A0A077YWE3_TRITR Loading...

Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial

Flavoprotein (FP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).

AlphaFold DB , UniProt , Accession A0A077YWE3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 647 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	36.2	Very low	233 Å²	233	160.8 Å²	160.8	100%	1.148	87%	0.865	S	S	*	*				0	120.7	0	-75.1	176.3	-165.8	0	0	108.5
2	L	38.2	Very low	35.8	Very low	166 Å²	166	155.7 Å²	155.7	87%	0.869	86%	0.861	S	S	*	*			trans	29.5	107.6	164.1	-63.4	104.7	0	0	0	118.8
3	R	31.7	Very low	35.7	Very low	237 Å²	237	154.1 Å²	154.1	89%	0.894	86%	0.858	S	S	*	*				49.1	114	65.8	-78.8	-165.3	-175.2	-160.7	3.3	116.5
4	C	38.3	Very low	35.3	Very low	123 Å²	123	154.6 Å²	154.6	83%	0.831	85%	0.851	S	S	*	*				152.2	105.5	129.1	-82.2	0	0	0	0	110
5	R	38.1	Very low	34.9	Very low	252 Å²	252	160.5 Å²	160.5	95%	0.951	86%	0.855	S	S	*	*				77.3	117.2	76.1	-88.1	-164.6	178.2	-166	0.3	116.3
6	G	36.9	Very low	34.3	Very low	70 Å²	70	158.7 Å²	158.7	72%	0.722	84%	0.844	S	S	*	*			trans	93.4	140.1	145.4	0	0	0	0	0	116.5
7	T	37.5	Very low	34	Very low	128 Å²	128	158.4 Å²	158.4	79%	0.785	84%	0.842	S	S	*	*			cis	-173.4	139.2	2.3	4.8	0	0	0	0	108.9
8	L	34.3	Very low	33.5	Very low	153 Å²	153	160.2 Å²	160.2	80%	0.801	85%	0.845	S	S	*	*			trans	53.4	117.1	142	-59.4	159.9	0	0	0	121.5
9	N	37.8	Very low	33.1	Very low	170 Å²	170	158.4 Å²	158.4	91%	0.909	84%	0.841	S	S	*	*				-162.9	144.2	110.6	-105	-17.2	0	0	0	112.2
10	G	30.9	Very low	32.9	Very low	68 Å²	68	154.9 Å²	154.9	70%	0.701	83%	0.829	S	S	*	*			trans	-84.6	147.1	-159.4	0	0	0	0	0	115.4
11	N	36.7	Very low	32.6	Very low	169 Å²	169	152.3 Å²	152.3	90%	0.904	83%	0.83	S	S	*	*			trans	-148.5	93.2	156.8	-95.8	-25.2	0	0	0	106.9
12	A	31.5	Very low	32.2	Very low	99 Å²	99	145.5 Å²	145.5	82%	0.818	81%	0.805	S	S	*	*			trans	-100.7	99.2	174.3	0	0	0	0	0	108.8	Q14	A12-Q14 PolarHBondContact O-N 3.37Å
13	V	34.7	Very low	31.9	Very low	135 Å²	135	148.8 Å²	148.8	82%	0.818	81%	0.806	S	S	*	*			trans	-79.9	95.5	165.1	176.2	0	0	0	0	107.2	R15	V13-R15 PolarHBondContact O-N 3.11Å
14	Q	29.3	Very low	31.9	Very low	162 Å²	162	143.2 Å²	143.2	76%	0.757	80%	0.803	S	S	*	*			trans	-80.5	101.6	172.4	-119	172.6	-15	0	0	109.1	A12 L16	A12-Q14 PolarHBondContact O-N 3.37Å; Q14-L16 HydrophobicContact CG-CD1 4.34Å; Q14-L16 PolarHBondContact O-N 3.47Å
15	R	29.9	Very low	31.9	Very low	243 Å²	243	144.4 Å²	144.4	92%	0.917	79%	0.791	S	S	*	*			trans	-86.3	95	159.3	-84	-173.6	178.5	-163.3	0.2	108.3	V13	V13-R15 PolarHBondContact O-N 3.11Å
16	L	25.8	Very low	31.7	Very low	131 Å²	131	137 Å²	137	69%	0.686	77%	0.771	S	S	*	*			trans	-92.5	131.9	167.2	-95.1	147.7	0	0	0	109.2	Q14	Q14-L16 HydrophobicContact CG-CD1 4.34Å; Q14-L16 PolarHBondContact O-N 3.47Å
17	L	28	Very low	31.9	Very low	154 Å²	154	137.5 Å²	137.5	81%	0.806	76%	0.763	S	S	*	*			trans	148.1	76.8	144.7	-79.2	155.1	0	0	0	111.1	V19	L17-V19 HydrophobicContact CD2-CG2 4.18Å
18	Q	25.4	Very low	31.8	Very low	191 Å²	191	134.6 Å²	134.6	89%	0.893	75%	0.748	S	S	*	*			trans	-99.8	109.2	147.6	-91.8	-176.7	-36	0	0	106.4	S20	Q18-S20 PolarHBondContact O-N 3.33Å
