact CB-CD1 4.09Å; F180-L232 HydrophobicContact CD1-CD1 4.27Å; W182-L232 HydrophobicContact CD2-CB 4.27Å; W182-L232 HydrophobicContact CD2-CD1 4.05Å; W182-L232 HydrophobicContact CE3-CB 4.03Å; W182-L232 HydrophobicContact CG-CD1 4.33Å; W182-L232 HydrophobicContact CH2-CB 4.05Å; W182-L232 HydrophobicContact CH2-CD2 4.25Å; W182-L232 HydrophobicContact CZ2-CB 4.27Å; W182-L232 HydrophobicContact CZ2-CD1 4.16Å; W182-L232 HydrophobicContact CZ2-CD2 3.96Å; W182-L232 HydrophobicContact CZ2-CG 4.36Å; W182-L232 HydrophobicContact CZ3-CB 3.92Å; L232-C234 HydrophobicContact CD1-CB 4.46Å; L232-C234 HydrophobicContact CD2-CB 4.38Å; L232-C234 HydrophobicContact CG-CB 4.18Å; L232-E247 CarbonylContact O-C 3.59Å; L232-E247 WeakPolarHBondContact O-CA 3.39Å; L232-L248 HydrophobicContact CB-CB 4.46Å; L232-L248 HydrophobicContact CD2-CD1 4.35Å; L232-L248 PolarHBondContact N-O 2.71Å; L232-L248 PolarHBondContact O-N 2.84Å
233	R	98.3	Very high	95.4	Very high	103 Å²	103	49.5 Å²	49.5	39%	0.389	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.4	160.3	-177.2	-176.6	-75.6	168.3	-5.9	107.7	V181 F183 A245 K246 E247	V181-R233 HydrophobicContact CB-CB 4.48Å; V181-R233 PolarHBondContact N-O 3.23Å; V181-R233 PolarHBondContact O-N 3.28Å; F183-R233 HydrophobicContact CE2-CB 4.02Å; R233-A245 HydrophobicContact CG-CB 4.45Å; R233-K246 CarbonylContact C-O 3.45Å; R233-K246 WeakPolarHBondContact CA-O 3.5Å; R233-E247 HydrophobicContact CB-CG 4.22Å; R233-E247 HydrophobicContact CG-CG 4.12Å; R233-E247 IonicContact CZ-OE1 3.05Å; R233-E247 IonicContact NE-OE1 3.7Å; R233-E247 PolarHBondContact NE-OE1 3.11Å; R233-E247 IonicContact NH2-OE1 3.59Å; R233-E247 PolarHBondContact NH2-OE1 3.25Å
234	C	97.9	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.1	178.2	55.4	0	0	0	0	110.9	F149 E179 F180 L232 A245 K246	F149-C234 HydrophobicContact CE2-CB 3.7Å; F149-C234 HydrophobicContact CZ-CB 3.98Å; E179-C234 CarbonylContact O-C 3.53Å; E179-C234 VanDerWaalsContact O-CA 3.32Å; E179-C234 WeakPolarHBondContact O-CA 3.41Å; F180-C234 HydrophobicContact CD1-CB 3.75Å; F180-C234 HydrophobicContact CE1-CB 3.96Å; L232-C234 HydrophobicContact CD1-CB 4.46Å; L232-C234 HydrophobicContact CD2-CB 4.38Å; L232-C234 HydrophobicContact CG-CB 4.18Å; C234-A245 CarbonylContact O-C 3.29Å; C234-A245 VanDerWaalsContact O-CA 3.28Å; C234-A245 WeakPolarHBondContact O-CA 3.34Å; C234-K246 PolarHBondContact N-O 3.1Å; C234-K246 PolarHBondContact O-N 2.73Å
235	T	97.6	Very high	95.2	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.117	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.7	-179	-49.3	0	0	0	0	109.8	C178 E179 T242 A245	C178-T235 WeakPolarHBondContact CA-O 3.23Å; C178-T235 WeakPolarHBondContact CB-O 3.36Å; E179-T235 PolarHBondContact N-O 3.1Å; E179-T235 PolarHBondContact O-N 3.37Å; T235-T242 HydrophobicContact CG2-CG2 3.39Å; T235-A245 HydrophobicContact CG2-CB 4.23Å; T235-A245 WeakPolarHBondContact OG1-CB 3.43Å
236	P	97.4	Very high	95.2	Very high	1 Å²	1	48 Å²	48	1%	0.006	27%	0.268	C	S	.	.			trans	-74.8	140.1	-178	30.4	-31.9	0	0	0	111.2	P147 F149 V170 C178 G243 Q244	P147-P236 HydrophobicContact CB-CB 3.97Å; P147-P236 HydrophobicContact CB-CG 4.48Å; P147-P236 VanDerWaalsContact O-CG 3.23Å; P147-P236 WeakPolarHBondContact O-CG 3.31Å; F149-P236 HydrophobicContact CD1-CB 4.49Å; F149-P236 HydrophobicContact CD2-CB 3.84Å; F149-P236 HydrophobicContact CD2-CG 3.83Å; F149-P236 HydrophobicContact CE1-CB 4.4Å; F149-P236 HydrophobicContact CE2-CB 3.74Å; F149-P236 VanDerWaalsContact CE2-CD 3.43Å; F149-P236 HydrophobicContact CE2-CG 3.99Å; F149-P236 HydrophobicContact CG-CB 4.21Å; F149-P236 HydrophobicContact CG-CG 4.47Å; F149-P236 HydrophobicContact CZ-CB 4.03Å; V170-P236 HydrophobicContact CG2-CB 3.85Å; C178-P236 VanDerWaalsContact SG-CA 3.58Å; P236-G243 PolarHBondContact O-N 3.49Å; P236-Q244 VanDerWaalsContact CD-O 3.23Å; P236-Q244 WeakPolarHBondContact CD-O 3.28Å
237	K	96.4	Very high	95.2	Very high	36 Å²	36	49.2 Å²	49.2	16%	0.157	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-140.9	160.6	179	-58.3	-164.1	-175.4	178.1	0	112.3	G173 N174 D177 E179 R241 T242	G173-K237 CarbonylContact C-O 3.57Å; G173-K237 WeakPolarHBondContact CA-O 3.41Å; N174-K237 PolarHBondContact N-O 3.23Å; D177-K237 HydrophobicContact CB-CB 3.98Å; D177-K237 WeakPolarHBondContact O-CB 3.46Å; D177-K237 WeakPolarHBondContact O-CD 3.38Å; E179-K237 VanDerWaalsContact CD-CE 3.41Å; E179-K237 IonicContact OE1-NZ 3.68Å; E179-K237 PolarHBondContact OE1-NZ 3.33Å; E179-K237 WeakPolarHBondContact OE2-CE 3.32Å; E179-K237 IonicContact OE2-NZ 3.76Å; E179-K237 PolarHBondContact OE2-NZ 3.37Å; K237-R241 WeakPolarHBondContact CA-O 3.42Å; K237-T242 HydrophobicContact CG-CG2 4.44Å
238	D	93.5	Very high	95.2	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.23	26%	0.26	C	S	.	.			trans	-121.6	25.1	171.3	66.6	14.4	0	0	0	112.3	P147 F172 S240 R241	P147-D238 HydrophobicContact CG-CB 3.91Å; F172-D238 WeakPolarHBondContact O-CB 3.46Å; D238-S240 PolarHBondContact O-N 2.89Å; D238-S240 PolarHBondContact OD1-N 3.21Å; D238-S240 VanDerWaalsContact OD1-N 3.11Å; D238-S240 PolarHBondContact OD1-OG 3.04Å; D238-S240 VanDerWaalsContact OD1-OG 3.1Å; D238-R241 PolarHBondContact N-O 2.98Å; D238-R241 WeakPolarHBondContact OD1-CA 3.48Å; D238-R241 WeakPolarHBondContact OD1-CB 3.48Å; D238-R241 PolarHBondContact OD1-N 3.38Å; D238-R241 IonicContact OD2-CZ 2.84Å; D238-R241 VanDerWaalsContact OD2-CZ 3.29Å; D238-R241 IonicContact OD2-NE 3.23Å; D238-R241 PolarHBondContact OD2-NE 3.03Å; D238-R241 IonicContact OD2-NH2 3.74Å; D238-R241 PolarHBondContact OD2-NH2 3.18Å
239	G	90.1	Very high	95.3	Very high	58 Å²	58	51.3 Å²	51.3	60%	0.598	28%	0.276	S	S	*	.	S	Bend	trans	86.2	-40.8	-172.1	0	0	0	0	0	113.6	D177	D177-G239 PolarHBondContact OD2-N 3.05Å
240	S	89.1	Confident	95.3	Very high	104 Å²	104	47.4 Å²	47.4	73%	0.727	26%	0.262	S	S	*	.	S	Bend	trans	-109.4	-40.7	-175.4	68.8	0	0	0	0	113.9	D238	D238-S240 PolarHBondContact O-N 2.89Å; D238-S240 PolarHBondContact OD1-N 3.21Å; D238-S240 VanDerWaalsContact OD1-N 3.11Å; D238-S240 PolarHBondContact OD1-OG 3.04Å; D238-S240 VanDerWaalsContact OD1-OG 3.1Å
241	R	91.3	Very high	95.2	Very high	81 Å²	81	53.7 Å²	53.7	31%	0.306	30%	0.3	S	S	.	.			trans	-102.6	152.3	-178.6	-58.3	-176.6	-60.7	156.9	9.2	109.7	R144 N145 P147 K237 D238	R144-R241 PolarHBondContact O-NH1 3.04Å; N145-R241 PolarHBondContact O-NH1 3.02Å; N145-R241 PolarHBondContact O-NH2 3Å; P147-R241 HydrophobicContact CG-CB 4.2Å; K237-R241 WeakPolarHBondContact CA-O 3.42Å; D238-R241 PolarHBondContact N-O 2.98Å; D238-R241 WeakPolarHBondContact OD1-CA 3.48Å; D238-R241 WeakPolarHBondContact OD1-CB 3.48Å; D238-R241 PolarHBondContact OD1-N 3.38Å; D238-R241 IonicContact OD2-CZ 2.84Å; D238-R241 VanDerWaalsContact OD2-CZ 3.29Å; D238-R241 IonicContact OD2-NE 3.23Å; D238-R241 PolarHBondContact OD2-NE 3.03Å; D238-R241 IonicContact OD2-NH2 3.74Å; D238-R241 PolarHBondContact OD2-NH2 3.18Å
242	T	92.9	Very high	95	Very high	69 Å²	69	54 Å²	54	42%	0.423	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-122.9	127	178.6	-60.2	0	0	0	0	108.3	T235 K237	T235-T242 HydrophobicContact CG2-CG2 3.39Å; K237-T242 HydrophobicContact CG-CG2 4.44Å
243	G	91.9	Very high	94.9	Very high	9 Å²	9	56.8 Å²	56.8	9%	0.093	32%	0.324	C	S	.	.			trans	-90.2	-170.6	174.4	0	0	0	0	0	113.5	P147 P236 A245	P147-G243 VanDerWaalsContact O-CA 3.27Å; P147-G243 WeakPolarHBondContact O-CA 3.44Å; P236-G243 PolarHBondContact O-N 3.49Å; G243-A245 PolarHBondContact O-N 3.2Å
244	Q	90.6	Very high	94.9	Very high	134 Å²	134	51.9 Å²	51.9	63%	0.626	31%	0.305	S	S	*	.			trans	-74.4	125.1	-179.4	-170.9	177.1	18.1	0	0	111.2	P236	P236-Q244 VanDerWaalsContact CD-O 3.23Å; P236-Q244 WeakPolarHBondContact CD-O 3.28Å
245	A	94.1	Very high	94.9	Very high	48 Å²	48	56.9 Å²	56.9	40%	0.397	33%	0.329	S	S	.	.			trans	-64.6	141.9	173.9	0	0	0	0	0	111.7	R233 C234 T235 G243	R233-A245 HydrophobicContact CG-CB 4.45Å; C234-A245 CarbonylContact O-C 3.29Å; C234-A245 VanDerWaalsContact O-CA 3.28Å; C234-A245 WeakPolarHBondContact O-CA 3.34Å; T235-A245 HydrophobicContact CG2-CB 4.23Å; T235-A245 WeakPolarHBondContact OG1-CB 3.43Å; G243-A245 PolarHBondContact O-N 3.2Å
246	K	95.6	Very high	94.9	Very high	81 Å²	81	59.1 Å²	59.1	35%	0.352	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.7	170.7	-72.3	-172.4	173.1	178.5	0	109.8	F149 A152 R233 C234	F149-K246 HydrophobicContact CB-CD 4.02Å; F149-K246 PolarHBondContact O-NZ 3.23Å; A152-K246 HydrophobicContact CB-CD 3.85Å; R233-K246 CarbonylContact C-O 3.45Å; R233-K246 WeakPolarHBondContact CA-O 3.5Å; C234-K246 PolarHBondContact N-O 3.1Å; C234-K246 PolarHBondContact O-N 2.73Å
247	E	96.9	Very high	94.8	Very high	95 Å²	95	60.1 Å²	60.1	44%	0.444	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.8	168.8	-66.4	-165.5	-174.8	0	0	109.4	K231 L232 R233	K231-E247 WeakPolarHBondContact CD-OE2 3.33Å; K231-E247 IonicContact NZ-OE1 3.55Å; K231-E247 IonicContact NZ-OE2 2.76Å; K231-E247 PolarHBondContact NZ-OE2 3.48Å; L232-E247 CarbonylContact O-C 3.59Å; L232-E247 WeakPolarHBondContact O-CA 3.39Å; R233-E247 HydrophobicContact CB-CG 4.22Å; R233-E247 HydrophobicContact CG-CG 4.12Å; R233-E247 IonicContact CZ-OE1 3.05Å; R233-E247 IonicContact NE-OE1 3.7Å; R233-E247 PolarHBondContact NE-OE1 3.11Å; R233-E247 IonicContact NH2-OE1 3.59Å; R233-E247 PolarHBondContact NH2-OE1 3.25Å
248	L	97.6	Very high	94.7	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.7	177.5	-50.2	178.1	0	0	0	108.2	A152 L154 K231 L232	A152-L248 HydrophobicContact CB-CD1 4.04Å; A152-L248 HydrophobicContact CB-CD2 4.11Å; A152-L248 WeakPolarHBondContact O-CD2 3.04Å; L154-L248 HydrophobicContact CD1-CB 3.77Å; L154-L248 HydrophobicContact CG-CB 3.82Å; L154-L248 HydrophobicContact CG-CD1 4.16Å; K231-L248 CarbonylContact C-O 3.55Å; K231-L248 WeakPolarHBondContact CA-O 3.5Å; K231-L248 WeakPolarHBondContact CG-O 3.12Å; L232-L248 HydrophobicContact CB-CB 4.46Å; L232-L248 HydrophobicContact CD2-CD1 4.35Å; L232-L248 PolarHBondContact N-O 2.71Å; L232-L248 PolarHBondContact O-N 2.84Å
249	V	97.7	Very high	94.7	Very high	62 Å²	62	60.7 Å²	60.7	38%	0.376	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.2	174.9	-179.9	0	0	0	0	108.3	W210 L230 K231	W210-V249 HydrophobicContact CH2-CG1 3.74Å; W210-V249 HydrophobicContact CH2-CG2 4.48Å; W210-V249 HydrophobicContact CZ2-CG1 4.02Å; W210-V249 HydrophobicContact CZ2-CG2 4.3Å; L230-V249 CarbonylContact O-C 3.57Å; L230-V249 WeakPolarHBondContact O-CA 3.45Å; K231-V249 HydrophobicContact CB-CG2 4.16Å; K231-V249 HydrophobicContact CD-CG2 3.92Å; K231-V249 HydrophobicContact CG-CG2 3.87Å
250	S	97.4	Very high	94.9	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.021	38%	0.38	C	S	.	.			trans	-63	140.8	177.7	68	0	0	0	0	110.8	L230 A252	L230-S250 PolarHBondContact N-OG 2.77Å; L230-S250 PolarHBondContact O-N 2.94Å; L230-S250 PolarHBondContact O-OG 2.63Å; S250-A252 WeakPolarHBondContact CB-O 3.47Å; S250-A252 PolarHBondContact OG-O 2.81Å
251	V	95.3	Very high	95.3	Very high	133 Å²	133	57.9 Å²	57.9	81%	0.806	35%	0.346	S	S	*	.	S	Bend	trans	-73.6	-43.4	175.9	-179.5	0	0	0	0	110.1
252	A	94.1	Very high	95.7	Very high	28 Å²	28	54.3 Å²	54.3	23%	0.231	33%	0.333	C	S	.	.	S	Bend	trans	-94.3	163.5	176	0	0	0	0	0	112.2	V156 S250	V156-A252 VanDerWaalsContact O-CB 3.27Å; V156-A252 WeakPolarHBondContact O-CB 3.47Å; S250-A252 WeakPolarHBondContact CB-O 3.47Å; S250-A252 PolarHBondContact OG-O 2.81Å
253	T	97	Very high	95.9	Very high	58 Å²	58	51 Å²	51	36%	0.356	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-86.6	159	167.9	54	0	0	0	0	110.8	G227 C228 R229 E255	G227-T253 WeakPolarHBondContact O-CG2 3.43Å; C228-T253 CarbonylContact O-C 3.45Å; C228-T253 VanDerWaalsContact O-CA 3.29Å; C228-T253 WeakPolarHBondContact O-CA 3.26Å; R229-T253 HydrophobicContact CG-CG2 3.86Å; T253-E255 PolarHBondContact O-N 2.81Å
254	V	98	Very high	96.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-62.6	129.5	171.5	-179.9	0	0	0	0	110.3	L158 A160 P221 D225 I226 G227 C228 L230	L158-V254 HydrophobicContact CB-CG2 4.3Å; L158-V254 HydrophobicContact CD1-CG2 4.41Å; A160-V254 HydrophobicContact CB-CG1 4.16Å; P221-V254 HydrophobicContact CB-CG1 3.8Å; P221-V254 HydrophobicContact CB-CG2 3.99Å; P221-V254 HydrophobicContact CG-CG1 4.41Å; P221-V254 HydrophobicContact CG-CG2 4.17Å; D225-V254 HydrophobicContact CB-CG2 4.43Å; D225-V254 WeakPolarHBondContact O-CB 3.47Å; I226-V254 CarbonylContact C-O 3.52Å; I226-V254 WeakPolarHBondContact CA-O 3.34Å; I226-V254 HydrophobicContact CG1-CG1 4.48Å; G227-V254 PolarHBondContact N-O 3.24Å; C228-V254 PolarHBondContact O-N 2.68Å; L230-V254 HydrophobicContact CD1-CG2 3.95Å; L230-V254 HydrophobicContact CD2-CG2 4.14Å; L230-V254 HydrophobicContact CG-CG2 3.94Å
255	E	97.8	Very high	96.5	Very high	104 Å²	104	50.9 Å²	50.9	49%	0.486	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-99.7	165	175.9	-63.9	-179.1	-142.6	0	0	111.5	L158 M159 A160 T253	L158-E255 PolarHBondContact O-N 3.1Å; M159-E255 WeakPolarHBondContact CA-O 3.28Å; A160-E255 PolarHBondContact N-O 3.16Å; T253-E255 PolarHBondContact O-N 2.81Å
256	A	97.4	Very high	96.7	Very high	66 Å²	66	48.9 Å²	48.9	55%	0.545	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-69.5	136.1	171.1	0	0	0	0	0	110.1	I226	I226-A256 HydrophobicContact CD1-CB 4.05Å
257	G	95.6	Very high	96.9	Very high	23 Å²	23	46.3 Å²	46.3	24%	0.237	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-73.4	173	169.4	0	0	0	0	0	112.6	G259	G257-G259 PolarHBondContact O-N 3.37Å
258	P	94.6	Very high	96.9	Very high	37 Å²	37	44.8 Å²	44.8	24%	0.24	29%	0.29	C	S	.	.			trans	-64.1	-4.4	178.6	21.2	-32.2	0	0	0	116.5	F162 C261 Y314 L318 V581	F162-P258 HydrophobicContact CE2-CG 4.27Å; F162-P258 HydrophobicContact CZ-CG 3.81Å; P258-C261 VanDerWaalsContact CG-SG 3.58Å; P258-Y314 VanDerWaalsContact CB-OH 3.32Å; P258-Y314 WeakPolarHBondContact CB-OH 3.36Å; P258-L318 HydrophobicContact CG-CD1 4.39Å; P258-V581 WeakPolarHBondContact CB-O 3.33Å
259	G	93.1	Very high	96.9	Very high	54 Å²	54	49.3 Å²	49.3	56%	0.557	31%	0.306	S	S	*	.	S	Bend	trans	84	-125.8	-163.5	0	0	0	0	0	110.2	G257	G257-G259 PolarHBondContact O-N 3.37Å
260	V	94.8	Very high	97	Very high	102 Å²	102	46.4 Å²	46.4	62%	0.618	29%	0.288	S	S	*	.	S	Bend	trans	-82.2	126.4	-177.5	-178.3	0	0	0	0	110.3	D264 A582	V260-D264 WeakPolarHBondContact CA-OD2 3.48Å; V260-D264 HydrophobicContact CG1-CB 4.46Å; V260-A582 WeakPolarHBondContact O-CB 3.43Å
261	C	98.5	Very high	96.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	32%	0.321	C	S	.	.			trans	-96.9	153.9	169.9	-71.6	0	0	0	0	110.8	P258 F263 D264 A582	P258-C261 VanDerWaalsContact CG-SG 3.58Å; C261-F263 HydrophobicContact CB-CD1 3.9Å; C261-F263 HydrophobicContact CB-CD2 3.9Å; C261-F263 HydrophobicContact CB-CE1 3.48Å; C261-F263 VanDerWaalsContact CB-CE1 3.48Å; C261-F263 HydrophobicContact CB-CE2 3.46Å; C261-F263 VanDerWaalsContact CB-CE2 3.46Å; C261-F263 HydrophobicContact CB-CG 4.11Å; C261-F263 HydrophobicContact CB-CZ 3.25Å; C261-F263 PolarHBondContact O-N 3.35Å; C261-F263 WeakPolarHBondContact SG-CZ 3.33Å; C261-D264 PolarHBondContact N-OD2 3.2Å; C261-D264 WeakPolarHBondContact O-CB 3.39Å; C261-D264 PolarHBondContact O-N 3.46Å; C261-A582 WeakPolarHBondContact CA-O 3.5Å
262	T	98.3	Very high	96.8	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.031	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	-179	61.2	0	0	0	0	113.8	P567 E571 A582 H583	T262-P567 HydrophobicContact CG2-CB 4.46Å; T262-E571 HydrophobicContact CG2-CB 4.39Å; T262-A582 PolarHBondContact N-O 2.95Å; T262-A582 VanDerWaalsContact N-O 3.1Å; T262-H583 HydrophobicContact CG2-CB 4.04Å; T262-H583 PolarHBondContact OG1-ND1 2.89Å
263	F	98.5	Very high	96.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-11	177.8	52.4	-107.5	0	0	0	113.4	F162 C261 N265 R266 H267 L318 K321 E322	F162-F263 HydrophobicContact CE1-CZ 4.35Å; C261-F263 HydrophobicContact CB-CD1 3.9Å; C261-F263 HydrophobicContact CB-CD2 3.9Å; C261-F263 HydrophobicContact CB-CE1 3.48Å; C261-F263 VanDerWaalsContact CB-CE1 3.48Å; C261-F263 HydrophobicContact CB-CE2 3.46Å; C261-F263 VanDerWaalsContact CB-CE2 3.46Å; C261-F263 HydrophobicContact CB-CG 4.11Å; C261-F263 HydrophobicContact CB-CZ 3.25Å; C261-F263 PolarHBondContact O-N 3.35Å; C261-F263 WeakPolarHBondContact SG-CZ 3.33Å; F263-N265 PolarHBondContact O-N 3.32Å; F263-R266 WeakPolarHBondContact O-CA 3.37Å; F263-R266 WeakPolarHBondContact O-CB 3.41Å; F263-R266 PolarHBondContact O-N 2.64Å; F263-R266 VanDerWaalsContact O-N 3.08Å; F263-H267 AromaticContact CD2-CE1 3.44Å; F263-H267 VanDerWaalsContact CD2-CE1 3.44Å; F263-H267 WeakPolarHBondContact CD2-CE1 3.15Å; F263-H267 AromaticContact CD2-ND1 3.96Å; F263-H267 PolarHBondContact O-CD2 2.82Å; F263-H267 PolarHBondContact O-N 2.87Å; F263-L318 HydrophobicContact CE1-CB 4.17Å; F263-L318 HydrophobicContact CE1-CG 4.32Å; F263-L318 HydrophobicContact CZ-CB 4.39Å; F263-L318 HydrophobicContact CZ-CG 4.35Å; F263-K321 HydrophobicContact CE2-CB 4.23Å; F263-K321 HydrophobicContact CE2-CD 3.72Å; F263-K321 HydrophobicContact CE2-CG 3.88Å; F263-K321 HydrophobicContact CZ-CB 4.26Å; F263-K321 HydrophobicContact CZ-CD 4.13Å; F263-K321 HydrophobicContact CZ-CG 4.36Å; F263-E322 HydrophobicContact CB-CB 4.31Å; F263-E322 HydrophobicContact CB-CG 3.76Å; F263-E322 HydrophobicContact CD1-CB 3.56Å; F263-E322 VanDerWaalsContact CD1-CD 3.45Å; F263-E322 HydrophobicContact CD1-CG 3.71Å; F263-E322 WeakPolarHBondContact CD1-OE2 3.25Å; F263-E322 HydrophobicContact CD2-CB 4.21Å; F263-E322 HydrophobicContact CE1-CB 3.8Å; F263-E322 HydrophobicContact CE1-CG 4.44Å; F263-E322 HydrophobicContact CE2-CB 4.43Å; F263-E322 HydrophobicContact CG-CB 3.76Å; F263-E322 HydrophobicContact CG-CG 3.76Å; F263-E322 HydrophobicContact CZ-CB 4.23Å
264	D	97.9	Very high	96.4	Very high	44 Å²	44	54.9 Å²	54.9	24%	0.235	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-42.5	-176.9	-70.9	-25	0	0	0	111.3	V260 C261 R266 H267 K321	V260-D264 WeakPolarHBondContact CA-OD2 3.48Å; V260-D264 HydrophobicContact CG1-CB 4.46Å; C261-D264 PolarHBondContact N-OD2 3.2Å; C261-D264 WeakPolarHBondContact O-CB 3.39Å; C261-D264 PolarHBondContact O-N 3.46Å; D264-R266 VanDerWaalsContact C-N 3.3Å; D264-R266 PolarHBondContact O-N 3.1Å; D264-H267 PolarHBondContact O-N 3.27Å; D264-K321 IonicContact OD1-NZ 3.99Å; D264-K321 PolarHBondContact OD1-NZ 2.94Å; D264-K321 IonicContact OD2-NZ 2.72Å
265	N	97.1	Very high	96	Very high	97 Å²	97	58.6 Å²	58.6	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-33.3	173.9	-73.8	-30.6	0	0	0	112.1	F263 H267 A268 E571	F263-N265 PolarHBondContact O-N 3.32Å; N265-H267 VanDerWaalsContact C-N 3.33Å; N265-A268 VanDerWaalsContact O-CB 3.32Å; N265-A268 WeakPolarHBondContact O-CB 3.47Å; N265-A268 PolarHBondContact O-N 3.33Å; N265-E571 PolarHBondContact ND2-OE1 2.81Å
266	R	98.5	Very high	95.4	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.019	34%	0.339	C	S	.	.	H	α-helix	trans	-69.4	-34.4	178.8	-52.8	-177.1	75.4	-165	4.5	111.3	F263 D264 A268 Y269 Y326 I564 P565 A589	F263-R266 WeakPolarHBondContact O-CA 3.37Å; F263-R266 WeakPolarHBondContact O-CB 3.41Å; F263-R266 PolarHBondContact O-N 2.64Å; F263-R266 VanDerWaalsContact O-N 3.08Å; D264-R266 VanDerWaalsContact C-N 3.3Å; D264-R266 PolarHBondContact O-N 3.1Å; R266-A268 PolarHBondContact O-N 2.89Å; R266-Y269 WeakPolarHBondContact O-CB 3.48Å; R266-Y269 PolarHBondContact O-N 2.81Å; R266-Y326 HydrophobicContact CB-CE1 3.97Å; R266-Y326 PolarHBondContact NH1-OH 3Å; R266-I564 HydrophobicContact CB-CG2 3.9Å; R266-I564 PolarHBondContact NH2-O 3.19Å; R266-P565 PolarHBondContact NE-O 2.81Å; R266-A589 VanDerWaalsContact CZ-O 3.23Å; R266-A589 PolarHBondContact NH1-O 3.11Å; R266-A589 PolarHBondContact NH2-O 3.06Å
267	H	98.6	Very high	94.9	Very high	27 Å²	27	57.7 Å²	57.7	13%	0.125	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-21.9	176.2	-69.4	170.3	0	0	0	113.8	F263 D264 N265 Y269 T270 L271 K321 E322 G325 Y326	F263-H267 AromaticContact CD2-CE1 3.44Å; F263-H267 VanDerWaalsContact CD2-CE1 3.44Å; F263-H267 WeakPolarHBondContact CD2-CE1 3.15Å; F263-H267 AromaticContact CD2-ND1 3.96Å; F263-H267 PolarHBondContact O-CD2 2.82Å; F263-H267 PolarHBondContact O-N 2.87Å; D264-H267 PolarHBondContact O-N 3.27Å; N265-H267 VanDerWaalsContact C-N 3.33Å; H267-Y269 PolarHBondContact O-N 2.94Å; H267-T270 WeakPolarHBondContact CA-OG1 3.38Å; H267-T270 CarbonylContact O-C 3.53Å; H267-T270 PolarHBondContact O-N 2.9Å; H267-T270 PolarHBondContact O-OG1 3.42Å; H267-L271 PolarHBondContact O-N 2.82Å; H267-K321 PolarHBondContact CE1-O 2.91Å; H267-K321 VanDerWaalsContact CE1-O 3.23Å; H267-E322 PolarHBondContact NE2-O 3.45Å; H267-G325 VanDerWaalsContact CD2-C 3.45Å; H267-G325 WeakPolarHBondContact NE2-CA 3.44Å; H267-Y326 AromaticContact CD2-CD1 3.65Å; H267-Y326 AromaticContact CD2-CE1 3.72Å; H267-Y326 AromaticContact NE2-CD1 3.95Å; H267-Y326 AromaticContact NE2-CE1 3.95Å
268	A	97.4	Very high	94.8	Very high	64 Å²	64	57 Å²	57	53%	0.529	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.4	172.8	0	0	0	0	0	112.9	N265 R266	N265-A268 VanDerWaalsContact O-CB 3.32Å; N265-A268 WeakPolarHBondContact O-CB 3.47Å; N265-A268 PolarHBondContact O-N 3.33Å; R266-A268 PolarHBondContact O-N 2.89Å
269	Y	98.1	Very high	94.8	Very high	122 Å²	122	55.3 Å²	55.3	48%	0.478	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-13.8	175.9	-62.6	-94.6	0	0	0	112.6	R266 H267 P565	R266-Y269 WeakPolarHBondContact O-CB 3.48Å; R266-Y269 PolarHBondContact O-N 2.81Å; H267-Y269 PolarHBondContact O-N 2.94Å; Y269-P565 HydrophobicContact CD2-CG 4.13Å; Y269-P565 HydrophobicContact CE1-CG 4.27Å; Y269-P565 HydrophobicContact CE2-CG 3.63Å
270	T	98.1	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.			trans	-123.9	23.6	-171.2	63.4	0	0	0	0	113.3	H267 R272 R280 G325 Y326 N327 I564	H267-T270 WeakPolarHBondContact CA-OG1 3.38Å; H267-T270 CarbonylContact O-C 3.53Å; H267-T270 PolarHBondContact O-N 2.9Å; H267-T270 PolarHBondContact O-OG1 3.42Å; T270-R272 PolarHBondContact O-N 2.8Å; T270-R280 VanDerWaalsContact CB-NH1 3.28Å; T270-G325 PolarHBondContact OG1-O 2.56Å; T270-Y326 VanDerWaalsContact CB-O 3.31Å; T270-Y326 WeakPolarHBondContact CB-O 3.26Å; T270-Y326 HydrophobicContact CG2-CD1 4.14Å; T270-Y326 WeakPolarHBondContact OG1-CA 3.41Å; T270-N327 PolarHBondContact O-ND2 2.68Å; T270-I564 HydrophobicContact CG2-CD1 4.44Å; T270-I564 HydrophobicContact CG2-CG1 3.71Å
271	L	95.3	Very high	95.2	Very high	136 Å²	136	48.2 Å²	48.2	71%	0.712	26%	0.256	S	S	*	.	S	Bend	trans	-53.2	-26.5	-177.9	-67.9	173.3	0	0	0	114.2	H267	H267-L271 PolarHBondContact O-N 2.82Å
272	R	93.3	Very high	95.2	Very high	209 Å²	209	48.1 Å²	48.1	79%	0.789	26%	0.256	S	S	*	.	S	Bend	trans	-131.2	155.1	177.9	-60.5	-177.9	-177.9	177.2	0.9	109.6	T270 R280	T270-R272 PolarHBondContact O-N 2.8Å; R272-R280 PolarHBondContact O-NH1 2.86Å
273	A	92.8	Very high	95.3	Very high	46 Å²	46	47.9 Å²	47.9	38%	0.38	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-57.5	144.8	167	0	0	0	0	0	110	A275 N327	A273-A275 PolarHBondContact O-N 2.71Å; A273-N327 HydrophobicContact CB-CB 4.47Å
274	A	91.7	Very high	95.3	Very high	9 Å²	9	47.9 Å²	47.9	7%	0.074	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-59.8	133.2	176.5	0	0	0	0	0	109.9	A278 R280 K376	A274-A278 HydrophobicContact CB-CB 4.07Å; A274-R280 HydrophobicContact CB-CB 4.19Å; A274-K376 PolarHBondContact O-NZ 2.94Å
275	A	89.6	Confident	95.3	Very high	80 Å²	80	45.8 Å²	45.8	66%	0.661	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-71.7	133.3	178.4	0	0	0	0	0	109.7	A273 A278	A273-A275 PolarHBondContact O-N 2.71Å; A275-A278 WeakPolarHBondContact O-CA 3.29Å; A275-A278 WeakPolarHBondContact O-CB 3.34Å; A275-A278 PolarHBondContact O-N 2.95Å
276	W	83.8	Confident	95.4	Very high	95 Å²	95	41.2 Å²	41.2	36%	0.36	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	137	173.7	-174.7	-101.3	0	0	0	110.7	L279 K376 D428 A430	W276-L279 HydrophobicContact CE3-CD2 4.33Å; W276-L279 HydrophobicContact CZ3-CD2 3.77Å; W276-K376 HydrophobicContact CE3-CD 4.2Å; W276-D428 HydrophobicContact CH2-CB 4.03Å; W276-D428 VanDerWaalsContact CH2-OD1 3.31Å; W276-D428 WeakPolarHBondContact CH2-OD1 3.29Å; W276-D428 WeakPolarHBondContact CH2-OD2 3.38Å; W276-D428 VanDerWaalsContact CZ2-CG 3.42Å; W276-D428 WeakPolarHBondContact CZ2-OD2 3.21Å; W276-A430 HydrophobicContact CZ2-CB 4.43Å
277	P	87.6	Confident	95.4	Very high	55 Å²	55	41.1 Å²	41.1	36%	0.357	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.3	10.4	10	36.8	-36.6	0	0	0	115.9	L595 W596	P277-L595 HydrophobicContact CG-CD2 4.28Å; P277-W596 VanDerWaalsContact O-CD1 3.28Å
278	A	92.4	Very high	95.4	Very high	10 Å²	10	39.9 Å²	39.9	8%	0.083	21%	0.213	C	C	.	.			trans	-70	145.8	176.5	0	0	0	0	0	112.4	A274 A275 K376 L594 L595	A274-A278 HydrophobicContact CB-CB 4.07Å; A275-A278 WeakPolarHBondContact O-CA 3.29Å; A275-A278 WeakPolarHBondContact O-CB 3.34Å; A275-A278 PolarHBondContact O-N 2.95Å; A278-K376 PolarHBondContact O-NZ 3.37Å; A278-L594 CarbonylContact C-O 3.56Å; A278-L594 VanDerWaalsContact CA-O 3.26Å; A278-L594 WeakPolarHBondContact CA-O 3.49Å; A278-L595 HydrophobicContact CB-CD2 3.69Å; A278-L595 HydrophobicContact CB-CG 4.39Å
279	L	94.6	Very high	95.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.4	179.1	-57.3	-177.4	0	0	0	109.6	W276 D329 K376 F377 M558 D593 L594 W596	W276-L279 HydrophobicContact CE3-CD2 4.33Å; W276-L279 HydrophobicContact CZ3-CD2 3.77Å; L279-D329 WeakPolarHBondContact CA-OD2 3.47Å; L279-K376 HydrophobicContact CD2-CD 4.45Å; L279-F377 HydrophobicContact CD1-CZ 3.92Å; L279-F377 HydrophobicContact CD2-CE2 3.73Å; L279-F377 HydrophobicContact CD2-CZ 3.45Å; L279-F377 VanDerWaalsContact CD2-CZ 3.45Å; L279-F377 HydrophobicContact CG-CZ 4.33Å; L279-M558 HydrophobicContact CD1-CE 4.35Å; L279-D593 CarbonylContact O-C 3.6Å; L279-D593 WeakPolarHBondContact O-CA 3.38Å; L279-L594 PolarHBondContact N-O 2.69Å; L279-L594 PolarHBondContact O-N 3.22Å; L279-W596 HydrophobicContact CD1-CZ2 3.99Å; L279-W596 VanDerWaalsContact CD1-NE1 3.27Å
280	R	98.6	Very high	95.1	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.4	169.6	-177.7	168.1	-66.4	143.7	10.2	110.8	T270 R272 A274 Y326 A328 D329 I330 V591 C592 D593	T270-R280 VanDerWaalsContact CB-NH1 3.28Å; R272-R280 PolarHBondContact O-NH1 2.86Å; A274-R280 HydrophobicContact CB-CB 4.19Å; R280-Y326 WeakPolarHBondContact CD-O 3.47Å; R280-Y326 PolarHBondContact NH1-O 2.89Å; R280-A328 HydrophobicContact CG-CB 4.08Å; R280-D329 PolarHBondContact N-OD2 2.71Å; R280-D329 WeakPolarHBondContact O-CA 3.37Å; R280-D329 PolarHBondContact O-N 2.93Å; R280-I330 PolarHBondContact O-N 2.75Å; R280-V591 HydrophobicContact CG-CG1 3.95Å; R280-C592 WeakPolarHBondContact CA-O 3.47Å; R280-D593 VanDerWaalsContact CB-OD1 3.23Å; R280-D593 WeakPolarHBondContact CB-OD1 3.3Å; R280-D593 VanDerWaalsContact CG-OD1 3.23Å; R280-D593 WeakPolarHBondContact CG-OD1 3.44Å; R280-D593 IonicContact CZ-OD1 2.94Å; R280-D593 IonicContact CZ-OD2 2.81Å; R280-D593 IonicContact NE-OD1 3.76Å; R280-D593 PolarHBondContact NE-OD1 2.85Å; R280-D593 IonicContact NE-OD2 3.57Å; R280-D593 IonicContact NH2-OD1 3.86Å; R280-D593 PolarHBondContact NH2-OD1 2.84Å; R280-D593 IonicContact NH2-OD2 2.64Å; R280-D593 PolarHBondContact NH2-OD2 3.2Å
281	V	98.9	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.8	-179.4	-173.4	0	0	0	0	110.1	I330 V479 I551 V591 C592 L594	V281-I330 CarbonylContact C-O 3.52Å; V281-I330 WeakPolarHBondContact CA-O 3.39Å; V281-I330 HydrophobicContact CG1-CB 4.42Å; V281-I330 HydrophobicContact CG1-CG2 4.37Å; V281-I330 HydrophobicContact CG2-CB 4.36Å; V281-V479 HydrophobicContact CG1-CG1 3.94Å; V281-V479 HydrophobicContact CG2-CG1 4.36Å; V281-I551 HydrophobicContact CB-CD1 4.48Å; V281-I551 HydrophobicContact CG1-CD1 4.18Å; V281-I551 HydrophobicContact CG1-CG2 4.11Å; V281-V591 WeakPolarHBondContact O-CA 3.39Å; V281-C592 PolarHBondContact N-O 3.17Å; V281-C592 PolarHBondContact O-N 3.45Å; V281-C592 VanDerWaalsContact O-N 3.1Å; V281-L594 HydrophobicContact CB-CD1 4.48Å; V281-L594 HydrophobicContact CG2-CD1 3.68Å; V281-L594 HydrophobicContact CG2-CG 4.21Å
282	V	98.9	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.9	173.6	178.1	0	0	0	0	109.7	L323 Y326 A328 I330 I331 C332 A589 L590 V591	V282-L323 HydrophobicContact CG1-CD2 4.21Å; V282-Y326 HydrophobicContact CG2-CD2 4.24Å; V282-A328 HydrophobicContact CG2-CB 3.53Å; V282-I330 PolarHBondContact N-O 3.11Å; V282-I331 HydrophobicContact CB-CB 4.31Å; V282-I331 HydrophobicContact CB-CG1 4.19Å; V282-I331 HydrophobicContact CB-CG2 4.02Å; V282-I331 HydrophobicContact CG1-CG2 4.05Å; V282-I331 HydrophobicContact CG2-CG1 4.32Å; V282-C332 PolarHBondContact O-N 2.8Å; V282-A589 HydrophobicContact CG1-CB 4.4Å; V282-L590 CarbonylContact C-O 3.59Å; V282-L590 VanDerWaalsContact CA-O 3.23Å; V282-L590 WeakPolarHBondContact CA-O 3.32Å; V282-V591 HydrophobicContact CG1-CG2 4.42Å; V282-V591 HydrophobicContact CG2-CB 4.45Å; V282-V591 HydrophobicContact CG2-CG1 4Å; V282-V591 HydrophobicContact CG2-CG2 4Å
283	S	98.9	Very high	94.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.2	162.3	-172.3	0	0	0	0	109.3	C332 Q334 G482 L590	S283-C332 CarbonylContact C-O 3.56Å; S283-C332 VanDerWaalsContact CA-O 3.29Å; S283-C332 WeakPolarHBondContact CA-O 3.36Å; S283-Q334 PolarHBondContact OG-NE2 2.97Å; S283-G482 PolarHBondContact OG-N 2.87Å; S283-L590 PolarHBondContact N-O 2.97Å; S283-L590 PolarHBondContact O-N 3.38Å
284	Y	98.9	Very high	94.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	118.5	-176.8	-166.6	-162.4	0	0	0	114.3	I286 L323 C332 L333 Q334 H583 S585 H587 A589	Y284-I286 HydrophobicContact CD1-CG2 3.62Å; Y284-I286 HydrophobicContact CE1-CG2 4.04Å; Y284-I286 HydrophobicContact CG-CG2 3.95Å; Y284-I286 PolarHBondContact O-N 3.23Å; Y284-L323 HydrophobicContact CD1-CD2 4.29Å; Y284-C332 PolarHBondContact N-O 2.8Å; Y284-L333 VanDerWaalsContact O-CA 3.25Å; Y284-L333 WeakPolarHBondContact O-CA 3.44Å; Y284-Q334 PolarHBondContact O-N 3.43Å; Y284-Q334 PolarHBondContact O-OE1 3.02Å; Y284-H583 PolarHBondContact OH-NE2 3.14Å; Y284-S585 VanDerWaalsContact OH-CB 3.23Å; Y284-S585 WeakPolarHBondContact OH-CB 3.44Å; Y284-H587 HydrophobicContact CD2-CB 4.45Å; Y284-H587 HydrophobicContact CE2-CB 4.23Å; Y284-H587 VanDerWaalsContact CE2-O 3.25Å; Y284-H587 WeakPolarHBondContact CE2-O 3.17Å; Y284-H587 PolarHBondContact OH-O 3.16Å; Y284-A589 HydrophobicContact CD1-CB 3.68Å; Y284-A589 HydrophobicContact CD2-CB 3.83Å; Y284-A589 HydrophobicContact CE1-CB 4.08Å; Y284-A589 HydrophobicContact CE2-CB 4.23Å; Y284-A589 HydrophobicContact CG-CB 3.54Å