19	V	26.9	Very low	32.2	Very low	126 Å²	126	129.7 Å²	129.7	76%	0.764	73%	0.729	S	S	*	*			trans	-90.5	88.7	165.6	178.6	0	0	0	0	106.8	L17	L17-V19 HydrophobicContact CD2-CG2 4.18Å
20	S	27.7	Very low	32.5	Very low	88 Å²	88	122.5 Å²	122.5	62%	0.615	69%	0.692	S	S	*	*			trans	-85.3	100.2	156.8	54.8	0	0	0	0	107.2	Q18 S22	Q18-S20 PolarHBondContact O-N 3.33Å; S20-S22 PolarHBondContact O-N 3.08Å
21	A	27.4	Very low	33	Very low	101 Å²	101	128.5 Å²	128.5	84%	0.835	69%	0.694	S	S	*	*			trans	-75.9	64.1	161	0	0	0	0	0	108.9
22	S	29.2	Very low	33.6	Very low	90 Å²	90	128 Å²	128	63%	0.629	68%	0.684	S	S	*	*			trans	-103.9	86.1	162.9	60	0	0	0	0	106.9	S20 S24	S20-S22 PolarHBondContact O-N 3.08Å; S22-S24 PolarHBondContact O-N 3.2Å
23	R	33.1	Very low	34.8	Very low	234 Å²	234	125.4 Å²	125.4	88%	0.883	66%	0.655	S	S	*	*			trans	-59.7	129.3	149.4	-80.9	-175.8	178	-170.8	0.5	105.4	Y25	R23-Y25 PolarHBondContact O-N 3.21Å
24	S	30.9	Very low	35.7	Very low	121 Å²	121	122.1 Å²	122.1	85%	0.846	64%	0.638	S	S	*	*			trans	-41.3	98.1	177.3	49.8	0	0	0	0	111	S22 D26	S22-S24 PolarHBondContact O-N 3.2Å; S24-D26 PolarHBondContact O-N 2.98Å
25	Y	38.5	Very low	37.5	Very low	147 Å²	147	119.8 Å²	119.8	58%	0.576	64%	0.635	S	S	*	*			trans	-72.3	122.3	167.2	-120.1	-98.9	0	0	0	106	R23 S27 A477	R23-Y25 PolarHBondContact O-N 3.21Å; Y25-S27 PolarHBondContact O-N 3.27Å; Y25-A477 WeakPolarHBondContact OH-CB 3.46Å
26	D	34.4	Very low	40.1	Very low	97 Å²	97	112.1 Å²	112.1	52%	0.519	62%	0.619	S	S	.	*			trans	-63	109.5	171	-177.8	-7	0	0	0	108.2	S24 S28 A29 S30	S24-D26 PolarHBondContact O-N 2.98Å; D26-S28 PolarHBondContact O-N 3.06Å; D26-S28 WeakPolarHBondContact OD1-CB 3.49Å; D26-S28 PolarHBondContact OD1-N 3.05Å; D26-S28 PolarHBondContact OD1-OG 3.06Å; D26-S28 PolarHBondContact OD2-OG 3.33Å; D26-S28 VanDerWaalsContact OD2-OG 3.06Å; D26-A29 HydrophobicContact CB-CB 4.39Å; D26-A29 PolarHBondContact O-N 3.43Å; D26-S30 PolarHBondContact O-N 2.85Å
27	S	39.2	Very low	43.3	Very low	81 Å²	81	106.4 Å²	106.4	57%	0.566	59%	0.588	S	S	*	*	H	α-helix	trans	-56	-22.5	-179.9	70.3	0	0	0	0	113.1	Y25 S30 R31	Y25-S27 PolarHBondContact O-N 3.27Å; S27-S30 WeakPolarHBondContact CA-OG 3.33Å; S27-S30 PolarHBondContact O-OG 3.36Å; S27-R31 PolarHBondContact O-N 2.82Å
28	S	37	Very low	46.5	Very low	67 Å²	67	106 Å²	106	47%	0.469	58%	0.58	S	S	.	*	H	α-helix	trans	-75.1	-36.1	177.5	78.7	0	0	0	0	112.9	D26 K32	D26-S28 PolarHBondContact O-N 3.06Å; D26-S28 WeakPolarHBondContact OD1-CB 3.49Å; D26-S28 PolarHBondContact OD1-N 3.05Å; D26-S28 PolarHBondContact OD1-OG 3.06Å; D26-S28 PolarHBondContact OD2-OG 3.33Å; D26-S28 VanDerWaalsContact OD2-OG 3.06Å; S28-K32 PolarHBondContact O-N 3.47Å
29	A	42.6	Very low	49.9	Very low	49 Å²	49	99.8 Å²	99.8	41%	0.405	55%	0.552	S	S	.	*	H	α-helix	trans	-69.2	-37.5	172.8	0	0	0	0	0	110.8	D26 K32 M33	D26-A29 HydrophobicContact CB-CB 4.39Å; D26-A29 PolarHBondContact O-N 3.43Å; A29-K32 PolarHBondContact O-N 2.88Å; A29-M33 WeakPolarHBondContact O-CG 3.47Å; A29-M33 PolarHBondContact O-N 3.49Å; A29-M33 VanDerWaalsContact O-N 3.14Å