285	N	98.9	Very high	94.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.7	163.1	-178.7	-23.8	0	0	0	108.8	L287 Q334 E335 D483 S585 H587	N285-L287 PolarHBondContact OD1-N 3.32Å; N285-Q334 HydrophobicContact CB-CB 4.11Å; N285-E335 PolarHBondContact ND2-OE1 2.78Å; N285-E335 VanDerWaalsContact OD1-CB 3.25Å; N285-E335 WeakPolarHBondContact OD1-CB 3.22Å; N285-E335 VanDerWaalsContact OD1-CG 3.25Å; N285-E335 WeakPolarHBondContact OD1-CG 3.42Å; N285-E335 PolarHBondContact OD1-OE1 3.42Å; N285-D483 HydrophobicContact CB-CB 4.49Å; N285-D483 PolarHBondContact ND2-OD2 2.95Å; N285-S585 WeakPolarHBondContact O-CB 3.35Å; N285-S585 PolarHBondContact O-OG 2.88Å; N285-H587 HydrophobicContact CB-CB 4.02Å
286	I	98.8	Very high	94.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.17	C	C	.	.			trans	-97.8	11.2	-171.9	64.5	167.3	0	0	0	114.3	Y284 R315 V319 L333 Q334 V336 V340 L345	Y284-I286 HydrophobicContact CD1-CG2 3.62Å; Y284-I286 HydrophobicContact CE1-CG2 4.04Å; Y284-I286 HydrophobicContact CG-CG2 3.95Å; Y284-I286 PolarHBondContact O-N 3.23Å; I286-R315 PolarHBondContact O-NH1 3.11Å; I286-V319 HydrophobicContact CG2-CG1 4.24Å; I286-L333 HydrophobicContact CG2-CD2 4.03Å; I286-Q334 WeakPolarHBondContact CG1-O 3.35Å; I286-Q334 PolarHBondContact N-O 3.41Å; I286-Q334 VanDerWaalsContact N-O 3.07Å; I286-V336 HydrophobicContact CD1-CB 4.4Å; I286-V336 HydrophobicContact CD1-CG1 4.39Å; I286-V336 HydrophobicContact CD1-CG2 3.89Å; I286-V336 HydrophobicContact CG1-CG2 4.2Å; I286-V340 HydrophobicContact CD1-CG1 4.12Å; I286-L345 HydrophobicContact CD1-CD1 3.91Å
287	L	98.4	Very high	95.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	16%	0.155	C	C	.	.			trans	57.6	102.8	-179.4	178.4	60.4	0	0	0	112.9	N285 A292 Y302 R315 E335 P579	N285-L287 PolarHBondContact OD1-N 3.32Å; L287-A292 HydrophobicContact CD1-CB 4.42Å; L287-A292 HydrophobicContact CD2-CB 4.12Å; L287-A292 HydrophobicContact CG-CB 4.07Å; L287-Y302 WeakPolarHBondContact CD1-OH 3.3Å; L287-Y302 HydrophobicContact CD2-CE2 4.32Å; L287-R315 PolarHBondContact O-NH1 2.83Å; L287-R315 PolarHBondContact O-NH2 2.9Å; L287-E335 WeakPolarHBondContact CA-OE2 3.14Å; L287-P579 HydrophobicContact CD2-CG 4.09Å
288	A	97.7	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.			trans	-67.3	140.5	-176.3	0	0	0	0	0	110.6	I290 Y291 A292 E335 D337 E366	A288-I290 HydrophobicContact CB-CG2 3.91Å; A288-I290 PolarHBondContact O-N 2.94Å; A288-Y291 HydrophobicContact CB-CD2 3.78Å; A288-Y291 HydrophobicContact CB-CE2 3.99Å; A288-Y291 PolarHBondContact O-N 2.74Å; A288-A292 PolarHBondContact O-N 2.91Å; A288-E335 WeakPolarHBondContact CA-O 3.36Å; A288-E335 HydrophobicContact CB-CB 3.88Å; A288-E335 WeakPolarHBondContact CB-O 3.47Å; A288-E335 PolarHBondContact N-OE2 3.41Å; A288-D337 WeakPolarHBondContact CA-OD2 3.38Å; A288-E366 HydrophobicContact CB-CB 3.73Å; A288-E366 HydrophobicContact CB-CG 3.79Å
289	D	96.6	Very high	95.5	Very high	23 Å²	23	34.4 Å²	34.4	12%	0.123	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-34.1	-179.6	-157.4	53.3	0	0	0	112.5	Y291 A292 Q293 L312 R315 D337	D289-Y291 PolarHBondContact O-N 2.98Å; D289-Y291 VanDerWaalsContact O-N 3.09Å; D289-A292 PolarHBondContact O-N 2.92Å; D289-Q293 VanDerWaalsContact O-CB 3.3Å; D289-Q293 WeakPolarHBondContact O-CB 3.22Å; D289-Q293 WeakPolarHBondContact O-CG 3.47Å; D289-Q293 PolarHBondContact O-N 3.47Å; D289-L312 HydrophobicContact CB-CB 4.43Å; D289-L312 HydrophobicContact CB-CD1 3.86Å; D289-L312 HydrophobicContact CB-CD2 4.04Å; D289-L312 HydrophobicContact CB-CG 4.33Å; D289-L312 WeakPolarHBondContact OD1-CB 3.5Å; D289-R315 IonicContact OD1-NH2 2.74Å; D289-R315 PolarHBondContact OD1-NH2 3.46Å; D289-D337 PolarHBondContact N-OD2 2.86Å
290	I	92.8	Very high	95.5	Very high	55 Å²	55	38.8 Å²	38.8	28%	0.282	20%	0.202	S	C	.	.	H	α-helix	trans	-55	-29.1	175.6	-164.1	64.2	0	0	0	112.7	A288 T294 H365	A288-I290 HydrophobicContact CB-CG2 3.91Å; A288-I290 PolarHBondContact O-N 2.94Å; I290-T294 WeakPolarHBondContact O-CG2 3.37Å; I290-H365 HydrophobicContact CB-CB 4.39Å; I290-H365 HydrophobicContact CG1-CB 4.2Å; I290-H365 HydrophobicContact CG2-CB 4.43Å
291	Y	93.1	Very high	95.3	Very high	85 Å²	85	42.2 Å²	42.2	33%	0.333	22%	0.221	S	C	.	.	H	α-helix	trans	-91.6	-46.9	174.9	-52.2	-41.6	0	0	0	111.6	A288 D289 Q293 T294 S297 E335 E366	A288-Y291 HydrophobicContact CB-CD2 3.78Å; A288-Y291 HydrophobicContact CB-CE2 3.99Å; A288-Y291 PolarHBondContact O-N 2.74Å; D289-Y291 PolarHBondContact O-N 2.98Å; D289-Y291 VanDerWaalsContact O-N 3.09Å; Y291-Q293 VanDerWaalsContact C-N 3.31Å; Y291-Q293 PolarHBondContact O-N 3.03Å; Y291-T294 PolarHBondContact O-N 3.07Å; Y291-T294 PolarHBondContact O-OG1 2.64Å; Y291-S297 VanDerWaalsContact O-CB 3.25Å; Y291-S297 WeakPolarHBondContact O-CB 3.45Å; Y291-S297 PolarHBondContact O-OG 3.49Å; Y291-E335 WeakPolarHBondContact CD2-OE2 3.19Å; Y291-E335 HydrophobicContact CE2-CG 4.48Å; Y291-E366 HydrophobicContact CE2-CG 3.87Å; Y291-E366 PolarHBondContact OH-OE1 3.06Å
292	A	93.7	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-33.5	-176.7	0	0	0	0	0	113.8	L287 A288 D289 T294 S297	L287-A292 HydrophobicContact CD1-CB 4.42Å; L287-A292 HydrophobicContact CD2-CB 4.12Å; L287-A292 HydrophobicContact CG-CB 4.07Å; A288-A292 PolarHBondContact O-N 2.91Å; D289-A292 PolarHBondContact O-N 2.92Å; A292-T294 VanDerWaalsContact C-N 3.3Å; A292-T294 PolarHBondContact O-N 2.96Å; A292-S297 WeakPolarHBondContact O-CB 3.23Å
293	Q	90.8	Very high	95.1	Very high	93 Å²	93	46.6 Å²	46.6	44%	0.435	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11	-173.7	77.5	-176.1	-44.5	0	0	114.5	D289 Y291 K298	D289-Q293 VanDerWaalsContact O-CB 3.3Å; D289-Q293 WeakPolarHBondContact O-CB 3.22Å; D289-Q293 WeakPolarHBondContact O-CG 3.47Å; D289-Q293 PolarHBondContact O-N 3.47Å; Y291-Q293 VanDerWaalsContact C-N 3.31Å; Y291-Q293 PolarHBondContact O-N 3.03Å; Q293-K298 VanDerWaalsContact O-CE 3.28Å; Q293-K298 WeakPolarHBondContact O-CE 3.48Å; Q293-K298 PolarHBondContact O-NZ 2.96Å
294	T	93.2	Very high	95	Very high	54 Å²	54	48.5 Å²	48.5	33%	0.331	26%	0.256	S	S	.	.	S	Bend	trans	-68.8	151.8	-176.5	72.6	0	0	0	0	112.2	I290 Y291 A292 L296 S297 K298	I290-T294 WeakPolarHBondContact O-CG2 3.37Å; Y291-T294 PolarHBondContact O-N 3.07Å; Y291-T294 PolarHBondContact O-OG1 2.64Å; A292-T294 VanDerWaalsContact C-N 3.3Å; A292-T294 PolarHBondContact O-N 2.96Å; T294-L296 PolarHBondContact O-N 3.41Å; T294-S297 PolarHBondContact O-N 2.87Å; T294-S297 WeakPolarHBondContact OG1-CB 3.23Å; T294-S297 PolarHBondContact OG1-N 2.77Å; T294-S297 PolarHBondContact OG1-OG 3.38Å; T294-K298 WeakPolarHBondContact O-CG 3.21Å; T294-K298 PolarHBondContact O-N 3.47Å
295	D	93.1	Very high	95	Very high	126 Å²	126	49 Å²	49	67%	0.674	26%	0.259	S	S	*	.	H	α-helix	trans	-62	-36.1	175.8	-70.4	-26.1	0	0	0	111.5	K298 T299	D295-K298 PolarHBondContact O-N 3.37Å; D295-T299 WeakPolarHBondContact O-CB 3.25Å; D295-T299 WeakPolarHBondContact O-CG2 3.35Å; D295-T299 PolarHBondContact O-N 3.15Å; D295-T299 PolarHBondContact O-OG1 2.83Å
296	L	92.8	Very high	94.9	Very high	106 Å²	106	50.3 Å²	50.3	56%	0.555	27%	0.27	S	S	*	.	H	α-helix	trans	-59	-47.8	173.8	-178.4	69.1	0	0	0	110.8	T294 K298 T299 V300 L301	T294-L296 PolarHBondContact O-N 3.41Å; L296-K298 PolarHBondContact O-N 2.97Å; L296-T299 PolarHBondContact O-N 3.42Å; L296-V300 HydrophobicContact CD1-CB 3.83Å; L296-V300 HydrophobicContact CD1-CG1 4.29Å; L296-V300 HydrophobicContact CD1-CG2 3.75Å; L296-V300 WeakPolarHBondContact O-CA 3.39Å; L296-V300 VanDerWaalsContact O-CB 3.28Å; L296-V300 WeakPolarHBondContact O-CB 3.44Å; L296-V300 PolarHBondContact O-N 2.64Å; L296-L301 PolarHBondContact O-N 3.48Å
297	S	92.6	Very high	94.8	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.028	30%	0.299	C	S	.	.	I	π-helix	trans	-61.7	-46.1	177.8	-67	0	0	0	0	111.9	Y291 A292 T294 T299 L301 Y302	Y291-S297 VanDerWaalsContact O-CB 3.25Å; Y291-S297 WeakPolarHBondContact O-CB 3.45Å; Y291-S297 PolarHBondContact O-OG 3.49Å; A292-S297 WeakPolarHBondContact O-CB 3.23Å; T294-S297 PolarHBondContact O-N 2.87Å; T294-S297 WeakPolarHBondContact OG1-CB 3.23Å; T294-S297 PolarHBondContact OG1-N 2.77Å; T294-S297 PolarHBondContact OG1-OG 3.38Å; S297-T299 PolarHBondContact O-N 3.36Å; S297-L301 PolarHBondContact O-N 3.02Å; S297-Y302 WeakPolarHBondContact O-CA 3.26Å; S297-Y302 WeakPolarHBondContact O-CB 3.35Å; S297-Y302 WeakPolarHBondContact O-CD2 3.33Å; S297-Y302 PolarHBondContact O-N 2.9Å
298	K	92.4	Very high	94.7	Very high	72 Å²	72	61 Å²	61	31%	0.313	32%	0.323	S	S	.	.	I	π-helix	trans	-67.8	-35.4	-178.6	-70.3	165.5	178.7	159.4	0	113.6	Q293 T294 D295 L296 P303 L310	Q293-K298 VanDerWaalsContact O-CE 3.28Å; Q293-K298 WeakPolarHBondContact O-CE 3.48Å; Q293-K298 PolarHBondContact O-NZ 2.96Å; T294-K298 WeakPolarHBondContact O-CG 3.21Å; T294-K298 PolarHBondContact O-N 3.47Å; D295-K298 PolarHBondContact O-N 3.37Å; L296-K298 PolarHBondContact O-N 2.97Å; K298-P303 WeakPolarHBondContact O-CA 3.47Å; K298-L310 HydrophobicContact CG-CD1 3.98Å
299	T	92.1	Very high	94.7	Very high	94 Å²	94	61 Å²	61	58%	0.577	32%	0.323	S	S	*	.	I	π-helix	trans	-103	-22.5	-171	61.7	0	0	0	0	114.2	D295 L296 S297	D295-T299 WeakPolarHBondContact O-CB 3.25Å; D295-T299 WeakPolarHBondContact O-CG2 3.35Å; D295-T299 PolarHBondContact O-N 3.15Å; D295-T299 PolarHBondContact O-OG1 2.83Å; L296-T299 PolarHBondContact O-N 3.42Å; S297-T299 PolarHBondContact O-N 3.36Å
300	V	94.1	Very high	94.7	Very high	91 Å²	91	60 Å²	60	55%	0.552	32%	0.318	S	S	*	.	I	π-helix	trans	-119.6	-50.4	-175	-176.8	0	0	0	0	112.1	L296 P303	L296-V300 HydrophobicContact CD1-CB 3.83Å; L296-V300 HydrophobicContact CD1-CG1 4.29Å; L296-V300 HydrophobicContact CD1-CG2 3.75Å; L296-V300 WeakPolarHBondContact O-CA 3.39Å; L296-V300 VanDerWaalsContact O-CB 3.28Å; L296-V300 WeakPolarHBondContact O-CB 3.44Å; L296-V300 PolarHBondContact O-N 2.64Å; V300-P303 VanDerWaalsContact O-CD 3.3Å; V300-P303 WeakPolarHBondContact O-CD 3.5Å
301	L	93.9	Very high	94.9	Very high	79 Å²	79	62.1 Å²	62.1	41%	0.414	33%	0.327	S	S	.	.	I	π-helix	trans	-76.7	-44.8	-176.7	-56.2	-179.7	0	0	0	112.1	L296 S297 Y304	L296-L301 PolarHBondContact O-N 3.48Å; S297-L301 PolarHBondContact O-N 3.02Å; L301-Y304 WeakPolarHBondContact O-CE1 3.43Å
302	Y	97.4	Very high	95.1	Very high	11 Å²	11	60.1 Å²	60.1	4%	0.043	32%	0.322	C	S	.	.	S	Bend	trans	-124.8	41.1	-172.7	-42.1	-54.2	0	0	0	114	L287 S297 Y304 C305 L310 V541 P579 D586	L287-Y302 WeakPolarHBondContact CD1-OH 3.3Å; L287-Y302 HydrophobicContact CD2-CE2 4.32Å; S297-Y302 WeakPolarHBondContact O-CA 3.26Å; S297-Y302 WeakPolarHBondContact O-CB 3.35Å; S297-Y302 WeakPolarHBondContact O-CD2 3.33Å; S297-Y302 PolarHBondContact O-N 2.9Å; Y302-Y304 PolarHBondContact O-N 3.18Å; Y302-C305 PolarHBondContact O-N 2.77Å; Y302-L310 HydrophobicContact CD2-CD2 3.93Å; Y302-L310 HydrophobicContact CG-CD2 4.32Å; Y302-V541 HydrophobicContact CD1-CG1 4.47Å; Y302-V541 HydrophobicContact CE1-CG1 3.87Å; Y302-P579 HydrophobicContact CD1-CG 4.43Å; Y302-P579 HydrophobicContact CG-CG 4.37Å; Y302-D586 HydrophobicContact CE1-CB 4.06Å; Y302-D586 PolarHBondContact OH-OD2 2.67Å
303	P	97.1	Very high	95.2	Very high	82 Å²	82	64.3 Å²	64.3	53%	0.532	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.8	-177.3	29.5	-36.6	0	0	0	113.6	K298 V300	K298-P303 WeakPolarHBondContact O-CA 3.47Å; V300-P303 VanDerWaalsContact O-CD 3.3Å; V300-P303 WeakPolarHBondContact O-CD 3.5Å
304	Y	97.5	Very high	95.5	Very high	40 Å²	40	61 Å²	61	16%	0.157	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-21.4	174.9	49.1	-95.7	0	0	0	113.4	L301 Y302 V541 G542 K576 A577 L578	L301-Y304 WeakPolarHBondContact O-CE1 3.43Å; Y302-Y304 PolarHBondContact O-N 3.18Å; Y304-V541 WeakPolarHBondContact OH-CA 3.36Å; Y304-G542 PolarHBondContact OH-N 3.38Å; Y304-K576 HydrophobicContact CG-CB 4.43Å; Y304-A577 HydrophobicContact CD2-CB 4.21Å; Y304-A577 HydrophobicContact CE1-CB 3.99Å; Y304-A577 VanDerWaalsContact CE2-C 3.47Å; Y304-A577 HydrophobicContact CE2-CB 3.65Å; Y304-L578 WeakPolarHBondContact CE2-O 3.48Å; Y304-L578 PolarHBondContact OH-O 3.38Å
305	C	98.1	Very high	95.7	Very high	9 Å²	9	58.5 Å²	58.5	6%	0.061	31%	0.312	C	S	.	.	S	Bend	trans	-79	137.3	-177.4	-172.2	0	0	0	0	110.2	Y302 L310 P579	Y302-C305 PolarHBondContact O-N 2.77Å; C305-L310 HydrophobicContact CB-CD1 4.29Å; C305-L310 HydrophobicContact CB-CD2 4.38Å; C305-L310 HydrophobicContact CB-CG 4.11Å; C305-P579 HydrophobicContact CB-CG 4.47Å; C305-P579 WeakPolarHBondContact CB-O 3.48Å; C305-P579 PolarHBondContact SG-O 3.38Å
306	A	97.4	Very high	96	Very high	28 Å²	28	53 Å²	53	23%	0.231	28%	0.282	C	S	.	.			trans	-61	131.6	175.3	0	0	0	0	0	109.7	Y308 A309 L310 V581	A306-Y308 HydrophobicContact CB-CD1 3.88Å; A306-Y308 HydrophobicContact CB-CE1 3.56Å; A306-Y308 PolarHBondContact O-N 2.86Å; A306-A309 HydrophobicContact CB-CB 4.29Å; A306-A309 WeakPolarHBondContact O-CA 3.46Å; A306-A309 WeakPolarHBondContact O-CB 3.45Å; A306-A309 PolarHBondContact O-N 3.48Å; A306-L310 PolarHBondContact O-N 3.17Å; A306-V581 HydrophobicContact CB-CG1 3.73Å
307	P	96.6	Very high	96.2	Very high	97 Å²	97	48.1 Å²	48.1	63%	0.63	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.7	-173.1	-29.9	35.6	0	0	0	115.3	A309 Q311	P307-A309 VanDerWaalsContact C-N 3.34Å; P307-Q311 PolarHBondContact O-NE2 3.12Å
308	Y	96.1	Very high	96.5	Very high	131 Å²	131	48 Å²	48	51%	0.514	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-29	176.1	73.6	-96.9	0	0	0	112.4	A306 L310 Q311 Y314 V581	A306-Y308 HydrophobicContact CB-CD1 3.88Å; A306-Y308 HydrophobicContact CB-CE1 3.56Å; A306-Y308 PolarHBondContact O-N 2.86Å; Y308-L310 VanDerWaalsContact C-N 3.3Å; Y308-Q311 WeakPolarHBondContact O-CB 3.21Å; Y308-Q311 WeakPolarHBondContact O-CG 3.42Å; Y308-Q311 PolarHBondContact O-N 2.79Å; Y308-Y314 AromaticContact CD2-CD2 4Å; Y308-Y314 HydrophobicContact CD2-CD2 4Å; Y308-Y314 AromaticContact CD2-CE2 3.94Å; Y308-Y314 HydrophobicContact CD2-CE2 3.94Å; Y308-Y314 HydrophobicContact CD2-CG 4.45Å; Y308-Y314 HydrophobicContact CE2-CD2 4.23Å; Y308-Y314 AromaticContact CE2-CE2 3.69Å; Y308-Y314 HydrophobicContact CE2-CE2 3.69Å; Y308-Y314 AromaticContact CE2-CZ 3.83Å; Y308-Y314 WeakPolarHBondContact O-CB 3.4Å; Y308-V581 HydrophobicContact CE1-CG1 4.4Å; Y308-V581 HydrophobicContact CE2-CG1 4.24Å; Y308-V581 WeakPolarHBondContact OH-CG1 3.35Å
309	A	97.4	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.2	-179.6	0	0	0	0	0	112.9	A306 P307 Y314 R315 V581	A306-A309 HydrophobicContact CB-CB 4.29Å; A306-A309 WeakPolarHBondContact O-CA 3.46Å; A306-A309 WeakPolarHBondContact O-CB 3.45Å; A306-A309 PolarHBondContact O-N 3.48Å; P307-A309 VanDerWaalsContact C-N 3.34Å; A309-Y314 VanDerWaalsContact CA-CD1 3.46Å; A309-Y314 HydrophobicContact CB-CD1 3.94Å; A309-Y314 HydrophobicContact CB-CE1 3.74Å; A309-R315 WeakPolarHBondContact O-CG 3.35Å; A309-V581 HydrophobicContact CB-CB 4.45Å; A309-V581 HydrophobicContact CB-CG1 3.97Å
310	L	96.9	Very high	97.1	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.1	169	-76	173.2	0	0	0	113.3	K298 Y302 C305 A306 Y308 R315 P579	K298-L310 HydrophobicContact CG-CD1 3.98Å; Y302-L310 HydrophobicContact CD2-CD2 3.93Å; Y302-L310 HydrophobicContact CG-CD2 4.32Å; C305-L310 HydrophobicContact CB-CD1 4.29Å; C305-L310 HydrophobicContact CB-CD2 4.38Å; C305-L310 HydrophobicContact CB-CG 4.11Å; A306-L310 PolarHBondContact O-N 3.17Å; Y308-L310 VanDerWaalsContact C-N 3.3Å; L310-R315 PolarHBondContact O-NE 3.42Å; L310-P579 HydrophobicContact CD2-CG 3.44Å; L310-P579 VanDerWaalsContact CD2-CG 3.44Å
311	Q	96.8	Very high	97.3	Very high	99 Å²	99	38.2 Å²	38.2	46%	0.463	20%	0.198	S	C	.	.	S	Bend	trans	-63.5	138.9	-178.3	-59.9	-61.8	-49.1	0	0	110.7	P307 Y308 D313 Y314 R315	P307-Q311 PolarHBondContact O-NE2 3.12Å; Y308-Q311 WeakPolarHBondContact O-CB 3.21Å; Y308-Q311 WeakPolarHBondContact O-CG 3.42Å; Y308-Q311 PolarHBondContact O-N 2.79Å; Q311-D313 VanDerWaalsContact C-N 3.34Å; Q311-D313 PolarHBondContact O-N 2.77Å; Q311-Y314 WeakPolarHBondContact O-CB 3.28Å; Q311-Y314 PolarHBondContact O-N 3.11Å; Q311-Y314 VanDerWaalsContact O-N 3.1Å; Q311-R315 PolarHBondContact O-N 2.72Å; Q311-R315 VanDerWaalsContact O-N 3.09Å
312	L	96.8	Very high	97.6	Very high	43 Å²	43	34.5 Å²	34.5	23%	0.225	18%	0.178	C	C	.	.	H	α-helix	trans	-51.7	-50.7	-176.3	-173.1	53	0	0	0	112.9	D289 Y314 R315 Q316 V340	D289-L312 HydrophobicContact CB-CB 4.43Å; D289-L312 HydrophobicContact CB-CD1 3.86Å; D289-L312 HydrophobicContact CB-CD2 4.04Å; D289-L312 HydrophobicContact CB-CG 4.33Å; D289-L312 WeakPolarHBondContact OD1-CB 3.5Å; L312-Y314 PolarHBondContact O-N 2.74Å; L312-R315 PolarHBondContact O-N 2.88Å; L312-Q316 HydrophobicContact CD1-CG 3.67Å; L312-Q316 HydrophobicContact CG-CG 3.97Å; L312-Q316 WeakPolarHBondContact O-CB 3.28Å; L312-Q316 VanDerWaalsContact O-CG 3.23Å; L312-Q316 WeakPolarHBondContact O-CG 3.46Å; L312-Q316 PolarHBondContact O-N 2.83Å; L312-V340 HydrophobicContact CD1-CG2 3.74Å; L312-V340 HydrophobicContact CD2-CG2 4.02Å; L312-V340 HydrophobicContact CG-CG2 4.34Å
313	D	95.6	Very high	97.6	Very high	88 Å²	88	34 Å²	34	47%	0.471	18%	0.177	S	C	.	.	H	α-helix	trans	-59.9	-34.7	-176.6	-73.5	-19.5	0	0	0	112.7	Q311 N317	Q311-D313 VanDerWaalsContact C-N 3.34Å; Q311-D313 PolarHBondContact O-N 2.77Å; D313-N317 PolarHBondContact O-N 3.46Å; D313-N317 PolarHBondContact O-ND2 3.27Å; D313-N317 VanDerWaalsContact O-ND2 3.09Å
314	Y	97.4	Very high	97.6	Very high	24 Å²	24	30.6 Å²	30.6	9%	0.094	16%	0.155	C	C	.	.	H	α-helix	trans	-69.2	-53.6	175.5	-173.6	-90.4	0	0	0	110.8	M159 P258 Y308 A309 Q311 L312 Q316 N317 L318 V581	M159-Y314 HydrophobicContact CE-CD2 4.1Å; M159-Y314 HydrophobicContact CE-CE2 4.14Å; M159-Y314 HydrophobicContact SD-CD2 3.94Å; M159-Y314 HydrophobicContact SD-CE2 3.66Å; P258-Y314 VanDerWaalsContact CB-OH 3.32Å; P258-Y314 WeakPolarHBondContact CB-OH 3.36Å; Y308-Y314 AromaticContact CD2-CD2 4Å; Y308-Y314 HydrophobicContact CD2-CD2 4Å; Y308-Y314 AromaticContact CD2-CE2 3.94Å; Y308-Y314 HydrophobicContact CD2-CE2 3.94Å; Y308-Y314 HydrophobicContact CD2-CG 4.45Å; Y308-Y314 HydrophobicContact CE2-CD2 4.23Å; Y308-Y314 AromaticContact CE2-CE2 3.69Å; Y308-Y314 HydrophobicContact CE2-CE2 3.69Å; Y308-Y314 AromaticContact CE2-CZ 3.83Å; Y308-Y314 WeakPolarHBondContact O-CB 3.4Å; A309-Y314 VanDerWaalsContact CA-CD1 3.46Å; A309-Y314 HydrophobicContact CB-CD1 3.94Å; A309-Y314 HydrophobicContact CB-CE1 3.74Å; Q311-Y314 WeakPolarHBondContact O-CB 3.28Å; Q311-Y314 PolarHBondContact O-N 3.11Å; Q311-Y314 VanDerWaalsContact O-N 3.1Å; L312-Y314 PolarHBondContact O-N 2.74Å; Y314-Q316 VanDerWaalsContact C-N 3.3Å; Y314-Q316 PolarHBondContact O-N 3.1Å; Y314-N317 PolarHBondContact O-N 2.86Å; Y314-N317 VanDerWaalsContact O-N 3.16Å; Y314-L318 HydrophobicContact CD1-CD1 4.13Å; Y314-L318 HydrophobicContact CE1-CD1 3.79Å; Y314-L318 HydrophobicContact CE1-CD2 3.99Å; Y314-L318 WeakPolarHBondContact O-CD1 3.44Å; Y314-L318 PolarHBondContact O-N 2.74Å; Y314-V581 PolarHBondContact OH-O 3.4Å
315	R	98.4	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-43.4	179.7	-64	-174.5	-58.2	107.1	-6.7	111.1	I286 L287 D289 A309 L310 Q311 L312 N317 L318 V319 P584	I286-R315 PolarHBondContact O-NH1 3.11Å; L287-R315 PolarHBondContact O-NH1 2.83Å; L287-R315 PolarHBondContact O-NH2 2.9Å; D289-R315 IonicContact OD1-NH2 2.74Å; D289-R315 PolarHBondContact OD1-NH2 3.46Å; A309-R315 WeakPolarHBondContact O-CG 3.35Å; L310-R315 PolarHBondContact O-NE 3.42Å; Q311-R315 PolarHBondContact O-N 2.72Å; Q311-R315 VanDerWaalsContact O-N 3.09Å; L312-R315 PolarHBondContact O-N 2.88Å; R315-N317 VanDerWaalsContact C-N 3.32Å; R315-N317 PolarHBondContact O-N 2.92Å; R315-L318 CarbonylContact O-C 3.59Å; R315-L318 WeakPolarHBondContact O-CB 3.41Å; R315-L318 PolarHBondContact O-N 3.4Å; R315-L318 VanDerWaalsContact O-N 3.08Å; R315-V319 WeakPolarHBondContact O-CG2 3.19Å; R315-V319 PolarHBondContact O-N 2.92Å; R315-P584 HydrophobicContact CB-CB 4.14Å; R315-P584 VanDerWaalsContact CD-O 3.29Å; R315-P584 WeakPolarHBondContact CD-O 3.45Å
316	Q	97.8	Very high	97.7	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-35.6	179.5	-73.3	-59.4	-52.9	0	0	113	L312 Y314 K320 V340 S344	L312-Q316 HydrophobicContact CD1-CG 3.67Å; L312-Q316 HydrophobicContact CG-CG 3.97Å; L312-Q316 WeakPolarHBondContact O-CB 3.28Å; L312-Q316 VanDerWaalsContact O-CG 3.23Å; L312-Q316 WeakPolarHBondContact O-CG 3.46Å; L312-Q316 PolarHBondContact O-N 2.83Å; Y314-Q316 VanDerWaalsContact C-N 3.3Å; Y314-Q316 PolarHBondContact O-N 3.1Å; Q316-K320 WeakPolarHBondContact O-CB 3.36Å; Q316-K320 WeakPolarHBondContact O-CE 3.27Å; Q316-K320 WeakPolarHBondContact O-CG 3.32Å; Q316-K320 PolarHBondContact O-N 2.89Å; Q316-V340 HydrophobicContact CG-CG2 4.45Å; Q316-S344 VanDerWaalsContact OE1-CB 3.3Å; Q316-S344 PolarHBondContact OE1-OG 2.6Å
317	N	98.2	Very high	97.7	Very high	5 Å²	5	30 Å²	30	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-44.2	172.8	-84.6	-47.3	0	0	0	111.7	S157 M159 F162 D313 Y314 R315 K320 K321	S157-N317 WeakPolarHBondContact CB-ND2 3.26Å; S157-N317 PolarHBondContact O-ND2 3.35Å; S157-N317 VanDerWaalsContact O-ND2 3.16Å; S157-N317 PolarHBondContact OG-ND2 3.1Å; S157-N317 VanDerWaalsContact OG-ND2 3.14Å; M159-N317 HydrophobicContact CE-CB 3.2Å; F162-N317 HydrophobicContact CD1-CB 4.28Å; F162-N317 WeakPolarHBondContact CD1-O 3.41Å; D313-N317 PolarHBondContact O-N 3.46Å; D313-N317 PolarHBondContact O-ND2 3.27Å; D313-N317 VanDerWaalsContact O-ND2 3.09Å; Y314-N317 PolarHBondContact O-N 2.86Å; Y314-N317 VanDerWaalsContact O-N 3.16Å; R315-N317 VanDerWaalsContact C-N 3.32Å; R315-N317 PolarHBondContact O-N 2.92Å; N317-K320 PolarHBondContact OD1-NZ 3.17Å; N317-K321 PolarHBondContact O-N 2.77Å; N317-K321 VanDerWaalsContact O-N 3.09Å
318	L	98.8	Very high	97.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.5	-48.9	175.9	-86.6	66.6	0	0	0	111.9	M159 F162 P258 F263 Y314 R315 K320 K321 E322 P584	M159-L318 HydrophobicContact CE-CD1 3.7Å; F162-L318 HydrophobicContact CD1-CD1 4.32Å; F162-L318 HydrophobicContact CE1-CB 4.4Å; F162-L318 HydrophobicContact CE1-CD1 3.58Å; F162-L318 HydrophobicContact CE1-CG 3.78Å; F162-L318 HydrophobicContact CZ-CD1 3.99Å; F162-L318 HydrophobicContact CZ-CG 4.31Å; P258-L318 HydrophobicContact CG-CD1 4.39Å; F263-L318 HydrophobicContact CE1-CB 4.17Å; F263-L318 HydrophobicContact CE1-CG 4.32Å; F263-L318 HydrophobicContact CZ-CB 4.39Å; F263-L318 HydrophobicContact CZ-CG 4.35Å; Y314-L318 HydrophobicContact CD1-CD1 4.13Å; Y314-L318 HydrophobicContact CE1-CD1 3.79Å; Y314-L318 HydrophobicContact CE1-CD2 3.99Å; Y314-L318 WeakPolarHBondContact O-CD1 3.44Å; Y314-L318 PolarHBondContact O-N 2.74Å; R315-L318 CarbonylContact O-C 3.59Å; R315-L318 WeakPolarHBondContact O-CB 3.41Å; R315-L318 PolarHBondContact O-N 3.4Å; R315-L318 VanDerWaalsContact O-N 3.08Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.36Å; L318-K321 PolarHBondContact O-N 2.79Å; L318-K321 VanDerWaalsContact O-N 3.17Å; L318-E322 VanDerWaalsContact O-CB 3.28Å; L318-E322 WeakPolarHBondContact O-CB 3.46Å; L318-E322 PolarHBondContact O-N 2.94Å; L318-P584 HydrophobicContact CB-CB 3.66Å; L318-P584 HydrophobicContact CB-CG 3.89Å; L318-P584 HydrophobicContact CD2-CB 4.25Å
319	V	98.8	Very high	98	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.2	-44.1	177.6	173.1	0	0	0	0	111.2	I286 R315 E322 L323 L345 P584	I286-V319 HydrophobicContact CG2-CG1 4.24Å; R315-V319 WeakPolarHBondContact O-CG2 3.19Å; R315-V319 PolarHBondContact O-N 2.92Å; V319-E322 PolarHBondContact O-N 3.11Å; V319-L323 HydrophobicContact CG1-CD1 3.71Å; V319-L323 HydrophobicContact CG1-CG 4.14Å; V319-L323 WeakPolarHBondContact O-CB 3.17Å; V319-L323 WeakPolarHBondContact O-CG 2.95Å; V319-L323 PolarHBondContact O-N 2.73Å; V319-L345 HydrophobicContact CG1-CD2 3.94Å; V319-P584 HydrophobicContact CG2-CB 3.76Å; V319-P584 HydrophobicContact CG2-CG 3.73Å
320	K	98.3	Very high	98	Very high	12 Å²	12	19.2 Å²	19.2	5%	0.052	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-45.3	177.2	-73.8	177.3	-68.3	161.8	0	112	P163 Q316 N317 L318 E322 A324 A348	P163-K320 HydrophobicContact CG-CB 4.35Å; Q316-K320 WeakPolarHBondContact O-CB 3.36Å; Q316-K320 WeakPolarHBondContact O-CE 3.27Å; Q316-K320 WeakPolarHBondContact O-CG 3.32Å; Q316-K320 PolarHBondContact O-N 2.89Å; N317-K320 PolarHBondContact OD1-NZ 3.17Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.36Å; K320-E322 VanDerWaalsContact C-N 3.34Å; K320-A324 WeakPolarHBondContact O-CB 3.23Å; K320-A324 PolarHBondContact O-N 3.43Å; K320-A348 HydrophobicContact CB-CB 4.44Å; K320-A348 HydrophobicContact CD-CB 3.76Å; K320-A348 HydrophobicContact CG-CB 3.75Å
321	K	98.6	Very high	98.1	Very high	41 Å²	41	19.1 Å²	19.1	18%	0.178	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-45.7	176.9	-173.8	-177.2	176.3	-148.9	0	110.4	G161 F162 P163 F263 D264 H267 N317 L318 G325	G161-K321 WeakPolarHBondContact O-CD 3.34Å; G161-K321 VanDerWaalsContact O-CE 3.27Å; G161-K321 WeakPolarHBondContact O-CE 3.41Å; F162-K321 HydrophobicContact CD1-CB 3.66Å; F162-K321 HydrophobicContact CD1-CD 3.54Å; F162-K321 HydrophobicContact CD1-CG 4.17Å; F162-K321 HydrophobicContact CD2-CD 4.44Å; F162-K321 HydrophobicContact CE1-CB 3.99Å; F162-K321 HydrophobicContact CE1-CD 3.43Å; F162-K321 VanDerWaalsContact CE1-CD 3.43Å; F162-K321 HydrophobicContact CE1-CG 4.34Å; F162-K321 HydrophobicContact CE2-CD 4.33Å; F162-K321 HydrophobicContact CG-CD 4.06Å; F162-K321 HydrophobicContact CZ-CD 3.85Å; P163-K321 HydrophobicContact CG-CB 4.42Å; F263-K321 HydrophobicContact CE2-CB 4.23Å; F263-K321 HydrophobicContact CE2-CD 3.72Å; F263-K321 HydrophobicContact CE2-CG 3.88Å; F263-K321 HydrophobicContact CZ-CB 4.26Å; F263-K321 HydrophobicContact CZ-CD 4.13Å; F263-K321 HydrophobicContact CZ-CG 4.36Å; D264-K321 IonicContact OD1-NZ 3.99Å; D264-K321 PolarHBondContact OD1-NZ 2.94Å; D264-K321 IonicContact OD2-NZ 2.72Å; H267-K321 PolarHBondContact CE1-O 2.91Å; H267-K321 VanDerWaalsContact CE1-O 3.23Å; N317-K321 PolarHBondContact O-N 2.77Å; N317-K321 VanDerWaalsContact O-N 3.09Å; L318-K321 PolarHBondContact O-N 2.79Å; L318-K321 VanDerWaalsContact O-N 3.17Å; K321-G325 PolarHBondContact O-N 3.43Å
322	E	98.9	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-57.1	179.8	-179.4	162	-164.2	0	0	111.9	F263 H267 L318 V319 K320 A324 G325 Y326	F263-E322 HydrophobicContact CB-CB 4.31Å; F263-E322 HydrophobicContact CB-CG 3.76Å; F263-E322 HydrophobicContact CD1-CB 3.56Å; F263-E322 VanDerWaalsContact CD1-CD 3.45Å; F263-E322 HydrophobicContact CD1-CG 3.71Å; F263-E322 WeakPolarHBondContact CD1-OE2 3.25Å; F263-E322 HydrophobicContact CD2-CB 4.21Å; F263-E322 HydrophobicContact CE1-CB 3.8Å; F263-E322 HydrophobicContact CE1-CG 4.44Å; F263-E322 HydrophobicContact CE2-CB 4.43Å; F263-E322 HydrophobicContact CG-CB 3.76Å; F263-E322 HydrophobicContact CG-CG 3.76Å; F263-E322 HydrophobicContact CZ-CB 4.23Å; H267-E322 PolarHBondContact NE2-O 3.45Å; L318-E322 VanDerWaalsContact O-CB 3.28Å; L318-E322 WeakPolarHBondContact O-CB 3.46Å; L318-E322 PolarHBondContact O-N 2.94Å; V319-E322 PolarHBondContact O-N 3.11Å; K320-E322 VanDerWaalsContact C-N 3.34Å; E322-A324 PolarHBondContact O-N 2.68Å; E322-G325 PolarHBondContact O-N 2.75Å; E322-Y326 HydrophobicContact CG-CD2 4.19Å; E322-Y326 HydrophobicContact CG-CE2 3.32Å; E322-Y326 WeakPolarHBondContact CG-OH 3.39Å; E322-Y326 VanDerWaalsContact O-CD2 3.28Å; E322-Y326 WeakPolarHBondContact O-CD2 3.25Å; E322-Y326 PolarHBondContact O-N 3.46Å; E322-Y326 PolarHBondContact OE1-OH 2.85Å
323	L	98.8	Very high	98.3	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-66.4	-40	-177	-65.4	179.8	0	0	0	112.6	V282 Y284 V319 Y326 I331 L333 L345 L349	V282-L323 HydrophobicContact CG1-CD2 4.21Å; Y284-L323 HydrophobicContact CD1-CD2 4.29Å; V319-L323 HydrophobicContact CG1-CD1 3.71Å; V319-L323 HydrophobicContact CG1-CG 4.14Å; V319-L323 WeakPolarHBondContact O-CB 3.17Å; V319-L323 WeakPolarHBondContact O-CG 2.95Å; V319-L323 PolarHBondContact O-N 2.73Å; L323-Y326 HydrophobicContact CD2-CD2 4.43Å; L323-Y326 PolarHBondContact O-N 3.2Å; L323-I331 HydrophobicContact CB-CD1 4.45Å; L323-I331 HydrophobicContact CD2-CG2 4.05Å; L323-L333 HydrophobicContact CD1-CD1 3.96Å; L323-L333 HydrophobicContact CD1-CD2 4.2Å; L323-L333 HydrophobicContact CD2-CD2 4.26Å; L323-L345 HydrophobicContact CD1-CD2 4.21Å; L323-L349 HydrophobicContact CB-CD2 4.08Å; L323-L349 HydrophobicContact CD1-CD1 4.43Å
324	A	97.4	Very high	98.5	Very high	10 Å²	10	8.1 Å²	8.1	8%	0.083	5%	0.045	C	C	.	.	H	α-helix	trans	-63.4	-43.2	177.1	0	0	0	0	0	111.9	K320 E322 Y326 N327 F352	K320-A324 WeakPolarHBondContact O-CB 3.23Å; K320-A324 PolarHBondContact O-N 3.43Å; E322-A324 PolarHBondContact O-N 2.68Å; A324-Y326 VanDerWaalsContact C-N 3.25Å; A324-Y326 PolarHBondContact O-N 3.3Å; A324-N327 PolarHBondContact O-N 3.02Å; A324-N327 VanDerWaalsContact O-N 3.17Å; A324-F352 HydrophobicContact CB-CD1 4.15Å; A324-F352 HydrophobicContact CB-CD2 3.59Å; A324-F352 HydrophobicContact CB-CE1 3.93Å; A324-F352 HydrophobicContact CB-CE2 3.37Å; A324-F352 HydrophobicContact CB-CG 4.01Å; A324-F352 HydrophobicContact CB-CZ 3.56Å
325	G	98.3	Very high	98.5	Very high	19 Å²	19	7.9 Å²	7.9	20%	0.196	5%	0.045	C	C	.	.	H	α-helix	trans	-69.3	-20.2	-179.6	0	0	0	0	0	114.1	H267 T270 K321 E322 N327	H267-G325 VanDerWaalsContact CD2-C 3.45Å; H267-G325 WeakPolarHBondContact NE2-CA 3.44Å; T270-G325 PolarHBondContact OG1-O 2.56Å; K321-G325 PolarHBondContact O-N 3.43Å; E322-G325 PolarHBondContact O-N 2.75Å; G325-N327 PolarHBondContact O-N 2.99Å; G325-N327 PolarHBondContact O-ND2 3.06Å