30	S	42.6	Very low	53.2	Low	19 Å²	19	95.7 Å²	95.7	13%	0.133	53%	0.527	C	S	.	.	H	α-helix	trans	-58.1	-50	178.5	85	0	0	0	0	112.3	D26 S27 K32 M33 S34 E473	D26-S30 PolarHBondContact O-N 2.85Å; S27-S30 WeakPolarHBondContact CA-OG 3.33Å; S27-S30 PolarHBondContact O-OG 3.36Å; S30-K32 VanDerWaalsContact C-N 3.33Å; S30-K32 PolarHBondContact O-N 2.97Å; S30-M33 PolarHBondContact O-N 3.18Å; S30-M33 VanDerWaalsContact O-N 3.09Å; S30-S34 PolarHBondContact O-N 3.1Å; S30-E473 WeakPolarHBondContact CA-OE1 3.32Å; S30-E473 WeakPolarHBondContact CB-OE1 3.42Å
31	R	42	Very low	56.6	Low	194 Å²	194	96 Å²	96	73%	0.732	52%	0.522	S	S	*	.	H	α-helix	trans	-66.4	-29.4	179.2	-73.5	-176.6	-175.3	179.5	2.2	113.9	S27 S34	S27-R31 PolarHBondContact O-N 2.82Å; R31-S34 PolarHBondContact O-OG 3.27Å
32	K	49.5	Very low	59.9	Low	158 Å²	158	93 Å²	93	69%	0.687	49%	0.491	S	S	*	.	H	α-helix	trans	-72.2	-34.2	174.1	-79.4	-172.8	177.3	-179.8	0	111.8	S28 A29 S30 T35	S28-K32 PolarHBondContact O-N 3.47Å; A29-K32 PolarHBondContact O-N 2.88Å; S30-K32 VanDerWaalsContact C-N 3.33Å; S30-K32 PolarHBondContact O-N 2.97Å; K32-T35 PolarHBondContact O-N 3.37Å; K32-T35 PolarHBondContact O-OG1 3.47Å
33	M	56.5	Low	63.2	Low	46 Å²	46	91 Å²	91	23%	0.227	48%	0.477	C	S	.	.	H	α-helix	trans	-69.8	-39.3	179.7	-70.8	-59.7	-63.3	0	0	112.3	A29 S30 T35 S36 Y37 D480	A29-M33 WeakPolarHBondContact O-CG 3.47Å; A29-M33 PolarHBondContact O-N 3.49Å; A29-M33 VanDerWaalsContact O-N 3.14Å; S30-M33 PolarHBondContact O-N 3.18Å; S30-M33 VanDerWaalsContact O-N 3.09Å; M33-T35 PolarHBondContact O-N 3.46Å; M33-T35 VanDerWaalsContact O-N 3.13Å; M33-S36 PolarHBondContact O-N 3.16Å; M33-S36 VanDerWaalsContact O-N 3.17Å; M33-Y37 HydrophobicContact CE-CE2 4.38Å; M33-D480 HydrophobicContact CE-CB 3.45Å; M33-D480 VanDerWaalsContact CE-CB 3.45Å
34	S	54.2	Low	66.3	Low	66 Å²	66	81.1 Å²	81.1	46%	0.462	44%	0.44	S	S	.	.	H	α-helix	trans	-64.3	-16.6	176.7	84	0	0	0	0	113.6	S30 R31	S30-S34 PolarHBondContact O-N 3.1Å; R31-S34 PolarHBondContact O-OG 3.27Å
35	T	66.7	Low	69.5	Low	113 Å²	113	76.4 Å²	76.4	69%	0.693	41%	0.405	S	S	*	.	H	α-helix	trans	-86.8	-17	177.1	56.4	0	0	0	0	114.4	K32 M33	K32-T35 PolarHBondContact O-N 3.37Å; K32-T35 PolarHBondContact O-OG1 3.47Å; M33-T35 PolarHBondContact O-N 3.46Å; M33-T35 VanDerWaalsContact O-N 3.13Å
36	S	84.3	Confident	72.3	Confident	82 Å²	82	69.4 Å²	69.4	57%	0.573	38%	0.378	S	S	*	.	H	α-helix	trans	-89.2	-21	-175.2	-60.8	0	0	0	0	114	M33	M33-S36 PolarHBondContact O-N 3.16Å; M33-S36 VanDerWaalsContact O-N 3.17Å
37	Y	93.5	Very high	75.4	Confident	10 Å²	10	64.8 Å²	64.8	4%	0.039	35%	0.353	C	S	.	.	S	Bend	trans	-121.3	126.6	-177.4	-68.1	-90	0	0	0	110	M33 I39 I226 V476 L479 D480 R483 L539	M33-Y37 HydrophobicContact CE-CE2 4.38Å; Y37-I39 PolarHBondContact O-N 3.05Å; Y37-I226 HydrophobicContact CD1-CG1 4.18Å; Y37-I226 HydrophobicContact CG-CG1 4.41Å; Y37-V476 HydrophobicContact CD2-CG1 3.65Å; Y37-V476 HydrophobicContact CE2-CG1 4.26Å; Y37-V476 HydrophobicContact CG-CG1 3.97Å; Y37-L479 HydrophobicContact CD1-CD2 4.36Å; Y37-L479 HydrophobicContact CE1-CD2 3.53Å; Y37-D480 HydrophobicContact CE2-CB 3.91Å; Y37-D480 WeakPolarHBondContact CE2-OD1 3.28Å; Y37-D480 PolarHBondContact OH-OD1 3.4Å; Y37-R483 PolarHBondContact OH-NH1 3.38Å; Y37-R483 VanDerWaalsContact OH-NH1 3.16Å; Y37-L539 HydrophobicContact CD1-CD1 4.27Å; Y37-L539 HydrophobicContact CE1-CD1 3.9Å; Y37-L539 HydrophobicContact CE1-CD2 3.82Å
38	K	94.8	Very high	78.2	Confident	145 Å²	145	61 Å²	61	63%	0.63	33%	0.326	S	S	*	.			trans	-66.6	117.4	172.8	179.5	-174.9	174.4	-168.6	0	108.8	V40 I226	K38-V40 HydrophobicContact CD-CG2 4.5Å; K38-V40 HydrophobicContact CG-CG2 4.33Å; K38-I226 PolarHBondContact O-N 2.86Å
39	I	96	Very high	81.2	Confident	62 Å²	62	58 Å²	58	32%	0.318	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.3	174.7	-60.9	172	0	0	0	109.4	Y37 I226 R228	Y37-I39 PolarHBondContact O-N 3.05Å; I39-I226 CarbonylContact C-O 3.58Å; I39-I226 VanDerWaalsContact CA-O 3.26Å; I39-I226 WeakPolarHBondContact CA-O 3.34Å; I39-I226 HydrophobicContact CG1-CB 4.28Å; I39-I226 HydrophobicContact CG1-CG2 4.43Å; I39-R228 HydrophobicContact CG2-CG 4.12Å
40	V	97.5	Very high	83.9	Confident	39 Å²	39	56.2 Å²	56.2	24%	0.236	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.9	175.8	-172.3	0	0	0	0	109.5	K38 H42 I226 H227 R228	K38-V40 HydrophobicContact CD-CG2 4.5Å; K38-V40 HydrophobicContact CG-CG2 4.33Å; V40-H42 VanDerWaalsContact CG1-NE2 3.33Å; V40-H42 WeakPolarHBondContact CG1-NE2 3.49Å; V40-H42 PolarHBondContact O-CD2 2.9Å; V40-I226 PolarHBondContact N-O 3.39Å; V40-H227 CarbonylContact O-C 3.56Å; V40-H227 VanDerWaalsContact O-CA 3.3Å; V40-H227 WeakPolarHBondContact O-CA 3.47Å; V40-R228 PolarHBondContact O-N 3.23Å
41	D	97.8	Very high	86.5	Confident	96 Å²	96	55.3 Å²	55.3	51%	0.513	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.2	-179.9	-70.1	-27.9	0	0	0	111.8	R228	D41-R228 VanDerWaalsContact CG-NH2 3.3Å; D41-R228 WeakPolarHBondContact OD1-CB 3.39Å; D41-R228 IonicContact OD1-CZ 3.27Å; D41-R228 VanDerWaalsContact OD1-CZ 3.27Å; D41-R228 IonicContact OD1-NE 3.9Å; D41-R228 PolarHBondContact OD1-NE 2.92Å; D41-R228 IonicContact OD1-NH2 3.01Å; D41-R228 PolarHBondContact OD1-NH2 3.27Å; D41-R228 IonicContact OD2-CZ 3.79Å; D41-R228 IonicContact OD2-NE 3.88Å; D41-R228 IonicContact OD2-NH2 2.8Å; D41-R228 PolarHBondContact OD2-NH2 3.23Å
42	H	98.1	Very high	89.2	Confident	37 Å²	37	46.6 Å²	46.6	17%	0.171	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	153.4	178.9	-64.4	-86.5	0	0	0	110.7	V40 Y44 F198 H227 R228 F229 R230	V40-H42 VanDerWaalsContact CG1-NE2 3.33Å; V40-H42 WeakPolarHBondContact CG1-NE2 3.49Å; V40-H42 PolarHBondContact O-CD2 2.9Å; H42-Y44 HydrophobicContact CB-CD2 4.08Å; H42-Y44 HydrophobicContact CB-CE2 3.86Å; H42-F198 AromaticContact CE1-CE1 3.74Å; H42-F198 AromaticContact ND1-CE1 3.92Å; H42-F198 AromaticContact ND1-CZ 3.76Å; H42-H227 AromaticContact CD2-ND1 3.52Å; H42-H227 AromaticContact CE1-ND1 3.78Å; H42-H227 AromaticContact NE2-CE1 3.54Å; H42-H227 AromaticContact NE2-CG 3.82Å; H42-H227 AromaticContact NE2-ND1 2.81Å; H42-H227 PolarHBondContact NE2-ND1 3.18Å; H42-R228 PolarHBondContact N-O 2.81Å; H42-F229 HydrophobicContact CB-CD1 3.76Å; H42-F229 HydrophobicContact CB-CE1 4.15Å; H42-F229 HydrophobicContact CB-CG 4.41Å; H42-F229 AromaticContact CG-CE1 3.9Å; H42-R230 WeakPolarHBondContact O-CB 3.4Å; H42-R230 PolarHBondContact O-N 2.97Å