326	Y	98.8	Very high	98.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.2	172.5	-68.1	-39.9	0	0	0	113.4	R266 H267 T270 R280 V282 E322 L323 A324 A328 A589 V591	R266-Y326 HydrophobicContact CB-CE1 3.97Å; R266-Y326 PolarHBondContact NH1-OH 3Å; H267-Y326 AromaticContact CD2-CD1 3.65Å; H267-Y326 AromaticContact CD2-CE1 3.72Å; H267-Y326 AromaticContact NE2-CD1 3.95Å; H267-Y326 AromaticContact NE2-CE1 3.95Å; T270-Y326 VanDerWaalsContact CB-O 3.31Å; T270-Y326 WeakPolarHBondContact CB-O 3.26Å; T270-Y326 HydrophobicContact CG2-CD1 4.14Å; T270-Y326 WeakPolarHBondContact OG1-CA 3.41Å; R280-Y326 WeakPolarHBondContact CD-O 3.47Å; R280-Y326 PolarHBondContact NH1-O 2.89Å; V282-Y326 HydrophobicContact CG2-CD2 4.24Å; E322-Y326 HydrophobicContact CG-CD2 4.19Å; E322-Y326 HydrophobicContact CG-CE2 3.32Å; E322-Y326 WeakPolarHBondContact CG-OH 3.39Å; E322-Y326 VanDerWaalsContact O-CD2 3.28Å; E322-Y326 WeakPolarHBondContact O-CD2 3.25Å; E322-Y326 PolarHBondContact O-N 3.46Å; E322-Y326 PolarHBondContact OE1-OH 2.85Å; L323-Y326 HydrophobicContact CD2-CD2 4.43Å; L323-Y326 PolarHBondContact O-N 3.2Å; A324-Y326 VanDerWaalsContact C-N 3.25Å; A324-Y326 PolarHBondContact O-N 3.3Å; Y326-A328 PolarHBondContact O-N 3.32Å; Y326-A328 VanDerWaalsContact O-N 3.1Å; Y326-A589 HydrophobicContact CE2-CB 3.95Å; Y326-V591 HydrophobicContact CD1-CG2 4.14Å; Y326-V591 HydrophobicContact CD2-CG2 3.99Å; Y326-V591 HydrophobicContact CE1-CG2 4.04Å; Y326-V591 HydrophobicContact CE2-CG2 3.87Å; Y326-V591 HydrophobicContact CG-CG2 4.15Å
327	N	98.3	Very high	98.6	Very high	46 Å²	46	8.5 Å²	8.5	25%	0.246	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	39.6	-177.2	-69.8	-63.5	0	0	0	112.4	T270 A273 A324 G325 R373	T270-N327 PolarHBondContact O-ND2 2.68Å; A273-N327 HydrophobicContact CB-CB 4.47Å; A324-N327 PolarHBondContact O-N 3.02Å; A324-N327 VanDerWaalsContact O-N 3.17Å; G325-N327 PolarHBondContact O-N 2.99Å; G325-N327 PolarHBondContact O-ND2 3.06Å; N327-R373 VanDerWaalsContact C-NH2 3.28Å; N327-R373 PolarHBondContact O-NH2 3.11Å
328	A	98.6	Very high	98.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	7%	0.074	C	C	.	.			trans	-72.3	158	-173.5	0	0	0	0	0	112.7	R280 V282 Y326 I331 R373	R280-A328 HydrophobicContact CG-CB 4.08Å; V282-A328 HydrophobicContact CG2-CB 3.53Å; Y326-A328 PolarHBondContact O-N 3.32Å; Y326-A328 VanDerWaalsContact O-N 3.1Å; A328-I331 HydrophobicContact CB-CD1 4.03Å; A328-I331 HydrophobicContact CB-CG1 3.62Å; A328-R373 PolarHBondContact O-NE 2.72Å; A328-R373 PolarHBondContact O-NH2 2.71Å
329	D	98.6	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-99.5	-32.5	175.7	-59.9	-52.3	0	0	0	112.3	L279 R280 Y372 R373 K376 F377	L279-D329 WeakPolarHBondContact CA-OD2 3.47Å; R280-D329 PolarHBondContact N-OD2 2.71Å; R280-D329 WeakPolarHBondContact O-CA 3.37Å; R280-D329 PolarHBondContact O-N 2.93Å; D329-Y372 CarbonylContact O-C 3.6Å; D329-Y372 VanDerWaalsContact O-CA 3.25Å; D329-Y372 WeakPolarHBondContact O-CA 3.32Å; D329-R373 HydrophobicContact CB-CB 4.38Å; D329-R373 PolarHBondContact O-N 2.88Å; D329-R373 WeakPolarHBondContact OD1-CD 3.36Å; D329-R373 IonicContact OD1-NE 3.98Å; D329-R373 PolarHBondContact OD1-NE 2.77Å; D329-K376 HydrophobicContact CB-CD 4.25Å; D329-K376 WeakPolarHBondContact OD1-CD 3.37Å; D329-K376 VanDerWaalsContact OD1-CE 3.26Å; D329-K376 WeakPolarHBondContact OD1-CE 3.34Å; D329-K376 IonicContact OD1-NZ 3.36Å; D329-K376 PolarHBondContact OD1-NZ 3.47Å; D329-K376 VanDerWaalsContact OD1-NZ 3.13Å; D329-K376 IonicContact OD2-NZ 3.75Å; D329-K376 PolarHBondContact OD2-NZ 3.12Å; D329-F377 HydrophobicContact CB-CE2 4.48Å
330	I	98.8	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.5	174.3	-62.5	166.6	0	0	0	107.5	R280 V281 V282 F371 F377 L426 V436 V438	R280-I330 PolarHBondContact O-N 2.75Å; V281-I330 CarbonylContact C-O 3.52Å; V281-I330 WeakPolarHBondContact CA-O 3.39Å; V281-I330 HydrophobicContact CG1-CB 4.42Å; V281-I330 HydrophobicContact CG1-CG2 4.37Å; V281-I330 HydrophobicContact CG2-CB 4.36Å; V282-I330 PolarHBondContact N-O 3.11Å; I330-F371 CarbonylContact C-O 3.2Å; I330-F371 WeakPolarHBondContact CA-O 3.1Å; I330-F377 HydrophobicContact CD1-CE2 4.21Å; I330-F377 HydrophobicContact CD1-CZ 4.47Å; I330-F377 HydrophobicContact CG1-CE2 4.24Å; I330-L426 HydrophobicContact CD1-CD1 4.15Å; I330-L426 HydrophobicContact CG1-CD1 4.11Å; I330-V436 HydrophobicContact CD1-CG1 4.44Å; I330-V438 HydrophobicContact CD1-CG2 3.86Å; I330-V438 HydrophobicContact CG2-CG1 3.78Å; I330-V438 HydrophobicContact CG2-CG2 4.26Å
331	I	98.9	Very high	98.2	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	114.9	176.8	-52.4	178	0	0	0	108.3	V282 L323 A328 L333 L349 L354 T370 F371	V282-I331 HydrophobicContact CB-CB 4.31Å; V282-I331 HydrophobicContact CB-CG1 4.19Å; V282-I331 HydrophobicContact CB-CG2 4.02Å; V282-I331 HydrophobicContact CG1-CG2 4.05Å; V282-I331 HydrophobicContact CG2-CG1 4.32Å; L323-I331 HydrophobicContact CB-CD1 4.45Å; L323-I331 HydrophobicContact CD2-CG2 4.05Å; A328-I331 HydrophobicContact CB-CD1 4.03Å; A328-I331 HydrophobicContact CB-CG1 3.62Å; I331-L333 HydrophobicContact CG2-CD1 4.33Å; I331-L333 HydrophobicContact CG2-CD2 3.5Å; I331-L333 HydrophobicContact CG2-CG 3.79Å; I331-L349 HydrophobicContact CD1-CD1 4.33Å; I331-L349 HydrophobicContact CD1-CD2 4.31Å; I331-L354 HydrophobicContact CD1-CD2 3.75Å; I331-L354 HydrophobicContact CG1-CD2 4.05Å; I331-T370 CarbonylContact O-C 3.41Å; I331-T370 VanDerWaalsContact O-CA 3.31Å; I331-T370 WeakPolarHBondContact O-CA 3.46Å; I331-F371 HydrophobicContact CB-CB 4.21Å; I331-F371 PolarHBondContact N-O 2.8Å; I331-F371 PolarHBondContact O-N 2.85Å
332	C	99	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.4	173.5	-67.4	0	0	0	0	109.3	V282 S283 Y284 A369 V438 N440 C481	V282-C332 PolarHBondContact O-N 2.8Å; S283-C332 CarbonylContact C-O 3.56Å; S283-C332 VanDerWaalsContact CA-O 3.29Å; S283-C332 WeakPolarHBondContact CA-O 3.36Å; Y284-C332 PolarHBondContact N-O 2.8Å; C332-A369 CarbonylContact C-O 3.53Å; C332-A369 WeakPolarHBondContact CA-O 3.26Å; C332-V438 VanDerWaalsContact SG-CG1 3.56Å; C332-N440 HydrophobicContact CB-CB 4.01Å; C332-C481 HydrophobicContact CB-CB 3.38Å
333	L	98.9	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.3	-177.4	-55.4	178.7	0	0	0	111	Y284 I286 L323 I331 V336 L345 L368 A369 F371 N440	Y284-L333 VanDerWaalsContact O-CA 3.25Å; Y284-L333 WeakPolarHBondContact O-CA 3.44Å; I286-L333 HydrophobicContact CG2-CD2 4.03Å; L323-L333 HydrophobicContact CD1-CD1 3.96Å; L323-L333 HydrophobicContact CD1-CD2 4.2Å; L323-L333 HydrophobicContact CD2-CD2 4.26Å; I331-L333 HydrophobicContact CG2-CD1 4.33Å; I331-L333 HydrophobicContact CG2-CD2 3.5Å; I331-L333 HydrophobicContact CG2-CG 3.79Å; L333-V336 HydrophobicContact CB-CG2 3.5Å; L333-V336 HydrophobicContact CD1-CG2 4.37Å; L333-L345 HydrophobicContact CD1-CD1 3.67Å; L333-L368 WeakPolarHBondContact O-CA 3.2Å; L333-A369 HydrophobicContact CB-CB 4.33Å; L333-A369 PolarHBondContact N-O 3.34Å; L333-A369 PolarHBondContact O-N 3.18Å; L333-F371 HydrophobicContact CD1-CD2 4.32Å; L333-F371 HydrophobicContact CD1-CE2 4.05Å; L333-N440 PolarHBondContact N-ND2 3.2Å; L333-N440 PolarHBondContact O-ND2 3Å
334	Q	98.9	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.5	171.5	-52.9	78.9	39.3	0	0	109.5	S283 Y284 N285 I286 V336 L368 N440 T441 H442 D483	S283-Q334 PolarHBondContact OG-NE2 2.97Å; Y284-Q334 PolarHBondContact O-N 3.43Å; Y284-Q334 PolarHBondContact O-OE1 3.02Å; N285-Q334 HydrophobicContact CB-CB 4.11Å; I286-Q334 WeakPolarHBondContact CG1-O 3.35Å; I286-Q334 PolarHBondContact N-O 3.41Å; I286-Q334 VanDerWaalsContact N-O 3.07Å; Q334-V336 VanDerWaalsContact C-N 3.32Å; Q334-V336 PolarHBondContact O-N 3.47Å; Q334-L368 HydrophobicContact CB-CD2 4.18Å; Q334-L368 HydrophobicContact CG-CD2 3.92Å; Q334-N440 PolarHBondContact NE2-OD1 3.09Å; Q334-T441 WeakPolarHBondContact CG-O 3.4Å; Q334-H442 HydrophobicContact CB-CB 4.01Å; Q334-H442 HydrophobicContact CG-CB 3.94Å; Q334-D483 HydrophobicContact CG-CB 4.2Å
335	E	98.6	Very high	97.7	Very high	19 Å²	19	22.2 Å²	22.2	9%	0.089	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.2	40.2	-179.3	-64.9	-162.8	-154.5	0	0	114.2	N285 L287 A288 Y291 E366 G367 H442	N285-E335 PolarHBondContact ND2-OE1 2.78Å; N285-E335 VanDerWaalsContact OD1-CB 3.25Å; N285-E335 WeakPolarHBondContact OD1-CB 3.22Å; N285-E335 VanDerWaalsContact OD1-CG 3.25Å; N285-E335 WeakPolarHBondContact OD1-CG 3.42Å; N285-E335 PolarHBondContact OD1-OE1 3.42Å; L287-E335 WeakPolarHBondContact CA-OE2 3.14Å; A288-E335 WeakPolarHBondContact CA-O 3.36Å; A288-E335 HydrophobicContact CB-CB 3.88Å; A288-E335 WeakPolarHBondContact CB-O 3.47Å; A288-E335 PolarHBondContact N-OE2 3.41Å; Y291-E335 WeakPolarHBondContact CD2-OE2 3.19Å; Y291-E335 HydrophobicContact CE2-CG 4.48Å; E335-E366 WeakPolarHBondContact CA-OE2 3.45Å; E335-E366 PolarHBondContact N-OE2 3.01Å; E335-G367 PolarHBondContact N-O 2.81Å; E335-H442 IonicContact OE1-CE1 3.03Å; E335-H442 PolarHBondContact OE1-CE1 2.97Å; E335-H442 VanDerWaalsContact OE1-CE1 3.26Å
336	V	98.7	Very high	97.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108	178	-171.5	0	0	0	0	109.6	I286 L333 Q334 V340 F341 L345 F358 E366 G367 A369	I286-V336 HydrophobicContact CD1-CB 4.4Å; I286-V336 HydrophobicContact CD1-CG1 4.39Å; I286-V336 HydrophobicContact CD1-CG2 3.89Å; I286-V336 HydrophobicContact CG1-CG2 4.2Å; L333-V336 HydrophobicContact CB-CG2 3.5Å; L333-V336 HydrophobicContact CD1-CG2 4.37Å; Q334-V336 VanDerWaalsContact C-N 3.32Å; Q334-V336 PolarHBondContact O-N 3.47Å; V336-V340 HydrophobicContact CG1-CB 4.49Å; V336-V340 HydrophobicContact CG1-CG1 4.12Å; V336-F341 HydrophobicContact CG1-CB 3.81Å; V336-L345 HydrophobicContact CG1-CD1 3.74Å; V336-F358 HydrophobicContact CB-CE2 4.05Å; V336-F358 HydrophobicContact CG1-CE2 4.24Å; V336-F358 VanDerWaalsContact O-CE2 3.31Å; V336-F358 WeakPolarHBondContact O-CE2 3.36Å; V336-E366 CarbonylContact O-C 3.5Å; V336-E366 VanDerWaalsContact O-CA 3.27Å; V336-E366 WeakPolarHBondContact O-CA 3.5Å; V336-G367 PolarHBondContact N-O 2.79Å; V336-G367 PolarHBondContact O-N 3.27Å; V336-A369 HydrophobicContact CG2-CB 4.06Å
337	D	98	Very high	97.4	Very high	22 Å²	22	24.1 Å²	24.1	12%	0.118	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	144.9	170.6	-57.5	-90.1	0	0	0	110.8	A288 D289 G339 V340 F341	A288-D337 WeakPolarHBondContact CA-OD2 3.38Å; D289-D337 PolarHBondContact N-OD2 2.86Å; D337-G339 VanDerWaalsContact C-N 3.26Å; D337-G339 PolarHBondContact O-N 2.82Å; D337-V340 HydrophobicContact CB-CB 4.04Å; D337-V340 HydrophobicContact CB-CG2 3.86Å; D337-V340 WeakPolarHBondContact O-CA 3.39Å; D337-V340 WeakPolarHBondContact O-CB 3.37Å; D337-V340 PolarHBondContact O-N 2.88Å; D337-F341 PolarHBondContact O-N 3.19Å
338	K	95.7	Very high	97.3	Very high	130 Å²	130	22 Å²	22	57%	0.565	13%	0.125	S	C	*	.	H	α-helix	trans	-54.7	-42.4	179	-176.9	179.6	178.6	179.5	0	112.7	F341 V342 F358 H365	K338-F341 PolarHBondContact O-N 2.96Å; K338-V342 WeakPolarHBondContact O-CG2 3.43Å; K338-V342 PolarHBondContact O-N 2.87Å; K338-F358 HydrophobicContact CB-CE1 4.21Å; K338-F358 HydrophobicContact CB-CZ 4.41Å; K338-F358 HydrophobicContact CG-CE1 4.26Å; K338-H365 PolarHBondContact N-O 3.26Å
339	G	95.3	Very high	97.3	Very high	35 Å²	35	22.1 Å²	22.1	36%	0.361	13%	0.125	S	C	.	.	H	α-helix	trans	-65.8	-41.2	176.5	0	0	0	0	0	112	D337 F341 V342 D343	D337-G339 VanDerWaalsContact C-N 3.26Å; D337-G339 PolarHBondContact O-N 2.82Å; G339-F341 VanDerWaalsContact C-N 3.34Å; G339-F341 PolarHBondContact O-N 2.75Å; G339-V342 PolarHBondContact O-N 2.89Å; G339-D343 WeakPolarHBondContact O-CA 3.43Å; G339-D343 WeakPolarHBondContact O-CB 3.35Å; G339-D343 PolarHBondContact O-N 3.34Å
340	V	97.1	Very high	97.2	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.03	13%	0.134	C	C	.	.	I	π-helix	trans	-58.9	-45.1	175.5	166.4	0	0	0	0	111.3	I286 L312 Q316 V336 D337 S344 L345	I286-V340 HydrophobicContact CD1-CG1 4.12Å; L312-V340 HydrophobicContact CD1-CG2 3.74Å; L312-V340 HydrophobicContact CD2-CG2 4.02Å; L312-V340 HydrophobicContact CG-CG2 4.34Å; Q316-V340 HydrophobicContact CG-CG2 4.45Å; V336-V340 HydrophobicContact CG1-CB 4.49Å; V336-V340 HydrophobicContact CG1-CG1 4.12Å; D337-V340 HydrophobicContact CB-CB 4.04Å; D337-V340 HydrophobicContact CB-CG2 3.86Å; D337-V340 WeakPolarHBondContact O-CA 3.39Å; D337-V340 WeakPolarHBondContact O-CB 3.37Å; D337-V340 PolarHBondContact O-N 2.88Å; V340-S344 WeakPolarHBondContact O-CA 3.15Å; V340-S344 WeakPolarHBondContact O-CB 3.39Å; V340-S344 PolarHBondContact O-N 2.96Å; V340-L345 HydrophobicContact CG1-CD1 3.76Å; V340-L345 HydrophobicContact CG1-CG 3.8Å; V340-L345 PolarHBondContact O-N 3.3Å
341	F	97.8	Very high	97	Very high	25 Å²	25	25.2 Å²	25.2	11%	0.11	15%	0.146	C	C	.	.	I	π-helix	trans	-60.4	-51.1	177.5	-178.9	-99.9	0	0	0	112.2	V336 D337 K338 G339 T346 F358 A369 F371	V336-F341 HydrophobicContact CG1-CB 3.81Å; D337-F341 PolarHBondContact O-N 3.19Å; K338-F341 PolarHBondContact O-N 2.96Å; G339-F341 VanDerWaalsContact C-N 3.34Å; G339-F341 PolarHBondContact O-N 2.75Å; F341-T346 WeakPolarHBondContact O-CB 3.49Å; F341-T346 PolarHBondContact O-N 2.9Å; F341-T346 PolarHBondContact O-OG1 3.2Å; F341-F358 HydrophobicContact CB-CD2 4.04Å; F341-F358 HydrophobicContact CB-CE2 4.39Å; F341-F358 HydrophobicContact CB-CG 4.22Å; F341-F358 HydrophobicContact CD1-CB 3.53Å; F341-F358 HydrophobicContact CD1-CD1 4.37Å; F341-F358 HydrophobicContact CD1-CD2 4.47Å; F341-F358 AromaticContact CD1-CG 3.91Å; F341-F358 HydrophobicContact CD1-CG 3.91Å; F341-F358 HydrophobicContact CD2-CB 3.79Å; F341-F358 HydrophobicContact CD2-CD2 4.04Å; F341-F358 HydrophobicContact CD2-CG 4.16Å; F341-F358 HydrophobicContact CE1-CB 3.46Å; F341-F358 VanDerWaalsContact CE1-CB 3.46Å; F341-F358 HydrophobicContact CE1-CG 4.34Å; F341-F358 HydrophobicContact CE2-CB 3.72Å; F341-F358 HydrophobicContact CG-CB 3.7Å; F341-F358 AromaticContact CG-CD2 3.92Å; F341-F358 HydrophobicContact CG-CD2 3.92Å; F341-F358 AromaticContact CG-CG 3.81Å; F341-F358 HydrophobicContact CG-CG 3.81Å; F341-F358 HydrophobicContact CZ-CB 3.56Å; F341-A369 HydrophobicContact CD2-CB 3.83Å; F341-A369 HydrophobicContact CE2-CB 3.96Å; F341-F371 HydrophobicContact CD2-CE2 4.2Å; F341-F371 AromaticContact CD2-CZ 3.77Å; F341-F371 HydrophobicContact CD2-CZ 3.77Å; F341-F371 HydrophobicContact CE2-CE1 4.05Å; F341-F371 AromaticContact CE2-CE2 3.94Å; F341-F371 HydrophobicContact CE2-CE2 3.94Å; F341-F371 AromaticContact CE2-CZ 3.4Å; F341-F371 HydrophobicContact CE2-CZ 3.4Å; F341-F371 VanDerWaalsContact CE2-CZ 3.4Å; F341-F371 HydrophobicContact CZ-CZ 4.4Å
342	V	95.3	Very high	96.9	Very high	62 Å²	62	28.3 Å²	28.3	38%	0.376	16%	0.159	S	C	.	.	I	π-helix	trans	-75.3	-40.7	-173.2	176.9	0	0	0	0	112.5	K338 G339 P347	K338-V342 WeakPolarHBondContact O-CG2 3.43Å; K338-V342 PolarHBondContact O-N 2.87Å; G339-V342 PolarHBondContact O-N 2.89Å; V342-P347 WeakPolarHBondContact O-CD 3.25Å
343	D	94.2	Very high	96.7	Very high	81 Å²	81	29.4 Å²	29.4	43%	0.433	17%	0.171	S	C	.	.	I	π-helix	trans	-100.8	-22.3	-166.6	-57.2	-41.9	0	0	0	113.4	K167 G339	K167-D343 VanDerWaalsContact CE-OD1 3.25Å; K167-D343 WeakPolarHBondContact CE-OD1 3.31Å; K167-D343 IonicContact NZ-OD1 3.67Å; K167-D343 PolarHBondContact NZ-OD1 3.2Å; G339-D343 WeakPolarHBondContact O-CA 3.43Å; G339-D343 WeakPolarHBondContact O-CB 3.35Å; G339-D343 PolarHBondContact O-N 3.34Å
344	S	95.6	Very high	96.7	Very high	19 Å²	19	29.7 Å²	29.7	13%	0.133	17%	0.172	C	C	.	.	I	π-helix	trans	-117.6	-62	-176.6	-178.6	0	0	0	0	112.8	Q316 V340 P347 A348	Q316-S344 VanDerWaalsContact OE1-CB 3.3Å; Q316-S344 PolarHBondContact OE1-OG 2.6Å; V340-S344 WeakPolarHBondContact O-CA 3.15Å; V340-S344 WeakPolarHBondContact O-CB 3.39Å; V340-S344 PolarHBondContact O-N 2.96Å; S344-P347 WeakPolarHBondContact O-CD 3.36Å; S344-A348 VanDerWaalsContact O-CB 3.25Å; S344-A348 WeakPolarHBondContact O-CB 3.15Å; S344-A348 PolarHBondContact O-N 3.01Å
345	L	98.1	Very high	96.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.184	C	C	.	.	I	π-helix	trans	-72.5	-46.6	-170.9	-63.2	178.4	0	0	0	112.7	I286 V319 L323 L333 V336 V340 A348 L349 F371	I286-L345 HydrophobicContact CD1-CD1 3.91Å; V319-L345 HydrophobicContact CG1-CD2 3.94Å; L323-L345 HydrophobicContact CD1-CD2 4.21Å; L333-L345 HydrophobicContact CD1-CD1 3.67Å; V336-L345 HydrophobicContact CG1-CD1 3.74Å; V340-L345 HydrophobicContact CG1-CD1 3.76Å; V340-L345 HydrophobicContact CG1-CG 3.8Å; V340-L345 PolarHBondContact O-N 3.3Å; L345-A348 PolarHBondContact O-N 3.42Å; L345-L349 WeakPolarHBondContact O-CB 3.2Å; L345-L349 WeakPolarHBondContact O-CG 3.23Å; L345-L349 PolarHBondContact O-N 3.3Å; L345-F371 HydrophobicContact CB-CE2 4.36Å; L345-F371 HydrophobicContact CB-CZ 3.87Å
346	T	96.9	Very high	96.6	Very high	49 Å²	49	32.4 Å²	32.4	30%	0.301	19%	0.194	S	C	.	.	H	α-helix	trans	-60	-50.7	179.6	-60.4	0	0	0	0	111.5	F341 A348 D350	F341-T346 WeakPolarHBondContact O-CB 3.49Å; F341-T346 PolarHBondContact O-N 2.9Å; F341-T346 PolarHBondContact O-OG1 3.2Å; T346-A348 VanDerWaalsContact C-N 3.29Å; T346-A348 PolarHBondContact O-N 3.21Å; T346-D350 WeakPolarHBondContact O-CB 3.47Å; T346-D350 PolarHBondContact O-N 2.73Å
347	P	94.6	Very high	96.6	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.071	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-35.3	177.6	-25.4	36.4	0	0	0	114	K167 R217 V342 S344	K167-P347 HydrophobicContact CB-CB 4.42Å; K167-P347 HydrophobicContact CB-CG 4.13Å; K167-P347 HydrophobicContact CG-CG 3.96Å; R217-P347 PolarHBondContact NH2-O 3.23Å; V342-P347 WeakPolarHBondContact O-CD 3.25Å; S344-P347 WeakPolarHBondContact O-CD 3.36Å
348	A	96.3	Very high	96.7	Very high	2 Å²	2	35 Å²	35	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-71.3	-56.4	178.9	0	0	0	0	0	111.6	C165 K320 S344 L345 T346 D350 A351 F352	C165-A348 HydrophobicContact CB-CB 3.93Å; K320-A348 HydrophobicContact CB-CB 4.44Å; K320-A348 HydrophobicContact CD-CB 3.76Å; K320-A348 HydrophobicContact CG-CB 3.75Å; S344-A348 VanDerWaalsContact O-CB 3.25Å; S344-A348 WeakPolarHBondContact O-CB 3.15Å; S344-A348 PolarHBondContact O-N 3.01Å; L345-A348 PolarHBondContact O-N 3.42Å; T346-A348 VanDerWaalsContact C-N 3.29Å; T346-A348 PolarHBondContact O-N 3.21Å; A348-D350 PolarHBondContact O-N 3.09Å; A348-A351 WeakPolarHBondContact O-CB 3.3Å; A348-A351 PolarHBondContact O-N 3.05Å; A348-A351 VanDerWaalsContact O-N 3.1Å; A348-F352 WeakPolarHBondContact O-CD2 3.28Å; A348-F352 PolarHBondContact O-N 2.94Å
349	L	97.9	Very high	96.8	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-29.3	-174	-64	179.3	0	0	0	112.8	L323 I331 L345 A351 F352 G353 L354 F371	L323-L349 HydrophobicContact CB-CD2 4.08Å; L323-L349 HydrophobicContact CD1-CD1 4.43Å; I331-L349 HydrophobicContact CD1-CD1 4.33Å; I331-L349 HydrophobicContact CD1-CD2 4.31Å; L345-L349 WeakPolarHBondContact O-CB 3.2Å; L345-L349 WeakPolarHBondContact O-CG 3.23Å; L345-L349 PolarHBondContact O-N 3.3Å; L349-A351 VanDerWaalsContact C-N 3.3Å; L349-A351 PolarHBondContact O-N 2.99Å; L349-F352 CarbonylContact O-C 3.48Å; L349-F352 WeakPolarHBondContact O-CA 3.29Å; L349-F352 PolarHBondContact O-N 3.36Å; L349-G353 PolarHBondContact O-N 2.97Å; L349-G353 VanDerWaalsContact O-N 3.11Å; L349-L354 CarbonylContact C-O 3.53Å; L349-L354 HydrophobicContact CB-CB 4.25Å; L349-L354 HydrophobicContact CB-CD1 4.5Å; L349-L354 PolarHBondContact O-N 3.21Å; L349-F371 HydrophobicContact CB-CD1 3.96Å; L349-F371 HydrophobicContact CB-CE1 4.1Å; L349-F371 HydrophobicContact CD1-CB 4.28Å; L349-F371 HydrophobicContact CD1-CD1 3.64Å; L349-F371 HydrophobicContact CD1-CD2 3.61Å; L349-F371 HydrophobicContact CD1-CE1 3.78Å; L349-F371 HydrophobicContact CD1-CE2 3.74Å; L349-F371 HydrophobicContact CD1-CG 3.57Å; L349-F371 HydrophobicContact CD1-CZ 3.82Å; L349-F371 HydrophobicContact CG-CD1 4.46Å; L349-F371 HydrophobicContact CG-CE1 4.5Å
350	D	96.3	Very high	96.8	Very high	34 Å²	34	33.2 Å²	33.2	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-40.3	168.3	170.4	55.5	0	0	0	111.5	R217 T346 A348 F352 G353 L354 R374	R217-D350 IonicContact CZ-OD2 2.95Å; R217-D350 IonicContact NH1-OD2 2.84Å; R217-D350 PolarHBondContact NH1-OD2 3.03Å; R217-D350 IonicContact NH2-OD2 3.16Å; R217-D350 PolarHBondContact NH2-OD2 2.98Å; T346-D350 WeakPolarHBondContact O-CB 3.47Å; T346-D350 PolarHBondContact O-N 2.73Å; A348-D350 PolarHBondContact O-N 3.09Å; D350-F352 PolarHBondContact O-N 3.18Å; D350-G353 PolarHBondContact O-N 3.01Å; D350-L354 WeakPolarHBondContact CA-O 3.46Å; D350-L354 PolarHBondContact N-O 3.05Å; D350-R374 IonicContact OD1-CZ 3.11Å; D350-R374 IonicContact OD1-NH1 2.86Å; D350-R374 IonicContact OD1-NH2 4Å; D350-R374 PolarHBondContact OD1-NH2 2.85Å
351	A	95.3	Very high	96.7	Very high	31 Å²	31	33.3 Å²	33.3	26%	0.256	19%	0.19	S	C	.	.	H	α-helix	trans	-65.5	-20.1	175.4	0	0	0	0	0	113.2	R217 V218 A348 L349	R217-A351 HydrophobicContact CG-CB 4.44Å; V218-A351 HydrophobicContact CG2-CB 3.53Å; A348-A351 WeakPolarHBondContact O-CB 3.3Å; A348-A351 PolarHBondContact O-N 3.05Å; A348-A351 VanDerWaalsContact O-N 3.1Å; L349-A351 VanDerWaalsContact C-N 3.3Å; L349-A351 PolarHBondContact O-N 2.99Å
352	F	95.4	Very high	96.2	Very high	65 Å²	65	35.9 Å²	35.9	29%	0.285	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	10	173	-62.7	-73.4	0	0	0	113.4	P163 V218 A324 A348 L349 D350 L354 R373	P163-F352 HydrophobicContact CB-CZ 4.33Å; V218-F352 HydrophobicContact CG1-CZ 4.34Å; V218-F352 HydrophobicContact CG2-CZ 4.48Å; A324-F352 HydrophobicContact CB-CD1 4.15Å; A324-F352 HydrophobicContact CB-CD2 3.59Å; A324-F352 HydrophobicContact CB-CE1 3.93Å; A324-F352 HydrophobicContact CB-CE2 3.37Å; A324-F352 HydrophobicContact CB-CG 4.01Å; A324-F352 HydrophobicContact CB-CZ 3.56Å; A348-F352 WeakPolarHBondContact O-CD2 3.28Å; A348-F352 PolarHBondContact O-N 2.94Å; L349-F352 CarbonylContact O-C 3.48Å; L349-F352 WeakPolarHBondContact O-CA 3.29Å; L349-F352 PolarHBondContact O-N 3.36Å; D350-F352 PolarHBondContact O-N 3.18Å; F352-L354 HydrophobicContact CB-CD1 4.09Å; F352-R373 PolarHBondContact O-NH1 2.9Å
353	G	96.4	Very high	95.6	Very high	23 Å²	23	41.7 Å²	41.7	24%	0.237	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	23.8	172.1	0	0	0	0	0	115.2	L349 D350 R374	L349-G353 PolarHBondContact O-N 2.97Å; L349-G353 VanDerWaalsContact O-N 3.11Å; D350-G353 PolarHBondContact O-N 3.01Å; G353-R374 WeakPolarHBondContact O-CB 3.44Å; G353-R374 PolarHBondContact O-N 3.01Å
354	L	98.3	Very high	95.3	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.3	173.2	-59.5	91.3	0	0	0	111.3	I331 L349 D350 F352 F371 Y372	I331-L354 HydrophobicContact CD1-CD2 3.75Å; I331-L354 HydrophobicContact CG1-CD2 4.05Å; L349-L354 CarbonylContact C-O 3.53Å; L349-L354 HydrophobicContact CB-CB 4.25Å; L349-L354 HydrophobicContact CB-CD1 4.5Å; L349-L354 PolarHBondContact O-N 3.21Å; D350-L354 WeakPolarHBondContact CA-O 3.46Å; D350-L354 PolarHBondContact N-O 3.05Å; F352-L354 HydrophobicContact CB-CD1 4.09Å; L354-F371 HydrophobicContact CB-CB 4.22Å; L354-F371 HydrophobicContact CD2-CB 4.02Å; L354-Y372 CarbonylContact C-O 3.57Å; L354-Y372 VanDerWaalsContact CA-O 3.27Å; L354-Y372 WeakPolarHBondContact CA-O 3.31Å
355	D	98.1	Very high	95	Very high	47 Å²	47	45.9 Å²	45.9	25%	0.251	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	156.9	165.1	-69.2	-46.6	0	0	0	109.5	F371 Y372 R374	D355-F371 CarbonylContact O-C 3.57Å; D355-F371 WeakPolarHBondContact O-CA 3.23Å; D355-F371 WeakPolarHBondContact O-CB 3.23Å; D355-Y372 HydrophobicContact CB-CD2 4.34Å; D355-Y372 HydrophobicContact CB-CE1 4.13Å; D355-Y372 HydrophobicContact CB-CE2 3.68Å; D355-Y372 PolarHBondContact N-O 2.85Å; D355-Y372 PolarHBondContact O-N 2.83Å; D355-R374 IonicContact OD1-CZ 2.77Å; D355-R374 IonicContact OD1-NE 3.8Å; D355-R374 PolarHBondContact OD1-NE 3.13Å; D355-R374 IonicContact OD1-NH2 3.18Å; D355-R374 PolarHBondContact OD1-NH2 3.1Å; D355-R374 WeakPolarHBondContact OD2-CB 3.26Å; D355-R374 VanDerWaalsContact OD2-CG 3.29Å; D355-R374 WeakPolarHBondContact OD2-CG 3.35Å; D355-R374 IonicContact OD2-CZ 3.22Å; D355-R374 IonicContact OD2-NE 3.73Å; D355-R374 PolarHBondContact OD2-NE 2.85Å; D355-R374 IonicContact OD2-NH2 2.74Å
356	G	98.2	Very high	94.9	Very high	29 Å²	29	45.9 Å²	45.9	30%	0.299	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.5	-175	0	0	0	0	0	114	T370 F371	G356-T370 WeakPolarHBondContact CA-O 3.1Å; G356-F371 VanDerWaalsContact CA-CD1 3.43Å
357	V	98.6	Very high	95	Very high	29 Å²	29	43.6 Å²	43.6	18%	0.176	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.5	170.3	-69.3	0	0	0	0	110.5	A369 T370 L379 Q422	V357-A369 VanDerWaalsContact O-CA 3.3Å; V357-A369 WeakPolarHBondContact O-CA 3.38Å; V357-T370 PolarHBondContact N-O 2.67Å; V357-T370 PolarHBondContact O-N 3.1Å; V357-L379 HydrophobicContact CG1-CD2 3.58Å; V357-Q422 PolarHBondContact O-NE2 2.91Å; V357-Q422 VanDerWaalsContact O-NE2 3.09Å
358	F	98.6	Very high	95.2	Very high	48 Å²	48	43 Å²	43	21%	0.211	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.1	-175.6	177.4	-111.6	0	0	0	111.6	V336 K338 F341 L360 L368 A369	V336-F358 HydrophobicContact CB-CE2 4.05Å; V336-F358 HydrophobicContact CG1-CE2 4.24Å; V336-F358 VanDerWaalsContact O-CE2 3.31Å; V336-F358 WeakPolarHBondContact O-CE2 3.36Å; K338-F358 HydrophobicContact CB-CE1 4.21Å; K338-F358 HydrophobicContact CB-CZ 4.41Å; K338-F358 HydrophobicContact CG-CE1 4.26Å; F341-F358 HydrophobicContact CB-CD2 4.04Å; F341-F358 HydrophobicContact CB-CE2 4.39Å; F341-F358 HydrophobicContact CB-CG 4.22Å; F341-F358 HydrophobicContact CD1-CB 3.53Å; F341-F358 HydrophobicContact CD1-CD1 4.37Å; F341-F358 HydrophobicContact CD1-CD2 4.47Å; F341-F358 AromaticContact CD1-CG 3.91Å; F341-F358 HydrophobicContact CD1-CG 3.91Å; F341-F358 HydrophobicContact CD2-CB 3.79Å; F341-F358 HydrophobicContact CD2-CD2 4.04Å; F341-F358 HydrophobicContact CD2-CG 4.16Å; F341-F358 HydrophobicContact CE1-CB 3.46Å; F341-F358 VanDerWaalsContact CE1-CB 3.46Å; F341-F358 HydrophobicContact CE1-CG 4.34Å; F341-F358 HydrophobicContact CE2-CB 3.72Å; F341-F358 HydrophobicContact CG-CB 3.7Å; F341-F358 AromaticContact CG-CD2 3.92Å; F341-F358 HydrophobicContact CG-CD2 3.92Å; F341-F358 AromaticContact CG-CG 3.81Å; F341-F358 HydrophobicContact CG-CG 3.81Å; F341-F358 HydrophobicContact CZ-CB 3.56Å; F358-L360 HydrophobicContact CE1-CB 3.72Å; F358-L360 HydrophobicContact CE1-CD1 4.07Å; F358-L360 HydrophobicContact CE1-CG 4.48Å; F358-L360 HydrophobicContact CZ-CB 4.12Å; F358-L360 HydrophobicContact CZ-CD1 3.9Å; F358-L368 CarbonylContact C-O 3.6Å; F358-L368 WeakPolarHBondContact CA-O 3.43Å; F358-L368 WeakPolarHBondContact CD2-O 3.29Å; F358-A369 HydrophobicContact CD2-CB 4.32Å
359	R	97.8	Very high	95.3	Very high	60 Å²	60	43 Å²	43	23%	0.226	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.3	172.1	179.2	62.6	-177.5	-160.9	4.9	109.1	G367 L368 D384 Q422	R359-G367 CarbonylContact O-C 3.58Å; R359-G367 VanDerWaalsContact O-CA 3.28Å; R359-G367 WeakPolarHBondContact O-CA 3.15Å; R359-L368 HydrophobicContact CB-CB 4.48Å; R359-L368 PolarHBondContact N-O 3.16Å; R359-L368 PolarHBondContact O-N 3.01Å; R359-D384 WeakPolarHBondContact CB-OD2 3.23Å; R359-D384 HydrophobicContact CG-CB 4.11Å; R359-Q422 HydrophobicContact CB-CB 4.26Å; R359-Q422 HydrophobicContact CB-CG 4.34Å
360	L	96.9	Very high	95.3	Very high	67 Å²	67	42.8 Å²	42.8	35%	0.351	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.1	170.1	-173.7	66.4	0	0	0	109.2	F358 E366	F358-L360 HydrophobicContact CE1-CB 3.72Å; F358-L360 HydrophobicContact CE1-CD1 4.07Å; F358-L360 HydrophobicContact CE1-CG 4.48Å; F358-L360 HydrophobicContact CZ-CB 4.12Å; F358-L360 HydrophobicContact CZ-CD1 3.9Å; L360-E366 WeakPolarHBondContact CD1-O 3.49Å
361	K	93.3	Very high	95.5	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.03	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-74	132.8	170.6	-69.6	169	-169.3	160.8	0	108.9	Q364 E366 H442	K361-Q364 HydrophobicContact CB-CB 4.05Å; K361-Q364 HydrophobicContact CB-CG 4.4Å; K361-Q364 PolarHBondContact O-N 2.87Å; K361-E366 WeakPolarHBondContact CD-OE1 3.42Å; K361-E366 PolarHBondContact N-O 2.99Å; K361-E366 VanDerWaalsContact N-O 3.16Å; K361-E366 IonicContact NZ-OE1 3.73Å; K361-E366 PolarHBondContact NZ-OE1 2.8Å; K361-E366 IonicContact NZ-OE2 3.88Å; K361-E366 PolarHBondContact NZ-OE2 3.15Å; K361-H442 PolarHBondContact NZ-ND1 2.78Å
362	E	87.9	Confident	95.6	Very high	80 Å²	80	40.9 Å²	40.9	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	145.1	-179.7	-63.6	-166.9	-175.7	0	0	111	Q364 M386 S418	E362-Q364 PolarHBondContact O-N 3.14Å; E362-M386 HydrophobicContact CB-SD 4.13Å; E362-M386 HydrophobicContact CG-SD 4.32Å; E362-S418 WeakPolarHBondContact O-CB 3.14Å; E362-S418 PolarHBondContact O-OG 3.32Å
363	K	83.2	Confident	95.7	Very high	184 Å²	184	39 Å²	39	80%	0.8	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	12.9	-179	-48.8	170.6	-175.7	169.3	0	114.2
364	Q	87.6	Confident	95.8	Very high	61 Å²	61	41.2 Å²	41.2	29%	0.285	19%	0.194	S	C	.	.	S	Bend	trans	-126.2	170.5	176.9	-63.5	-175.2	-13	0	0	110.6	K361 E362 E366	K361-Q364 HydrophobicContact CB-CB 4.05Å; K361-Q364 HydrophobicContact CB-CG 4.4Å; K361-Q364 PolarHBondContact O-N 2.87Å; E362-Q364 PolarHBondContact O-N 3.14Å; Q364-E366 PolarHBondContact OE1-OE1 2.9Å
365	H	88.9	Confident	95.6	Very high	127 Å²	127	45.3 Å²	45.3	59%	0.588	22%	0.224	S	C	*	.	S	Bend	trans	-104.6	-9.1	-178.2	-63.1	-68.8	0	0	0	113.3	I290 K338	I290-H365 HydrophobicContact CB-CB 4.39Å; I290-H365 HydrophobicContact CG1-CB 4.2Å; I290-H365 HydrophobicContact CG2-CB 4.43Å; K338-H365 PolarHBondContact N-O 3.26Å
366	E	96.6	Very high	95.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	169.6	177.3	60.6	75.5	-148.6	0	0	111.5	A288 Y291 E335 V336 L360 K361 Q364	A288-E366 HydrophobicContact CB-CB 3.73Å; A288-E366 HydrophobicContact CB-CG 3.79Å; Y291-E366 HydrophobicContact CE2-CG 3.87Å; Y291-E366 PolarHBondContact OH-OE1 3.06Å; E335-E366 WeakPolarHBondContact CA-OE2 3.45Å; E335-E366 PolarHBondContact N-OE2 3.01Å; V336-E366 CarbonylContact O-C 3.5Å; V336-E366 VanDerWaalsContact O-CA 3.27Å; V336-E366 WeakPolarHBondContact O-CA 3.5Å; L360-E366 WeakPolarHBondContact CD1-O 3.49Å; K361-E366 WeakPolarHBondContact CD-OE1 3.42Å; K361-E366 PolarHBondContact N-O 2.99Å; K361-E366 VanDerWaalsContact N-O 3.16Å; K361-E366 IonicContact NZ-OE1 3.73Å; K361-E366 PolarHBondContact NZ-OE1 2.8Å; K361-E366 IonicContact NZ-OE2 3.88Å; K361-E366 PolarHBondContact NZ-OE2 3.15Å; Q364-E366 PolarHBondContact OE1-OE1 2.9Å
367	G	98.1	Very high	95.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	-151.5	175.3	0	0	0	0	0	113.4	E335 V336 R359	E335-G367 PolarHBondContact N-O 2.81Å; V336-G367 PolarHBondContact N-O 2.79Å; V336-G367 PolarHBondContact O-N 3.27Å; R359-G367 CarbonylContact O-C 3.58Å; R359-G367 VanDerWaalsContact O-CA 3.28Å; R359-G367 WeakPolarHBondContact O-CA 3.15Å
368	L	98.9	Very high	95.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.6	-172.3	-54.1	173.6	0	0	0	109.6	L333 Q334 F358 R359 S420 Q422 N440 H442	L333-L368 WeakPolarHBondContact O-CA 3.2Å; Q334-L368 HydrophobicContact CB-CD2 4.18Å; Q334-L368 HydrophobicContact CG-CD2 3.92Å; F358-L368 CarbonylContact C-O 3.6Å; F358-L368 WeakPolarHBondContact CA-O 3.43Å; F358-L368 WeakPolarHBondContact CD2-O 3.29Å; R359-L368 HydrophobicContact CB-CB 4.48Å; R359-L368 PolarHBondContact N-O 3.16Å; R359-L368 PolarHBondContact O-N 3.01Å; L368-S420 WeakPolarHBondContact CD1-O 3.4Å; L368-Q422 HydrophobicContact CB-CB 4.06Å; L368-Q422 HydrophobicContact CD1-CB 3.94Å; L368-Q422 PolarHBondContact O-NE2 3.35Å; L368-N440 WeakPolarHBondContact CD1-O 3.41Å; L368-H442 HydrophobicContact CD2-CB 3.88Å
369	A	98.9	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.2	171.5	0	0	0	0	0	111	C332 L333 V336 F341 V357 F358 F371 N440	C332-A369 CarbonylContact C-O 3.53Å; C332-A369 WeakPolarHBondContact CA-O 3.26Å; L333-A369 HydrophobicContact CB-CB 4.33Å; L333-A369 PolarHBondContact N-O 3.34Å; L333-A369 PolarHBondContact O-N 3.18Å; V336-A369 HydrophobicContact CG2-CB 4.06Å; F341-A369 HydrophobicContact CD2-CB 3.83Å; F341-A369 HydrophobicContact CE2-CB 3.96Å; V357-A369 VanDerWaalsContact O-CA 3.3Å; V357-A369 WeakPolarHBondContact O-CA 3.38Å; F358-A369 HydrophobicContact CD2-CB 4.32Å; A369-F371 HydrophobicContact CB-CD2 4.34Å; A369-F371 HydrophobicContact CB-CE2 3.79Å; A369-N440 PolarHBondContact O-ND2 2.84Å; A369-N440 VanDerWaalsContact O-ND2 3.14Å
370	T	98.9	Very high	95.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.3	169.5	-70.3	0	0	0	0	108	I331 G356 V357 Q422 V438	I331-T370 CarbonylContact O-C 3.41Å; I331-T370 VanDerWaalsContact O-CA 3.31Å; I331-T370 WeakPolarHBondContact O-CA 3.46Å; G356-T370 WeakPolarHBondContact CA-O 3.1Å; V357-T370 PolarHBondContact N-O 2.67Å; V357-T370 PolarHBondContact O-N 3.1Å; T370-Q422 PolarHBondContact OG1-OE1 3.05Å; T370-Q422 VanDerWaalsContact OG1-OE1 3.05Å; T370-V438 HydrophobicContact CG2-CG1 4.06Å
371	F	98.9	Very high	95.5	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.4	171.2	-64.7	-96.8	0	0	0	110.5	I330 I331 L333 F341 L345 L349 L354 D355 G356 A369	I330-F371 CarbonylContact C-O 3.2Å; I330-F371 WeakPolarHBondContact CA-O 3.1Å; I331-F371 HydrophobicContact CB-CB 4.21Å; I331-F371 PolarHBondContact N-O 2.8Å; I331-F371 PolarHBondContact O-N 2.85Å; L333-F371 HydrophobicContact CD1-CD2 4.32Å; L333-F371 HydrophobicContact CD1-CE2 4.05Å; F341-F371 HydrophobicContact CD2-CE2 4.2Å; F341-F371 AromaticContact CD2-CZ 3.77Å; F341-F371 HydrophobicContact CD2-CZ 3.77Å; F341-F371 HydrophobicContact CE2-CE1 4.05Å; F341-F371 AromaticContact CE2-CE2 3.94Å; F341-F371 HydrophobicContact CE2-CE2 3.94Å; F341-F371 AromaticContact CE2-CZ 3.4Å; F341-F371 HydrophobicContact CE2-CZ 3.4Å; F341-F371 VanDerWaalsContact CE2-CZ 3.4Å; F341-F371 HydrophobicContact CZ-CZ 4.4Å; L345-F371 HydrophobicContact CB-CE2 4.36Å; L345-F371 HydrophobicContact CB-CZ 3.87Å; L349-F371 HydrophobicContact CB-CD1 3.96Å; L349-F371 HydrophobicContact CB-CE1 4.1Å; L349-F371 HydrophobicContact CD1-CB 4.28Å; L349-F371 HydrophobicContact CD1-CD1 3.64Å; L349-F371 HydrophobicContact CD1-CD2 3.61Å; L349-F371 HydrophobicContact CD1-CE1 3.78Å; L349-F371 HydrophobicContact CD1-CE2 3.74Å; L349-F371 HydrophobicContact CD1-CG 3.57Å; L349-F371 HydrophobicContact CD1-CZ 3.82Å; L349-F371 HydrophobicContact CG-CD1 4.46Å; L349-F371 HydrophobicContact CG-CE1 4.5Å; L354-F371 HydrophobicContact CB-CB 4.22Å; L354-F371 HydrophobicContact CD2-CB 4.02Å; D355-F371 CarbonylContact O-C 3.57Å; D355-F371 WeakPolarHBondContact O-CA 3.23Å; D355-F371 WeakPolarHBondContact O-CB 3.23Å; G356-F371 VanDerWaalsContact CA-CD1 3.43Å; A369-F371 HydrophobicContact CB-CD2 4.34Å; A369-F371 HydrophobicContact CB-CE2 3.79Å
372	Y	98.8	Very high	95.8	Very high	24 Å²	24	48.8 Å²	48.8	9%	0.094	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142	179.3	56.3	-87.2	0	0	0	111.1	D329 L354 D355 R374 F377 L379 L426	D329-Y372 CarbonylContact O-C 3.6Å; D329-Y372 VanDerWaalsContact O-CA 3.25Å; D329-Y372 WeakPolarHBondContact O-CA 3.32Å; L354-Y372 CarbonylContact C-O 3.57Å; L354-Y372 VanDerWaalsContact CA-O 3.27Å; L354-Y372 WeakPolarHBondContact CA-O 3.31Å; D355-Y372 HydrophobicContact CB-CD2 4.34Å; D355-Y372 HydrophobicContact CB-CE1 4.13Å; D355-Y372 HydrophobicContact CB-CE2 3.68Å; D355-Y372 PolarHBondContact N-O 2.85Å; D355-Y372 PolarHBondContact O-N 2.83Å; Y372-R374 PolarHBondContact O-N 2.76Å; Y372-F377 HydrophobicContact CD2-CB 4.08Å; Y372-L379 HydrophobicContact CE1-CB 3.93Å; Y372-L379 HydrophobicContact CE2-CB 4.21Å; Y372-L379 VanDerWaalsContact OH-CB 3.23Å; Y372-L379 WeakPolarHBondContact OH-CB 3.25Å; Y372-L426 HydrophobicContact CD1-CD2 3.87Å; Y372-L426 HydrophobicContact CD2-CD2 4.37Å; Y372-L426 HydrophobicContact CE1-CD2 4.35Å; Y372-L426 HydrophobicContact CG-CD1 4.27Å; Y372-L426 HydrophobicContact CG-CD2 3.9Å
373	R	98	Very high	96.3	Very high	26 Å²	26	47.4 Å²	47.4	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	115	-178.2	179.2	173.7	-60.9	-72.1	-6.9	110.7	N327 A328 D329 F352 S375 K376 F377	N327-R373 VanDerWaalsContact C-NH2 3.28Å; N327-R373 PolarHBondContact O-NH2 3.11Å; A328-R373 PolarHBondContact O-NE 2.72Å; A328-R373 PolarHBondContact O-NH2 2.71Å; D329-R373 HydrophobicContact CB-CB 4.38Å; D329-R373 PolarHBondContact O-N 2.88Å; D329-R373 WeakPolarHBondContact OD1-CD 3.36Å; D329-R373 IonicContact OD1-NE 3.98Å; D329-R373 PolarHBondContact OD1-NE 2.77Å; F352-R373 PolarHBondContact O-NH1 2.9Å; R373-S375 WeakPolarHBondContact CD-OG 3.41Å; R373-S375 VanDerWaalsContact CG-OG 3.32Å; R373-S375 WeakPolarHBondContact CG-OG 3.45Å; R373-S375 PolarHBondContact O-N 3.03Å; R373-S375 VanDerWaalsContact O-N 3.12Å; R373-K376 HydrophobicContact CG-CG 4.49Å; R373-K376 PolarHBondContact O-N 2.79Å; R373-F377 PolarHBondContact O-N 3.41Å
374	R	96.8	Very high	97.1	Very high	68 Å²	68	40.5 Å²	40.5	26%	0.257	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.4	-178	-171.2	-174.6	-56.9	144.1	8.9	113.4	D350 G353 D355 Y372 K376 L429	D350-R374 IonicContact OD1-CZ 3.11Å; D350-R374 IonicContact OD1-NH1 2.86Å; D350-R374 IonicContact OD1-NH2 4Å; D350-R374 PolarHBondContact OD1-NH2 2.85Å; G353-R374 WeakPolarHBondContact O-CB 3.44Å; G353-R374 PolarHBondContact O-N 3.01Å; D355-R374 IonicContact OD1-CZ 2.77Å; D355-R374 IonicContact OD1-NE 3.8Å; D355-R374 PolarHBondContact OD1-NE 3.13Å; D355-R374 IonicContact OD1-NH2 3.18Å; D355-R374 PolarHBondContact OD1-NH2 3.1Å; D355-R374 WeakPolarHBondContact OD2-CB 3.26Å; D355-R374 VanDerWaalsContact OD2-CG 3.29Å; D355-R374 WeakPolarHBondContact OD2-CG 3.35Å; D355-R374 IonicContact OD2-CZ 3.22Å; D355-R374 IonicContact OD2-NE 3.73Å; D355-R374 PolarHBondContact OD2-NE 2.85Å; D355-R374 IonicContact OD2-NH2 2.74Å; Y372-R374 PolarHBondContact O-N 2.76Å; R374-K376 VanDerWaalsContact C-N 3.29Å; R374-K376 PolarHBondContact O-N 2.81Å; R374-L429 WeakPolarHBondContact O-CD1 3.26Å
375	S	95.6	Very high	97.6	Very high	93 Å²	93	38.9 Å²	38.9	65%	0.65	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-11	178.8	71.4	0	0	0	0	114.1	R373	R373-S375 WeakPolarHBondContact CD-OG 3.41Å; R373-S375 VanDerWaalsContact CG-OG 3.32Å; R373-S375 WeakPolarHBondContact CG-OG 3.45Å; R373-S375 PolarHBondContact O-N 3.03Å; R373-S375 VanDerWaalsContact O-N 3.12Å
376	K	96.2	Very high	98	Very high	21 Å²	21	33.9 Å²	33.9	9%	0.091	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-34.9	178.3	-69.4	-170	179.9	-178.4	0	112.4	A274 W276 A278 L279 D329 R373 R374 L429	A274-K376 PolarHBondContact O-NZ 2.94Å; W276-K376 HydrophobicContact CE3-CD 4.2Å; A278-K376 PolarHBondContact O-NZ 3.37Å; L279-K376 HydrophobicContact CD2-CD 4.45Å; D329-K376 HydrophobicContact CB-CD 4.25Å; D329-K376 WeakPolarHBondContact OD1-CD 3.37Å; D329-K376 VanDerWaalsContact OD1-CE 3.26Å; D329-K376 WeakPolarHBondContact OD1-CE 3.34Å; D329-K376 IonicContact OD1-NZ 3.36Å; D329-K376 PolarHBondContact OD1-NZ 3.47Å; D329-K376 VanDerWaalsContact OD1-NZ 3.13Å; D329-K376 IonicContact OD2-NZ 3.75Å; D329-K376 PolarHBondContact OD2-NZ 3.12Å; R373-K376 HydrophobicContact CG-CG 4.49Å; R373-K376 PolarHBondContact O-N 2.79Å; R374-K376 VanDerWaalsContact C-N 3.29Å; R374-K376 PolarHBondContact O-N 2.81Å; K376-L429 PolarHBondContact O-N 3.28Å
377	F	97.4	Very high	98.1	Very high	3 Å²	3	34 Å²	34	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.2	-171.8	-63.4	-70.5	0	0	0	112.7	L279 D329 I330 Y372 R373 L426 E427 D428 V436	L279-F377 HydrophobicContact CD1-CZ 3.92Å; L279-F377 HydrophobicContact CD2-CE2 3.73Å; L279-F377 HydrophobicContact CD2-CZ 3.45Å; L279-F377 VanDerWaalsContact CD2-CZ 3.45Å; L279-F377 HydrophobicContact CG-CZ 4.33Å; D329-F377 HydrophobicContact CB-CE2 4.48Å; I330-F377 HydrophobicContact CD1-CE2 4.21Å; I330-F377 HydrophobicContact CD1-CZ 4.47Å; I330-F377 HydrophobicContact CG1-CE2 4.24Å; Y372-F377 HydrophobicContact CD2-CB 4.08Å; R373-F377 PolarHBondContact O-N 3.41Å; F377-L426 HydrophobicContact CB-CB 4.23Å; F377-L426 HydrophobicContact CB-CD1 4.44Å; F377-L426 HydrophobicContact CD1-CB 3.89Å; F377-L426 HydrophobicContact CD2-CD1 4.46Å; F377-L426 HydrophobicContact CG-CB 4.18Å; F377-L426 HydrophobicContact CG-CD1 4.27Å; F377-E427 WeakPolarHBondContact CA-O 3.48Å; F377-D428 HydrophobicContact CE1-CB 4.39Å; F377-V436 HydrophobicContact CE1-CG1 4Å; F377-V436 HydrophobicContact CZ-CG1 4.32Å
378	R	97.7	Very high	98.1	Very high	128 Å²	128	34.3 Å²	34.3	48%	0.483	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.5	155.5	62.7	-179.8	-177	162.7	5	109.9	L380 E427 L429	R378-L380 PolarHBondContact O-N 3.23Å; R378-E427 HydrophobicContact CG-CB 4.08Å; R378-E427 IonicContact CZ-OE1 3.54Å; R378-E427 IonicContact CZ-OE2 3.76Å; R378-E427 PolarHBondContact N-O 2.92Å; R378-E427 IonicContact NE-OE1 3.83Å; R378-E427 PolarHBondContact NE-OE1 3.47Å; R378-E427 IonicContact NE-OE2 3.31Å; R378-E427 IonicContact NH2-OE1 3.63Å; R378-E427 PolarHBondContact NH2-OE1 3.09Å; R378-E427 IonicContact NH2-OE2 2.69Å; R378-E427 PolarHBondContact NH2-OE2 2.96Å; R378-E427 PolarHBondContact O-N 2.82Å; R378-L429 HydrophobicContact CB-CD2 4Å; R378-L429 HydrophobicContact CG-CD2 3.82Å
379	L	98.6	Very high	98	Very high	50 Å²	50	38.9 Å²	38.9	26%	0.262	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119.9	170.2	177.7	68.5	0	0	0	109.6	V357 Y372 S381 L426	V357-L379 HydrophobicContact CG1-CD2 3.58Å; Y372-L379 HydrophobicContact CE1-CB 3.93Å; Y372-L379 HydrophobicContact CE2-CB 4.21Å; Y372-L379 VanDerWaalsContact OH-CB 3.23Å; Y372-L379 WeakPolarHBondContact OH-CB 3.25Å; L379-S381 WeakPolarHBondContact CD1-O 3.12Å; L379-L426 HydrophobicContact CB-CD2 4.37Å; L379-L426 HydrophobicContact CD1-CD2 3.9Å
380	L	98.1	Very high	98	Very high	72 Å²	72	39.2 Å²	39.2	38%	0.377	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-47.1	175.3	-177.7	63.6	0	0	0	111	R378 V425 K435 V472	R378-L380 PolarHBondContact O-N 3.23Å; L380-V425 HydrophobicContact CB-CB 4.5Å; L380-V425 HydrophobicContact CB-CG1 4.27Å; L380-V425 WeakPolarHBondContact CB-O 3.42Å; L380-V425 HydrophobicContact CD2-CG1 3.99Å; L380-V425 PolarHBondContact N-O 3.02Å; L380-K435 HydrophobicContact CD2-CD 4.09Å; L380-V472 HydrophobicContact CD2-CG1 4.47Å
381	S	98.4	Very high	97.9	Very high	30 Å²	30	39.2 Å²	39.2	21%	0.21	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	161	179.9	53.8	0	0	0	0	112.3	L379 H383 V425 V472	L379-S381 WeakPolarHBondContact CD1-O 3.12Å; S381-H383 WeakPolarHBondContact CB-NE2 3.41Å; S381-H383 PolarHBondContact OG-NE2 2.89Å; S381-V425 PolarHBondContact O-N 3.48Å; S381-V472 WeakPolarHBondContact OG-CG1 3.41Å
382	S	98.6	Very high	97.8	Very high	55 Å²	55	42.5 Å²	42.5	39%	0.385	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.6	176	-61.4	0	0	0	0	110.6	V423	S382-V423 VanDerWaalsContact CA-O 3.28Å; S382-V423 WeakPolarHBondContact CA-O 3.26Å
383	H	98.7	Very high	97.8	Very high	52 Å²	52	45 Å²	45	24%	0.241	24%	0.241	C	C	.	.			trans	-136.7	46.3	-172	-58.7	-85.4	0	0	0	111.4	S381 V423 H464 V468	S381-H383 WeakPolarHBondContact CB-NE2 3.41Å; S381-H383 PolarHBondContact OG-NE2 2.89Å; H383-V423 HydrophobicContact CB-CB 4.07Å; H383-V423 HydrophobicContact CB-CG1 4.29Å; H383-V423 PolarHBondContact N-O 2.9Å; H383-H464 PolarHBondContact O-NE2 3.27Å; H383-V468 HydrophobicContact CB-CG1 4.16Å; H383-V468 HydrophobicContact CB-CG2 3.67Å
384	D	98.7	Very high	97.7	Very high	39 Å²	39	46.9 Å²	46.9	21%	0.209	25%	0.253	C	S	.	.			trans	-71.5	139.8	-174.9	-56.4	-15.6	0	0	0	111.9	R359 L421 Q422 V423	R359-D384 WeakPolarHBondContact CB-OD2 3.23Å; R359-D384 HydrophobicContact CG-CB 4.11Å; D384-L421 VanDerWaalsContact CA-O 3.29Å; D384-L421 WeakPolarHBondContact CA-O 3.33Å; D384-Q422 VanDerWaalsContact OD1-CA 3.27Å; D384-Q422 WeakPolarHBondContact OD1-CA 3.32Å; D384-Q422 WeakPolarHBondContact OD1-CG 3.3Å; D384-V423 PolarHBondContact OD1-N 2.98Å
385	I	98.4	Very high	97.8	Very high	27 Å²	27	48.5 Å²	48.5	14%	0.138	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.2	178.3	57.9	165.5	0	0	0	112	L387 A390 S420 L421 V460 H464	I385-L387 HydrophobicContact CD1-CD2 3.86Å; I385-L387 HydrophobicContact CG1-CD2 4.23Å; I385-A390 HydrophobicContact CB-CB 4.36Å; I385-A390 HydrophobicContact CD1-CB 3.84Å; I385-S420 CarbonylContact O-C 2.92Å; I385-S420 VanDerWaalsContact O-CA 3.29Å; I385-S420 WeakPolarHBondContact O-CA 3.31Å; I385-L421 HydrophobicContact CD1-CD2 4.33Å; I385-L421 HydrophobicContact CG1-CB 3.99Å; I385-L421 HydrophobicContact CG1-CD2 4.27Å; I385-L421 PolarHBondContact N-O 3.05Å; I385-L421 PolarHBondContact O-N 2.9Å; I385-V460 HydrophobicContact CD1-CG1 4.31Å; I385-H464 HydrophobicContact CD1-CB 3.73Å; I385-H464 VanDerWaalsContact CD1-CG 3.48Å; I385-H464 VanDerWaalsContact CG2-CE1 3.43Å; I385-H464 WeakPolarHBondContact CG2-CE1 3.37Å
386	M	98.1	Very high	97.9	Very high	21 Å²	21	46.6 Å²	46.6	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.6	158.4	-174.7	174.3	68.8	0	0	108.1	E362 S388 E389 A390	E362-M386 HydrophobicContact CB-SD 4.13Å; E362-M386 HydrophobicContact CG-SD 4.32Å; M386-S388 VanDerWaalsContact C-N 3.29Å; M386-S388 WeakPolarHBondContact CG-OG 3.45Å; M386-S388 PolarHBondContact O-N 2.81Å; M386-E389 HydrophobicContact CB-CB 4.2Å; M386-E389 HydrophobicContact CE-CB 3.59Å; M386-E389 PolarHBondContact O-N 3Å; M386-E389 VanDerWaalsContact O-N 3.14Å; M386-A390 PolarHBondContact O-N 3.23Å
387	L	98.5	Very high	97.9	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-37.4	-169.4	-63.9	178.2	0	0	0	112.8	I385 L391 T419 L421 L443 Q457 V460 A461	I385-L387 HydrophobicContact CD1-CD2 3.86Å; I385-L387 HydrophobicContact CG1-CD2 4.23Å; L387-L391 WeakPolarHBondContact O-CB 3.33Å; L387-L391 PolarHBondContact O-N 2.84Å; L387-L391 VanDerWaalsContact O-N 3.08Å; L387-T419 HydrophobicContact CD1-CG2 3.64Å; L387-T419 HydrophobicContact CG-CG2 4.45Å; L387-T419 PolarHBondContact N-O 2.76Å; L387-L421 HydrophobicContact CD2-CB 3.9Å; L387-L443 HydrophobicContact CD1-CD2 4.34Å; L387-Q457 HydrophobicContact CD1-CB 3.65Å; L387-Q457 HydrophobicContact CD1-CG 3.94Å; L387-V460 HydrophobicContact CB-CG1 4.39Å; L387-V460 HydrophobicContact CD2-CB 4.3Å; L387-V460 HydrophobicContact CD2-CG1 3.86Å; L387-A461 HydrophobicContact CD2-CB 4.15Å
388	S	97.4	Very high	97.9	Very high	7 Å²	7	48.4 Å²	48.4	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-35.7	178.4	48.1	0	0	0	0	113.1	M386 L415 R417	M386-S388 VanDerWaalsContact C-N 3.29Å; M386-S388 WeakPolarHBondContact CG-OG 3.45Å; M386-S388 PolarHBondContact O-N 2.81Å; S388-L415 WeakPolarHBondContact O-CD2 3.49Å; S388-R417 WeakPolarHBondContact CB-O 3.28Å; S388-R417 PolarHBondContact OG-O 3.07Å
389	E	97.6	Very high	97.8	Very high	96 Å²	96	47.7 Å²	47.7	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-69.4	-53.4	174.8	178.7	179.7	178.3	0	0	110.1	M386 L391 T392 S393	M386-E389 HydrophobicContact CB-CB 4.2Å; M386-E389 HydrophobicContact CE-CB 3.59Å; M386-E389 PolarHBondContact O-N 3Å; M386-E389 VanDerWaalsContact O-N 3.14Å; E389-L391 VanDerWaalsContact C-N 3.27Å; E389-L391 PolarHBondContact O-N 3.23Å; E389-T392 PolarHBondContact O-N 3.39Å; E389-T392 PolarHBondContact O-OG1 2.85Å; E389-S393 PolarHBondContact O-N 2.86Å; E389-S393 PolarHBondContact O-OG 2.83Å
390	A	98.1	Very high	97.6	Very high	7 Å²	7	45.5 Å²	45.5	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-52.1	-46.9	-179.8	0	0	0	0	0	111.5	I385 M386 T392 S393 D394 H397 V460	I385-A390 HydrophobicContact CB-CB 4.36Å; I385-A390 HydrophobicContact CD1-CB 3.84Å; M386-A390 PolarHBondContact O-N 3.23Å; A390-T392 PolarHBondContact O-N 3.06Å; A390-S393 PolarHBondContact O-N 2.91Å; A390-D394 WeakPolarHBondContact O-CB 3.29Å; A390-D394 PolarHBondContact O-N 2.87Å; A390-H397 PolarHBondContact O-CD2 2.9Å; A390-V460 HydrophobicContact CB-CG1 4.11Å
391	L	98.2	Very high	97.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-50.7	-29.8	176.5	178.5	60	0	0	0	114.1	L387 E389 H397 L400 L401 L404 I414 V456 V460	L387-L391 WeakPolarHBondContact O-CB 3.33Å; L387-L391 PolarHBondContact O-N 2.84Å; L387-L391 VanDerWaalsContact O-N 3.08Å; E389-L391 VanDerWaalsContact C-N 3.27Å; E389-L391 PolarHBondContact O-N 3.23Å; L391-H397 HydrophobicContact CD1-CB 4.26Å; L391-L400 HydrophobicContact CD1-CB 4.44Å; L391-L400 HydrophobicContact CD1-CD2 4.2Å; L391-L400 HydrophobicContact CD1-CG 4.1Å; L391-L401 HydrophobicContact CD1-CB 4.22Å; L391-L401 HydrophobicContact CG-CD1 4.28Å; L391-L404 HydrophobicContact CD2-CD2 3.77Å; L391-I414 HydrophobicContact CD2-CG2 3.82Å; L391-V456 HydrophobicContact CD2-CG1 3.94Å; L391-V460 HydrophobicContact CB-CG2 3.99Å; L391-V460 HydrophobicContact CD1-CG2 3.87Å; L391-V460 HydrophobicContact CG-CG2 4.37Å
392	T	96.9	Very high	97.4	Very high	69 Å²	69	49.3 Å²	49.3	42%	0.423	27%	0.274	S	S	.	.	H	α-helix	trans	-106.8	-29.8	-176	58.3	0	0	0	0	115	E389 A390 L401 L415	E389-T392 PolarHBondContact O-N 3.39Å; E389-T392 PolarHBondContact O-OG1 2.85Å; A390-T392 PolarHBondContact O-N 3.06Å; T392-L401 HydrophobicContact CG2-CD1 4.25Å; T392-L415 HydrophobicContact CG2-CD1 4.15Å; T392-L415 HydrophobicContact CG2-CD2 3.34Å; T392-L415 HydrophobicContact CG2-CG 4.39Å
393	S	97	Very high	97.1	Very high	78 Å²	78	51.1 Å²	51.1	55%	0.545	28%	0.275	S	S	.	.	H	α-helix	trans	-99.2	-25	-173.3	61.5	0	0	0	0	113.3	E389 A390	E389-S393 PolarHBondContact O-N 2.86Å; E389-S393 PolarHBondContact O-OG 2.83Å; A390-S393 PolarHBondContact O-N 2.91Å
394	D	97.5	Very high	96.9	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	26%	0.264	S	S	.	.			trans	-97.1	121.1	-177.6	-163.9	-35.2	0	0	0	111.1	A390 L396 H397	A390-D394 WeakPolarHBondContact O-CB 3.29Å; A390-D394 PolarHBondContact O-N 2.87Å; D394-L396 PolarHBondContact O-N 2.55Å; D394-L396 WeakPolarHBondContact OD1-CB 3.23Å; D394-L396 PolarHBondContact OD1-N 3.09Å; D394-H397 PolarHBondContact O-N 2.79Å; D394-H397 VanDerWaalsContact O-N 3.11Å
395	P	97.6	Very high	96.5	Very high	102 Å²	102	49.5 Å²	49.5	66%	0.662	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-54.8	-23.3	175	-25.5	35	0	0	0	114.5	H397 S398	P395-H397 PolarHBondContact O-N 3.04Å; P395-H397 VanDerWaalsContact O-N 3.14Å; P395-S398 VanDerWaalsContact O-CB 3.3Å; P395-S398 WeakPolarHBondContact O-CB 3.42Å; P395-S398 PolarHBondContact O-N 3.24Å; P395-S398 VanDerWaalsContact O-N 3.11Å; P395-S398 PolarHBondContact O-OG 2.92Å
396	L	97.4	Very high	96.1	Very high	53 Å²	53	52.9 Å²	52.9	28%	0.277	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-52.8	-32.2	175.4	-178.2	63.4	0	0	0	112.5	D394 Q463 Q467	D394-L396 PolarHBondContact O-N 2.55Å; D394-L396 WeakPolarHBondContact OD1-CB 3.23Å; D394-L396 PolarHBondContact OD1-N 3.09Å; L396-Q463 HydrophobicContact CD2-CB 4.42Å; L396-Q463 HydrophobicContact CG-CB 4.38Å; L396-Q467 HydrophobicContact CD1-CB 4.49Å; L396-Q467 HydrophobicContact CD2-CB 3.85Å; L396-Q467 HydrophobicContact CD2-CG 4.26Å
397	H	97.9	Very high	95.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-101.9	9.9	-175.7	-54.6	-57.8	0	0	0	113.8	A390 L391 D394 P395 E399 L400 L401 V460 Q463	A390-H397 PolarHBondContact O-CD2 2.9Å; L391-H397 HydrophobicContact CD1-CB 4.26Å; D394-H397 PolarHBondContact O-N 2.79Å; D394-H397 VanDerWaalsContact O-N 3.11Å; P395-H397 PolarHBondContact O-N 3.04Å; P395-H397 VanDerWaalsContact O-N 3.14Å; H397-E399 PolarHBondContact O-N 3.28Å; H397-L400 PolarHBondContact O-N 2.77Å; H397-L400 VanDerWaalsContact O-N 3.16Å; H397-L401 WeakPolarHBondContact O-CB 3.29Å; H397-L401 PolarHBondContact O-N 2.96Å; H397-V460 PolarHBondContact CE1-O 2.98Å; H397-V460 VanDerWaalsContact CE1-O 3.24Å; H397-Q463 PolarHBondContact ND1-OE1 3.26Å
398	S	96.6	Very high	95.6	Very high	62 Å²	62	56.2 Å²	56.2	43%	0.434	33%	0.329	S	S	.	.	H	α-helix	trans	-54.6	-45.6	-176.5	50.2	0	0	0	0	113.7	P395 L400 L401 E402	P395-S398 VanDerWaalsContact O-CB 3.3Å; P395-S398 WeakPolarHBondContact O-CB 3.42Å; P395-S398 PolarHBondContact O-N 3.24Å; P395-S398 VanDerWaalsContact O-N 3.11Å; P395-S398 PolarHBondContact O-OG 2.92Å; S398-L400 PolarHBondContact O-N 2.81Å; S398-L401 PolarHBondContact O-N 3.13Å; S398-E402 WeakPolarHBondContact O-CB 3.07Å; S398-E402 WeakPolarHBondContact O-CG 3.16Å; S398-E402 PolarHBondContact O-N 2.95Å
399	E	95.1	Very high	95.4	Very high	112 Å²	112	59.7 Å²	59.7	52%	0.523	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-41.9	178.9	-170.5	-167.2	152.8	0	0	112.1	H397 E402 K403	H397-E399 PolarHBondContact O-N 3.28Å; E399-E402 PolarHBondContact O-N 3.06Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 3.48Å; E399-K403 VanDerWaalsContact O-N 3.13Å; E399-K403 VanDerWaalsContact OE1-CE 3.3Å; E399-K403 WeakPolarHBondContact OE1-CE 3.25Å; E399-K403 IonicContact OE1-NZ 2.67Å; E399-K403 PolarHBondContact OE1-NZ 3.38Å
400	L	95.6	Very high	95.3	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-40.8	178.3	-179.1	57.7	0	0	0	110.8	L391 H397 S398 K403 L404 V456 V460 M519 L521	L391-L400 HydrophobicContact CD1-CB 4.44Å; L391-L400 HydrophobicContact CD1-CD2 4.2Å; L391-L400 HydrophobicContact CD1-CG 4.1Å; H397-L400 PolarHBondContact O-N 2.77Å; H397-L400 VanDerWaalsContact O-N 3.16Å; S398-L400 PolarHBondContact O-N 2.81Å; L400-K403 PolarHBondContact O-N 3.07Å; L400-L404 WeakPolarHBondContact O-CB 3.12Å; L400-L404 PolarHBondContact O-N 3.43Å; L400-V456 HydrophobicContact CD2-CG1 4.16Å; L400-V456 HydrophobicContact CG-CG1 4.42Å; L400-V460 HydrophobicContact CD2-CG2 3.78Å; L400-M519 HydrophobicContact CD1-SD 4.1Å; L400-L521 HydrophobicContact CD1-CD1 4.15Å
401	L	96.4	Very high	95.1	Very high	34 Å²	34	57.2 Å²	57.2	18%	0.178	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-39.7	175.7	-179	64.1	0	0	0	112.2	L391 T392 H397 S398 L404 S405	L391-L401 HydrophobicContact CD1-CB 4.22Å; L391-L401 HydrophobicContact CG-CD1 4.28Å; T392-L401 HydrophobicContact CG2-CD1 4.25Å; H397-L401 WeakPolarHBondContact O-CB 3.29Å; H397-L401 PolarHBondContact O-N 2.96Å; S398-L401 PolarHBondContact O-N 3.13Å; L401-L404 PolarHBondContact O-N 3.26Å; L401-S405 WeakPolarHBondContact O-CB 3.31Å; L401-S405 PolarHBondContact O-N 3.18Å; L401-S405 PolarHBondContact O-OG 3.45Å
402	E	94.8	Very high	95	Very high	148 Å²	148	60.9 Å²	60.9	69%	0.692	35%	0.353	S	S	*	.	H	α-helix	trans	-62.6	-48.8	176	-78.5	-179.7	-177.8	0	0	111.2	S398 E399 L404 S405	S398-E402 WeakPolarHBondContact O-CB 3.07Å; S398-E402 WeakPolarHBondContact O-CG 3.16Å; S398-E402 PolarHBondContact O-N 2.95Å; E399-E402 PolarHBondContact O-N 3.06Å; E402-L404 VanDerWaalsContact C-N 3.3Å; E402-L404 PolarHBondContact O-N 2.99Å; E402-S405 PolarHBondContact O-N 2.88Å
403	K	92.7	Very high	94.9	Very high	92 Å²	92	58.7 Å²	58.7	40%	0.4	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-42.9	175.1	-71.2	174.1	-172.7	167.6	0	111.9	E399 L400 S405	E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 3.48Å; E399-K403 VanDerWaalsContact O-N 3.13Å; E399-K403 VanDerWaalsContact OE1-CE 3.3Å; E399-K403 WeakPolarHBondContact OE1-CE 3.25Å; E399-K403 IonicContact OE1-NZ 2.67Å; E399-K403 PolarHBondContact OE1-NZ 3.38Å; L400-K403 PolarHBondContact O-N 3.07Å; K403-S405 VanDerWaalsContact C-N 3.34Å
404	L	93.6	Very high	94.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.9	-30.4	179.2	-178.7	63.2	0	0	0	112.7	L391 L400 L401 E402 A406 N407 L410 K411 I414 V456 M519	L391-L404 HydrophobicContact CD2-CD2 3.77Å; L400-L404 WeakPolarHBondContact O-CB 3.12Å; L400-L404 PolarHBondContact O-N 3.43Å; L401-L404 PolarHBondContact O-N 3.26Å; E402-L404 VanDerWaalsContact C-N 3.3Å; E402-L404 PolarHBondContact O-N 2.99Å; L404-A406 PolarHBondContact O-N 3.4Å; L404-A406 VanDerWaalsContact O-N 3.08Å; L404-N407 CarbonylContact O-C 3.53Å; L404-N407 PolarHBondContact O-N 3.25Å; L404-N407 VanDerWaalsContact O-O 3.09Å; L404-L410 HydrophobicContact CD1-CB 4.24Å; L404-L410 HydrophobicContact CD1-CD2 3.76Å; L404-L410 HydrophobicContact CD1-CG 3.78Å; L404-K411 HydrophobicContact CD1-CB 4.49Å; L404-K411 HydrophobicContact CD2-CB 4.16Å; L404-K411 HydrophobicContact CD2-CG 4.16Å; L404-K411 HydrophobicContact CG-CB 3.97Å; L404-K411 HydrophobicContact CG-CG 4.32Å; L404-I414 HydrophobicContact CD1-CD1 3.93Å; L404-I414 HydrophobicContact CD2-CD1 3.79Å; L404-V456 HydrophobicContact CD2-CG1 4.31Å; L404-M519 HydrophobicContact CB-CE 4.47Å; L404-M519 HydrophobicContact CD1-CE 4.34Å
405	S	91.8	Very high	94.6	Very high	58 Å²	58	54.9 Å²	54.9	41%	0.406	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11	-177.2	-65.4	0	0	0	0	113.6	L401 E402 K403 N407 K411	L401-S405 WeakPolarHBondContact O-CB 3.31Å; L401-S405 PolarHBondContact O-N 3.18Å; L401-S405 PolarHBondContact O-OG 3.45Å; E402-S405 PolarHBondContact O-N 2.88Å; K403-S405 VanDerWaalsContact C-N 3.34Å; S405-N407 PolarHBondContact O-N 3.22Å; S405-K411 PolarHBondContact OG-NZ 2.92Å
406	A	89.5	Confident	94.5	Very high	98 Å²	98	56.8 Å²	56.8	81%	0.81	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.7	167.9	0	0	0	0	0	113.6	L404	L404-A406 PolarHBondContact O-N 3.4Å; L404-A406 VanDerWaalsContact O-N 3.08Å
407	N	92.3	Very high	94.4	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.112	31%	0.305	C	S	.	.			trans	-125.8	98.4	174.2	-173.6	-40.8	0	0	0	110.1	L404 S405 D409 L410 K411 E514 S516	L404-N407 CarbonylContact O-C 3.53Å; L404-N407 PolarHBondContact O-N 3.25Å; L404-N407 VanDerWaalsContact O-O 3.09Å; S405-N407 PolarHBondContact O-N 3.22Å; N407-D409 PolarHBondContact O-N 2.9Å; N407-D409 PolarHBondContact OD1-N 3.37Å; N407-D409 VanDerWaalsContact OD1-N 3.14Å; N407-L410 HydrophobicContact CB-CB 4.32Å; N407-L410 WeakPolarHBondContact OD1-CB 3.44Å; N407-L410 PolarHBondContact OD1-N 3.33Å; N407-K411 WeakPolarHBondContact O-CB 3.38Å; N407-K411 PolarHBondContact O-N 2.92Å; N407-K411 VanDerWaalsContact O-N 3.16Å; N407-E514 PolarHBondContact ND2-O 3.22Å; N407-E514 PolarHBondContact OD1-O 3.49Å; N407-S516 PolarHBondContact ND2-O 2.78Å
408	S	93.3	Very high	94.3	Very high	72 Å²	72	57.5 Å²	57.5	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-34.6	-178.8	47.6	0	0	0	0	113.5	K411 D412	S408-K411 PolarHBondContact O-N 2.86Å; S408-D412 WeakPolarHBondContact O-CB 3.25Å; S408-D412 PolarHBondContact O-N 3.37Å
409	D	94.5	Very high	94.3	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	29%	0.291	S	S	.	.	H	α-helix	trans	-70.8	-45.9	-175.6	-62.4	-53.8	0	0	0	111.4	N407 K411 D412 R413 E515	N407-D409 PolarHBondContact O-N 2.9Å; N407-D409 PolarHBondContact OD1-N 3.37Å; N407-D409 VanDerWaalsContact OD1-N 3.14Å; D409-K411 VanDerWaalsContact C-N 3.34Å; D409-K411 PolarHBondContact O-N 2.82Å; D409-D412 PolarHBondContact O-N 2.91Å; D409-R413 WeakPolarHBondContact O-CB 3.34Å; D409-R413 PolarHBondContact O-N 2.91Å; D409-E515 HydrophobicContact CB-CG 4.16Å
410	L	93.8	Very high	94.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-43	173.5	179.4	56.2	0	0	0	111.1	L404 N407 R413 I414 N452 V453 E515 C517	L404-L410 HydrophobicContact CD1-CB 4.24Å; L404-L410 HydrophobicContact CD1-CD2 3.76Å; L404-L410 HydrophobicContact CD1-CG 3.78Å; N407-L410 HydrophobicContact CB-CB 4.32Å; N407-L410 WeakPolarHBondContact OD1-CB 3.44Å; N407-L410 PolarHBondContact OD1-N 3.33Å; L410-R413 WeakPolarHBondContact O-CB 3.46Å; L410-R413 PolarHBondContact O-N 3.5Å; L410-I414 HydrophobicContact CD1-CD1 3.9Å; L410-I414 HydrophobicContact CD1-CG1 4.22Å; L410-I414 HydrophobicContact CG-CD1 3.81Å; L410-I414 WeakPolarHBondContact O-CD1 3.27Å; L410-I414 WeakPolarHBondContact O-CG1 3.22Å; L410-I414 PolarHBondContact O-N 3.43Å; L410-N452 HydrophobicContact CD1-CB 4.18Å; L410-N452 VanDerWaalsContact CD1-ND2 3.35Å; L410-N452 WeakPolarHBondContact CD1-ND2 3.45Å; L410-N452 HydrophobicContact CD2-CB 4.15Å; L410-V453 HydrophobicContact CD1-CG2 3.94Å; L410-E515 HydrophobicContact CB-CB 4.36Å; L410-C517 HydrophobicContact CD2-CB 4.12Å; L410-C517 VanDerWaalsContact CD2-SG 3.55Å
411	K	95.6	Very high	94.6	Very high	51 Å²	51	49.5 Å²	49.5	22%	0.222	27%	0.265	C	S	.	.	H	α-helix	trans	-56.1	-53.5	175.5	-175.8	177	177.8	171.7	0	110.7	L404 S405 N407 S408 D409 R413 I414 L415	L404-K411 HydrophobicContact CD1-CB 4.49Å; L404-K411 HydrophobicContact CD2-CB 4.16Å; L404-K411 HydrophobicContact CD2-CG 4.16Å; L404-K411 HydrophobicContact CG-CB 3.97Å; L404-K411 HydrophobicContact CG-CG 4.32Å; S405-K411 PolarHBondContact OG-NZ 2.92Å; N407-K411 WeakPolarHBondContact O-CB 3.38Å; N407-K411 PolarHBondContact O-N 2.92Å; N407-K411 VanDerWaalsContact O-N 3.16Å; S408-K411 PolarHBondContact O-N 2.86Å; D409-K411 VanDerWaalsContact C-N 3.34Å; D409-K411 PolarHBondContact O-N 2.82Å; K411-R413 VanDerWaalsContact C-N 3.27Å; K411-R413 PolarHBondContact O-N 2.8Å; K411-I414 PolarHBondContact O-N 3.05Å; K411-I414 VanDerWaalsContact O-N 3.08Å; K411-L415 HydrophobicContact CG-CD1 4.02Å; K411-L415 HydrophobicContact CG-CG 4.32Å; K411-L415 VanDerWaalsContact O-CG 3.31Å; K411-L415 WeakPolarHBondContact O-CG 3.25Å; K411-L415 PolarHBondContact O-N 3.04Å