43	S	98	Very high	91.6	Very high	47 Å²	47	39.1 Å²	39.1	33%	0.329	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	119.8	176.8	-66	0	0	0	0	110.7	K68 R230	S43-K68 PolarHBondContact O-NZ 2.8Å; S43-K68 VanDerWaalsContact O-NZ 3.16Å; S43-R230 PolarHBondContact OG-NE 3.43Å; S43-R230 PolarHBondContact OG-NH2 2.8Å
44	Y	98.1	Very high	93.6	Very high	28 Å²	28	37.1 Å²	37.1	11%	0.11	21%	0.214	C	C	.	.			trans	-138.5	149.9	-176.5	-73.4	-86.9	0	0	0	109.9	H42 V46 K68 A70 A196 F198 F229 R230 T231 L464	H42-Y44 HydrophobicContact CB-CD2 4.08Å; H42-Y44 HydrophobicContact CB-CE2 3.86Å; Y44-V46 VanDerWaalsContact C-N 3.27Å; Y44-V46 PolarHBondContact O-N 3.36Å; Y44-K68 HydrophobicContact CD1-CD 4.02Å; Y44-K68 HydrophobicContact CD1-CG 3.78Å; Y44-K68 HydrophobicContact CE1-CD 4.27Å; Y44-K68 HydrophobicContact CE1-CG 4.1Å; Y44-A70 HydrophobicContact CD1-CB 3.73Å; Y44-A70 HydrophobicContact CD2-CB 3.6Å; Y44-A70 HydrophobicContact CE1-CB 3.93Å; Y44-A70 HydrophobicContact CE2-CB 3.78Å; Y44-A70 HydrophobicContact CG-CB 3.59Å; Y44-A196 HydrophobicContact CE1-CB 3.62Å; Y44-F198 AromaticContact CE2-CE2 3.84Å; Y44-F198 HydrophobicContact CE2-CE2 3.84Å; Y44-F198 AromaticContact CE2-CZ 3.94Å; Y44-F198 HydrophobicContact CE2-CZ 3.94Å; Y44-F198 AromaticContact CZ-CE2 3.77Å; Y44-F198 AromaticContact CZ-CZ 3.99Å; Y44-F198 WeakPolarHBondContact OH-CE2 3.21Å; Y44-F198 WeakPolarHBondContact OH-CZ 3.47Å; Y44-F229 HydrophobicContact CD2-CD1 4.41Å; Y44-F229 HydrophobicContact CE2-CD1 4.44Å; Y44-R230 PolarHBondContact N-O 3.25Å; Y44-T231 WeakPolarHBondContact O-CA 3.33Å; Y44-T231 VanDerWaalsContact O-CB 3.29Å; Y44-T231 WeakPolarHBondContact O-CB 3.28Å; Y44-T231 PolarHBondContact O-OG1 2.89Å; Y44-L464 WeakPolarHBondContact O-CD2 3.17Å
45	D	98	Very high	95.7	Very high	22 Å²	22	34 Å²	34	12%	0.118	19%	0.192	C	C	.	.	S	Bend	trans	-66	-37.7	176	-60.9	-34.7	0	0	0	110.5	F67 K68 T231 G461	D45-F67 HydrophobicContact CB-CB 4.22Å; D45-F67 HydrophobicContact CB-CD1 3.82Å; D45-K68 PolarHBondContact N-O 3.38Å; D45-K68 WeakPolarHBondContact OD2-CB 3.47Å; D45-K68 PolarHBondContact OD2-N 3.08Å; D45-T231 PolarHBondContact O-OG1 3.01Å; D45-G461 PolarHBondContact OD1-N 2.82Å; D45-G461 PolarHBondContact OD2-N 3.35Å
46	V	98.5	Very high	97.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.9	178	-169.5	0	0	0	0	111	Y44 L62 F67 K68 T69 A70 T231 N233 I235 I454	Y44-V46 VanDerWaalsContact C-N 3.27Å; Y44-V46 PolarHBondContact O-N 3.36Å; V46-L62 HydrophobicContact CB-CD1 3.96Å; V46-L62 HydrophobicContact CG1-CD1 3.5Å; V46-L62 HydrophobicContact CG1-CD2 4.44Å; V46-L62 HydrophobicContact CG2-CD1 4.29Å; V46-L62 HydrophobicContact CG2-CD2 3.91Å; V46-F67 HydrophobicContact CG2-CB 4.25Å; V46-F67 HydrophobicContact CG2-CD1 4.14Å; V46-F67 HydrophobicContact CG2-CG 4.32Å; V46-K68 PolarHBondContact N-O 3.38Å; V46-T69 HydrophobicContact CB-CG2 4.4Å; V46-T69 WeakPolarHBondContact O-CA 3.45Å; V46-A70 PolarHBondContact O-N 2.75Å; V46-T231 VanDerWaalsContact CA-OG1 3.32Å; V46-T231 WeakPolarHBondContact CA-OG1 3.36Å; V46-T231 PolarHBondContact N-OG1 2.97Å; V46-N233 WeakPolarHBondContact CA-O 3.47Å; V46-N233 HydrophobicContact CG1-CB 4.24Å; V46-N233 WeakPolarHBondContact CG1-O 3.35Å; V46-N233 HydrophobicContact CG2-CB 4.29Å; V46-I235 HydrophobicContact CG1-CD1 4.05Å; V46-I235 HydrophobicContact CG1-CG1 4.36Å; V46-I454 HydrophobicContact CG1-CD1 4Å; V46-I454 HydrophobicContact CG2-CD1 4.39Å; V46-I454 HydrophobicContact CG2-CG2 3.96Å