412	D	95.1	Very high	94.7	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-37.3	179.5	-80.5	-0.3	0	0	0	112.3	S408 D409 K416	S408-D412 WeakPolarHBondContact O-CB 3.25Å; S408-D412 PolarHBondContact O-N 3.37Å; D409-D412 PolarHBondContact O-N 2.91Å; D412-K416 WeakPolarHBondContact O-CD 3.08Å; D412-K416 WeakPolarHBondContact O-CG 3.43Å; D412-K416 PolarHBondContact O-N 3.16Å
413	R	94.3	Very high	94.9	Very high	23 Å²	23	40.9 Å²	40.9	9%	0.087	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-44.9	174.2	-174.2	175	-174.9	154.9	10.8	111.6	D409 L410 K411 K416 R417 Y444 E449 V453 S511 E515	D409-R413 WeakPolarHBondContact O-CB 3.34Å; D409-R413 PolarHBondContact O-N 2.91Å; L410-R413 WeakPolarHBondContact O-CB 3.46Å; L410-R413 PolarHBondContact O-N 3.5Å; K411-R413 VanDerWaalsContact C-N 3.27Å; K411-R413 PolarHBondContact O-N 2.8Å; R413-K416 PolarHBondContact O-N 2.84Å; R413-R417 VanDerWaalsContact CG-NH1 3.28Å; R413-R417 PolarHBondContact O-NH1 3.17Å; R413-Y444 PolarHBondContact NH2-OH 3.28Å; R413-E449 VanDerWaalsContact CZ-O 3.22Å; R413-E449 IonicContact NH1-OE2 3.96Å; R413-E449 PolarHBondContact NH2-O 2.81Å; R413-E449 IonicContact NH2-OE2 3.65Å; R413-V453 HydrophobicContact CG-CG2 4.08Å; R413-S511 VanDerWaalsContact NH1-CB 3.35Å; R413-S511 PolarHBondContact NH1-OG 3.37Å; R413-E515 WeakPolarHBondContact CD-OE1 3.21Å; R413-E515 WeakPolarHBondContact CD-OE2 3.31Å; R413-E515 IonicContact CZ-OE2 2.97Å; R413-E515 IonicContact NE-OE2 3.27Å; R413-E515 IonicContact NH1-OE1 3.84Å; R413-E515 PolarHBondContact NH1-OE1 3.5Å; R413-E515 IonicContact NH1-OE2 2.81Å; R413-E515 PolarHBondContact NH1-OE2 2.68Å
414	I	94.9	Very high	95.2	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-45	179	-68.3	159.7	0	0	0	110.8	L391 L404 L410 K411 K416 R417 V453 V456	L391-I414 HydrophobicContact CD2-CG2 3.82Å; L404-I414 HydrophobicContact CD1-CD1 3.93Å; L404-I414 HydrophobicContact CD2-CD1 3.79Å; L410-I414 HydrophobicContact CD1-CD1 3.9Å; L410-I414 HydrophobicContact CD1-CG1 4.22Å; L410-I414 HydrophobicContact CG-CD1 3.81Å; L410-I414 WeakPolarHBondContact O-CD1 3.27Å; L410-I414 WeakPolarHBondContact O-CG1 3.22Å; L410-I414 PolarHBondContact O-N 3.43Å; K411-I414 PolarHBondContact O-N 3.05Å; K411-I414 VanDerWaalsContact O-N 3.08Å; I414-K416 PolarHBondContact O-N 3.38Å; I414-R417 VanDerWaalsContact O-CB 3.29Å; I414-R417 WeakPolarHBondContact O-CB 3.42Å; I414-R417 WeakPolarHBondContact O-CG 2.91Å; I414-R417 PolarHBondContact O-N 2.93Å; I414-V453 HydrophobicContact CG1-CB 4.37Å; I414-V453 HydrophobicContact CG1-CG1 4.13Å; I414-V453 HydrophobicContact CG1-CG2 4.13Å; I414-V456 HydrophobicContact CD1-CB 3.77Å; I414-V456 HydrophobicContact CD1-CG1 3.9Å; I414-V456 HydrophobicContact CD1-CG2 3.76Å
415	L	95.2	Very high	95.5	Very high	59 Å²	59	36.5 Å²	36.5	31%	0.309	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-21.8	-178.8	-62.5	-175.9	0	0	0	113.5	S388 T392 K411 R417	S388-L415 WeakPolarHBondContact O-CD2 3.49Å; T392-L415 HydrophobicContact CG2-CD1 4.15Å; T392-L415 HydrophobicContact CG2-CD2 3.34Å; T392-L415 HydrophobicContact CG2-CG 4.39Å; K411-L415 HydrophobicContact CG-CD1 4.02Å; K411-L415 HydrophobicContact CG-CG 4.32Å; K411-L415 VanDerWaalsContact O-CG 3.31Å; K411-L415 WeakPolarHBondContact O-CG 3.25Å; K411-L415 PolarHBondContact O-N 3.04Å; L415-R417 VanDerWaalsContact C-N 3.28Å; L415-R417 PolarHBondContact O-N 2.85Å
416	K	94.5	Very high	95.8	Very high	143 Å²	143	33.7 Å²	33.7	62%	0.622	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.9	172.3	-69.2	165.6	-169.8	165.5	0	113.4	D412 R413 I414	D412-K416 WeakPolarHBondContact O-CD 3.08Å; D412-K416 WeakPolarHBondContact O-CG 3.43Å; D412-K416 PolarHBondContact O-N 3.16Å; R413-K416 PolarHBondContact O-N 2.84Å; I414-K416 PolarHBondContact O-N 3.38Å
417	R	95.1	Very high	96.2	Very high	55 Å²	55	29.8 Å²	29.8	21%	0.208	15%	0.15	C	C	.	.			trans	-90.2	146.3	176.4	-56.8	-57.2	82.4	101.6	-2.8	110.4	S388 R413 I414 L415 Y444 V453	S388-R417 WeakPolarHBondContact CB-O 3.28Å; S388-R417 PolarHBondContact OG-O 3.07Å; R413-R417 VanDerWaalsContact CG-NH1 3.28Å; R413-R417 PolarHBondContact O-NH1 3.17Å; I414-R417 VanDerWaalsContact O-CB 3.29Å; I414-R417 WeakPolarHBondContact O-CB 3.42Å; I414-R417 WeakPolarHBondContact O-CG 2.91Å; I414-R417 PolarHBondContact O-N 2.93Å; L415-R417 VanDerWaalsContact C-N 3.28Å; L415-R417 PolarHBondContact O-N 2.85Å; R417-Y444 VanDerWaalsContact CD-CD2 3.49Å; R417-Y444 HydrophobicContact CG-CD2 4.5Å; R417-V453 HydrophobicContact CG-CG1 4.2Å
418	S	95.6	Very high	96.3	Very high	13 Å²	13	28.9 Å²	28.9	9%	0.091	15%	0.145	C	C	.	.			trans	-112.5	22	174.4	56.1	0	0	0	0	113.1	E362 S420	E362-S418 WeakPolarHBondContact O-CB 3.14Å; E362-S418 PolarHBondContact O-OG 3.32Å; S418-S420 PolarHBondContact O-N 3.14Å; S418-S420 PolarHBondContact O-OG 3.45Å
419	T	97.4	Very high	96.4	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	14%	0.142	C	C	.	.			trans	-55	127.9	174.6	-60.8	0	0	0	0	109.9	L387 H442 L443 Q457	L387-T419 HydrophobicContact CD1-CG2 3.64Å; L387-T419 HydrophobicContact CG-CG2 4.45Å; L387-T419 PolarHBondContact N-O 2.76Å; T419-H442 WeakPolarHBondContact CG2-O 3.29Å; T419-L443 HydrophobicContact CG2-CD2 4.18Å; T419-Q457 VanDerWaalsContact CB-NE2 3.25Å; T419-Q457 PolarHBondContact OG1-NE2 3.44Å
420	S	98	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	152.2	179.4	-60.4	0	0	0	0	110.7	L368 I385 S418 T441	L368-S420 WeakPolarHBondContact CD1-O 3.4Å; I385-S420 CarbonylContact O-C 2.92Å; I385-S420 VanDerWaalsContact O-CA 3.29Å; I385-S420 WeakPolarHBondContact O-CA 3.31Å; S418-S420 PolarHBondContact O-N 3.14Å; S418-S420 PolarHBondContact O-OG 3.45Å; S420-T441 PolarHBondContact O-OG1 3.49Å
421	L	98.8	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.5	165.3	174.5	72.1	0	0	0	107.2	D384 I385 L387 V423 A439 A461 L465 F480	D384-L421 VanDerWaalsContact CA-O 3.29Å; D384-L421 WeakPolarHBondContact CA-O 3.33Å; I385-L421 HydrophobicContact CD1-CD2 4.33Å; I385-L421 HydrophobicContact CG1-CB 3.99Å; I385-L421 HydrophobicContact CG1-CD2 4.27Å; I385-L421 PolarHBondContact N-O 3.05Å; I385-L421 PolarHBondContact O-N 2.9Å; L387-L421 HydrophobicContact CD2-CB 3.9Å; L421-V423 HydrophobicContact CD2-CG2 3.79Å; L421-V423 HydrophobicContact CG-CG2 3.73Å; L421-A439 HydrophobicContact CD1-CB 4.3Å; L421-A461 HydrophobicContact CD1-CB 4.39Å; L421-A461 HydrophobicContact CD2-CB 3.89Å; L421-L465 HydrophobicContact CD2-CD1 4.47Å; L421-L465 HydrophobicContact CD2-CD2 4.3Å; L421-L465 HydrophobicContact CD2-CG 4.07Å; L421-F480 HydrophobicContact CD1-CE2 3.92Å; L421-F480 HydrophobicContact CD1-CZ 4.04Å
422	Q	98.9	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.4	172.4	178.9	177.9	51.3	0	0	108.8	V357 R359 L368 T370 D384 A439 N440	V357-Q422 PolarHBondContact O-NE2 2.91Å; V357-Q422 VanDerWaalsContact O-NE2 3.09Å; R359-Q422 HydrophobicContact CB-CB 4.26Å; R359-Q422 HydrophobicContact CB-CG 4.34Å; L368-Q422 HydrophobicContact CB-CB 4.06Å; L368-Q422 HydrophobicContact CD1-CB 3.94Å; L368-Q422 PolarHBondContact O-NE2 3.35Å; T370-Q422 PolarHBondContact OG1-OE1 3.05Å; T370-Q422 VanDerWaalsContact OG1-OE1 3.05Å; D384-Q422 VanDerWaalsContact OD1-CA 3.27Å; D384-Q422 WeakPolarHBondContact OD1-CA 3.32Å; D384-Q422 WeakPolarHBondContact OD1-CG 3.3Å; Q422-A439 CarbonylContact O-C 3.58Å; Q422-A439 WeakPolarHBondContact O-CA 3.18Å; Q422-N440 HydrophobicContact CB-CB 4.26Å; Q422-N440 PolarHBondContact N-O 2.96Å; Q422-N440 PolarHBondContact O-N 3.2Å; Q422-N440 PolarHBondContact OE1-ND2 3.04Å
423	V	98.9	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.3	-176.7	-172.5	0	0	0	0	109.4	S382 H383 D384 L421 V438 L465 V468	S382-V423 VanDerWaalsContact CA-O 3.28Å; S382-V423 WeakPolarHBondContact CA-O 3.26Å; H383-V423 HydrophobicContact CB-CB 4.07Å; H383-V423 HydrophobicContact CB-CG1 4.29Å; H383-V423 PolarHBondContact N-O 2.9Å; D384-V423 PolarHBondContact OD1-N 2.98Å; L421-V423 HydrophobicContact CD2-CG2 3.79Å; L421-V423 HydrophobicContact CG-CG2 3.73Å; V423-V438 WeakPolarHBondContact CA-O 3.3Å; V423-L465 HydrophobicContact CB-CD2 4.44Å; V423-L465 HydrophobicContact CG1-CD2 3.87Å; V423-L465 HydrophobicContact CG2-CD2 3.7Å; V423-V468 HydrophobicContact CG1-CG1 4.13Å
424	S	98.9	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119	178.6	-62	0	0	0	0	109.9	V438	S424-V438 PolarHBondContact N-O 2.87Å; S424-V438 PolarHBondContact O-N 2.93Å
425	V	98.8	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.9	170.3	-179.7	0	0	0	0	107.7	L380 S381 V468 V472 A473	L380-V425 HydrophobicContact CB-CB 4.5Å; L380-V425 HydrophobicContact CB-CG1 4.27Å; L380-V425 WeakPolarHBondContact CB-O 3.42Å; L380-V425 HydrophobicContact CD2-CG1 3.99Å; L380-V425 PolarHBondContact N-O 3.02Å; S381-V425 PolarHBondContact O-N 3.48Å; V425-V468 HydrophobicContact CG2-CG1 3.98Å; V425-V472 HydrophobicContact CG1-CG1 4.48Å; V425-V472 HydrophobicContact CG2-CG1 4.28Å; V425-A473 HydrophobicContact CG1-CB 3.7Å
426	L	98.6	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.7	-180	-53.2	-178.5	0	0	0	109.8	I330 Y372 F377 L379 K435 V436 V438	I330-L426 HydrophobicContact CD1-CD1 4.15Å; I330-L426 HydrophobicContact CG1-CD1 4.11Å; Y372-L426 HydrophobicContact CD1-CD2 3.87Å; Y372-L426 HydrophobicContact CD2-CD2 4.37Å; Y372-L426 HydrophobicContact CE1-CD2 4.35Å; Y372-L426 HydrophobicContact CG-CD1 4.27Å; Y372-L426 HydrophobicContact CG-CD2 3.9Å; F377-L426 HydrophobicContact CB-CB 4.23Å; F377-L426 HydrophobicContact CB-CD1 4.44Å; F377-L426 HydrophobicContact CD1-CB 3.89Å; F377-L426 HydrophobicContact CD2-CD1 4.46Å; F377-L426 HydrophobicContact CG-CB 4.18Å; F377-L426 HydrophobicContact CG-CD1 4.27Å; L379-L426 HydrophobicContact CB-CD2 4.37Å; L379-L426 HydrophobicContact CD1-CD2 3.9Å; L426-K435 CarbonylContact O-C 3.6Å; L426-K435 VanDerWaalsContact O-CA 3.23Å; L426-K435 WeakPolarHBondContact O-CA 3.39Å; L426-V436 HydrophobicContact CB-CG1 3.81Å; L426-V436 HydrophobicContact CD1-CG1 4.35Å; L426-V436 HydrophobicContact CG-CG1 4.43Å; L426-V436 PolarHBondContact N-O 3Å; L426-V436 PolarHBondContact O-N 3.21Å; L426-V438 HydrophobicContact CD1-CG2 3.74Å; L426-V438 HydrophobicContact CG-CG2 4.15Å
427	E	97.5	Very high	95.9	Very high	15 Å²	15	31.1 Å²	31.1	7%	0.07	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.5	174.1	-166	-162.5	80	0	0	109.7	F377 R378 P432 K435	F377-E427 WeakPolarHBondContact CA-O 3.48Å; R378-E427 HydrophobicContact CG-CB 4.08Å; R378-E427 IonicContact CZ-OE1 3.54Å; R378-E427 IonicContact CZ-OE2 3.76Å; R378-E427 PolarHBondContact N-O 2.92Å; R378-E427 IonicContact NE-OE1 3.83Å; R378-E427 PolarHBondContact NE-OE1 3.47Å; R378-E427 IonicContact NE-OE2 3.31Å; R378-E427 IonicContact NH2-OE1 3.63Å; R378-E427 PolarHBondContact NH2-OE1 3.09Å; R378-E427 IonicContact NH2-OE2 2.69Å; R378-E427 PolarHBondContact NH2-OE2 2.96Å; R378-E427 PolarHBondContact O-N 2.82Å; E427-P432 HydrophobicContact CG-CB 4.41Å; E427-P432 WeakPolarHBondContact CG-O 3.44Å; E427-K435 HydrophobicContact CG-CG 4.25Å
428	D	94.9	Very high	96.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.7	174.8	169.5	25.6	0	0	0	111	W276 F377 A430 N431 R434	W276-D428 HydrophobicContact CH2-CB 4.03Å; W276-D428 VanDerWaalsContact CH2-OD1 3.31Å; W276-D428 WeakPolarHBondContact CH2-OD1 3.29Å; W276-D428 WeakPolarHBondContact CH2-OD2 3.38Å; W276-D428 VanDerWaalsContact CZ2-CG 3.42Å; W276-D428 WeakPolarHBondContact CZ2-OD2 3.21Å; F377-D428 HydrophobicContact CE1-CB 4.39Å; D428-A430 VanDerWaalsContact C-N 3.32Å; D428-A430 PolarHBondContact O-N 3.1Å; D428-A430 WeakPolarHBondContact OD1-CB 3.31Å; D428-A430 PolarHBondContact OD1-N 3.09Å; D428-N431 CarbonylContact O-C 3.56Å; D428-N431 PolarHBondContact O-N 2.93Å; D428-N431 WeakPolarHBondContact OD2-CB 3.4Å; D428-N431 PolarHBondContact OD2-N 2.71Å; D428-N431 VanDerWaalsContact OD2-N 3.09Å; D428-R434 HydrophobicContact CB-CB 4.06Å; D428-R434 HydrophobicContact CB-CG 4.29Å; D428-R434 WeakPolarHBondContact CB-O 3.34Å; D428-R434 PolarHBondContact N-O 3.42Å
429	L	95.1	Very high	96.3	Very high	83 Å²	83	27.9 Å²	27.9	44%	0.435	15%	0.15	S	C	.	.	S	Bend	trans	-72.5	-24.6	178.7	-63.9	-177.4	0	0	0	113.3	R374 K376 R378	R374-L429 WeakPolarHBondContact O-CD1 3.26Å; K376-L429 PolarHBondContact O-N 3.28Å; R378-L429 HydrophobicContact CB-CD2 4Å; R378-L429 HydrophobicContact CG-CD2 3.82Å
430	A	91.8	Very high	96.3	Very high	73 Å²	73	27.4 Å²	27.4	60%	0.603	15%	0.147	S	C	*	.	S	Bend	trans	-79.6	-30.5	177.2	0	0	0	0	0	112	W276 D428	W276-A430 HydrophobicContact CZ2-CB 4.43Å; D428-A430 VanDerWaalsContact C-N 3.32Å; D428-A430 PolarHBondContact O-N 3.1Å; D428-A430 WeakPolarHBondContact OD1-CB 3.31Å; D428-A430 PolarHBondContact OD1-N 3.09Å
431	N	91.3	Very high	96.4	Very high	67 Å²	67	27.4 Å²	27.4	36%	0.358	15%	0.147	S	C	.	.			trans	-144.7	97.7	176	-178.1	0.5	0	0	0	110.9	D428 E433 R434	D428-N431 CarbonylContact O-C 3.56Å; D428-N431 PolarHBondContact O-N 2.93Å; D428-N431 WeakPolarHBondContact OD2-CB 3.4Å; D428-N431 PolarHBondContact OD2-N 2.71Å; D428-N431 VanDerWaalsContact OD2-N 3.09Å; N431-E433 PolarHBondContact O-N 2.91Å; N431-E433 WeakPolarHBondContact OD1-CB 3.12Å; N431-E433 PolarHBondContact OD1-N 2.86Å; N431-R434 HydrophobicContact CB-CB 4.23Å; N431-R434 WeakPolarHBondContact O-CA 3.38Å; N431-R434 WeakPolarHBondContact O-CB 3.23Å; N431-R434 PolarHBondContact O-N 3.4Å
432	P	89.8	Confident	96.4	Very high	65 Å²	65	28.1 Å²	28.1	42%	0.422	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.5	-178.4	-28	36.7	0	0	0	115.8	E427 R434 K435	E427-P432 HydrophobicContact CG-CB 4.41Å; E427-P432 WeakPolarHBondContact CG-O 3.44Å; P432-R434 VanDerWaalsContact C-N 3.27Å; P432-K435 PolarHBondContact O-NZ 3.16Å; P432-K435 VanDerWaalsContact O-NZ 3.13Å
433	E	90.2	Very high	96.3	Very high	158 Å²	158	28.2 Å²	28.2	74%	0.738	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-26	172.6	-63.1	-57.7	150.9	0	0	111.8	N431	N431-E433 PolarHBondContact O-N 2.91Å; N431-E433 WeakPolarHBondContact OD1-CB 3.12Å; N431-E433 PolarHBondContact OD1-N 2.86Å
434	R	92	Very high	96.2	Very high	69 Å²	69	29.7 Å²	29.7	26%	0.26	16%	0.156	S	C	.	.			trans	-84.4	120	177.7	-175	-178.4	-65.8	-173	-1.6	110.3	D428 N431 P432 W596	D428-R434 HydrophobicContact CB-CB 4.06Å; D428-R434 HydrophobicContact CB-CG 4.29Å; D428-R434 WeakPolarHBondContact CB-O 3.34Å; D428-R434 PolarHBondContact N-O 3.42Å; N431-R434 HydrophobicContact CB-CB 4.23Å; N431-R434 WeakPolarHBondContact O-CA 3.38Å; N431-R434 WeakPolarHBondContact O-CB 3.23Å; N431-R434 PolarHBondContact O-N 3.4Å; P432-R434 VanDerWaalsContact C-N 3.27Å; R434-W596 HydrophobicContact CG-CD2 4.22Å; R434-W596 HydrophobicContact CG-CE3 3.99Å; R434-W596 HydrophobicContact CG-CH2 3.69Å; R434-W596 HydrophobicContact CG-CZ2 3.95Å; R434-W596 HydrophobicContact CG-CZ3 3.66Å
435	K	96.4	Very high	95.9	Very high	43 Å²	43	37.6 Å²	37.6	19%	0.187	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.1	178.6	-60.3	172.4	-172.6	65.1	0	109.5	L380 L426 E427 P432 A473 A476 P477 W596	L380-K435 HydrophobicContact CD2-CD 4.09Å; L426-K435 CarbonylContact O-C 3.6Å; L426-K435 VanDerWaalsContact O-CA 3.23Å; L426-K435 WeakPolarHBondContact O-CA 3.39Å; E427-K435 HydrophobicContact CG-CG 4.25Å; P432-K435 PolarHBondContact O-NZ 3.16Å; P432-K435 VanDerWaalsContact O-NZ 3.13Å; K435-A473 HydrophobicContact CB-CB 4.03Å; K435-A473 HydrophobicContact CD-CB 3.68Å; K435-A476 HydrophobicContact CB-CB 4.06Å; K435-A476 VanDerWaalsContact O-CB 3.26Å; K435-A476 WeakPolarHBondContact O-CB 3.37Å; K435-P477 WeakPolarHBondContact O-CD 3.32Å; K435-W596 VanDerWaalsContact O-CH2 3.27Å; K435-W596 WeakPolarHBondContact O-CH2 3.37Å
436	V	97.7	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.8	171.8	57.7	0	0	0	0	109.5	I330 F377 L426 V438 P477 V479 M558 W596	I330-V436 HydrophobicContact CD1-CG1 4.44Å; F377-V436 HydrophobicContact CE1-CG1 4Å; F377-V436 HydrophobicContact CZ-CG1 4.32Å; L426-V436 HydrophobicContact CB-CG1 3.81Å; L426-V436 HydrophobicContact CD1-CG1 4.35Å; L426-V436 HydrophobicContact CG-CG1 4.43Å; L426-V436 PolarHBondContact N-O 3Å; L426-V436 PolarHBondContact O-N 3.21Å; V436-V438 HydrophobicContact CG1-CG2 4.12Å; V436-V438 HydrophobicContact CG2-CG2 4.15Å; V436-P477 HydrophobicContact CG2-CG 4.46Å; V436-V479 HydrophobicContact CG2-CB 4.38Å; V436-V479 HydrophobicContact CG2-CG2 3.78Å; V436-M558 HydrophobicContact CB-CE 4.4Å; V436-M558 HydrophobicContact CG2-CE 3.73Å; V436-W596 HydrophobicContact CB-CH2 3.78Å; V436-W596 HydrophobicContact CB-CZ2 3.93Å; V436-W596 HydrophobicContact CG1-CZ2 4.47Å
437	C	98.6	Very high	94.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.5	170	-174.1	0	0	0	0	108.4	I469 P477 L478 V479	C437-I469 HydrophobicContact CB-CD1 3.75Å; C437-I469 HydrophobicContact CB-CG1 3.6Å; C437-P477 PolarHBondContact N-O 3.18Å; C437-L478 HydrophobicContact CB-CD1 4.5Å; C437-L478 WeakPolarHBondContact O-CA 3.27Å; C437-V479 PolarHBondContact O-N 2.77Å
438	V	98.9	Very high	93	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.8	178.1	-176.4	0	0	0	0	108.9	I330 C332 T370 V423 S424 L426 V436 V479	I330-V438 HydrophobicContact CD1-CG2 3.86Å; I330-V438 HydrophobicContact CG2-CG1 3.78Å; I330-V438 HydrophobicContact CG2-CG2 4.26Å; C332-V438 VanDerWaalsContact SG-CG1 3.56Å; T370-V438 HydrophobicContact CG2-CG1 4.06Å; V423-V438 WeakPolarHBondContact CA-O 3.3Å; S424-V438 PolarHBondContact N-O 2.87Å; S424-V438 PolarHBondContact O-N 2.93Å; L426-V438 HydrophobicContact CD1-CG2 3.74Å; L426-V438 HydrophobicContact CG-CG2 4.15Å; V436-V438 HydrophobicContact CG1-CG2 4.12Å; V436-V438 HydrophobicContact CG2-CG2 4.15Å; V438-V479 WeakPolarHBondContact CA-O 3.42Å
439	A	98.9	Very high	92.4	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.8	176.8	0	0	0	0	0	110.5	L421 Q422 L465 L478 V479 F480 C481	L421-A439 HydrophobicContact CD1-CB 4.3Å; Q422-A439 CarbonylContact O-C 3.58Å; Q422-A439 WeakPolarHBondContact O-CA 3.18Å; A439-L465 HydrophobicContact CB-CD1 3.88Å; A439-L465 HydrophobicContact CB-CD2 3.59Å; A439-L465 HydrophobicContact CB-CG 4.39Å; A439-L478 HydrophobicContact CB-CD1 3.98Å; A439-V479 PolarHBondContact N-O 3.31Å; A439-F480 HydrophobicContact CB-CB 4.19Å; A439-F480 HydrophobicContact CB-CD2 3.5Å; A439-F480 HydrophobicContact CB-CE2 4.01Å; A439-F480 HydrophobicContact CB-CG 3.91Å; A439-C481 PolarHBondContact O-N 3.27Å
440	N	98.9	Very high	92.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.1	176.8	-177.8	15	0	0	0	109.5	C332 L333 Q334 L368 A369 Q422 C481	C332-N440 HydrophobicContact CB-CB 4.01Å; L333-N440 PolarHBondContact N-ND2 3.2Å; L333-N440 PolarHBondContact O-ND2 3Å; Q334-N440 PolarHBondContact NE2-OD1 3.09Å; L368-N440 WeakPolarHBondContact CD1-O 3.41Å; A369-N440 PolarHBondContact O-ND2 2.84Å; A369-N440 VanDerWaalsContact O-ND2 3.14Å; Q422-N440 HydrophobicContact CB-CB 4.26Å; Q422-N440 PolarHBondContact N-O 2.96Å; Q422-N440 PolarHBondContact O-N 3.2Å; Q422-N440 PolarHBondContact OE1-ND2 3.04Å; N440-C481 VanDerWaalsContact CA-O 3.29Å; N440-C481 WeakPolarHBondContact CA-O 3.41Å
441	T	98.9	Very high	92.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	166.1	174.5	-161.3	0	0	0	0	112.5	Q334 S420 L443 F480 C481 G482 D483 L484	Q334-T441 WeakPolarHBondContact CG-O 3.4Å; S420-T441 PolarHBondContact O-OG1 3.49Å; T441-L443 HydrophobicContact CG2-CD2 3.86Å; T441-L443 HydrophobicContact CG2-CG 4.04Å; T441-F480 HydrophobicContact CG2-CE2 3.69Å; T441-F480 HydrophobicContact CG2-CZ 3.93Å; T441-C481 PolarHBondContact N-O 3.32Å; T441-G482 WeakPolarHBondContact O-CA 3.27Å; T441-D483 PolarHBondContact O-N 2.89Å; T441-L484 HydrophobicContact CG2-CD2 3.89Å
442	H	98.8	Very high	92.4	Very high	15 Å²	15	44.4 Å²	44.4	7%	0.069	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	98.5	168.5	180	-179.8	0	0	0	107.2	Q334 E335 K361 L368 T419 D483 N485	Q334-H442 HydrophobicContact CB-CB 4.01Å; Q334-H442 HydrophobicContact CG-CB 3.94Å; E335-H442 IonicContact OE1-CE1 3.03Å; E335-H442 PolarHBondContact OE1-CE1 2.97Å; E335-H442 VanDerWaalsContact OE1-CE1 3.26Å; K361-H442 PolarHBondContact NZ-ND1 2.78Å; L368-H442 HydrophobicContact CD2-CB 3.88Å; T419-H442 WeakPolarHBondContact CG2-O 3.29Å; H442-D483 CarbonylContact C-O 3.5Å; H442-D483 VanDerWaalsContact CA-O 3.27Å; H442-D483 WeakPolarHBondContact CA-O 3.43Å; H442-D483 IonicContact CD2-OD2 2.65Å; H442-D483 IonicContact NE2-OD2 2.7Å; H442-N485 PolarHBondContact CD2-ND2 2.99Å; H442-N485 VanDerWaalsContact CD2-ND2 3.28Å; H442-N485 PolarHBondContact NE2-ND2 2.89Å
443	L	98.4	Very high	92.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	19%	0.186	C	C	.	.			trans	-71.8	168.3	-173.9	-63.4	-171.2	0	0	0	112.6	L387 T419 T441 W445 R454 Q457 M458 D483 L484 N485 V492	L387-L443 HydrophobicContact CD1-CD2 4.34Å; T419-L443 HydrophobicContact CG2-CD2 4.18Å; T441-L443 HydrophobicContact CG2-CD2 3.86Å; T441-L443 HydrophobicContact CG2-CG 4.04Å; L443-W445 PolarHBondContact O-N 2.88Å; L443-R454 HydrophobicContact CB-CG 4.11Å; L443-R454 HydrophobicContact CD1-CB 4.2Å; L443-R454 HydrophobicContact CD1-CG 4.41Å; L443-Q457 HydrophobicContact CD2-CB 4.01Å; L443-M458 HydrophobicContact CD1-CE 3.93Å; L443-D483 PolarHBondContact N-O 3.4Å; L443-L484 HydrophobicContact CD1-CB 4.21Å; L443-L484 HydrophobicContact CD1-CD2 4.05Å; L443-L484 HydrophobicContact CG-CD2 4.17Å; L443-N485 PolarHBondContact O-ND2 2.81Å; L443-V492 HydrophobicContact CD1-CG1 4.14Å
444	Y	96.9	Very high	93.1	Very high	31 Å²	31	34.4 Å²	34.4	12%	0.122	15%	0.153	C	C	.	.			trans	-57.3	122.5	-178	-179.6	-124.8	0	0	0	113.5	R413 R417 H446 V453 R454 Q457	R413-Y444 PolarHBondContact NH2-OH 3.28Å; R417-Y444 VanDerWaalsContact CD-CD2 3.49Å; R417-Y444 HydrophobicContact CG-CD2 4.5Å; Y444-H446 HydrophobicContact CD1-CB 4.1Å; Y444-H446 HydrophobicContact CE1-CB 3.39Å; Y444-H446 HydrophobicContact CE2-CB 4.22Å; Y444-H446 VanDerWaalsContact CZ-CB 3.45Å; Y444-H446 PolarHBondContact O-N 2.92Å; Y444-V453 HydrophobicContact CD1-CB 3.99Å; Y444-V453 HydrophobicContact CD1-CG1 3.76Å; Y444-V453 HydrophobicContact CD1-CG2 4.39Å; Y444-V453 HydrophobicContact CG-CG1 4.08Å; Y444-R454 VanDerWaalsContact O-CD 3.32Å; Y444-R454 WeakPolarHBondContact O-CD 3.43Å; Y444-R454 PolarHBondContact O-NH1 2.83Å; Y444-Q457 VanDerWaalsContact N-OE1 3.11Å
445	W	91.4	Very high	93.4	Very high	167 Å²	167	31.1 Å²	31.1	63%	0.633	14%	0.141	S	C	*	.			trans	-71.6	-20.5	-167.8	70.3	-94.5	0	0	0	116.4	L443 P447 N485	L443-W445 PolarHBondContact O-N 2.88Å; W445-P447 VanDerWaalsContact O-CD 3.29Å; W445-P447 WeakPolarHBondContact O-CD 3.47Å; W445-N485 WeakPolarHBondContact CA-ND2 3.38Å
446	H	87.8	Confident	93.5	Very high	41 Å²	41	29.1 Å²	29.1	19%	0.19	13%	0.132	C	C	.	.			trans	-62.9	116.8	-166.4	-167	-88.4	0	0	0	111.1	Y444 K448 E449 R454	Y444-H446 HydrophobicContact CD1-CB 4.1Å; Y444-H446 HydrophobicContact CE1-CB 3.39Å; Y444-H446 HydrophobicContact CE2-CB 4.22Å; Y444-H446 VanDerWaalsContact CZ-CB 3.45Å; Y444-H446 PolarHBondContact O-N 2.92Å; H446-K448 PolarHBondContact O-N 2.7Å; H446-E449 VanDerWaalsContact CE1-CB 3.5Å; H446-E449 WeakPolarHBondContact CE1-CB 3.28Å; H446-E449 PolarHBondContact CE1-N 2.8Å; H446-E449 IonicContact CE1-OE2 3.76Å; H446-E449 WeakPolarHBondContact ND1-CA 3.5Å; H446-E449 WeakPolarHBondContact ND1-CB 3.33Å; H446-E449 PolarHBondContact ND1-N 2.65Å; H446-E449 PolarHBondContact ND1-O 2.91Å; H446-R454 PolarHBondContact O-NH1 2.92Å
447	P	73.9	Confident	93.5	Very high	82 Å²	82	29.4 Å²	29.4	53%	0.532	13%	0.133	S	C	.	.	S	Bend	trans	-73.8	-35	-160.8	23.9	-33.4	0	0	0	113.2	W445	W445-P447 VanDerWaalsContact O-CD 3.29Å; W445-P447 WeakPolarHBondContact O-CD 3.47Å
448	K	72.9	Confident	93.5	Very high	170 Å²	170	29.4 Å²	29.4	74%	0.739	13%	0.133	S	C	*	.	S	Bend	trans	-97.3	-52.6	-176.6	-64.8	-175.1	179.1	-179.2	0	112.3	H446 G450 S510	H446-K448 PolarHBondContact O-N 2.7Å; K448-G450 PolarHBondContact O-N 2.83Å; K448-S510 WeakPolarHBondContact O-CB 3.27Å; K448-S510 VanDerWaalsContact O-O 3.06Å
449	E	80.8	Confident	93.5	Very high	89 Å²	89	29.6 Å²	29.6	42%	0.416	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	68.2	-178.6	-51.4	164.9	-158.3	0	0	110.6	R413 H446 S510 S511	R413-E449 VanDerWaalsContact CZ-O 3.22Å; R413-E449 IonicContact NH1-OE2 3.96Å; R413-E449 PolarHBondContact NH2-O 2.81Å; R413-E449 IonicContact NH2-OE2 3.65Å; H446-E449 VanDerWaalsContact CE1-CB 3.5Å; H446-E449 WeakPolarHBondContact CE1-CB 3.28Å; H446-E449 PolarHBondContact CE1-N 2.8Å; H446-E449 IonicContact CE1-OE2 3.76Å; H446-E449 WeakPolarHBondContact ND1-CA 3.5Å; H446-E449 WeakPolarHBondContact ND1-CB 3.33Å; H446-E449 PolarHBondContact ND1-N 2.65Å; H446-E449 PolarHBondContact ND1-O 2.91Å; E449-S510 WeakPolarHBondContact CA-O 3.3Å; E449-S511 VanDerWaalsContact C-OG 3.24Å; E449-S511 WeakPolarHBondContact CA-OG 3.44Å
450	G	89.9	Confident	93.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-158.3	-7.4	-176.8	0	0	0	0	0	116.5	K448 N452 V453 R454 S510	K448-G450 PolarHBondContact O-N 2.83Å; G450-N452 PolarHBondContact O-N 2.86Å; G450-V453 PolarHBondContact O-N 2.89Å; G450-R454 WeakPolarHBondContact O-CG 3.47Å; G450-R454 PolarHBondContact O-N 3.08Å; G450-S510 PolarHBondContact N-OG 3.13Å
451	G	94.8	Very high	93.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-49.6	-179.1	0	0	0	0	0	112.1	V453 R454 L455 S510	G451-V453 PolarHBondContact O-N 2.85Å; G451-R454 PolarHBondContact O-N 2.91Å; G451-L455 WeakPolarHBondContact O-CB 3.16Å; G451-L455 WeakPolarHBondContact O-CG 3.22Å; G451-L455 PolarHBondContact O-N 2.97Å; G451-S510 PolarHBondContact N-OG 3.41Å
452	N	95.1	Very high	93.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-42.3	176.3	58.5	-3.6	0	0	0	113	L410 G450 L455 V456 D507 W508 S510 S511 E515	L410-N452 HydrophobicContact CD1-CB 4.18Å; L410-N452 VanDerWaalsContact CD1-ND2 3.35Å; L410-N452 WeakPolarHBondContact CD1-ND2 3.45Å; L410-N452 HydrophobicContact CD2-CB 4.15Å; G450-N452 PolarHBondContact O-N 2.86Å; N452-L455 PolarHBondContact O-N 3.25Å; N452-V456 PolarHBondContact O-N 2.85Å; N452-D507 WeakPolarHBondContact CA-O 3.49Å; N452-D507 WeakPolarHBondContact CB-O 3.44Å; N452-D507 PolarHBondContact N-O 3.47Å; N452-W508 HydrophobicContact CB-CE3 4.05Å; N452-S510 PolarHBondContact N-OG 3.49Å; N452-S510 PolarHBondContact OD1-OG 3.46Å; N452-S511 PolarHBondContact ND2-OG 2.87Å; N452-S511 PolarHBondContact OD1-OG 2.57Å; N452-E515 PolarHBondContact ND2-O 3.36Å
453	V	96.9	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-48.1	176.1	174.5	0	0	0	0	110.5	L410 R413 I414 R417 Y444 G450 G451 L455 V456 Q457	L410-V453 HydrophobicContact CD1-CG2 3.94Å; R413-V453 HydrophobicContact CG-CG2 4.08Å; I414-V453 HydrophobicContact CG1-CB 4.37Å; I414-V453 HydrophobicContact CG1-CG1 4.13Å; I414-V453 HydrophobicContact CG1-CG2 4.13Å; R417-V453 HydrophobicContact CG-CG1 4.2Å; Y444-V453 HydrophobicContact CD1-CB 3.99Å; Y444-V453 HydrophobicContact CD1-CG1 3.76Å; Y444-V453 HydrophobicContact CD1-CG2 4.39Å; Y444-V453 HydrophobicContact CG-CG1 4.08Å; G450-V453 PolarHBondContact O-N 2.89Å; G451-V453 PolarHBondContact O-N 2.85Å; V453-L455 VanDerWaalsContact C-N 3.34Å; V453-L455 PolarHBondContact O-N 2.86Å; V453-V456 PolarHBondContact O-N 3Å; V453-Q457 HydrophobicContact CG1-CG 4.44Å; V453-Q457 VanDerWaalsContact O-CG 3.3Å; V453-Q457 WeakPolarHBondContact O-CG 3.48Å; V453-Q457 PolarHBondContact O-N 2.71Å
454	R	98.1	Very high	93.5	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.049	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-34.6	-178.9	-69	-170.4	-70.9	-85.3	1.7	112.4	L443 Y444 H446 G450 G451 Q457 M458 L484 N485 S486 V492	L443-R454 HydrophobicContact CB-CG 4.11Å; L443-R454 HydrophobicContact CD1-CB 4.2Å; L443-R454 HydrophobicContact CD1-CG 4.41Å; Y444-R454 VanDerWaalsContact O-CD 3.32Å; Y444-R454 WeakPolarHBondContact O-CD 3.43Å; Y444-R454 PolarHBondContact O-NH1 2.83Å; H446-R454 PolarHBondContact O-NH1 2.92Å; G450-R454 WeakPolarHBondContact O-CG 3.47Å; G450-R454 PolarHBondContact O-N 3.08Å; G451-R454 PolarHBondContact O-N 2.91Å; R454-Q457 WeakPolarHBondContact O-CB 3.32Å; R454-Q457 PolarHBondContact O-N 2.69Å; R454-M458 WeakPolarHBondContact O-CB 3.32Å; R454-M458 PolarHBondContact O-N 2.96Å; R454-L484 VanDerWaalsContact CD-O 3.23Å; R454-L484 WeakPolarHBondContact CD-O 3.5Å; R454-N485 PolarHBondContact NE-O 3.37Å; R454-N485 VanDerWaalsContact NE-O 3.09Å; R454-S486 VanDerWaalsContact CD-OG 3.28Å; R454-S486 WeakPolarHBondContact CD-OG 3.5Å; R454-S486 PolarHBondContact NE-OG 3.41Å; R454-V492 HydrophobicContact CB-CG2 3.62Å
455	L	97.6	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-47.7	173.4	-83.9	170.3	0	0	0	112	G451 N452 V453 M458 G459 G491 V492 V501 D507 W508 L521	G451-L455 WeakPolarHBondContact O-CB 3.16Å; G451-L455 WeakPolarHBondContact O-CG 3.22Å; G451-L455 PolarHBondContact O-N 2.97Å; N452-L455 PolarHBondContact O-N 3.25Å; V453-L455 VanDerWaalsContact C-N 3.34Å; V453-L455 PolarHBondContact O-N 2.86Å; L455-M458 PolarHBondContact O-N 3.06Å; L455-G459 PolarHBondContact O-N 2.84Å; L455-G491 VanDerWaalsContact CD2-C 3.43Å; L455-G491 WeakPolarHBondContact CD2-O 3.46Å; L455-V492 HydrophobicContact CD2-CG2 4.28Å; L455-V492 HydrophobicContact CG-CG2 4.22Å; L455-V501 HydrophobicContact CD1-CG1 4.46Å; L455-V501 HydrophobicContact CD2-CG1 4.38Å; L455-V501 HydrophobicContact CD2-CG2 3.98Å; L455-D507 HydrophobicContact CD1-CB 3.71Å; L455-W508 HydrophobicContact CB-CE3 4.33Å; L455-W508 HydrophobicContact CB-CH2 3.58Å; L455-W508 HydrophobicContact CB-CZ2 4.18Å; L455-W508 HydrophobicContact CB-CZ3 3.67Å; L455-W508 HydrophobicContact CD1-CD2 3.74Å; L455-W508 HydrophobicContact CD1-CE3 3.84Å; L455-W508 HydrophobicContact CD1-CG 4.41Å; L455-W508 HydrophobicContact CD1-CH2 3.98Å; L455-W508 HydrophobicContact CD1-CZ2 3.83Å; L455-W508 HydrophobicContact CD1-CZ3 3.97Å; L455-W508 HydrophobicContact CG-CH2 4.32Å; L455-W508 HydrophobicContact CG-CZ2 4.46Å; L455-W508 HydrophobicContact CG-CZ3 4.47Å; L455-L521 WeakPolarHBondContact O-CD2 3.27Å
456	V	97.7	Very high	93.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.1	-43.2	176.1	178.5	0	0	0	0	110.8	L391 L400 L404 I414 N452 V453 M458 G459 V460 W508	L391-V456 HydrophobicContact CD2-CG1 3.94Å; L400-V456 HydrophobicContact CD2-CG1 4.16Å; L400-V456 HydrophobicContact CG-CG1 4.42Å; L404-V456 HydrophobicContact CD2-CG1 4.31Å; I414-V456 HydrophobicContact CD1-CB 3.77Å; I414-V456 HydrophobicContact CD1-CG1 3.9Å; I414-V456 HydrophobicContact CD1-CG2 3.76Å; N452-V456 PolarHBondContact O-N 2.85Å; V453-V456 PolarHBondContact O-N 3Å; V456-M458 VanDerWaalsContact C-N 3.31Å; V456-M458 PolarHBondContact O-N 3.01Å; V456-G459 PolarHBondContact O-N 3.47Å; V456-V460 WeakPolarHBondContact O-CG2 3.36Å; V456-V460 PolarHBondContact O-N 2.84Å; V456-W508 HydrophobicContact CG2-CH2 4.49Å; V456-W508 HydrophobicContact CG2-CZ3 4.09Å
457	Q	98.6	Very high	94.4	Very high	6 Å²	6	26 Å²	26	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-55.9	-45.6	175.3	-75.4	-178.9	-21.3	0	0	111.9	L387 T419 L443 Y444 V453 R454 V460 A461	L387-Q457 HydrophobicContact CD1-CB 3.65Å; L387-Q457 HydrophobicContact CD1-CG 3.94Å; T419-Q457 VanDerWaalsContact CB-NE2 3.25Å; T419-Q457 PolarHBondContact OG1-NE2 3.44Å; L443-Q457 HydrophobicContact CD2-CB 4.01Å; Y444-Q457 VanDerWaalsContact N-OE1 3.11Å; V453-Q457 HydrophobicContact CG1-CG 4.44Å; V453-Q457 VanDerWaalsContact O-CG 3.3Å; V453-Q457 WeakPolarHBondContact O-CG 3.48Å; V453-Q457 PolarHBondContact O-N 2.71Å; R454-Q457 WeakPolarHBondContact O-CB 3.32Å; R454-Q457 PolarHBondContact O-N 2.69Å; Q457-V460 PolarHBondContact O-N 2.84Å; Q457-A461 WeakPolarHBondContact O-CB 3.14Å; Q457-A461 PolarHBondContact O-N 3.36Å
458	M	98.7	Very high	95.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67	-39.4	178	-174.3	54.7	64.6	0	0	112.1	L443 R454 L455 V456 V460 A461 L462 F480 L484 V492 L495 L496	L443-M458 HydrophobicContact CD1-CE 3.93Å; R454-M458 WeakPolarHBondContact O-CB 3.32Å; R454-M458 PolarHBondContact O-N 2.96Å; L455-M458 PolarHBondContact O-N 3.06Å; V456-M458 VanDerWaalsContact C-N 3.31Å; V456-M458 PolarHBondContact O-N 3.01Å; M458-V460 PolarHBondContact O-N 3.09Å; M458-A461 PolarHBondContact O-N 2.93Å; M458-A461 HydrophobicContact SD-CB 4.49Å; M458-L462 HydrophobicContact CG-CD1 3.88Å; M458-L462 HydrophobicContact CG-CG 4.23Å; M458-L462 VanDerWaalsContact O-CG 3.31Å; M458-L462 WeakPolarHBondContact O-CG 3.23Å; M458-L462 PolarHBondContact O-N 2.81Å; M458-L462 HydrophobicContact SD-CD1 4.15Å; M458-L462 HydrophobicContact SD-CD2 4.27Å; M458-L462 HydrophobicContact SD-CG 3.92Å; M458-F480 HydrophobicContact CE-CE1 3.85Å; M458-F480 HydrophobicContact CE-CZ 3.92Å; M458-F480 HydrophobicContact SD-CE1 3.55Å; M458-F480 VanDerWaalsContact SD-CE1 3.55Å; M458-F480 HydrophobicContact SD-CZ 4.07Å; M458-L484 HydrophobicContact CE-CD1 4.38Å; M458-L484 HydrophobicContact CE-CD2 3.89Å; M458-V492 HydrophobicContact CB-CG1 4.25Å; M458-V492 HydrophobicContact CE-CG1 3.92Å; M458-V492 HydrophobicContact CG-CG1 4.21Å; M458-L495 HydrophobicContact CB-CD2 4.23Å; M458-L495 HydrophobicContact CG-CD2 3.85Å; M458-L496 HydrophobicContact CE-CD1 3.94Å; M458-L496 HydrophobicContact CE-CD2 4.48Å; M458-L496 HydrophobicContact CG-CD2 4.4Å; M458-L496 HydrophobicContact CG-CG 4.4Å; M458-L496 HydrophobicContact SD-CD1 4.24Å; M458-L496 HydrophobicContact SD-CD2 3.78Å; M458-L496 HydrophobicContact SD-CG 4.23Å
459	G	98.3	Very high	96.8	Very high	5 Å²	5	15.2 Å²	15.2	5%	0.052	8%	0.078	C	C	.	.	H	α-helix	trans	-58	-47.2	174.7	0	0	0	0	0	112.8	L455 V456 L462 Q463	L455-G459 PolarHBondContact O-N 2.84Å; V456-G459 PolarHBondContact O-N 3.47Å; G459-L462 PolarHBondContact O-N 3.28Å; G459-Q463 WeakPolarHBondContact O-CG 3.41Å; G459-Q463 PolarHBondContact O-N 3.49Å; G459-Q463 VanDerWaalsContact O-N 3.13Å
460	V	98.8	Very high	97.6	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-59.7	-47.2	174.1	175.2	0	0	0	0	110.5	I385 L387 A390 L391 H397 L400 V456 Q457 M458 L462 Q463 H464	I385-V460 HydrophobicContact CD1-CG1 4.31Å; L387-V460 HydrophobicContact CB-CG1 4.39Å; L387-V460 HydrophobicContact CD2-CB 4.3Å; L387-V460 HydrophobicContact CD2-CG1 3.86Å; A390-V460 HydrophobicContact CB-CG1 4.11Å; L391-V460 HydrophobicContact CB-CG2 3.99Å; L391-V460 HydrophobicContact CD1-CG2 3.87Å; L391-V460 HydrophobicContact CG-CG2 4.37Å; H397-V460 PolarHBondContact CE1-O 2.98Å; H397-V460 VanDerWaalsContact CE1-O 3.24Å; L400-V460 HydrophobicContact CD2-CG2 3.78Å; V456-V460 WeakPolarHBondContact O-CG2 3.36Å; V456-V460 PolarHBondContact O-N 2.84Å; Q457-V460 PolarHBondContact O-N 2.84Å; M458-V460 PolarHBondContact O-N 3.09Å; V460-L462 PolarHBondContact O-N 3.41Å; V460-Q463 PolarHBondContact O-N 3.01Å; V460-H464 WeakPolarHBondContact O-CB 3.37Å; V460-H464 PolarHBondContact O-N 3.32Å
461	A	98.9	Very high	98	Very high	1 Å²	1	19 Å²	19	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-46.8	-179.1	0	0	0	0	0	112.6	L387 L421 Q457 M458 H464 L465 F480	L387-A461 HydrophobicContact CD2-CB 4.15Å; L421-A461 HydrophobicContact CD1-CB 4.39Å; L421-A461 HydrophobicContact CD2-CB 3.89Å; Q457-A461 WeakPolarHBondContact O-CB 3.14Å; Q457-A461 PolarHBondContact O-N 3.36Å; M458-A461 PolarHBondContact O-N 2.93Å; M458-A461 HydrophobicContact SD-CB 4.49Å; A461-H464 PolarHBondContact O-N 3.24Å; A461-L465 WeakPolarHBondContact O-CB 3.43Å; A461-L465 WeakPolarHBondContact O-CG 3.23Å; A461-L465 PolarHBondContact O-N 2.91Å; A461-F480 HydrophobicContact CB-CZ 4.42Å
462	L	98.8	Very high	98.1	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-66.5	-40.2	-179.2	-67	169.8	0	0	0	112.2	M458 G459 V460 S466 F480 L495 L496 T524 F525	M458-L462 HydrophobicContact CG-CD1 3.88Å; M458-L462 HydrophobicContact CG-CG 4.23Å; M458-L462 VanDerWaalsContact O-CG 3.31Å; M458-L462 WeakPolarHBondContact O-CG 3.23Å; M458-L462 PolarHBondContact O-N 2.81Å; M458-L462 HydrophobicContact SD-CD1 4.15Å; M458-L462 HydrophobicContact SD-CD2 4.27Å; M458-L462 HydrophobicContact SD-CG 3.92Å; G459-L462 PolarHBondContact O-N 3.28Å; V460-L462 PolarHBondContact O-N 3.41Å; L462-S466 WeakPolarHBondContact O-CB 3.29Å; L462-S466 PolarHBondContact O-N 3.07Å; L462-F480 HydrophobicContact CD2-CE1 4.45Å; L462-L495 HydrophobicContact CD1-CD2 3.95Å; L462-L495 HydrophobicContact CD1-CG 4.01Å; L462-L496 HydrophobicContact CD1-CD2 4.25Å; L462-L496 HydrophobicContact CD2-CD2 3.87Å; L462-T524 VanDerWaalsContact C-OG1 3.26Å; L462-T524 PolarHBondContact O-OG1 3.09Å; L462-F525 HydrophobicContact CB-CD2 4.35Å; L462-F525 HydrophobicContact CD2-CD2 3.79Å; L462-F525 HydrophobicContact CD2-CE2 4.21Å; L462-F525 WeakPolarHBondContact O-CE2 3.35Å
463	Q	98.6	Very high	98.2	Very high	41 Å²	41	21.2 Å²	21.2	19%	0.192	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-47.6	174.3	-75.7	-179.1	-26.1	0	0	111.4	L396 H397 G459 V460 S466 Q467 T524	L396-Q463 HydrophobicContact CD2-CB 4.42Å; L396-Q463 HydrophobicContact CG-CB 4.38Å; H397-Q463 PolarHBondContact ND1-OE1 3.26Å; G459-Q463 WeakPolarHBondContact O-CG 3.41Å; G459-Q463 PolarHBondContact O-N 3.49Å; G459-Q463 VanDerWaalsContact O-N 3.13Å; V460-Q463 PolarHBondContact O-N 3.01Å; Q463-S466 PolarHBondContact O-N 2.96Å; Q463-Q467 PolarHBondContact O-N 3.13Å; Q463-Q467 VanDerWaalsContact O-N 3.08Å; Q463-T524 HydrophobicContact CG-CG2 3.97Å
464	H	98.8	Very high	98.1	Very high	19 Å²	19	26.2 Å²	26.2	9%	0.088	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-47.7	178	-177.4	71.8	0	0	0	112.4	H383 I385 V460 A461 S466 Q467 V468	H383-H464 PolarHBondContact O-NE2 3.27Å; I385-H464 HydrophobicContact CD1-CB 3.73Å; I385-H464 VanDerWaalsContact CD1-CG 3.48Å; I385-H464 VanDerWaalsContact CG2-CE1 3.43Å; I385-H464 WeakPolarHBondContact CG2-CE1 3.37Å; V460-H464 WeakPolarHBondContact O-CB 3.37Å; V460-H464 PolarHBondContact O-N 3.32Å; A461-H464 PolarHBondContact O-N 3.24Å; H464-S466 VanDerWaalsContact C-N 3.32Å; H464-S466 PolarHBondContact O-N 3.13Å; H464-Q467 PolarHBondContact O-N 2.84Å; H464-V468 WeakPolarHBondContact O-CG2 3.22Å; H464-V468 PolarHBondContact O-N 3.06Å
465	L	98.8	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-40.9	178.6	-72.5	168.5	0	0	0	112.2	L421 V423 A439 A461 Q467 V468 I469 L478 F480 F525	L421-L465 HydrophobicContact CD2-CD1 4.47Å; L421-L465 HydrophobicContact CD2-CD2 4.3Å; L421-L465 HydrophobicContact CD2-CG 4.07Å; V423-L465 HydrophobicContact CB-CD2 4.44Å; V423-L465 HydrophobicContact CG1-CD2 3.87Å; V423-L465 HydrophobicContact CG2-CD2 3.7Å; A439-L465 HydrophobicContact CB-CD1 3.88Å; A439-L465 HydrophobicContact CB-CD2 3.59Å; A439-L465 HydrophobicContact CB-CG 4.39Å; A461-L465 WeakPolarHBondContact O-CB 3.43Å; A461-L465 WeakPolarHBondContact O-CG 3.23Å; A461-L465 PolarHBondContact O-N 2.91Å; L465-Q467 VanDerWaalsContact C-N 3.34Å; L465-V468 PolarHBondContact O-N 2.85Å; L465-I469 WeakPolarHBondContact O-CG1 3.28Å; L465-I469 PolarHBondContact O-N 3.45Å; L465-L478 HydrophobicContact CD1-CD1 4.12Å; L465-L478 HydrophobicContact CD1-CD2 4.29Å; L465-L478 HydrophobicContact CD2-CD1 4.2Å; L465-F480 HydrophobicContact CD1-CD1 4Å; L465-F480 HydrophobicContact CD1-CE1 3.93Å; L465-F480 HydrophobicContact CD1-CG 4.47Å; L465-F480 HydrophobicContact CD1-CZ 4.36Å; L465-F525 HydrophobicContact CB-CE2 3.83Å; L465-F525 HydrophobicContact CB-CZ 3.84Å
466	S	98.3	Very high	97.8	Very high	40 Å²	40	29.4 Å²	29.4	28%	0.28	19%	0.19	S	C	.	.	H	α-helix	trans	-62.7	-41.8	176.6	-175.3	0	0	0	0	111.5	L462 Q463 H464 A470 T524	L462-S466 WeakPolarHBondContact O-CB 3.29Å; L462-S466 PolarHBondContact O-N 3.07Å; Q463-S466 PolarHBondContact O-N 2.96Å; H464-S466 VanDerWaalsContact C-N 3.32Å; H464-S466 PolarHBondContact O-N 3.13Å; S466-A470 WeakPolarHBondContact O-CB 3.38Å; S466-A470 PolarHBondContact O-N 2.86Å; S466-T524 WeakPolarHBondContact CB-OG1 3.29Å
467	Q	98.4	Very high	97.7	Very high	77 Å²	77	29.6 Å²	29.6	36%	0.36	19%	0.192	S	C	.	.	H	α-helix	trans	-65.7	-46.9	177.6	-171.5	62.7	44.9	0	0	111.4	L396 Q463 H464 L465 I469 A470 D471	L396-Q467 HydrophobicContact CD1-CB 4.49Å; L396-Q467 HydrophobicContact CD2-CB 3.85Å; L396-Q467 HydrophobicContact CD2-CG 4.26Å; Q463-Q467 PolarHBondContact O-N 3.13Å; Q463-Q467 VanDerWaalsContact O-N 3.08Å; H464-Q467 PolarHBondContact O-N 2.84Å; L465-Q467 VanDerWaalsContact C-N 3.34Å; Q467-I469 VanDerWaalsContact C-N 3.33Å; Q467-I469 PolarHBondContact O-N 2.83Å; Q467-A470 PolarHBondContact O-N 3.36Å; Q467-D471 PolarHBondContact NE2-OD1 3.3Å; Q467-D471 PolarHBondContact NE2-OD2 3.21Å; Q467-D471 PolarHBondContact O-N 3.14Å
468	V	98.6	Very high	97.7	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-44.7	177.8	171.3	0	0	0	0	111.4	H383 V423 V425 H464 L465 D471 V472	H383-V468 HydrophobicContact CB-CG1 4.16Å; H383-V468 HydrophobicContact CB-CG2 3.67Å; V423-V468 HydrophobicContact CG1-CG1 4.13Å; V425-V468 HydrophobicContact CG2-CG1 3.98Å; H464-V468 WeakPolarHBondContact O-CG2 3.22Å; H464-V468 PolarHBondContact O-N 3.06Å; L465-V468 PolarHBondContact O-N 2.85Å; V468-D471 PolarHBondContact O-N 2.89Å; V468-V472 VanDerWaalsContact O-CB 3.27Å; V468-V472 WeakPolarHBondContact O-CB 3.48Å; V468-V472 PolarHBondContact O-N 3.13Å
469	I	98.4	Very high	97.7	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.087	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-45.8	177.2	-70	170.9	0	0	0	110.3	C437 L465 Q467 D471 A473 P474 L478 F525	C437-I469 HydrophobicContact CB-CD1 3.75Å; C437-I469 HydrophobicContact CB-CG1 3.6Å; L465-I469 WeakPolarHBondContact O-CG1 3.28Å; L465-I469 PolarHBondContact O-N 3.45Å; Q467-I469 VanDerWaalsContact C-N 3.33Å; Q467-I469 PolarHBondContact O-N 2.83Å; I469-D471 VanDerWaalsContact C-N 3.32Å; I469-D471 PolarHBondContact O-N 2.9Å; I469-A473 CarbonylContact O-C 3.58Å; I469-A473 PolarHBondContact O-N 2.99Å; I469-A473 VanDerWaalsContact O-N 3.12Å; I469-A473 VanDerWaalsContact O-O 3.12Å; I469-P474 WeakPolarHBondContact O-CA 3.28Å; I469-L478 HydrophobicContact CD1-CB 4.25Å; I469-F525 HydrophobicContact CD1-CE1 3.75Å; I469-F525 HydrophobicContact CD1-CZ 3.83Å
470	A	98.1	Very high	97.7	Very high	57 Å²	57	29.2 Å²	29.2	47%	0.471	19%	0.189	S	C	.	.	H	α-helix	trans	-61.4	-38.5	-179.7	0	0	0	0	0	113	S466 Q467	S466-A470 WeakPolarHBondContact O-CB 3.38Å; S466-A470 PolarHBondContact O-N 2.86Å; Q467-A470 PolarHBondContact O-N 3.36Å
471	D	97.8	Very high	97.7	Very high	111 Å²	111	29.2 Å²	29.2	59%	0.594	19%	0.189	S	C	*	.	H	α-helix	trans	-86.9	-37.6	-175	-69	-16.8	0	0	0	113.4	Q467 V468 I469	Q467-D471 PolarHBondContact NE2-OD1 3.3Å; Q467-D471 PolarHBondContact NE2-OD2 3.21Å; Q467-D471 PolarHBondContact O-N 3.14Å; V468-D471 PolarHBondContact O-N 2.89Å; I469-D471 VanDerWaalsContact C-N 3.32Å; I469-D471 PolarHBondContact O-N 2.9Å
472	V	97.4	Very high	97.7	Very high	47 Å²	47	29.2 Å²	29.2	29%	0.285	19%	0.189	S	C	.	.	H	α-helix	trans	-109.9	-34.4	-165.1	-175	0	0	0	0	112.7	L380 S381 V425 V468	L380-V472 HydrophobicContact CD2-CG1 4.47Å; S381-V472 WeakPolarHBondContact OG-CG1 3.41Å; V425-V472 HydrophobicContact CG1-CG1 4.48Å; V425-V472 HydrophobicContact CG2-CG1 4.28Å; V468-V472 VanDerWaalsContact O-CB 3.27Å; V468-V472 WeakPolarHBondContact O-CB 3.48Å; V468-V472 PolarHBondContact O-N 3.13Å
473	A	96	Very high	97.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	19%	0.189	C	C	.	.	S	Bend	trans	-143.7	65.9	-177.3	0	0	0	0	0	111.7	V425 K435 I469 G475 A476	V425-A473 HydrophobicContact CG1-CB 3.7Å; K435-A473 HydrophobicContact CB-CB 4.03Å; K435-A473 HydrophobicContact CD-CB 3.68Å; I469-A473 CarbonylContact O-C 3.58Å; I469-A473 PolarHBondContact O-N 2.99Å; I469-A473 VanDerWaalsContact O-N 3.12Å; I469-A473 VanDerWaalsContact O-O 3.12Å; A473-G475 PolarHBondContact O-N 3.4Å; A473-A476 HydrophobicContact CB-CB 3.68Å; A473-A476 WeakPolarHBondContact O-CB 3.23Å; A473-A476 PolarHBondContact O-N 3.01Å
474	P	95.9	Very high	97.7	Very high	105 Å²	105	27.4 Å²	27.4	68%	0.682	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	126.1	-176.1	-24.3	31.1	0	0	0	111.8	I469 A476	I469-P474 WeakPolarHBondContact O-CA 3.28Å; P474-A476 VanDerWaalsContact C-N 3.28Å; P474-A476 PolarHBondContact O-N 3.41Å
475	G	91.9	Very high	97.7	Very high	72 Å²	72	27.6 Å²	27.6	74%	0.742	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	1	-179.5	0	0	0	0	0	115.4	A473	A473-G475 PolarHBondContact O-N 3.4Å
476	A	96.3	Very high	97.6	Very high	7 Å²	7	27.7 Å²	27.7	6%	0.058	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-63.5	132.3	172.4	0	0	0	0	0	110.7	K435 A473 P474	K435-A476 HydrophobicContact CB-CB 4.06Å; K435-A476 VanDerWaalsContact O-CB 3.26Å; K435-A476 WeakPolarHBondContact O-CB 3.37Å; A473-A476 HydrophobicContact CB-CB 3.68Å; A473-A476 WeakPolarHBondContact O-CB 3.23Å; A473-A476 PolarHBondContact O-N 3.01Å; P474-A476 VanDerWaalsContact C-N 3.28Å; P474-A476 PolarHBondContact O-N 3.41Å
477	P	96.3	Very high	97.6	Very high	5 Å²	5	28 Å²	28	3%	0.032	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-64.5	149.2	170.4	24.7	-34.2	0	0	0	112.3	K435 V436 C437 M558 W596	K435-P477 WeakPolarHBondContact O-CD 3.32Å; V436-P477 HydrophobicContact CG2-CG 4.46Å; C437-P477 PolarHBondContact N-O 3.18Å; P477-M558 HydrophobicContact CB-CE 3.78Å; P477-M558 HydrophobicContact CB-CG 4.19Å; P477-M558 HydrophobicContact CG-CE 3.36Å; P477-M558 HydrophobicContact CG-CG 4.4Å; P477-W596 HydrophobicContact CG-CE3 3.9Å; P477-W596 HydrophobicContact CG-CH2 3.38Å; P477-W596 HydrophobicContact CG-CZ2 4.38Å; P477-W596 HydrophobicContact CG-CZ3 3.11Å
478	L	98.3	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.5	169.2	179.2	63.8	0	0	0	110.8	C437 A439 L465 I469 F480 F525 L528 Q554	C437-L478 HydrophobicContact CB-CD1 4.5Å; C437-L478 WeakPolarHBondContact O-CA 3.27Å; A439-L478 HydrophobicContact CB-CD1 3.98Å; L465-L478 HydrophobicContact CD1-CD1 4.12Å; L465-L478 HydrophobicContact CD1-CD2 4.29Å; L465-L478 HydrophobicContact CD2-CD1 4.2Å; I469-L478 HydrophobicContact CD1-CB 4.25Å; L478-F480 HydrophobicContact CD1-CB 4.17Å; L478-F480 HydrophobicContact CD2-CB 4.12Å; L478-F480 HydrophobicContact CD2-CD1 4.46Å; L478-F480 HydrophobicContact CG-CB 4.01Å; L478-F525 HydrophobicContact CB-CE1 4.15Å; L478-F525 HydrophobicContact CD2-CD1 4.18Å; L478-F525 HydrophobicContact CD2-CD2 4.43Å; L478-F525 HydrophobicContact CD2-CE1 3.86Å; L478-F525 HydrophobicContact CD2-CE2 4.12Å; L478-F525 HydrophobicContact CD2-CG 4.45Å; L478-F525 HydrophobicContact CD2-CZ 3.84Å; L478-L528 HydrophobicContact CD2-CD1 4.16Å; L478-Q554 HydrophobicContact CB-CG 4.32Å
479	V	98.7	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	106.7	160.2	177.5	0	0	0	0	107	V281 V436 C437 V438 A439 I551 M558 L594	V281-V479 HydrophobicContact CG1-CG1 3.94Å; V281-V479 HydrophobicContact CG2-CG1 4.36Å; V436-V479 HydrophobicContact CG2-CB 4.38Å; V436-V479 HydrophobicContact CG2-CG2 3.78Å; C437-V479 PolarHBondContact O-N 2.77Å; V438-V479 WeakPolarHBondContact CA-O 3.42Å; A439-V479 PolarHBondContact N-O 3.31Å; V479-I551 HydrophobicContact CG1-CG2 4.18Å; V479-M558 HydrophobicContact CG2-CE 3.76Å; V479-M558 HydrophobicContact CG2-SD 3.66Å; V479-L594 HydrophobicContact CG2-CD1 4.2Å
480	F	98.9	Very high	97.4	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	100.7	-176	-169.3	-179.7	0	0	0	111	L421 A439 T441 M458 A461 L462 L465 L478 L496 F552	L421-F480 HydrophobicContact CD1-CE2 3.92Å; L421-F480 HydrophobicContact CD1-CZ 4.04Å; A439-F480 HydrophobicContact CB-CB 4.19Å; A439-F480 HydrophobicContact CB-CD2 3.5Å; A439-F480 HydrophobicContact CB-CE2 4.01Å; A439-F480 HydrophobicContact CB-CG 3.91Å; T441-F480 HydrophobicContact CG2-CE2 3.69Å; T441-F480 HydrophobicContact CG2-CZ 3.93Å; M458-F480 HydrophobicContact CE-CE1 3.85Å; M458-F480 HydrophobicContact CE-CZ 3.92Å; M458-F480 HydrophobicContact SD-CE1 3.55Å; M458-F480 VanDerWaalsContact SD-CE1 3.55Å; M458-F480 HydrophobicContact SD-CZ 4.07Å; A461-F480 HydrophobicContact CB-CZ 4.42Å; L462-F480 HydrophobicContact CD2-CE1 4.45Å; L465-F480 HydrophobicContact CD1-CD1 4Å; L465-F480 HydrophobicContact CD1-CE1 3.93Å; L465-F480 HydrophobicContact CD1-CG 4.47Å; L465-F480 HydrophobicContact CD1-CZ 4.36Å; L478-F480 HydrophobicContact CD1-CB 4.17Å; L478-F480 HydrophobicContact CD2-CB 4.12Å; L478-F480 HydrophobicContact CD2-CD1 4.46Å; L478-F480 HydrophobicContact CG-CB 4.01Å; F480-L496 HydrophobicContact CD1-CD2 4.43Å; F480-F552 HydrophobicContact CB-CB 4.22Å; F480-F552 PolarHBondContact N-O 2.96Å; F480-F552 PolarHBondContact O-N 3.25Å
481	C	98.9	Very high	97.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	155.3	175.5	-63.1	0	0	0	0	111.2	C332 A439 N440 T441 Y550	C332-C481 HydrophobicContact CB-CB 3.38Å; A439-C481 PolarHBondContact O-N 3.27Å; N440-C481 VanDerWaalsContact CA-O 3.29Å; N440-C481 WeakPolarHBondContact CA-O 3.41Å; T441-C481 PolarHBondContact N-O 3.32Å; C481-Y550 WeakPolarHBondContact CA-O 3.31Å
482	G	98.6	Very high	97.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.3	163.9	166.8	0	0	0	0	0	114.7	S283 T441 D549 Y550	S283-G482 PolarHBondContact OG-N 2.87Å; T441-G482 WeakPolarHBondContact O-CA 3.27Å; G482-D549 WeakPolarHBondContact O-CA 3.46Å; G482-Y550 PolarHBondContact N-O 3.14Å; G482-Y550 VanDerWaalsContact N-O 3.16Å; G482-Y550 PolarHBondContact O-N 3Å
483	D	98.8	Very high	97.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	105	159.1	-178.6	-12.2	0	0	0	107.5	N285 Q334 T441 H442 L443 N485 H587	N285-D483 HydrophobicContact CB-CB 4.49Å; N285-D483 PolarHBondContact ND2-OD2 2.95Å; Q334-D483 HydrophobicContact CG-CB 4.2Å; T441-D483 PolarHBondContact O-N 2.89Å; H442-D483 CarbonylContact C-O 3.5Å; H442-D483 VanDerWaalsContact CA-O 3.27Å; H442-D483 WeakPolarHBondContact CA-O 3.43Å; H442-D483 IonicContact CD2-OD2 2.65Å; H442-D483 IonicContact NE2-OD2 2.7Å; L443-D483 PolarHBondContact N-O 3.4Å; D483-N485 VanDerWaalsContact C-N 3.32Å; D483-N485 PolarHBondContact OD1-N 3.23Å; D483-N485 PolarHBondContact OD1-ND2 2.86Å; D483-H587 IonicContact OD2-CE1 2.75Å; D483-H587 PolarHBondContact OD2-CE1 3.45Å; D483-H587 IonicContact OD2-NE2 2.68Å
484	L	98.6	Very high	97.5	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	15%	0.153	C	C	.	.			trans	-86.5	-6.4	-178	-57.6	-169.8	0	0	0	112.2	T441 L443 R454 M458 S486 V492 L496 L548 Y550 F552	T441-L484 HydrophobicContact CG2-CD2 3.89Å; L443-L484 HydrophobicContact CD1-CB 4.21Å; L443-L484 HydrophobicContact CD1-CD2 4.05Å; L443-L484 HydrophobicContact CG-CD2 4.17Å; R454-L484 VanDerWaalsContact CD-O 3.23Å; R454-L484 WeakPolarHBondContact CD-O 3.5Å; M458-L484 HydrophobicContact CE-CD1 4.38Å; M458-L484 HydrophobicContact CE-CD2 3.89Å; L484-S486 WeakPolarHBondContact O-CB 3.29Å; L484-S486 PolarHBondContact O-N 2.94Å; L484-S486 PolarHBondContact O-OG 3.11Å; L484-V492 HydrophobicContact CD1-CG1 4.33Å; L484-L496 HydrophobicContact CD1-CD1 3.69Å; L484-L548 PolarHBondContact N-O 3.46Å; L484-Y550 HydrophobicContact CB-CD2 4.1Å; L484-Y550 HydrophobicContact CB-CE2 4.26Å; L484-Y550 HydrophobicContact CD1-CD2 3.55Å; L484-Y550 HydrophobicContact CD1-CE2 4.16Å; L484-Y550 HydrophobicContact CD1-CG 4.22Å; L484-Y550 HydrophobicContact CG-CD2 3.77Å; L484-Y550 HydrophobicContact CG-CE2 4.4Å; L484-F552 HydrophobicContact CD1-CD2 4.31Å; L484-F552 HydrophobicContact CD1-CE2 3.77Å
485	N	98.4	Very high	97.6	Very high	23 Å²	23	18.5 Å²	18.5	12%	0.123	12%	0.121	C	C	.	.			trans	45.9	35	-172.4	-81.6	-65.5	0	0	0	112.7	H442 L443 W445 R454 D483	H442-N485 PolarHBondContact CD2-ND2 2.99Å; H442-N485 VanDerWaalsContact CD2-ND2 3.28Å; H442-N485 PolarHBondContact NE2-ND2 2.89Å; L443-N485 PolarHBondContact O-ND2 2.81Å; W445-N485 WeakPolarHBondContact CA-ND2 3.38Å; R454-N485 PolarHBondContact NE-O 3.37Å; R454-N485 VanDerWaalsContact NE-O 3.09Å; D483-N485 VanDerWaalsContact C-N 3.32Å; D483-N485 PolarHBondContact OD1-N 3.23Å; D483-N485 PolarHBondContact OD1-ND2 2.86Å
486	S	97.9	Very high	98	Very high	2 Å²	2	15 Å²	15	1%	0.014	9%	0.085	C	C	.	.			trans	-141.4	122.1	-168.3	-63.2	0	0	0	0	110	R454 L484 S490 C547 Y550	R454-S486 VanDerWaalsContact CD-OG 3.28Å; R454-S486 WeakPolarHBondContact CD-OG 3.5Å; R454-S486 PolarHBondContact NE-OG 3.41Å; L484-S486 WeakPolarHBondContact O-CB 3.29Å; L484-S486 PolarHBondContact O-N 2.94Å; L484-S486 PolarHBondContact O-OG 3.11Å; S486-S490 WeakPolarHBondContact CB-OG 3.46Å; S486-C547 VanDerWaalsContact O-O 3.08Å; S486-Y550 VanDerWaalsContact O-CE2 3.23Å; S486-Y550 WeakPolarHBondContact O-CE2 3.39Å; S486-Y550 PolarHBondContact O-OH 3.45Å
487	T	97.3	Very high	98	Very high	48 Å²	48	16.9 Å²	16.9	29%	0.294	10%	0.097	S	C	.	.			trans	-74.6	164	178.6	48.6	0	0	0	0	111.7	D489 S490 V493 C547 L548	T487-D489 WeakPolarHBondContact CB-OD1 3.29Å; T487-D489 PolarHBondContact O-N 3.37Å; T487-D489 VanDerWaalsContact O-N 3.08Å; T487-D489 PolarHBondContact OG1-OD1 2.9Å; T487-S490 VanDerWaalsContact O-CB 3.22Å; T487-S490 WeakPolarHBondContact O-CB 3.38Å; T487-S490 PolarHBondContact O-N 3.32Å; T487-S490 PolarHBondContact O-OG 3.23Å; T487-V493 WeakPolarHBondContact O-CG2 3.44Å; T487-C547 WeakPolarHBondContact CA-O 3.4Å; T487-L548 HydrophobicContact CG2-CD2 4.17Å
488	P	97.9	Very high	98.1	Very high	40 Å²	40	22.2 Å²	22.2	26%	0.26	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.3	-176.5	-29.3	37.6	0	0	0	115.7	Q534 C547 Y550	P488-Q534 HydrophobicContact CB-CB 4.38Å; P488-Q534 HydrophobicContact CB-CG 4.02Å; P488-Q534 HydrophobicContact CG-CB 4.03Å; P488-Q534 HydrophobicContact CG-CG 4.09Å; P488-C547 HydrophobicContact CG-CB 4.03Å; P488-Y550 WeakPolarHBondContact CD-OH 2.95Å
489	D	95.6	Very high	98.1	Very high	131 Å²	131	23.1 Å²	23.1	70%	0.701	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	0.4	177.7	62.3	-35.7	0	0	0	114	T487	T487-D489 WeakPolarHBondContact CB-OD1 3.29Å; T487-D489 PolarHBondContact O-N 3.37Å; T487-D489 VanDerWaalsContact O-N 3.08Å; T487-D489 PolarHBondContact OG1-OD1 2.9Å
490	S	97.1	Very high	98.1	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.042	15%	0.146	C	C	.	.	S	Bend	trans	-74.9	157.4	178.3	67.8	0	0	0	0	112.9	S486 T487 V492 V493 Q494	S486-S490 WeakPolarHBondContact CB-OG 3.46Å; T487-S490 VanDerWaalsContact O-CB 3.22Å; T487-S490 WeakPolarHBondContact O-CB 3.38Å; T487-S490 PolarHBondContact O-N 3.32Å; T487-S490 PolarHBondContact O-OG 3.23Å; S490-V492 PolarHBondContact O-N 3.27Å; S490-V493 PolarHBondContact O-N 3.49Å; S490-V493 PolarHBondContact OG-N 3Å; S490-Q494 PolarHBondContact O-N 3.31Å
491	G	97.3	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-29.5	174.3	0	0	0	0	0	112.2	L455 Q494 L495 V501 H505 D507	L455-G491 VanDerWaalsContact CD2-C 3.43Å; L455-G491 WeakPolarHBondContact CD2-O 3.46Å; G491-Q494 PolarHBondContact O-N 3.04Å; G491-L495 WeakPolarHBondContact O-CB 3.45Å; G491-L495 PolarHBondContact O-N 2.91Å; G491-V501 WeakPolarHBondContact O-CG2 3.48Å; G491-H505 WeakPolarHBondContact CA-CE1 3.38Å; G491-H505 PolarHBondContact N-CE1 3.28Å; G491-D507 PolarHBondContact N-OD2 2.79Å
492	V	98.1	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-46.3	176.5	175.9	0	0	0	0	110.8	L443 R454 L455 M458 L484 S490 L495 L496	L443-V492 HydrophobicContact CD1-CG1 4.14Å; R454-V492 HydrophobicContact CB-CG2 3.62Å; L455-V492 HydrophobicContact CD2-CG2 4.28Å; L455-V492 HydrophobicContact CG-CG2 4.22Å; M458-V492 HydrophobicContact CB-CG1 4.25Å; M458-V492 HydrophobicContact CE-CG1 3.92Å; M458-V492 HydrophobicContact CG-CG1 4.21Å; L484-V492 HydrophobicContact CD1-CG1 4.33Å; S490-V492 PolarHBondContact O-N 3.27Å; V492-L495 WeakPolarHBondContact O-CB 3.49Å; V492-L495 PolarHBondContact O-N 3.5Å; V492-L496 HydrophobicContact CG1-CD1 4.32Å; V492-L496 WeakPolarHBondContact O-CG 3.44Å; V492-L496 PolarHBondContact O-N 3.47Å
493	V	98.4	Very high	97.7	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-41.2	177.6	175	0	0	0	0	110	T487 S490 L495 L496 S497 Y550 F552	T487-V493 WeakPolarHBondContact O-CG2 3.44Å; S490-V493 PolarHBondContact O-N 3.49Å; S490-V493 PolarHBondContact OG-N 3Å; V493-L495 VanDerWaalsContact C-N 3.34Å; V493-L495 PolarHBondContact O-N 2.69Å; V493-L496 PolarHBondContact O-N 2.66Å; V493-L496 VanDerWaalsContact O-N 3.14Å; V493-S497 PolarHBondContact O-N 2.8Å; V493-S497 PolarHBondContact O-OG 3.42Å; V493-Y550 HydrophobicContact CG2-CE1 4.31Å; V493-Y550 HydrophobicContact CG2-CE2 4.11Å; V493-F552 HydrophobicContact CG1-CZ 4.4Å
494	Q	98.4	Very high	97.4	Very high	42 Å²	42	36.8 Å²	36.8	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-44.4	173.7	-168.7	-177.1	7.2	0	0	112.1	S490 G491 L496 S497 E498 V501 H505	S490-Q494 PolarHBondContact O-N 3.31Å; G491-Q494 PolarHBondContact O-N 3.04Å; Q494-L496 VanDerWaalsContact C-N 3.26Å; Q494-L496 PolarHBondContact O-N 3.12Å; Q494-S497 PolarHBondContact O-N 2.95Å; Q494-E498 HydrophobicContact CG-CB 4.22Å; Q494-E498 HydrophobicContact CG-CG 4.08Å; Q494-E498 WeakPolarHBondContact CG-OE2 3.38Å; Q494-E498 PolarHBondContact NE2-OE2 2.83Å; Q494-E498 WeakPolarHBondContact O-CA 3.13Å; Q494-E498 WeakPolarHBondContact O-CB 3.43Å; Q494-E498 PolarHBondContact O-N 2.92Å; Q494-V501 HydrophobicContact CB-CG2 4.29Å; Q494-H505 PolarHBondContact OE1-CD2 3.46Å; Q494-H505 PolarHBondContact OE1-NE2 3.18Å
495	L	98.6	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.5	-40.9	176.9	-176	58.5	0	0	0	111.8	M458 L462 G491 V492 V493 A499 V501 L521	M458-L495 HydrophobicContact CB-CD2 4.23Å; M458-L495 HydrophobicContact CG-CD2 3.85Å; L462-L495 HydrophobicContact CD1-CD2 3.95Å; L462-L495 HydrophobicContact CD1-CG 4.01Å; G491-L495 WeakPolarHBondContact O-CB 3.45Å; G491-L495 PolarHBondContact O-N 2.91Å; V492-L495 WeakPolarHBondContact O-CB 3.49Å; V492-L495 PolarHBondContact O-N 3.5Å; V493-L495 VanDerWaalsContact C-N 3.34Å; V493-L495 PolarHBondContact O-N 2.69Å; L495-A499 CarbonylContact O-C 3.44Å; L495-A499 WeakPolarHBondContact O-CA 3.37Å; L495-A499 PolarHBondContact O-N 3.12Å; L495-A499 VanDerWaalsContact O-N 3.12Å; L495-V501 HydrophobicContact CB-CG2 3.56Å; L495-V501 HydrophobicContact CD1-CG2 4.2Å; L495-V501 HydrophobicContact CG-CG2 4.41Å; L495-L521 HydrophobicContact CD1-CG 4.13Å; L495-L521 WeakPolarHBondContact CD1-O 3.43Å; L495-L521 HydrophobicContact CD2-CD2 3.57Å; L495-L521 HydrophobicContact CD2-CG 3.98Å
496	L	98.6	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-74.3	-44.6	-179.6	-69.2	164.7	0	0	0	111.7	M458 L462 F480 L484 V492 V493 Q494 L528 F552	M458-L496 HydrophobicContact CE-CD1 3.94Å; M458-L496 HydrophobicContact CE-CD2 4.48Å; M458-L496 HydrophobicContact CG-CD2 4.4Å; M458-L496 HydrophobicContact CG-CG 4.4Å; M458-L496 HydrophobicContact SD-CD1 4.24Å; M458-L496 HydrophobicContact SD-CD2 3.78Å; M458-L496 HydrophobicContact SD-CG 4.23Å; L462-L496 HydrophobicContact CD1-CD2 4.25Å; L462-L496 HydrophobicContact CD2-CD2 3.87Å; F480-L496 HydrophobicContact CD1-CD2 4.43Å; L484-L496 HydrophobicContact CD1-CD1 3.69Å; V492-L496 HydrophobicContact CG1-CD1 4.32Å; V492-L496 WeakPolarHBondContact O-CG 3.44Å; V492-L496 PolarHBondContact O-N 3.47Å; V493-L496 PolarHBondContact O-N 2.66Å; V493-L496 VanDerWaalsContact O-N 3.14Å; Q494-L496 VanDerWaalsContact C-N 3.26Å; Q494-L496 PolarHBondContact O-N 3.12Å; L496-L528 HydrophobicContact CD2-CD1 3.85Å; L496-L528 WeakPolarHBondContact O-CB 3.31Å; L496-L528 PolarHBondContact O-N 3.47Å; L496-F552 HydrophobicContact CB-CD1 4.22Å; L496-F552 HydrophobicContact CB-CE1 3.88Å; L496-F552 HydrophobicContact CB-CE2 4.36Å; L496-F552 HydrophobicContact CB-CZ 3.96Å; L496-F552 HydrophobicContact CD1-CD2 3.78Å; L496-F552 HydrophobicContact CD1-CE1 4.49Å; L496-F552 HydrophobicContact CD1-CE2 3.47Å; L496-F552 VanDerWaalsContact CD1-CE2 3.47Å; L496-F552 HydrophobicContact CD1-CG 4.42Å; L496-F552 HydrophobicContact CD1-CZ 3.86Å; L496-F552 HydrophobicContact CG-CE2 4.5Å
497	S	98.1	Very high	96.9	Very high	45 Å²	45	41.6 Å²	41.6	32%	0.315	24%	0.242	S	C	.	.	H	α-helix	trans	-86.3	-24.1	-173.6	62.7	0	0	0	0	114.8	V493 Q494 P527 L528	V493-S497 PolarHBondContact O-N 2.8Å; V493-S497 PolarHBondContact O-OG 3.42Å; Q494-S497 PolarHBondContact O-N 2.95Å; S497-P527 VanDerWaalsContact O-CB 3.31Å; S497-P527 WeakPolarHBondContact O-CB 3.21Å; S497-L528 WeakPolarHBondContact CA-O 3.26Å
498	E	98.1	Very high	96.8	Very high	118 Å²	118	39.4 Å²	39.4	55%	0.551	23%	0.228	S	C	*	.	H	α-helix	trans	-115	-2.7	-178.9	-58.6	-177.4	-172.8	0	0	112.4	Q494 A500	Q494-E498 HydrophobicContact CG-CB 4.22Å; Q494-E498 HydrophobicContact CG-CG 4.08Å; Q494-E498 WeakPolarHBondContact CG-OE2 3.38Å; Q494-E498 PolarHBondContact NE2-OE2 2.83Å; Q494-E498 WeakPolarHBondContact O-CA 3.13Å; Q494-E498 WeakPolarHBondContact O-CB 3.43Å; Q494-E498 PolarHBondContact O-N 2.92Å; E498-A500 PolarHBondContact O-N 3.21Å; E498-A500 VanDerWaalsContact O-N 3.12Å