47	V	98.8	Very high	97.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.1	171.5	178.4	0	0	0	0	109.4	V49 A70 V72 V216 F229 T231 N233 T234 I235	V47-V49 HydrophobicContact CG1-CG2 4.27Å; V47-A70 WeakPolarHBondContact CA-O 3.38Å; V47-A70 HydrophobicContact CG2-CB 4.4Å; V47-V72 HydrophobicContact CG1-CG2 3.98Å; V47-V216 HydrophobicContact CG1-CG2 3.92Å; V47-F229 HydrophobicContact CG1-CB 4.21Å; V47-F229 HydrophobicContact CG2-CB 3.78Å; V47-T231 HydrophobicContact CB-CG2 3.82Å; V47-T231 HydrophobicContact CG2-CG2 3.51Å; V47-N233 PolarHBondContact N-O 3.02Å; V47-T234 CarbonylContact O-C 3.13Å; V47-T234 WeakPolarHBondContact O-CA 3.13Å; V47-I235 PolarHBondContact O-N 3.14Å
48	V	98.9	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.3	173.1	-176.1	0	0	0	0	108.7	A59 L62 T69 A70 V71 V72 I235	V48-A59 HydrophobicContact CG2-CB 4.35Å; V48-L62 HydrophobicContact CG2-CD1 4.08Å; V48-T69 HydrophobicContact CG2-CG2 3.95Å; V48-A70 PolarHBondContact N-O 2.82Å; V48-V71 HydrophobicContact CB-CG2 4.32Å; V48-V71 CarbonylContact O-C 3.55Å; V48-V71 WeakPolarHBondContact O-CA 3.35Å; V48-V72 PolarHBondContact O-N 3.03Å; V48-I235 HydrophobicContact CG2-CB 4.38Å; V48-I235 HydrophobicContact CG2-CD1 4.12Å
49	V	98.9	Very high	98.3	Very high	6 Å²	6	17.5 Å²	17.5	4%	0.036	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.2	176.4	-171.7	0	0	0	0	109.6	V47 V72 A203 V216 I235 L236 A237 T238 M261	V47-V49 HydrophobicContact CG1-CG2 4.27Å; V49-V72 CarbonylContact C-O 3.29Å; V49-V72 WeakPolarHBondContact CA-O 3.5Å; V49-A203 HydrophobicContact CG1-CB 3.52Å; V49-V216 HydrophobicContact CG2-CG1 3.91Å; V49-V216 HydrophobicContact CG2-CG2 4.05Å; V49-I235 PolarHBondContact N-O 3.4Å; V49-L236 HydrophobicContact CB-CD2 3.92Å; V49-L236 HydrophobicContact CG2-CD2 4.05Å; V49-A237 CarbonylContact O-C 3.14Å; V49-A237 WeakPolarHBondContact O-CA 3.33Å; V49-A237 PolarHBondContact O-N 3.21Å; V49-T238 HydrophobicContact CB-CG2 4.42Å; V49-T238 HydrophobicContact CG1-CG2 3.87Å; V49-M261 HydrophobicContact CG1-CE 4.29Å
50	G	98.8	Very high	98.3	Very high	10 Å²	10	14.5 Å²	14.5	10%	0.103	9%	0.085	C	C	.	.			trans	109.5	135.7	-175.1	0	0	0	0	0	112.2	G55 V72	G50-G55 WeakPolarHBondContact O-CA 3.45Å; G50-V72 PolarHBondContact N-O 3.24Å
51	A	98.7	Very high	98.3	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	8%	0.079	C	C	.	.			trans	-119.6	32.4	-178.1	0	0	0	0	0	112.8	L56 V71 T73 P77 S80	A51-L56 HydrophobicContact CB-CD2 4.22Å; A51-L56 HydrophobicContact CB-CG 4.46Å; A51-L56 WeakPolarHBondContact O-CD1 3.42Å; A51-L56 WeakPolarHBondContact O-CG 3.37Å; A51-V71 HydrophobicContact CB-CG1 3.96Å; A51-T73 HydrophobicContact CB-CG2 3.8Å; A51-P77 HydrophobicContact CB-CB 3.79Å; A51-P77 HydrophobicContact CB-CG 3.83Å; A51-S80 PolarHBondContact O-OG 2.99Å