499	A	97.9	Very high	96.5	Very high	19 Å²	19	40.5 Å²	40.5	16%	0.157	24%	0.237	C	C	.	.	S	Bend	trans	61.4	8.6	-176.5	0	0	0	0	0	115.1	L495 S522 S523 F525 P527	L495-A499 CarbonylContact O-C 3.44Å; L495-A499 WeakPolarHBondContact O-CA 3.37Å; L495-A499 PolarHBondContact O-N 3.12Å; L495-A499 VanDerWaalsContact O-N 3.12Å; A499-S522 WeakPolarHBondContact O-CA 3.5Å; A499-S523 PolarHBondContact O-N 2.82Å; A499-F525 WeakPolarHBondContact CB-O 3.38Å; A499-P527 HydrophobicContact CB-CG 4.15Å
500	A	97.9	Very high	96.3	Very high	41 Å²	41	35.6 Å²	35.6	34%	0.339	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	151.2	177.6	0	0	0	0	0	112.4	E498 L521	E498-A500 PolarHBondContact O-N 3.21Å; E498-A500 VanDerWaalsContact O-N 3.12Å; A500-L521 CarbonylContact C-O 3.52Å; A500-L521 WeakPolarHBondContact CA-O 3.2Å
501	V	97.3	Very high	95.8	Very high	3 Å²	3	36 Å²	36	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.8	170.6	176.8	0	0	0	0	108.7	L455 G491 Q494 L495 H505 A520 L521	L455-V501 HydrophobicContact CD1-CG1 4.46Å; L455-V501 HydrophobicContact CD2-CG1 4.38Å; L455-V501 HydrophobicContact CD2-CG2 3.98Å; G491-V501 WeakPolarHBondContact O-CG2 3.48Å; Q494-V501 HydrophobicContact CB-CG2 4.29Å; L495-V501 HydrophobicContact CB-CG2 3.56Å; L495-V501 HydrophobicContact CD1-CG2 4.2Å; L495-V501 HydrophobicContact CG-CG2 4.41Å; V501-H505 HydrophobicContact CG1-CB 3.53Å; V501-A520 WeakPolarHBondContact O-CA 3.41Å; V501-L521 PolarHBondContact N-O 3.12Å; V501-L521 PolarHBondContact O-N 3.38Å; V501-L521 VanDerWaalsContact O-N 3.1Å
502	P	96.3	Very high	95.3	Very high	52 Å²	52	37.5 Å²	37.5	34%	0.338	23%	0.231	S	C	.	.			trans	-72.3	156.3	-179.8	29.9	-34.8	0	0	0	112	Q504 H505 W508	P502-Q504 PolarHBondContact O-N 2.98Å; P502-Q504 VanDerWaalsContact O-N 3.15Å; P502-H505 HydrophobicContact CG-CB 4.33Å; P502-H505 WeakPolarHBondContact O-CB 3.49Å; P502-H505 PolarHBondContact O-N 3.35Å; P502-H505 VanDerWaalsContact O-N 3.14Å; P502-W508 PolarHBondContact O-NE1 3.39Å
503	P	94.4	Very high	94.8	Very high	39 Å²	39	43.3 Å²	43.3	25%	0.253	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.8	180	20.4	-24.7	0	0	0	113.9	M519 A520	P503-M519 WeakPolarHBondContact CA-O 3.48Å; P503-A520 HydrophobicContact CG-CB 4.37Å
504	Q	93.6	Very high	94.2	Very high	158 Å²	158	50.4 Å²	50.4	74%	0.738	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	6.2	178	-56.5	81.1	12.1	0	0	113.7	P502 A506	P502-Q504 PolarHBondContact O-N 2.98Å; P502-Q504 VanDerWaalsContact O-N 3.15Å; Q504-A506 PolarHBondContact O-N 3.01Å
505	H	95.5	Very high	93.7	Very high	32 Å²	32	50.2 Å²	50.2	15%	0.148	30%	0.301	C	S	.	.			trans	-61.3	137.6	-180	-168	-81.8	0	0	0	111.5	G491 Q494 V501 P502 D507 W508	G491-H505 WeakPolarHBondContact CA-CE1 3.38Å; G491-H505 PolarHBondContact N-CE1 3.28Å; Q494-H505 PolarHBondContact OE1-CD2 3.46Å; Q494-H505 PolarHBondContact OE1-NE2 3.18Å; V501-H505 HydrophobicContact CG1-CB 3.53Å; P502-H505 HydrophobicContact CG-CB 4.33Å; P502-H505 WeakPolarHBondContact O-CB 3.49Å; P502-H505 PolarHBondContact O-N 3.35Å; P502-H505 VanDerWaalsContact O-N 3.14Å; H505-D507 VanDerWaalsContact C-N 3.26Å; H505-D507 IonicContact CE1-OD1 3.46Å; H505-D507 IonicContact CE1-OD2 2.79Å; H505-D507 WeakPolarHBondContact ND1-CB 3.38Å; H505-D507 PolarHBondContact ND1-N 3.01Å; H505-D507 VanDerWaalsContact ND1-N 3.14Å; H505-D507 IonicContact ND1-OD1 3.83Å; H505-D507 PolarHBondContact O-N 2.94Å; H505-W508 PolarHBondContact O-N 3Å; H505-W508 VanDerWaalsContact O-N 3.09Å
506	A	94.3	Very high	93.3	Very high	68 Å²	68	52.1 Å²	52.1	56%	0.562	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-58.1	-36.9	-173.5	0	0	0	0	0	113	Q504 W508 S509 S510	Q504-A506 PolarHBondContact O-N 3.01Å; A506-W508 PolarHBondContact O-N 3.39Å; A506-W508 VanDerWaalsContact O-N 3.12Å; A506-S509 PolarHBondContact O-N 3.12Å; A506-S509 PolarHBondContact O-OG 3.38Å; A506-S510 PolarHBondContact O-N 3.49Å
507	D	94.9	Very high	92.7	Very high	28 Å²	28	52.8 Å²	52.8	15%	0.15	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-56.5	-27.6	178.3	-75.9	10.2	0	0	0	113.8	N452 L455 G491 H505 S509 S510	N452-D507 WeakPolarHBondContact CA-O 3.49Å; N452-D507 WeakPolarHBondContact CB-O 3.44Å; N452-D507 PolarHBondContact N-O 3.47Å; L455-D507 HydrophobicContact CD1-CB 3.71Å; G491-D507 PolarHBondContact N-OD2 2.79Å; H505-D507 VanDerWaalsContact C-N 3.26Å; H505-D507 IonicContact CE1-OD1 3.46Å; H505-D507 IonicContact CE1-OD2 2.79Å; H505-D507 WeakPolarHBondContact ND1-CB 3.38Å; H505-D507 PolarHBondContact ND1-N 3.01Å; H505-D507 VanDerWaalsContact ND1-N 3.14Å; H505-D507 IonicContact ND1-OD1 3.83Å; H505-D507 PolarHBondContact O-N 2.94Å; D507-S509 PolarHBondContact O-N 3.05Å; D507-S510 VanDerWaalsContact O-CB 3.27Å; D507-S510 WeakPolarHBondContact O-CB 3.35Å; D507-S510 PolarHBondContact O-N 2.9Å; D507-S510 VanDerWaalsContact O-N 3.11Å; D507-S510 PolarHBondContact O-OG 2.9Å; D507-S510 VanDerWaalsContact O-OG 3.11Å
508	W	94.7	Very high	92.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.008	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-66.3	-19	176.6	-66.9	127.5	0	0	0	113.8	N452 L455 V456 P502 H505 A506 S516 C517 M519 L521	N452-W508 HydrophobicContact CB-CE3 4.05Å; L455-W508 HydrophobicContact CB-CE3 4.33Å; L455-W508 HydrophobicContact CB-CH2 3.58Å; L455-W508 HydrophobicContact CB-CZ2 4.18Å; L455-W508 HydrophobicContact CB-CZ3 3.67Å; L455-W508 HydrophobicContact CD1-CD2 3.74Å; L455-W508 HydrophobicContact CD1-CE3 3.84Å; L455-W508 HydrophobicContact CD1-CG 4.41Å; L455-W508 HydrophobicContact CD1-CH2 3.98Å; L455-W508 HydrophobicContact CD1-CZ2 3.83Å; L455-W508 HydrophobicContact CD1-CZ3 3.97Å; L455-W508 HydrophobicContact CG-CH2 4.32Å; L455-W508 HydrophobicContact CG-CZ2 4.46Å; L455-W508 HydrophobicContact CG-CZ3 4.47Å; V456-W508 HydrophobicContact CG2-CH2 4.49Å; V456-W508 HydrophobicContact CG2-CZ3 4.09Å; P502-W508 PolarHBondContact O-NE1 3.39Å; H505-W508 PolarHBondContact O-N 3Å; H505-W508 VanDerWaalsContact O-N 3.09Å; A506-W508 PolarHBondContact O-N 3.39Å; A506-W508 VanDerWaalsContact O-N 3.12Å; W508-S516 WeakPolarHBondContact O-CA 3.43Å; W508-C517 WeakPolarHBondContact CB-O 3.29Å; W508-C517 PolarHBondContact O-N 3.14Å; W508-C517 VanDerWaalsContact O-N 3.13Å; W508-M519 HydrophobicContact CD2-CG 4.18Å; W508-M519 HydrophobicContact CE3-CG 4.21Å; W508-M519 HydrophobicContact CH2-CG 3.36Å; W508-M519 HydrophobicContact CH2-SD 3.59Å; W508-M519 VanDerWaalsContact CH2-SD 3.59Å; W508-M519 HydrophobicContact CZ2-CG 3.35Å; W508-M519 WeakPolarHBondContact CZ2-O 3.5Å; W508-M519 HydrophobicContact CZ2-SD 4.18Å; W508-M519 HydrophobicContact CZ3-CE 4.41Å; W508-M519 HydrophobicContact CZ3-CG 3.82Å; W508-M519 HydrophobicContact CZ3-SD 3.94Å; W508-M519 PolarHBondContact NE1-O 2.93Å; W508-L521 HydrophobicContact CH2-CB 4.44Å; W508-L521 HydrophobicContact CH2-CD2 4.15Å; W508-L521 HydrophobicContact CZ2-CB 3.96Å; W508-L521 HydrophobicContact CZ2-CD2 4.36Å
509	S	92.3	Very high	91.8	Very high	63 Å²	63	50.7 Å²	50.7	44%	0.441	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-107.3	11.1	176	64.8	0	0	0	0	113.5	A506 D507 S511 G512 S516	A506-S509 PolarHBondContact O-N 3.12Å; A506-S509 PolarHBondContact O-OG 3.38Å; D507-S509 PolarHBondContact O-N 3.05Å; S509-S511 PolarHBondContact O-N 3.21Å; S509-G512 PolarHBondContact O-N 3.48Å; S509-S516 WeakPolarHBondContact CB-OG 3.44Å
510	S	90.1	Very high	91.5	Very high	29 Å²	29	52.3 Å²	52.3	20%	0.203	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.8	-171.7	67.1	0	0	0	0	114.5	K448 E449 G450 G451 N452 A506 D507	K448-S510 WeakPolarHBondContact O-CB 3.27Å; K448-S510 VanDerWaalsContact O-O 3.06Å; E449-S510 WeakPolarHBondContact CA-O 3.3Å; G450-S510 PolarHBondContact N-OG 3.13Å; G451-S510 PolarHBondContact N-OG 3.41Å; N452-S510 PolarHBondContact N-OG 3.49Å; N452-S510 PolarHBondContact OD1-OG 3.46Å; A506-S510 PolarHBondContact O-N 3.49Å; D507-S510 VanDerWaalsContact O-CB 3.27Å; D507-S510 WeakPolarHBondContact O-CB 3.35Å; D507-S510 PolarHBondContact O-N 2.9Å; D507-S510 VanDerWaalsContact O-N 3.11Å; D507-S510 PolarHBondContact O-OG 2.9Å; D507-S510 VanDerWaalsContact O-OG 3.11Å
511	S	86.5	Confident	91.4	Very high	15 Å²	15	51 Å²	51	11%	0.105	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	16.7	-172	-55.3	0	0	0	0	113.6	R413 E449 N452 S509 E515	R413-S511 VanDerWaalsContact NH1-CB 3.35Å; R413-S511 PolarHBondContact NH1-OG 3.37Å; E449-S511 VanDerWaalsContact C-OG 3.24Å; E449-S511 WeakPolarHBondContact CA-OG 3.44Å; N452-S511 PolarHBondContact ND2-OG 2.87Å; N452-S511 PolarHBondContact OD1-OG 2.57Å; S509-S511 PolarHBondContact O-N 3.21Å; S511-E515 WeakPolarHBondContact CB-OE2 2.92Å
512	G	87.1	Confident	91.4	Very high	31 Å²	31	55.1 Å²	55.1	32%	0.32	34%	0.344	S	S	.	.			trans	87	178.5	-177.3	0	0	0	0	0	113.4	S509 E514 S516	S509-G512 PolarHBondContact O-N 3.48Å; G512-E514 PolarHBondContact O-N 3.18Å; G512-S516 PolarHBondContact O-N 2.93Å
513	P	86.9	Confident	91.4	Very high	122 Å²	122	53.5 Å²	53.5	79%	0.792	33%	0.334	S	S	*	.	S	Bend	trans	-68.9	-33.3	-167.6	25.5	-34	0	0	0	114.2	S516	P513-S516 PolarHBondContact O-N 3Å
514	E	87.8	Confident	91.5	Very high	151 Å²	151	54.8 Å²	54.8	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-39	-178	-63	179.7	179	0	0	111.5	N407 G512	N407-E514 PolarHBondContact ND2-O 3.22Å; N407-E514 PolarHBondContact OD1-O 3.49Å; G512-E514 PolarHBondContact O-N 3.18Å
515	E	87.7	Confident	91.7	Very high	39 Å²	39	47.9 Å²	47.9	18%	0.182	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	8.5	179.6	-61.6	-176.6	-167.6	0	0	113.2	D409 L410 R413 N452 S511	D409-E515 HydrophobicContact CB-CG 4.16Å; L410-E515 HydrophobicContact CB-CB 4.36Å; R413-E515 WeakPolarHBondContact CD-OE1 3.21Å; R413-E515 WeakPolarHBondContact CD-OE2 3.31Å; R413-E515 IonicContact CZ-OE2 2.97Å; R413-E515 IonicContact NE-OE2 3.27Å; R413-E515 IonicContact NH1-OE1 3.84Å; R413-E515 PolarHBondContact NH1-OE1 3.5Å; R413-E515 IonicContact NH1-OE2 2.81Å; R413-E515 PolarHBondContact NH1-OE2 2.68Å; N452-E515 PolarHBondContact ND2-O 3.36Å; S511-E515 WeakPolarHBondContact CB-OE2 2.92Å
516	S	88.6	Confident	91.7	Very high	39 Å²	39	49 Å²	49	27%	0.273	32%	0.319	S	S	.	.			trans	-73	136.6	179.2	-167.4	0	0	0	0	110.4	N407 W508 S509 G512 P513	N407-S516 PolarHBondContact ND2-O 2.78Å; W508-S516 WeakPolarHBondContact O-CA 3.43Å; S509-S516 WeakPolarHBondContact CB-OG 3.44Å; G512-S516 PolarHBondContact O-N 2.93Å; P513-S516 PolarHBondContact O-N 3Å
517	C	87.2	Confident	91.9	Very high	14 Å²	14	48.7 Å²	48.7	10%	0.095	31%	0.312	C	S	.	.			trans	-127	167.8	168.6	62.4	0	0	0	0	110.3	L410 W508 M519	L410-C517 HydrophobicContact CD2-CB 4.12Å; L410-C517 VanDerWaalsContact CD2-SG 3.55Å; W508-C517 WeakPolarHBondContact CB-O 3.29Å; W508-C517 PolarHBondContact O-N 3.14Å; W508-C517 VanDerWaalsContact O-N 3.13Å; C517-M519 HydrophobicContact CB-CE 4.04Å
518	C	87.3	Confident	92.1	Very high	107 Å²	107	47.7 Å²	47.7	72%	0.723	31%	0.306	S	S	*	.			trans	-133.6	85.2	175.8	-68.3	0	0	0	0	107.1
519	M	89.4	Confident	92.3	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.059	33%	0.325	C	S	.	.			trans	-128.8	133	-177.5	70	174.8	76.9	0	0	111.6	L400 L404 P503 W508 C517	L400-M519 HydrophobicContact CD1-SD 4.1Å; L404-M519 HydrophobicContact CB-CE 4.47Å; L404-M519 HydrophobicContact CD1-CE 4.34Å; P503-M519 WeakPolarHBondContact CA-O 3.48Å; W508-M519 HydrophobicContact CD2-CG 4.18Å; W508-M519 HydrophobicContact CE3-CG 4.21Å; W508-M519 HydrophobicContact CH2-CG 3.36Å; W508-M519 HydrophobicContact CH2-SD 3.59Å; W508-M519 VanDerWaalsContact CH2-SD 3.59Å; W508-M519 HydrophobicContact CZ2-CG 3.35Å; W508-M519 WeakPolarHBondContact CZ2-O 3.5Å; W508-M519 HydrophobicContact CZ2-SD 4.18Å; W508-M519 HydrophobicContact CZ3-CE 4.41Å; W508-M519 HydrophobicContact CZ3-CG 3.82Å; W508-M519 HydrophobicContact CZ3-SD 3.94Å; W508-M519 PolarHBondContact NE1-O 2.93Å; C517-M519 HydrophobicContact CB-CE 4.04Å
520	A	92.8	Very high	92.6	Very high	53 Å²	53	49.6 Å²	49.6	44%	0.438	31%	0.31	S	S	.	.			trans	-73.8	133.4	166.4	0	0	0	0	0	108.1	V501 P503	V501-A520 WeakPolarHBondContact O-CA 3.41Å; P503-A520 HydrophobicContact CG-CB 4.37Å
521	L	95.8	Very high	93	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.2	176.2	-173.9	60.8	0	0	0	108.8	L400 L455 L495 A500 V501 W508	L400-L521 HydrophobicContact CD1-CD1 4.15Å; L455-L521 WeakPolarHBondContact O-CD2 3.27Å; L495-L521 HydrophobicContact CD1-CG 4.13Å; L495-L521 WeakPolarHBondContact CD1-O 3.43Å; L495-L521 HydrophobicContact CD2-CD2 3.57Å; L495-L521 HydrophobicContact CD2-CG 3.98Å; A500-L521 CarbonylContact C-O 3.52Å; A500-L521 WeakPolarHBondContact CA-O 3.2Å; V501-L521 PolarHBondContact N-O 3.12Å; V501-L521 PolarHBondContact O-N 3.38Å; V501-L521 VanDerWaalsContact O-N 3.1Å; W508-L521 HydrophobicContact CH2-CB 4.44Å; W508-L521 HydrophobicContact CH2-CD2 4.15Å; W508-L521 HydrophobicContact CZ2-CB 3.96Å; W508-L521 HydrophobicContact CZ2-CD2 4.36Å
522	S	96.6	Very high	93.6	Very high	89 Å²	89	48.4 Å²	48.4	62%	0.622	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.9	178.1	-57.6	0	0	0	0	109.7	A499	A499-S522 WeakPolarHBondContact O-CA 3.5Å
523	S	96.4	Very high	94.1	Very high	18 Å²	18	48.5 Å²	48.5	13%	0.126	30%	0.302	C	S	.	.			trans	-74	143.3	172.8	177.7	0	0	0	0	110.2	A499 F525	A499-S523 PolarHBondContact O-N 2.82Å; S523-F525 WeakPolarHBondContact CB-O 3.46Å; S523-F525 PolarHBondContact OG-N 3.49Å; S523-F525 PolarHBondContact OG-O 3.5Å
524	T	96.1	Very high	94.6	Very high	66 Å²	66	48.8 Å²	48.8	41%	0.405	29%	0.293	S	S	.	.	S	Bend	trans	-74.6	-15.1	167.1	45.9	0	0	0	0	112.5	L462 Q463 S466	L462-T524 VanDerWaalsContact C-OG1 3.26Å; L462-T524 PolarHBondContact O-OG1 3.09Å; Q463-T524 HydrophobicContact CG-CG2 3.97Å; S466-T524 WeakPolarHBondContact CB-OG1 3.29Å
525	F	97.6	Very high	95.1	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.057	27%	0.268	C	S	.	.	S	Bend	trans	-99.8	148.9	174.7	-66.7	-92.5	0	0	0	111.2	L462 L465 I469 L478 A499 S523 L528	L462-F525 HydrophobicContact CB-CD2 4.35Å; L462-F525 HydrophobicContact CD2-CD2 3.79Å; L462-F525 HydrophobicContact CD2-CE2 4.21Å; L462-F525 WeakPolarHBondContact O-CE2 3.35Å; L465-F525 HydrophobicContact CB-CE2 3.83Å; L465-F525 HydrophobicContact CB-CZ 3.84Å; I469-F525 HydrophobicContact CD1-CE1 3.75Å; I469-F525 HydrophobicContact CD1-CZ 3.83Å; L478-F525 HydrophobicContact CB-CE1 4.15Å; L478-F525 HydrophobicContact CD2-CD1 4.18Å; L478-F525 HydrophobicContact CD2-CD2 4.43Å; L478-F525 HydrophobicContact CD2-CE1 3.86Å; L478-F525 HydrophobicContact CD2-CE2 4.12Å; L478-F525 HydrophobicContact CD2-CG 4.45Å; L478-F525 HydrophobicContact CD2-CZ 3.84Å; A499-F525 WeakPolarHBondContact CB-O 3.38Å; S523-F525 WeakPolarHBondContact CB-O 3.46Å; S523-F525 PolarHBondContact OG-N 3.49Å; S523-F525 PolarHBondContact OG-O 3.5Å; F525-L528 HydrophobicContact CB-CD2 4.19Å; F525-L528 HydrophobicContact CB-CG 4.46Å
526	P	96.9	Very high	95.6	Very high	57 Å²	57	45.2 Å²	45.2	37%	0.37	29%	0.294	S	S	.	.			trans	-60.5	166.7	164.1	29.9	-35.7	0	0	0	110.9	L528	P526-L528 PolarHBondContact O-N 3.2Å; P526-L528 VanDerWaalsContact O-N 3.13Å
527	P	98.3	Very high	96.1	Very high	61 Å²	61	44.5 Å²	44.5	40%	0.396	29%	0.285	S	S	.	.			trans	-41.3	118.2	174.2	-37.5	41.7	0	0	0	113.7	S497 A499 P555	S497-P527 VanDerWaalsContact O-CB 3.31Å; S497-P527 WeakPolarHBondContact O-CB 3.21Å; A499-P527 HydrophobicContact CB-CG 4.15Å; P527-P555 WeakPolarHBondContact O-CD 3.39Å
528	L	98.4	Very high	96.6	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	28%	0.281	C	S	.	.			trans	-90.7	149.7	176.3	-57.8	-178.8	0	0	0	110.4	L478 L496 S497 F525 P526 F552 I553 Q554	L478-L528 HydrophobicContact CD2-CD1 4.16Å; L496-L528 HydrophobicContact CD2-CD1 3.85Å; L496-L528 WeakPolarHBondContact O-CB 3.31Å; L496-L528 PolarHBondContact O-N 3.47Å; S497-L528 WeakPolarHBondContact CA-O 3.26Å; F525-L528 HydrophobicContact CB-CD2 4.19Å; F525-L528 HydrophobicContact CB-CG 4.46Å; P526-L528 PolarHBondContact O-N 3.2Å; P526-L528 VanDerWaalsContact O-N 3.13Å; L528-F552 HydrophobicContact CB-CB 4.29Å; L528-F552 HydrophobicContact CB-CD1 3.84Å; L528-F552 HydrophobicContact CB-CG 4.45Å; L528-F552 HydrophobicContact CD1-CB 4.29Å; L528-I553 WeakPolarHBondContact CA-O 3.47Å; L528-Q554 HydrophobicContact CD2-CB 4.38Å; L528-Q554 HydrophobicContact CD2-CG 3.46Å; L528-Q554 VanDerWaalsContact CD2-CG 3.46Å
529	Q	98.4	Very high	97.2	Very high	87 Å²	87	39.2 Å²	39.2	41%	0.407	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.5	177.5	178.6	-179.1	-10.6	0	0	110.2	A531 F552 I553 P555	Q529-A531 PolarHBondContact O-N 3.39Å; Q529-F552 CarbonylContact O-C 3.38Å; Q529-F552 VanDerWaalsContact O-CA 3.32Å; Q529-F552 WeakPolarHBondContact O-CA 3.32Å; Q529-I553 HydrophobicContact CB-CG1 4.17Å; Q529-I553 PolarHBondContact N-O 2.91Å; Q529-I553 PolarHBondContact O-N 2.91Å; Q529-P555 HydrophobicContact CB-CB 4.24Å; Q529-P555 HydrophobicContact CB-CG 4.32Å
530	S	98.6	Very high	97.6	Very high	18 Å²	18	40.2 Å²	40.2	13%	0.126	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	111.9	164.1	177.4	0	0	0	0	109.4	C532 G533	S530-C532 VanDerWaalsContact C-N 3.32Å; S530-C532 PolarHBondContact O-N 3.31Å; S530-G533 WeakPolarHBondContact CB-O 3.46Å; S530-G533 PolarHBondContact O-N 2.98Å; S530-G533 PolarHBondContact OG-O 3.02Å
531	A	98.6	Very high	97.9	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.041	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-36.2	-174.9	0	0	0	0	0	112.9	Q529 G533 I551 I553 V560 V563 L594	Q529-A531 PolarHBondContact O-N 3.39Å; A531-G533 VanDerWaalsContact C-N 3.29Å; A531-I551 HydrophobicContact CB-CB 4.27Å; A531-I551 HydrophobicContact CB-CG2 4.17Å; A531-I551 WeakPolarHBondContact CB-O 3.44Å; A531-I551 PolarHBondContact N-O 3.18Å; A531-I553 HydrophobicContact CB-CD1 4.28Å; A531-I553 HydrophobicContact CB-CG1 4.48Å; A531-I553 HydrophobicContact CB-CG2 4.27Å; A531-V560 HydrophobicContact CB-CG2 3.79Å; A531-V563 VanDerWaalsContact O-CG2 3.29Å; A531-V563 WeakPolarHBondContact O-CG2 3.46Å; A531-L594 HydrophobicContact CB-CD2 3.99Å
532	C	98.6	Very high	97.6	Very high	14 Å²	14	41.1 Å²	41.1	10%	0.095	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	8.2	176.6	-64.2	0	0	0	0	113.1	S530 V563 L590	S530-C532 VanDerWaalsContact C-N 3.32Å; S530-C532 PolarHBondContact O-N 3.31Å; C532-V563 HydrophobicContact CB-CG1 4.11Å; C532-L590 HydrophobicContact CB-CD1 4.19Å; C532-L590 HydrophobicContact CB-CD2 4.07Å
533	G	98.1	Very high	97.3	Very high	32 Å²	32	40.8 Å²	40.8	33%	0.33	28%	0.276	S	S	.	.			trans	69.6	-143.4	-176.7	0	0	0	0	0	112.8	S530 A531	S530-G533 WeakPolarHBondContact CB-O 3.46Å; S530-G533 PolarHBondContact O-N 2.98Å; S530-G533 PolarHBondContact OG-O 3.02Å; A531-G533 VanDerWaalsContact C-N 3.29Å
534	Q	98	Very high	97.3	Very high	129 Å²	129	44 Å²	44	60%	0.603	29%	0.288	S	S	*	.			trans	-125.9	79.6	179	-64.3	172.2	-8.5	0	0	108.5	P488	P488-Q534 HydrophobicContact CB-CB 4.38Å; P488-Q534 HydrophobicContact CB-CG 4.02Å; P488-Q534 HydrophobicContact CG-CB 4.03Å; P488-Q534 HydrophobicContact CG-CG 4.09Å
535	P	98.2	Very high	97.3	Very high	27 Å²	27	46 Å²	46	18%	0.175	29%	0.292	C	S	.	.			trans	-54.8	158.6	176.7	-25.2	34.3	0	0	0	112.1	Y537 T538 C547 L566 L590	P535-Y537 PolarHBondContact O-N 3.34Å; P535-T538 HydrophobicContact CB-CG2 4.3Å; P535-T538 HydrophobicContact CG-CG2 4.16Å; P535-C547 VanDerWaalsContact O-CB 3.3Å; P535-C547 WeakPolarHBondContact O-CB 3.38Å; P535-L566 HydrophobicContact CB-CD2 3.9Å; P535-L566 HydrophobicContact CG-CD1 4.4Å; P535-L566 HydrophobicContact CG-CD2 4.23Å; P535-L590 HydrophobicContact CG-CD2 4.43Å
536	A	98.1	Very high	97.3	Very high	87 Å²	87	45.7 Å²	45.7	72%	0.719	29%	0.293	S	S	*	.	S	Bend	trans	-57.2	-36.9	174.6	0	0	0	0	0	111.7
537	Y	98.7	Very high	97.4	Very high	25 Å²	25	43.1 Å²	43.1	10%	0.098	28%	0.276	C	S	.	.			trans	-159.2	153.7	173.6	47.7	-99.5	0	0	0	110.4	P535 Y540 H545 G546 L566 H569 V572 I588	P535-Y537 PolarHBondContact O-N 3.34Å; Y537-Y540 AromaticContact CD1-CD2 3.72Å; Y537-Y540 HydrophobicContact CD1-CD2 3.72Å; Y537-Y540 HydrophobicContact CD1-CE2 4.14Å; Y537-Y540 AromaticContact CD2-CD2 3.8Å; Y537-Y540 HydrophobicContact CD2-CD2 3.8Å; Y537-Y540 HydrophobicContact CD2-CG 4.31Å; Y537-Y540 AromaticContact CE1-CD2 3.77Å; Y537-Y540 HydrophobicContact CE1-CD2 3.77Å; Y537-Y540 AromaticContact CE1-CE2 3.92Å; Y537-Y540 HydrophobicContact CE1-CE2 3.92Å; Y537-Y540 AromaticContact CE2-CD2 3.86Å; Y537-Y540 HydrophobicContact CE2-CD2 3.86Å; Y537-Y540 HydrophobicContact CE2-CG 4.36Å; Y537-Y540 AromaticContact CG-CD2 3.74Å; Y537-Y540 HydrophobicContact CG-CD2 3.74Å; Y537-Y540 AromaticContact CZ-CD2 3.84Å; Y537-H545 HydrophobicContact CG-CB 4.46Å; Y537-G546 WeakPolarHBondContact CA-O 3.39Å; Y537-L566 WeakPolarHBondContact O-CD2 3.36Å; Y537-H569 AromaticContact CE1-ND1 3.77Å; Y537-H569 AromaticContact CZ-ND1 3.68Å; Y537-H569 WeakPolarHBondContact OH-CA 3.48Å; Y537-H569 PolarHBondContact OH-ND1 3.22Å; Y537-V572 HydrophobicContact CE2-CG1 4.1Å; Y537-V572 HydrophobicContact CE2-CG2 4.11Å; Y537-I588 HydrophobicContact CD2-CD1 4.03Å; Y537-I588 HydrophobicContact CE2-CD1 3.91Å
538	T	98.8	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-121.1	-23.2	166.9	60.9	0	0	0	0	110.6	P535 G546 L548 D549 H587 I588 L590	P535-T538 HydrophobicContact CB-CG2 4.3Å; P535-T538 HydrophobicContact CG-CG2 4.16Å; T538-G546 PolarHBondContact N-O 3.13Å; T538-L548 PolarHBondContact OG1-N 3.01Å; T538-D549 WeakPolarHBondContact CB-OD2 3.45Å; T538-D549 HydrophobicContact CG2-CB 4.21Å; T538-D549 PolarHBondContact OG1-N 3.24Å; T538-D549 PolarHBondContact OG1-OD2 3.24Å; T538-H587 CarbonylContact O-C 3.53Å; T538-H587 WeakPolarHBondContact O-CA 3.36Å; T538-I588 PolarHBondContact O-N 2.77Å; T538-L590 HydrophobicContact CG2-CD2 3.86Å; T538-L590 HydrophobicContact CG2-CG 4.4Å
539	N	98.8	Very high	97.5	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134	164.2	177.6	-82.8	0	0	0	110	F544 H545 G546 L548 D586 H587	N539-F544 WeakPolarHBondContact OD1-CD1 3.27Å; N539-H545 VanDerWaalsContact O-CA 3.23Å; N539-H545 WeakPolarHBondContact O-CA 3.11Å; N539-G546 PolarHBondContact N-O 2.95Å; N539-G546 PolarHBondContact O-N 3.19Å; N539-G546 VanDerWaalsContact O-N 3.09Å; N539-L548 HydrophobicContact CB-CD1 3.9Å; N539-L548 HydrophobicContact CB-CG 4.34Å; N539-D586 WeakPolarHBondContact CA-O 3.12Å; N539-H587 PolarHBondContact ND2-CD2 3.13Å; N539-H587 PolarHBondContact ND2-NE2 3.34Å
540	Y	98.6	Very high	97.5	Very high	33 Å²	33	36.4 Å²	36.4	13%	0.129	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	100.8	179.7	-166	-79.2	0	0	0	112.6	Y537 H545 H569 V572 T573 A577 L578 D586	Y537-Y540 AromaticContact CD1-CD2 3.72Å; Y537-Y540 HydrophobicContact CD1-CD2 3.72Å; Y537-Y540 HydrophobicContact CD1-CE2 4.14Å; Y537-Y540 AromaticContact CD2-CD2 3.8Å; Y537-Y540 HydrophobicContact CD2-CD2 3.8Å; Y537-Y540 HydrophobicContact CD2-CG 4.31Å; Y537-Y540 AromaticContact CE1-CD2 3.77Å; Y537-Y540 HydrophobicContact CE1-CD2 3.77Å; Y537-Y540 AromaticContact CE1-CE2 3.92Å; Y537-Y540 HydrophobicContact CE1-CE2 3.92Å; Y537-Y540 AromaticContact CE2-CD2 3.86Å; Y537-Y540 HydrophobicContact CE2-CD2 3.86Å; Y537-Y540 HydrophobicContact CE2-CG 4.36Å; Y537-Y540 AromaticContact CG-CD2 3.74Å; Y537-Y540 HydrophobicContact CG-CD2 3.74Å; Y537-Y540 AromaticContact CZ-CD2 3.84Å; Y540-H545 HydrophobicContact CD2-CB 3.4Å; Y540-H545 VanDerWaalsContact CD2-CB 3.4Å; Y540-H545 AromaticContact CD2-CG 3.97Å; Y540-H545 HydrophobicContact CE2-CB 3.86Å; Y540-H545 AromaticContact CE2-CD2 3.83Å; Y540-H545 AromaticContact CE2-CG 3.91Å; Y540-H545 HydrophobicContact CG-CB 4.06Å; Y540-H569 AromaticContact CE2-CE1 3.87Å; Y540-H569 AromaticContact CZ-CE1 3.9Å; Y540-H569 PolarHBondContact OH-CE1 2.8Å; Y540-V572 HydrophobicContact CD1-CG1 3.59Å; Y540-V572 HydrophobicContact CD2-CG1 4.18Å; Y540-V572 HydrophobicContact CE1-CG1 4.14Å; Y540-V572 HydrophobicContact CG-CG1 3.63Å; Y540-T573 HydrophobicContact CE1-CG2 3.97Å; Y540-A577 HydrophobicContact CD1-CB 3.74Å; Y540-A577 HydrophobicContact CE1-CB 3.82Å; Y540-L578 VanDerWaalsContact O-CB 3.29Å; Y540-L578 WeakPolarHBondContact O-CB 3.32Å; Y540-L578 PolarHBondContact O-N 3.02Å; Y540-D586 PolarHBondContact N-O 3.48Å
541	V	97.4	Very high	97.5	Very high	25 Å²	25	35.5 Å²	35.5	15%	0.152	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	168.2	178.3	-59.8	0	0	0	0	111.6	Y302 Y304 G543 F544 D586	Y302-V541 HydrophobicContact CD1-CG1 4.47Å; Y302-V541 HydrophobicContact CE1-CG1 3.87Å; Y304-V541 WeakPolarHBondContact OH-CA 3.36Å; V541-G543 PolarHBondContact O-N 3.22Å; V541-F544 CarbonylContact C-O 3.52Å; V541-F544 HydrophobicContact CG2-CB 3.89Å; V541-F544 VanDerWaalsContact CG2-O 3.22Å; V541-F544 WeakPolarHBondContact CG2-O 3.33Å; V541-F544 PolarHBondContact N-O 3.11Å; V541-F544 PolarHBondContact O-N 3.03Å; V541-D586 HydrophobicContact CG1-CB 3.55Å
542	G	90.4	Very high	97.5	Very high	61 Å²	61	35.5 Å²	35.5	63%	0.629	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.4	-172.2	0	0	0	0	0	116.5	Y304	Y304-G542 PolarHBondContact OH-N 3.38Å
543	G	91	Very high	97.5	Very high	82 Å²	82	34.9 Å²	34.9	85%	0.845	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-0.7	-179.7	0	0	0	0	0	115.4	V541	V541-G543 PolarHBondContact O-N 3.22Å
544	F	95.3	Very high	97.4	Very high	85 Å²	85	34.6 Å²	34.6	37%	0.373	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141.5	-177.1	173.7	-93.1	0	0	0	110.2	N539 V541 L548	N539-F544 WeakPolarHBondContact OD1-CD1 3.27Å; V541-F544 CarbonylContact C-O 3.52Å; V541-F544 HydrophobicContact CG2-CB 3.89Å; V541-F544 VanDerWaalsContact CG2-O 3.22Å; V541-F544 WeakPolarHBondContact CG2-O 3.33Å; V541-F544 PolarHBondContact N-O 3.11Å; V541-F544 PolarHBondContact O-N 3.03Å; F544-L548 HydrophobicContact CE1-CD1 3.84Å; F544-L548 HydrophobicContact CE1-CD2 4.49Å; F544-L548 HydrophobicContact CE1-CG 4.36Å; F544-L548 HydrophobicContact CZ-CD1 4.27Å; F544-L548 HydrophobicContact CZ-CD2 4.17Å
545	H	97.1	Very high	97.3	Very high	109 Å²	109	30.3 Å²	30.3	51%	0.505	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.1	166.5	54.8	70.6	0	0	0	109.5	Y537 N539 Y540	Y537-H545 HydrophobicContact CG-CB 4.46Å; N539-H545 VanDerWaalsContact O-CA 3.23Å; N539-H545 WeakPolarHBondContact O-CA 3.11Å; Y540-H545 HydrophobicContact CD2-CB 3.4Å; Y540-H545 VanDerWaalsContact CD2-CB 3.4Å; Y540-H545 AromaticContact CD2-CG 3.97Å; Y540-H545 HydrophobicContact CE2-CB 3.86Å; Y540-H545 AromaticContact CE2-CD2 3.83Å; Y540-H545 AromaticContact CE2-CG 3.91Å; Y540-H545 HydrophobicContact CG-CB 4.06Å
546	G	97.7	Very high	97.1	Very high	6 Å²	6	34.4 Å²	34.4	6%	0.062	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	159.3	-178.4	0	0	0	0	0	112.5	Y537 T538 N539 L548	Y537-G546 WeakPolarHBondContact CA-O 3.39Å; T538-G546 PolarHBondContact N-O 3.13Å; N539-G546 PolarHBondContact N-O 2.95Å; N539-G546 PolarHBondContact O-N 3.19Å; N539-G546 VanDerWaalsContact O-N 3.09Å; G546-L548 PolarHBondContact O-N 3Å
547	C	98.5	Very high	96.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.02	20%	0.197	C	C	.	.			trans	-81.6	105.1	171	178.9	0	0	0	0	108.3	S486 T487 P488 P535 Y550	S486-C547 VanDerWaalsContact O-O 3.08Å; T487-C547 WeakPolarHBondContact CA-O 3.4Å; P488-C547 HydrophobicContact CG-CB 4.03Å; P535-C547 VanDerWaalsContact O-CB 3.3Å; P535-C547 WeakPolarHBondContact O-CB 3.38Å; C547-Y550 PolarHBondContact O-OH 2.91Å
548	L	98.7	Very high	96.7	Very high	11 Å²	11	31 Å²	31	6%	0.058	19%	0.192	C	C	.	.			trans	-115.3	-23	-177.2	-57.3	-173.5	0	0	0	112.4	L484 T487 T538 N539 F544 G546 Y550	L484-L548 PolarHBondContact N-O 3.46Å; T487-L548 HydrophobicContact CG2-CD2 4.17Å; T538-L548 PolarHBondContact OG1-N 3.01Å; N539-L548 HydrophobicContact CB-CD1 3.9Å; N539-L548 HydrophobicContact CB-CG 4.34Å; F544-L548 HydrophobicContact CE1-CD1 3.84Å; F544-L548 HydrophobicContact CE1-CD2 4.49Å; F544-L548 HydrophobicContact CE1-CG 4.36Å; F544-L548 HydrophobicContact CZ-CD1 4.27Å; F544-L548 HydrophobicContact CZ-CD2 4.17Å; G546-L548 PolarHBondContact O-N 3Å; L548-Y550 WeakPolarHBondContact O-CD2 3.39Å; L548-Y550 VanDerWaalsContact O-CE2 3.31Å; L548-Y550 WeakPolarHBondContact O-CE2 3.07Å
549	D	98.9	Very high	96.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.4	-174.2	-52.4	-88.4	0	0	0	110.3	G482 T538 H587 L590	G482-D549 WeakPolarHBondContact O-CA 3.46Å; T538-D549 WeakPolarHBondContact CB-OD2 3.45Å; T538-D549 HydrophobicContact CG2-CB 4.21Å; T538-D549 PolarHBondContact OG1-N 3.24Å; T538-D549 PolarHBondContact OG1-OD2 3.24Å; D549-H587 IonicContact OD1-CE1 2.91Å; D549-H587 IonicContact OD1-ND1 3.81Å; D549-H587 PolarHBondContact OD1-ND1 3.08Å; D549-H587 IonicContact OD2-CE1 2.93Å; D549-H587 IonicContact OD2-CG 3.78Å; D549-H587 IonicContact OD2-ND1 2.71Å; D549-H587 PolarHBondContact OD2-ND1 3.26Å; D549-L590 HydrophobicContact CB-CD1 4Å; D549-L590 HydrophobicContact CB-CG 4.32Å; D549-L590 VanDerWaalsContact O-CD1 3.26Å; D549-L590 WeakPolarHBondContact O-CD1 3.4Å
550	Y	98.9	Very high	96.5	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.2	-179.4	-56.3	-92.6	0	0	0	111.9	C481 G482 L484 S486 P488 V493 C547 L548 F552	C481-Y550 WeakPolarHBondContact CA-O 3.31Å; G482-Y550 PolarHBondContact N-O 3.14Å; G482-Y550 VanDerWaalsContact N-O 3.16Å; G482-Y550 PolarHBondContact O-N 3Å; L484-Y550 HydrophobicContact CB-CD2 4.1Å; L484-Y550 HydrophobicContact CB-CE2 4.26Å; L484-Y550 HydrophobicContact CD1-CD2 3.55Å; L484-Y550 HydrophobicContact CD1-CE2 4.16Å; L484-Y550 HydrophobicContact CD1-CG 4.22Å; L484-Y550 HydrophobicContact CG-CD2 3.77Å; L484-Y550 HydrophobicContact CG-CE2 4.4Å; S486-Y550 VanDerWaalsContact O-CE2 3.23Å; S486-Y550 WeakPolarHBondContact O-CE2 3.39Å; S486-Y550 PolarHBondContact O-OH 3.45Å; P488-Y550 WeakPolarHBondContact CD-OH 2.95Å; V493-Y550 HydrophobicContact CG2-CE1 4.31Å; V493-Y550 HydrophobicContact CG2-CE2 4.11Å; C547-Y550 PolarHBondContact O-OH 2.91Å; L548-Y550 WeakPolarHBondContact O-CD2 3.39Å; L548-Y550 VanDerWaalsContact O-CE2 3.31Å; L548-Y550 WeakPolarHBondContact O-CE2 3.07Å; Y550-F552 AromaticContact CD1-CE2 3.87Å; Y550-F552 HydrophobicContact CD1-CE2 3.87Å; Y550-F552 HydrophobicContact CD1-CZ 4.02Å; Y550-F552 HydrophobicContact CD2-CE2 4.16Å; Y550-F552 HydrophobicContact CG-CD2 4.26Å; Y550-F552 AromaticContact CG-CE2 3.52Å; Y550-F552 HydrophobicContact CG-CE2 3.52Å; Y550-F552 HydrophobicContact CG-CZ 4.16Å