52	G	98.6	Very high	98.3	Very high	11 Å²	11	8.6 Å²	8.6	11%	0.113	6%	0.055	C	C	.	.	S	Bend	trans	-74.9	-170.9	164.4	0	0	0	0	0	111.9	A54 G55 L56 S80	G52-A54 VanDerWaalsContact C-N 3.31Å; G52-A54 PolarHBondContact O-N 2.84Å; G52-G55 PolarHBondContact O-N 3Å; G52-L56 WeakPolarHBondContact O-CG 3.3Å; G52-L56 PolarHBondContact O-N 2.8Å; G52-S80 PolarHBondContact N-OG 3.07Å
53	G	98.5	Very high	98.2	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-54.8	-42.6	-177.2	0	0	0	0	0	114	R57 T82	G53-R57 WeakPolarHBondContact O-CB 3.25Å; G53-R57 PolarHBondContact O-N 3.01Å; G53-T82 PolarHBondContact N-OG1 3.37Å; G53-T82 VanDerWaalsContact N-OG1 3.14Å
54	A	98.8	Very high	98	Very high	4 Å²	4	10.7 Å²	10.7	3%	0.033	6%	0.061	C	C	.	.	H	α-helix	trans	-67.8	-47.2	179.6	0	0	0	0	0	112.4	G52 R57 A58 A237 A421 L443	G52-A54 VanDerWaalsContact C-N 3.31Å; G52-A54 PolarHBondContact O-N 2.84Å; A54-R57 PolarHBondContact O-N 3.43Å; A54-A58 WeakPolarHBondContact O-CB 3.35Å; A54-A58 PolarHBondContact O-N 3.11Å; A54-A237 HydrophobicContact CB-CB 4.26Å; A54-A421 HydrophobicContact CB-CB 4.18Å; A54-L443 WeakPolarHBondContact CA-O 3.47Å; A54-L443 HydrophobicContact CB-CB 4.14Å; A54-L443 HydrophobicContact CB-CD2 4.1Å
55	G	98.7	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.8	-44.3	-179.8	0	0	0	0	0	112.7	G50 G52 A58 A59	G50-G55 WeakPolarHBondContact O-CA 3.45Å; G52-G55 PolarHBondContact O-N 3Å; G55-A58 PolarHBondContact O-N 2.96Å; G55-A59 WeakPolarHBondContact O-CB 3.24Å; G55-A59 PolarHBondContact O-N 3.35Å
56	L	98.5	Very high	97.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.8	-40.9	175.9	-68	175.5	0	0	0	112	A51 G52 A58 A59 M60 P77 L183 L186 Y187 T190 Y197	A51-L56 HydrophobicContact CB-CD2 4.22Å; A51-L56 HydrophobicContact CB-CG 4.46Å; A51-L56 WeakPolarHBondContact O-CD1 3.42Å; A51-L56 WeakPolarHBondContact O-CG 3.37Å; G52-L56 WeakPolarHBondContact O-CG 3.3Å; G52-L56 PolarHBondContact O-N 2.8Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 2.94Å; L56-A59 PolarHBondContact O-N 3.4Å; L56-M60 VanDerWaalsContact O-CB 3.28Å; L56-M60 WeakPolarHBondContact O-CB 3.46Å; L56-M60 PolarHBondContact O-N 3.48Å; L56-P77 HydrophobicContact CD1-CB 4.36Å; L56-P77 HydrophobicContact CD2-CB 4.39Å; L56-L183 HydrophobicContact CD1-CD1 3.74Å; L56-L186 HydrophobicContact CB-CB 4.09Å; L56-L186 HydrophobicContact CD1-CB 4.22Å; L56-Y187 HydrophobicContact CD2-CD2 4.45Å; L56-T190 HydrophobicContact CB-CG2 4.46Å; L56-T190 HydrophobicContact CD2-CG2 4.29Å; L56-Y197 HydrophobicContact CD2-CE1 4.07Å; L56-Y197 WeakPolarHBondContact CD2-OH 3.4Å
57	R	98.5	Very high	97.7	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.011	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-39.2	176.4	-177.5	67.2	-166.4	80	-15.4	111.9	G53 A54 G61 E134 L186 V444 R448	G53-R57 WeakPolarHBondContact O-CB 3.25Å; G53-R57 PolarHBondContact O-N 3.01Å; A54-R57 PolarHBondContact O-N 3.43Å; R57-G61 PolarHBondContact O-N 2.88Å; R57-G61 VanDerWaalsContact O-N 3.14Å; R57-E134 IonicContact CZ-OE2 2.7Å; R57-E134 VanDerWaalsContact CZ-OE2 3.25Å; R57-E134 IonicContact NE-OE2 2.89Å; R57-E134 PolarHBondContact NE-OE2 3.07Å; R57-E134 VanDerWaalsContact NH2-CD 3.27Å; R57-E134 IonicContact NH2-OE1 3.54Å; R57-E134 PolarHBondContact NH2-OE1 3.35Å; R57-E134 VanDerWaalsContact NH2-OE1 3.11Å; R57-E134 IonicContact NH2-OE2 2.77Å; R57-E134 PolarHBondContact NH2-OE2 3.23Å; R57-L186 HydrophobicContact CB-CD2 4.48Å; R57-V444 HydrophobicContact CG-CB 4.37Å; R57-V444 WeakPolarHBondContact CG-O 3.22Å; R57-R448 HydrophobicContact CG-CB 4.18Å; R57-R448 VanDerWaalsContact NH2-CD 3.27Å