551	I	98.9	Very high	96.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	97.4	163.5	-59.9	173.8	0	0	0	105.7	V281 V479 A531 I553 L590	V281-I551 HydrophobicContact CB-CD1 4.48Å; V281-I551 HydrophobicContact CG1-CD1 4.18Å; V281-I551 HydrophobicContact CG1-CG2 4.11Å; V479-I551 HydrophobicContact CG1-CG2 4.18Å; A531-I551 HydrophobicContact CB-CB 4.27Å; A531-I551 HydrophobicContact CB-CG2 4.17Å; A531-I551 WeakPolarHBondContact CB-O 3.44Å; A531-I551 PolarHBondContact N-O 3.18Å; I551-I553 HydrophobicContact CG2-CG2 4.42Å; I551-L590 HydrophobicContact CD1-CB 3.9Å; I551-L590 HydrophobicContact CG1-CB 4.24Å; I551-L590 HydrophobicContact CG1-CD1 4.47Å
552	F	98.9	Very high	96.4	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.022	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.9	177.5	-80.3	-79.7	0	0	0	111.3	F480 L484 V493 L496 L528 Q529 Y550	F480-F552 HydrophobicContact CB-CB 4.22Å; F480-F552 PolarHBondContact N-O 2.96Å; F480-F552 PolarHBondContact O-N 3.25Å; L484-F552 HydrophobicContact CD1-CD2 4.31Å; L484-F552 HydrophobicContact CD1-CE2 3.77Å; V493-F552 HydrophobicContact CG1-CZ 4.4Å; L496-F552 HydrophobicContact CB-CD1 4.22Å; L496-F552 HydrophobicContact CB-CE1 3.88Å; L496-F552 HydrophobicContact CB-CE2 4.36Å; L496-F552 HydrophobicContact CB-CZ 3.96Å; L496-F552 HydrophobicContact CD1-CD2 3.78Å; L496-F552 HydrophobicContact CD1-CE1 4.49Å; L496-F552 HydrophobicContact CD1-CE2 3.47Å; L496-F552 VanDerWaalsContact CD1-CE2 3.47Å; L496-F552 HydrophobicContact CD1-CG 4.42Å; L496-F552 HydrophobicContact CD1-CZ 3.86Å; L496-F552 HydrophobicContact CG-CE2 4.5Å; L528-F552 HydrophobicContact CB-CB 4.29Å; L528-F552 HydrophobicContact CB-CD1 3.84Å; L528-F552 HydrophobicContact CB-CG 4.45Å; L528-F552 HydrophobicContact CD1-CB 4.29Å; Q529-F552 CarbonylContact O-C 3.38Å; Q529-F552 VanDerWaalsContact O-CA 3.32Å; Q529-F552 WeakPolarHBondContact O-CA 3.32Å; Y550-F552 AromaticContact CD1-CE2 3.87Å; Y550-F552 HydrophobicContact CD1-CE2 3.87Å; Y550-F552 HydrophobicContact CD1-CZ 4.02Å; Y550-F552 HydrophobicContact CD2-CE2 4.16Å; Y550-F552 HydrophobicContact CG-CD2 4.26Å; Y550-F552 AromaticContact CG-CE2 3.52Å; Y550-F552 HydrophobicContact CG-CE2 3.52Å; Y550-F552 HydrophobicContact CG-CZ 4.16Å
553	I	98.4	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158	178.7	65.1	172.9	0	0	0	110.6	L528 Q529 A531 I551 P555 M558 V560 L594	L528-I553 WeakPolarHBondContact CA-O 3.47Å; Q529-I553 HydrophobicContact CB-CG1 4.17Å; Q529-I553 PolarHBondContact N-O 2.91Å; Q529-I553 PolarHBondContact O-N 2.91Å; A531-I553 HydrophobicContact CB-CD1 4.28Å; A531-I553 HydrophobicContact CB-CG1 4.48Å; A531-I553 HydrophobicContact CB-CG2 4.27Å; I551-I553 HydrophobicContact CG2-CG2 4.42Å; I553-P555 VanDerWaalsContact O-CD 3.29Å; I553-P555 WeakPolarHBondContact O-CD 3.4Å; I553-M558 HydrophobicContact CD1-CB 4.24Å; I553-V560 HydrophobicContact CD1-CG2 3.85Å; I553-L594 HydrophobicContact CD1-CD2 4.02Å; I553-L594 HydrophobicContact CG2-CD1 3.69Å; I553-L594 HydrophobicContact CG2-CD2 4.24Å
554	Q	96.6	Very high	97.1	Very high	26 Å²	26	40.4 Å²	40.4	12%	0.121	20%	0.204	C	C	.	.			trans	-82.7	109	167	-70.2	175.9	-81.6	0	0	109.7	L478 L528 Q556 S557 M558	L478-Q554 HydrophobicContact CB-CG 4.32Å; L528-Q554 HydrophobicContact CD2-CB 4.38Å; L528-Q554 HydrophobicContact CD2-CG 3.46Å; L528-Q554 VanDerWaalsContact CD2-CG 3.46Å; Q554-Q556 PolarHBondContact O-N 3.2Å; Q554-Q556 VanDerWaalsContact O-N 3.13Å; Q554-S557 PolarHBondContact O-N 3.08Å; Q554-M558 PolarHBondContact O-N 3.31Å
555	P	95.2	Very high	97.3	Very high	40 Å²	40	38.9 Å²	38.9	26%	0.26	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.9	-174.1	26.1	-34.3	0	0	0	113.5	P527 Q529 I553 S557 M558 N597	P527-P555 WeakPolarHBondContact O-CD 3.39Å; Q529-P555 HydrophobicContact CB-CB 4.24Å; Q529-P555 HydrophobicContact CB-CG 4.32Å; I553-P555 VanDerWaalsContact O-CD 3.29Å; I553-P555 WeakPolarHBondContact O-CD 3.4Å; P555-S557 VanDerWaalsContact C-N 3.28Å; P555-M558 WeakPolarHBondContact CA-O 3.32Å; P555-N597 PolarHBondContact O-ND2 3.48Å; P555-N597 VanDerWaalsContact O-ND2 3.07Å
556	Q	93.6	Very high	97.4	Very high	112 Å²	112	35.8 Å²	35.8	52%	0.523	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-23	174.6	-57.9	78.8	12.8	0	0	112.4	Q554 N597	Q554-Q556 PolarHBondContact O-N 3.2Å; Q554-Q556 VanDerWaalsContact O-N 3.13Å; Q556-N597 PolarHBondContact O-ND2 2.91Å
557	S	93.3	Very high	97.4	Very high	39 Å²	39	35.9 Å²	35.9	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-24.6	-174.8	-52.7	0	0	0	0	113.6	Q554 P555 N597	Q554-S557 PolarHBondContact O-N 3.08Å; P555-S557 VanDerWaalsContact C-N 3.28Å; S557-N597 PolarHBondContact N-ND2 3.08Å; S557-N597 PolarHBondContact O-N 2.91Å
558	M	94.9	Very high	97.4	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.5	178.4	-64.8	-167.3	179.8	0	0	111.8	L279 V436 P477 V479 I553 Q554 P555 L594 L595 W596	L279-M558 HydrophobicContact CD1-CE 4.35Å; V436-M558 HydrophobicContact CB-CE 4.4Å; V436-M558 HydrophobicContact CG2-CE 3.73Å; P477-M558 HydrophobicContact CB-CE 3.78Å; P477-M558 HydrophobicContact CB-CG 4.19Å; P477-M558 HydrophobicContact CG-CE 3.36Å; P477-M558 HydrophobicContact CG-CG 4.4Å; V479-M558 HydrophobicContact CG2-CE 3.76Å; V479-M558 HydrophobicContact CG2-SD 3.66Å; I553-M558 HydrophobicContact CD1-CB 4.24Å; Q554-M558 PolarHBondContact O-N 3.31Å; P555-M558 WeakPolarHBondContact CA-O 3.32Å; M558-L594 HydrophobicContact SD-CB 4.38Å; M558-L594 HydrophobicContact SD-CD1 3.92Å; M558-L595 CarbonylContact C-O 3.47Å; M558-L595 VanDerWaalsContact CA-O 3.22Å; M558-L595 WeakPolarHBondContact CA-O 3.32Å; M558-W596 HydrophobicContact CE-CD2 4.31Å; M558-W596 HydrophobicContact CE-CE3 4.41Å; M558-W596 HydrophobicContact CE-CH2 3.89Å; M558-W596 HydrophobicContact CE-CZ2 3.74Å; M558-W596 HydrophobicContact CE-CZ3 4.27Å
559	Q	95.8	Very high	97.4	Very high	116 Å²	116	42.6 Å²	42.6	54%	0.542	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.6	173.1	-80.8	170.2	40.2	0	0	111.1	L594 L595 N597	Q559-L594 CarbonylContact O-C 3.47Å; Q559-L594 VanDerWaalsContact O-CA 3.28Å; Q559-L594 WeakPolarHBondContact O-CA 3.3Å; Q559-L595 PolarHBondContact N-O 3.27Å; Q559-L595 PolarHBondContact O-N 2.86Å; Q559-N597 VanDerWaalsContact CD-OD1 3.3Å; Q559-N597 WeakPolarHBondContact CG-OD1 3.49Å; Q559-N597 PolarHBondContact NE2-OD1 3.04Å
560	V	97.9	Very high	97.4	Very high	44 Å²	44	50 Å²	50	27%	0.267	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.7	174	-175.6	0	0	0	0	108.7	A531 I553 V563 L594	A531-V560 HydrophobicContact CB-CG2 3.79Å; I553-V560 HydrophobicContact CD1-CG2 3.85Å; V560-V563 HydrophobicContact CG1-CG2 3.72Å; V560-L594 HydrophobicContact CG2-CD2 4.12Å
561	E	96.7	Very high	97.3	Very high	122 Å²	122	52.3 Å²	52.3	57%	0.57	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	-46.1	176	177.2	64	-175.6	0	0	110.8	D593 L595	E561-D593 HydrophobicContact CB-CB 4.29Å; E561-D593 PolarHBondContact N-O 2.98Å; E561-L595 HydrophobicContact CB-CD1 3.96Å; E561-L595 HydrophobicContact CB-CG 4.05Å; E561-L595 HydrophobicContact CG-CD1 4.13Å; E561-L595 WeakPolarHBondContact OE2-CD1 3.45Å
562	Q	97.3	Very high	97.3	Very high	69 Å²	69	52.3 Å²	52.3	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	152.1	173.2	55.8	170.9	-22.7	0	0	111.7	I564 C592 D593	Q562-I564 HydrophobicContact CG-CD1 4.35Å; Q562-C592 CarbonylContact O-C 3.59Å; Q562-C592 VanDerWaalsContact O-CA 3.26Å; Q562-C592 WeakPolarHBondContact O-CA 3.44Å; Q562-C592 WeakPolarHBondContact O-CB 3.43Å; Q562-D593 HydrophobicContact CG-CB 3.7Å; Q562-D593 PolarHBondContact N-O 2.91Å; Q562-D593 PolarHBondContact NE2-OD2 3.37Å; Q562-D593 PolarHBondContact O-N 2.94Å
563	V	98.7	Very high	97.3	Very high	58 Å²	58	54.1 Å²	54.1	35%	0.352	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.8	167.3	-177.6	0	0	0	0	107.3	A531 C532 V560 C592	A531-V563 VanDerWaalsContact O-CG2 3.29Å; A531-V563 WeakPolarHBondContact O-CG2 3.46Å; C532-V563 HydrophobicContact CB-CG1 4.11Å; V560-V563 HydrophobicContact CG1-CG2 3.72Å; V563-C592 HydrophobicContact CG2-CB 4.41Å
564	I	98.8	Very high	97.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-76.1	122.3	177.7	-67.5	58.3	0	0	0	106.3	R266 T270 Q562 L566 V591	R266-I564 HydrophobicContact CB-CG2 3.9Å; R266-I564 PolarHBondContact NH2-O 3.19Å; T270-I564 HydrophobicContact CG2-CD1 4.44Å; T270-I564 HydrophobicContact CG2-CG1 3.71Å; Q562-I564 HydrophobicContact CG-CD1 4.35Å; I564-L566 PolarHBondContact O-N 2.85Å; I564-V591 HydrophobicContact CB-CB 3.97Å; I564-V591 HydrophobicContact CB-CG1 4.28Å; I564-V591 HydrophobicContact CD1-CB 4.32Å; I564-V591 HydrophobicContact CD1-CG1 3.86Å; I564-V591 HydrophobicContact CG1-CB 4.18Å; I564-V591 HydrophobicContact CG1-CG1 3.91Å; I564-V591 PolarHBondContact N-O 2.92Å
565	P	98.6	Very high	97.3	Very high	54 Å²	54	60.5 Å²	60.5	35%	0.351	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-58.1	141	-171.3	23.4	-33.8	0	0	0	111.3	R266 Y269	R266-P565 PolarHBondContact NE-O 2.81Å; Y269-P565 HydrophobicContact CD2-CG 4.13Å; Y269-P565 HydrophobicContact CE1-CG 4.27Å; Y269-P565 HydrophobicContact CE2-CG 3.63Å
566	L	98.8	Very high	97.4	Very high	43 Å²	43	66.1 Å²	66.1	23%	0.225	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-66.2	157.2	168.7	-84.7	70.1	0	0	0	109.5	P535 Y537 I564 I588 L590	P535-L566 HydrophobicContact CB-CD2 3.9Å; P535-L566 HydrophobicContact CG-CD1 4.4Å; P535-L566 HydrophobicContact CG-CD2 4.23Å; Y537-L566 WeakPolarHBondContact O-CD2 3.36Å; I564-L566 PolarHBondContact O-N 2.85Å; L566-I588 HydrophobicContact CB-CG2 4.43Å; L566-I588 HydrophobicContact CD2-CB 4.44Å; L566-I588 HydrophobicContact CD2-CD1 4.31Å; L566-I588 HydrophobicContact CD2-CG2 4.09Å; L566-I588 HydrophobicContact CG-CG2 3.85Å; L566-L590 HydrophobicContact CD1-CD2 4.05Å
567	P	98.7	Very high	97.6	Very high	9 Å²	9	60.9 Å²	60.9	6%	0.058	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-53.8	143.2	170.8	-21.3	33	0	0	0	111	T262 E571 V572 I588	T262-P567 HydrophobicContact CG2-CB 4.46Å; P567-E571 HydrophobicContact CB-CB 4.09Å; P567-V572 HydrophobicContact CB-CG2 4.03Å; P567-I588 VanDerWaalsContact CD-CG2 3.49Å; P567-I588 HydrophobicContact CG-CG2 4.2Å
568	S	98.4	Very high	97.9	Very high	55 Å²	55	59 Å²	59	39%	0.385	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-59.7	155.8	174.9	66	0	0	0	0	111.1	Q570 E571 V572	S568-Q570 PolarHBondContact O-N 3.08Å; S568-Q570 VanDerWaalsContact O-N 3.17Å; S568-E571 WeakPolarHBondContact CB-OE2 3.34Å; S568-E571 PolarHBondContact N-OE2 2.98Å; S568-E571 PolarHBondContact O-N 3.32Å; S568-E571 WeakPolarHBondContact OG-CG 3.33Å; S568-E571 PolarHBondContact OG-N 3.14Å; S568-E571 PolarHBondContact OG-OE2 3.33Å; S568-V572 WeakPolarHBondContact O-CG2 3.38Å; S568-V572 PolarHBondContact O-N 2.94Å
569	H	98.5	Very high	98.1	Very high	100 Å²	100	59 Å²	59	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-58.1	-32.3	176.2	-172	65.6	0	0	0	112.6	Y537 Y540 V572 T573	Y537-H569 AromaticContact CE1-ND1 3.77Å; Y537-H569 AromaticContact CZ-ND1 3.68Å; Y537-H569 WeakPolarHBondContact OH-CA 3.48Å; Y537-H569 PolarHBondContact OH-ND1 3.22Å; Y540-H569 AromaticContact CE2-CE1 3.87Å; Y540-H569 AromaticContact CZ-CE1 3.9Å; Y540-H569 PolarHBondContact OH-CE1 2.8Å; H569-V572 PolarHBondContact O-N 3.14Å; H569-T573 VanDerWaalsContact CE1-CG2 3.43Å; H569-T573 WeakPolarHBondContact CE1-CG2 3.48Å; H569-T573 WeakPolarHBondContact O-CB 3.35Å; H569-T573 WeakPolarHBondContact O-CG2 3.46Å; H569-T573 PolarHBondContact O-N 3.15Å; H569-T573 PolarHBondContact O-OG1 3.1Å
570	Q	98.3	Very high	98.2	Very high	157 Å²	157	53.6 Å²	53.6	73%	0.734	28%	0.277	S	S	*	.	H	α-helix	trans	-64.4	-44.3	174.5	-174.1	178.3	9	0	0	112	S568 T573 T574	S568-Q570 PolarHBondContact O-N 3.08Å; S568-Q570 VanDerWaalsContact O-N 3.17Å; Q570-T573 PolarHBondContact O-N 2.75Å; Q570-T574 PolarHBondContact O-N 2.9Å; Q570-T574 PolarHBondContact O-OG1 2.81Å
571	E	98.1	Very high	98.2	Very high	48 Å²	48	52.5 Å²	52.5	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-44.5	175.9	-74.2	162.8	122.9	0	0	111.2	T262 N265 P567 S568 T573	T262-E571 HydrophobicContact CG2-CB 4.39Å; N265-E571 PolarHBondContact ND2-OE1 2.81Å; P567-E571 HydrophobicContact CB-CB 4.09Å; S568-E571 WeakPolarHBondContact CB-OE2 3.34Å; S568-E571 PolarHBondContact N-OE2 2.98Å; S568-E571 PolarHBondContact O-N 3.32Å; S568-E571 WeakPolarHBondContact OG-CG 3.33Å; S568-E571 PolarHBondContact OG-N 3.14Å; S568-E571 PolarHBondContact OG-OE2 3.33Å; E571-T573 PolarHBondContact O-N 3.11Å
572	V	98.4	Very high	98.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-39	179	174.5	0	0	0	0	112.3	Y537 Y540 P567 S568 H569 L578 I588	Y537-V572 HydrophobicContact CE2-CG1 4.1Å; Y537-V572 HydrophobicContact CE2-CG2 4.11Å; Y540-V572 HydrophobicContact CD1-CG1 3.59Å; Y540-V572 HydrophobicContact CD2-CG1 4.18Å; Y540-V572 HydrophobicContact CE1-CG1 4.14Å; Y540-V572 HydrophobicContact CG-CG1 3.63Å; P567-V572 HydrophobicContact CB-CG2 4.03Å; S568-V572 WeakPolarHBondContact O-CG2 3.38Å; S568-V572 PolarHBondContact O-N 2.94Å; H569-V572 PolarHBondContact O-N 3.14Å; V572-L578 HydrophobicContact CG1-CD1 4.2Å; V572-L578 HydrophobicContact CG1-CD2 4.14Å; V572-L578 HydrophobicContact CG1-CG 3.98Å; V572-I588 HydrophobicContact CG2-CD1 4.03Å
573	T	98.3	Very high	98.4	Very high	44 Å²	44	43.9 Å²	43.9	27%	0.27	23%	0.232	S	C	.	.	H	α-helix	trans	-95.9	1.3	-175.4	58.1	0	0	0	0	114.4	Y540 H569 Q570 E571 H575 K576	Y540-T573 HydrophobicContact CE1-CG2 3.97Å; H569-T573 VanDerWaalsContact CE1-CG2 3.43Å; H569-T573 WeakPolarHBondContact CE1-CG2 3.48Å; H569-T573 WeakPolarHBondContact O-CB 3.35Å; H569-T573 WeakPolarHBondContact O-CG2 3.46Å; H569-T573 PolarHBondContact O-N 3.15Å; H569-T573 PolarHBondContact O-OG1 3.1Å; Q570-T573 PolarHBondContact O-N 2.75Å; E571-T573 PolarHBondContact O-N 3.11Å; T573-H575 PolarHBondContact O-N 2.88Å; T573-H575 VanDerWaalsContact O-N 3.1Å; T573-K576 WeakPolarHBondContact O-CA 3.04Å; T573-K576 PolarHBondContact O-N 2.88Å
574	T	98	Very high	98.4	Very high	91 Å²	91	41.2 Å²	41.2	56%	0.558	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.2	177.3	-68.8	0	0	0	0	111.7	Q570	Q570-T574 PolarHBondContact O-N 2.9Å; Q570-T574 PolarHBondContact O-OG1 2.81Å
575	H	97.1	Very high	98.4	Very high	68 Å²	68	41.2 Å²	41.2	32%	0.315	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	31.9	175.4	-58	-70.8	0	0	0	112.7	T573 A577 V581	T573-H575 PolarHBondContact O-N 2.88Å; T573-H575 VanDerWaalsContact O-N 3.1Å; H575-A577 PolarHBondContact O-N 2.99Å; H575-A577 VanDerWaalsContact O-N 3.09Å; H575-V581 VanDerWaalsContact CE1-CG2 3.45Å; H575-V581 WeakPolarHBondContact CE1-CG2 3.45Å; H575-V581 VanDerWaalsContact NE2-CG2 3.28Å; H575-V581 WeakPolarHBondContact NE2-CG2 3.37Å
576	K	97.8	Very high	98.4	Very high	158 Å²	158	39.2 Å²	39.2	69%	0.687	20%	0.202	S	C	*	.	S	Bend	trans	74.2	-52.8	-173.4	-51.4	174.7	179.1	176	0	114.5	Y304 T573	Y304-K576 HydrophobicContact CG-CB 4.43Å; T573-K576 WeakPolarHBondContact O-CA 3.04Å; T573-K576 PolarHBondContact O-N 2.88Å
577	A	98.5	Very high	98.4	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	19%	0.193	C	C	.	.	S	Bend	trans	-159.2	-171.8	-179.8	0	0	0	0	0	111.1	Y304 Y540 H575	Y304-A577 HydrophobicContact CD2-CB 4.21Å; Y304-A577 HydrophobicContact CE1-CB 3.99Å; Y304-A577 VanDerWaalsContact CE2-C 3.47Å; Y304-A577 HydrophobicContact CE2-CB 3.65Å; Y540-A577 HydrophobicContact CD1-CB 3.74Å; Y540-A577 HydrophobicContact CE1-CB 3.82Å; H575-A577 PolarHBondContact O-N 2.99Å; H575-A577 VanDerWaalsContact O-N 3.09Å
578	L	98.6	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-104.9	151.6	-179.8	-51.1	-178.7	0	0	0	111.7	Y304 Y540 V572 H583 S585 I588	Y304-L578 WeakPolarHBondContact CE2-O 3.48Å; Y304-L578 PolarHBondContact OH-O 3.38Å; Y540-L578 VanDerWaalsContact O-CB 3.29Å; Y540-L578 WeakPolarHBondContact O-CB 3.32Å; Y540-L578 PolarHBondContact O-N 3.02Å; V572-L578 HydrophobicContact CG1-CD1 4.2Å; V572-L578 HydrophobicContact CG1-CD2 4.14Å; V572-L578 HydrophobicContact CG1-CG 3.98Å; L578-H583 HydrophobicContact CD2-CB 3.76Å; L578-S585 WeakPolarHBondContact CB-O 3.31Å; L578-I588 HydrophobicContact CD1-CD1 4.11Å; L578-I588 HydrophobicContact CD1-CG1 3.68Å
579	P	98.6	Very high	98.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	S	Bend	cis	-69.2	169.9	-7.3	31.7	-35.8	0	0	0	111.9	L287 Y302 C305 L310 H583 S585	L287-P579 HydrophobicContact CD2-CG 4.09Å; Y302-P579 HydrophobicContact CD1-CG 4.43Å; Y302-P579 HydrophobicContact CG-CG 4.37Å; C305-P579 HydrophobicContact CB-CG 4.47Å; C305-P579 WeakPolarHBondContact CB-O 3.48Å; C305-P579 PolarHBondContact SG-O 3.38Å; L310-P579 HydrophobicContact CD2-CG 3.44Å; L310-P579 VanDerWaalsContact CD2-CG 3.44Å; P579-H583 WeakPolarHBondContact CB-O 3.34Å; P579-S585 VanDerWaalsContact CA-O 3.26Å; P579-S585 WeakPolarHBondContact CA-O 3.39Å; P579-S585 WeakPolarHBondContact CB-O 3.47Å
580	S	98.6	Very high	98.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-149.7	179.9	177.3	74.1	0	0	0	0	111.8	A582 H583	S580-A582 PolarHBondContact O-N 2.91Å; S580-A582 VanDerWaalsContact O-N 3.16Å; S580-A582 PolarHBondContact OG-N 3.42Å; S580-A582 VanDerWaalsContact OG-N 3.16Å; S580-H583 PolarHBondContact N-O 2.82Å; S580-H583 PolarHBondContact O-N 3.16Å; S580-H583 PolarHBondContact OG-N 3.42Å
581	V	98.3	Very high	98.5	Very high	21 Å²	21	22.3 Å²	22.3	13%	0.127	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.9	171.8	-56.2	0	0	0	0	112.4	P258 A306 Y308 A309 Y314 H575	P258-V581 WeakPolarHBondContact CB-O 3.33Å; A306-V581 HydrophobicContact CB-CG1 3.73Å; Y308-V581 HydrophobicContact CE1-CG1 4.4Å; Y308-V581 HydrophobicContact CE2-CG1 4.24Å; Y308-V581 WeakPolarHBondContact OH-CG1 3.35Å; A309-V581 HydrophobicContact CB-CB 4.45Å; A309-V581 HydrophobicContact CB-CG1 3.97Å; Y314-V581 PolarHBondContact OH-O 3.4Å; H575-V581 VanDerWaalsContact CE1-CG2 3.45Å; H575-V581 WeakPolarHBondContact CE1-CG2 3.45Å; H575-V581 VanDerWaalsContact NE2-CG2 3.28Å; H575-V581 WeakPolarHBondContact NE2-CG2 3.37Å
582	A	98.3	Very high	98.5	Very high	11 Å²	11	20 Å²	20	9%	0.091	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-1.7	-178	0	0	0	0	0	113.7	V260 C261 T262 S580	V260-A582 WeakPolarHBondContact O-CB 3.43Å; C261-A582 WeakPolarHBondContact CA-O 3.5Å; T262-A582 PolarHBondContact N-O 2.95Å; T262-A582 VanDerWaalsContact N-O 3.1Å; S580-A582 PolarHBondContact O-N 2.91Å; S580-A582 VanDerWaalsContact O-N 3.16Å; S580-A582 PolarHBondContact OG-N 3.42Å; S580-A582 VanDerWaalsContact OG-N 3.16Å
583	H	98.8	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-150.1	122.2	-173.2	-163	99.4	0	0	0	111.9	T262 Y284 L578 P579 S580 S585 H587	T262-H583 HydrophobicContact CG2-CB 4.04Å; T262-H583 PolarHBondContact OG1-ND1 2.89Å; Y284-H583 PolarHBondContact OH-NE2 3.14Å; L578-H583 HydrophobicContact CD2-CB 3.76Å; P579-H583 WeakPolarHBondContact CB-O 3.34Å; S580-H583 PolarHBondContact N-O 2.82Å; S580-H583 PolarHBondContact O-N 3.16Å; S580-H583 PolarHBondContact OG-N 3.42Å; H583-S585 PolarHBondContact CD2-O 3.49Å; H583-H587 PolarHBondContact NE2-O 3.47Å
584	P	98.6	Very high	98.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	9%	0.094	C	C	.	.	S	Bend	trans	-88.7	-6.3	-164	34.3	-36.6	0	0	0	117	R315 L318 V319	R315-P584 HydrophobicContact CB-CB 4.14Å; R315-P584 VanDerWaalsContact CD-O 3.29Å; R315-P584 WeakPolarHBondContact CD-O 3.45Å; L318-P584 HydrophobicContact CB-CB 3.66Å; L318-P584 HydrophobicContact CB-CG 3.89Å; L318-P584 HydrophobicContact CD2-CB 4.25Å; V319-P584 HydrophobicContact CG2-CB 3.76Å; V319-P584 HydrophobicContact CG2-CG 3.73Å
585	S	98.8	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-128.9	167.2	179.6	-175.3	0	0	0	0	110.5	Y284 N285 L578 P579 H583 H587	Y284-S585 VanDerWaalsContact OH-CB 3.23Å; Y284-S585 WeakPolarHBondContact OH-CB 3.44Å; N285-S585 WeakPolarHBondContact O-CB 3.35Å; N285-S585 PolarHBondContact O-OG 2.88Å; L578-S585 WeakPolarHBondContact CB-O 3.31Å; P579-S585 VanDerWaalsContact CA-O 3.26Å; P579-S585 WeakPolarHBondContact CA-O 3.39Å; P579-S585 WeakPolarHBondContact CB-O 3.47Å; H583-S585 PolarHBondContact CD2-O 3.49Å; S585-H587 VanDerWaalsContact C-N 3.29Å; S585-H587 PolarHBondContact OG-N 3.42Å; S585-H587 VanDerWaalsContact OG-N 3.11Å
586	D	98.6	Very high	98	Very high	13 Å²	13	14.4 Å²	14.4	7%	0.07	7%	0.069	C	C	.	.	S	Bend	trans	-80.8	-11.7	162.9	49.5	-13.1	0	0	0	113.2	Y302 N539 Y540 V541	Y302-D586 HydrophobicContact CE1-CB 4.06Å; Y302-D586 PolarHBondContact OH-OD2 2.67Å; N539-D586 WeakPolarHBondContact CA-O 3.12Å; Y540-D586 PolarHBondContact N-O 3.48Å; V541-D586 HydrophobicContact CG1-CB 3.55Å
587	H	98.9	Very high	97.3	Very high	6 Å²	6	9 Å²	9	3%	0.028	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-98.8	165.2	170.8	-68.7	-116.1	0	0	0	112.4	Y284 N285 D483 T538 N539 D549 H583 S585	Y284-H587 HydrophobicContact CD2-CB 4.45Å; Y284-H587 HydrophobicContact CE2-CB 4.23Å; Y284-H587 VanDerWaalsContact CE2-O 3.25Å; Y284-H587 WeakPolarHBondContact CE2-O 3.17Å; Y284-H587 PolarHBondContact OH-O 3.16Å; N285-H587 HydrophobicContact CB-CB 4.02Å; D483-H587 IonicContact OD2-CE1 2.75Å; D483-H587 PolarHBondContact OD2-CE1 3.45Å; D483-H587 IonicContact OD2-NE2 2.68Å; T538-H587 CarbonylContact O-C 3.53Å; T538-H587 WeakPolarHBondContact O-CA 3.36Å; N539-H587 PolarHBondContact ND2-CD2 3.13Å; N539-H587 PolarHBondContact ND2-NE2 3.34Å; D549-H587 IonicContact OD1-CE1 2.91Å; D549-H587 IonicContact OD1-ND1 3.81Å; D549-H587 PolarHBondContact OD1-ND1 3.08Å; D549-H587 IonicContact OD2-CE1 2.93Å; D549-H587 IonicContact OD2-CG 3.78Å; D549-H587 IonicContact OD2-ND1 2.71Å; D549-H587 PolarHBondContact OD2-ND1 3.26Å; H583-H587 PolarHBondContact NE2-O 3.47Å; S585-H587 VanDerWaalsContact C-N 3.29Å; S585-H587 PolarHBondContact OG-N 3.42Å; S585-H587 VanDerWaalsContact OG-N 3.11Å
588	I	98.9	Very high	95.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.112	C	C	.	.			trans	-115.3	126.6	175.5	-58.5	171.5	0	0	0	108.5	Y537 T538 L566 P567 V572 L578 L590	Y537-I588 HydrophobicContact CD2-CD1 4.03Å; Y537-I588 HydrophobicContact CE2-CD1 3.91Å; T538-I588 PolarHBondContact O-N 2.77Å; L566-I588 HydrophobicContact CB-CG2 4.43Å; L566-I588 HydrophobicContact CD2-CB 4.44Å; L566-I588 HydrophobicContact CD2-CD1 4.31Å; L566-I588 HydrophobicContact CD2-CG2 4.09Å; L566-I588 HydrophobicContact CG-CG2 3.85Å; P567-I588 VanDerWaalsContact CD-CG2 3.49Å; P567-I588 HydrophobicContact CG-CG2 4.2Å; V572-I588 HydrophobicContact CG2-CD1 4.03Å; L578-I588 HydrophobicContact CD1-CD1 4.11Å; L578-I588 HydrophobicContact CD1-CG1 3.68Å; I588-L590 PolarHBondContact O-N 3.4Å
589	A	98.9	Very high	95.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.			trans	-57.1	127	177.6	0	0	0	0	0	111.6	R266 V282 Y284 Y326 V591	R266-A589 VanDerWaalsContact CZ-O 3.23Å; R266-A589 PolarHBondContact NH1-O 3.11Å; R266-A589 PolarHBondContact NH2-O 3.06Å; V282-A589 HydrophobicContact CG1-CB 4.4Å; Y284-A589 HydrophobicContact CD1-CB 3.68Å; Y284-A589 HydrophobicContact CD2-CB 3.83Å; Y284-A589 HydrophobicContact CE1-CB 4.08Å; Y284-A589 HydrophobicContact CE2-CB 4.23Å; Y284-A589 HydrophobicContact CG-CB 3.54Å; Y326-A589 HydrophobicContact CE2-CB 3.95Å; A589-V591 HydrophobicContact CB-CG2 4.38Å
590	L	98.9	Very high	95.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	133.1	166.6	-66.9	-172.7	0	0	0	109.2	V282 S283 C532 P535 T538 D549 I551 L566 I588	V282-L590 CarbonylContact C-O 3.59Å; V282-L590 VanDerWaalsContact CA-O 3.23Å; V282-L590 WeakPolarHBondContact CA-O 3.32Å; S283-L590 PolarHBondContact N-O 2.97Å; S283-L590 PolarHBondContact O-N 3.38Å; C532-L590 HydrophobicContact CB-CD1 4.19Å; C532-L590 HydrophobicContact CB-CD2 4.07Å; P535-L590 HydrophobicContact CG-CD2 4.43Å; T538-L590 HydrophobicContact CG2-CD2 3.86Å; T538-L590 HydrophobicContact CG2-CG 4.4Å; D549-L590 HydrophobicContact CB-CD1 4Å; D549-L590 HydrophobicContact CB-CG 4.32Å; D549-L590 VanDerWaalsContact O-CD1 3.26Å; D549-L590 WeakPolarHBondContact O-CD1 3.4Å; I551-L590 HydrophobicContact CD1-CB 3.9Å; I551-L590 HydrophobicContact CG1-CB 4.24Å; I551-L590 HydrophobicContact CG1-CD1 4.47Å; L566-L590 HydrophobicContact CD1-CD2 4.05Å; I588-L590 PolarHBondContact O-N 3.4Å
591	V	98.9	Very high	95	Very high	1 Å²	1	21 Å²	21	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	126	-179.5	-169.8	0	0	0	0	109.1	R280 V281 V282 Y326 I564 A589	R280-V591 HydrophobicContact CG-CG1 3.95Å; V281-V591 WeakPolarHBondContact O-CA 3.39Å; V282-V591 HydrophobicContact CG1-CG2 4.42Å; V282-V591 HydrophobicContact CG2-CB 4.45Å; V282-V591 HydrophobicContact CG2-CG1 4Å; V282-V591 HydrophobicContact CG2-CG2 4Å; Y326-V591 HydrophobicContact CD1-CG2 4.14Å; Y326-V591 HydrophobicContact CD2-CG2 3.99Å; Y326-V591 HydrophobicContact CE1-CG2 4.04Å; Y326-V591 HydrophobicContact CE2-CG2 3.87Å; Y326-V591 HydrophobicContact CG-CG2 4.15Å; I564-V591 HydrophobicContact CB-CB 3.97Å; I564-V591 HydrophobicContact CB-CG1 4.28Å; I564-V591 HydrophobicContact CD1-CB 4.32Å; I564-V591 HydrophobicContact CD1-CG1 3.86Å; I564-V591 HydrophobicContact CG1-CB 4.18Å; I564-V591 HydrophobicContact CG1-CG1 3.91Å; I564-V591 PolarHBondContact N-O 2.92Å; A589-V591 HydrophobicContact CB-CG2 4.38Å
592	C	98.8	Very high	94.8	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.5	175.4	61.5	0	0	0	0	111.2	R280 V281 Q562 V563	R280-C592 WeakPolarHBondContact CA-O 3.47Å; V281-C592 PolarHBondContact N-O 3.17Å; V281-C592 PolarHBondContact O-N 3.45Å; V281-C592 VanDerWaalsContact O-N 3.1Å; Q562-C592 CarbonylContact O-C 3.59Å; Q562-C592 VanDerWaalsContact O-CA 3.26Å; Q562-C592 WeakPolarHBondContact O-CA 3.44Å; Q562-C592 WeakPolarHBondContact O-CB 3.43Å; V563-C592 HydrophobicContact CG2-CB 4.41Å
593	D	98.6	Very high	94.6	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.032	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.1	167.7	-64.7	-4.2	0	0	0	108.5	L279 R280 E561 Q562	L279-D593 CarbonylContact O-C 3.6Å; L279-D593 WeakPolarHBondContact O-CA 3.38Å; R280-D593 VanDerWaalsContact CB-OD1 3.23Å; R280-D593 WeakPolarHBondContact CB-OD1 3.3Å; R280-D593 VanDerWaalsContact CG-OD1 3.23Å; R280-D593 WeakPolarHBondContact CG-OD1 3.44Å; R280-D593 IonicContact CZ-OD1 2.94Å; R280-D593 IonicContact CZ-OD2 2.81Å; R280-D593 IonicContact NE-OD1 3.76Å; R280-D593 PolarHBondContact NE-OD1 2.85Å; R280-D593 IonicContact NE-OD2 3.57Å; R280-D593 IonicContact NH2-OD1 3.86Å; R280-D593 PolarHBondContact NH2-OD1 2.84Å; R280-D593 IonicContact NH2-OD2 2.64Å; R280-D593 PolarHBondContact NH2-OD2 3.2Å; E561-D593 HydrophobicContact CB-CB 4.29Å; E561-D593 PolarHBondContact N-O 2.98Å; Q562-D593 HydrophobicContact CG-CB 3.7Å; Q562-D593 PolarHBondContact N-O 2.91Å; Q562-D593 PolarHBondContact NE2-OD2 3.37Å; Q562-D593 PolarHBondContact O-N 2.94Å
594	L	97.7	Very high	94.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.2	179.7	-56.1	179.6	0	0	0	109.9	A278 L279 V281 V479 A531 I553 M558 Q559 V560	A278-L594 CarbonylContact C-O 3.56Å; A278-L594 VanDerWaalsContact CA-O 3.26Å; A278-L594 WeakPolarHBondContact CA-O 3.49Å; L279-L594 PolarHBondContact N-O 2.69Å; L279-L594 PolarHBondContact O-N 3.22Å; V281-L594 HydrophobicContact CB-CD1 4.48Å; V281-L594 HydrophobicContact CG2-CD1 3.68Å; V281-L594 HydrophobicContact CG2-CG 4.21Å; V479-L594 HydrophobicContact CG2-CD1 4.2Å; A531-L594 HydrophobicContact CB-CD2 3.99Å; I553-L594 HydrophobicContact CD1-CD2 4.02Å; I553-L594 HydrophobicContact CG2-CD1 3.69Å; I553-L594 HydrophobicContact CG2-CD2 4.24Å; M558-L594 HydrophobicContact SD-CB 4.38Å; M558-L594 HydrophobicContact SD-CD1 3.92Å; Q559-L594 CarbonylContact O-C 3.47Å; Q559-L594 VanDerWaalsContact O-CA 3.28Å; Q559-L594 WeakPolarHBondContact O-CA 3.3Å; V560-L594 HydrophobicContact CG2-CD2 4.12Å
595	L	94.8	Very high	94	Very high	45 Å²	45	24.6 Å²	24.6	24%	0.236	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.4	170.7	-76.7	170.1	0	0	0	110	P277 A278 M558 Q559 E561	P277-L595 HydrophobicContact CG-CD2 4.28Å; A278-L595 HydrophobicContact CB-CD2 3.69Å; A278-L595 HydrophobicContact CB-CG 4.39Å; M558-L595 CarbonylContact C-O 3.47Å; M558-L595 VanDerWaalsContact CA-O 3.22Å; M558-L595 WeakPolarHBondContact CA-O 3.32Å; Q559-L595 PolarHBondContact N-O 3.27Å; Q559-L595 PolarHBondContact O-N 2.86Å; E561-L595 HydrophobicContact CB-CD1 3.96Å; E561-L595 HydrophobicContact CB-CG 4.05Å; E561-L595 HydrophobicContact CG-CD1 4.13Å; E561-L595 WeakPolarHBondContact OE2-CD1 3.45Å
596	W	89.8	Confident	93.7	Very high	34 Å²	34	26.5 Å²	26.5	13%	0.129	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.3	166.9	-65.8	80.6	0	0	0	109.4	P277 L279 R434 K435 V436 P477 M558	P277-W596 VanDerWaalsContact O-CD1 3.28Å; L279-W596 HydrophobicContact CD1-CZ2 3.99Å; L279-W596 VanDerWaalsContact CD1-NE1 3.27Å; R434-W596 HydrophobicContact CG-CD2 4.22Å; R434-W596 HydrophobicContact CG-CE3 3.99Å; R434-W596 HydrophobicContact CG-CH2 3.69Å; R434-W596 HydrophobicContact CG-CZ2 3.95Å; R434-W596 HydrophobicContact CG-CZ3 3.66Å; K435-W596 VanDerWaalsContact O-CH2 3.27Å; K435-W596 WeakPolarHBondContact O-CH2 3.37Å; V436-W596 HydrophobicContact CB-CH2 3.78Å; V436-W596 HydrophobicContact CB-CZ2 3.93Å; V436-W596 HydrophobicContact CG1-CZ2 4.47Å; P477-W596 HydrophobicContact CG-CE3 3.9Å; P477-W596 HydrophobicContact CG-CH2 3.38Å; P477-W596 HydrophobicContact CG-CZ2 4.38Å; P477-W596 HydrophobicContact CG-CZ3 3.11Å; M558-W596 HydrophobicContact CE-CD2 4.31Å; M558-W596 HydrophobicContact CE-CE3 4.41Å; M558-W596 HydrophobicContact CE-CH2 3.89Å; M558-W596 HydrophobicContact CE-CZ2 3.74Å; M558-W596 HydrophobicContact CE-CZ3 4.27Å
597	N	84.3	Confident	93.3	Very high	43 Å²	43	27.7 Å²	27.7	23%	0.23	17%	0.17	C	C	.	.			trans	-69	140	168.1	-67.1	-10.9	0	0	0	109.1	P555 Q556 S557 Q559	P555-N597 PolarHBondContact O-ND2 3.48Å; P555-N597 VanDerWaalsContact O-ND2 3.07Å; Q556-N597 PolarHBondContact O-ND2 2.91Å; S557-N597 PolarHBondContact N-ND2 3.08Å; S557-N597 PolarHBondContact O-N 2.91Å; Q559-N597 VanDerWaalsContact CD-OD1 3.3Å; Q559-N597 WeakPolarHBondContact CG-OD1 3.49Å; Q559-N597 PolarHBondContact NE2-OD1 3.04Å
598	S	60.8	Low	92.8	Very high	195 Å²	195	29.6 Å²	29.6	100%	1.364	18%	0.182	S	C	*	.			trans	-60.6	0	-178.5	-41.1	0	0	0	0	113.6

Retrieved 598 of 598 residues in 1320.3 ms (Link to these results)

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