58	A	98.5	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-51.8	174.9	0	0	0	0	0	111.3	A54 G55 L56 M60 G61 L62 I235 G447	A54-A58 WeakPolarHBondContact O-CB 3.35Å; A54-A58 PolarHBondContact O-N 3.11Å; G55-A58 PolarHBondContact O-N 2.96Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 2.94Å; A58-M60 VanDerWaalsContact C-N 3.32Å; A58-M60 PolarHBondContact O-N 2.81Å; A58-G61 PolarHBondContact O-N 3.15Å; A58-G61 VanDerWaalsContact O-N 3.16Å; A58-L62 VanDerWaalsContact O-CG 3.31Å; A58-L62 WeakPolarHBondContact O-CG 3.47Å; A58-L62 PolarHBondContact O-N 2.99Å; A58-I235 HydrophobicContact CB-CD1 4.04Å; A58-G447 WeakPolarHBondContact CA-O 3.34Å; A58-G447 VanDerWaalsContact CB-O 3.32Å; A58-G447 WeakPolarHBondContact CB-O 3.47Å
59	A	98.1	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.3	-47.8	178.8	0	0	0	0	0	111.5	V48 G55 L56 G61 L62 V63 V71	V48-A59 HydrophobicContact CG2-CB 4.35Å; G55-A59 WeakPolarHBondContact O-CB 3.24Å; G55-A59 PolarHBondContact O-N 3.35Å; L56-A59 PolarHBondContact O-N 3.4Å; A59-G61 PolarHBondContact O-N 3.19Å; A59-L62 PolarHBondContact O-N 2.83Å; A59-V63 WeakPolarHBondContact O-CG2 3.33Å; A59-V63 PolarHBondContact O-N 3.5Å; A59-V71 HydrophobicContact CB-CG2 3.49Å; A59-V71 VanDerWaalsContact CB-CG2 3.49Å
60	M	96	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-46.6	176.9	-174.7	-175.1	74.9	0	0	112.6	L56 A58 L62 V63 E64 Y138 R189 T190 Y193	L56-M60 VanDerWaalsContact O-CB 3.28Å; L56-M60 WeakPolarHBondContact O-CB 3.46Å; L56-M60 PolarHBondContact O-N 3.48Å; A58-M60 VanDerWaalsContact C-N 3.32Å; A58-M60 PolarHBondContact O-N 2.81Å; M60-L62 VanDerWaalsContact C-N 3.32Å; M60-L62 PolarHBondContact O-N 3.08Å; M60-V63 VanDerWaalsContact O-CG2 3.28Å; M60-V63 WeakPolarHBondContact O-CG2 3.31Å; M60-E64 VanDerWaalsContact O-CB 3.26Å; M60-E64 WeakPolarHBondContact O-CB 3.31Å; M60-E64 PolarHBondContact O-N 3.19Å; M60-Y138 HydrophobicContact CE-CE2 3.45Å; M60-Y138 VanDerWaalsContact CE-CE2 3.45Å; M60-Y138 WeakPolarHBondContact CE-OH 3.13Å; M60-Y138 HydrophobicContact SD-CE2 3.85Å; M60-R189 HydrophobicContact CG-CG 4.34Å; M60-R189 HydrophobicContact SD-CB 4.07Å; M60-R189 HydrophobicContact SD-CG 3.36Å; M60-R189 WeakPolarHBondContact SD-CG 3.17Å; M60-T190 HydrophobicContact CB-CG2 3.85Å; M60-T190 HydrophobicContact CG-CG2 4.49Å; M60-Y193 HydrophobicContact CG-CE2 4.04Å
61	G	96.7	Very high	97.6	Very high	10 Å²	10	18 Å²	18	10%	0.103	11%	0.111	C	C	.	.	H	α-helix	trans	-65.8	-34.2	179	0	0	0	0	0	113.2	R57 A58 A59 A65	R57-G61 PolarHBondContact O-N 2.88Å; R57-G61 VanDerWaalsContact O-N 3.14Å; A58-G61 PolarHBondContact O-N 3.15Å; A58-G61 VanDerWaalsContact O-N 3.16Å; A59-G61 PolarHBondContact O-N 3.19Å; G61-A65 WeakPolarHBondContact O-CB 3.34Å; G61-A65 PolarHBondContact O-N 3Å; G61-A65 VanDerWaalsContact O-N 3.08Å
62	L	97.8	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-71.9	-45.4	179.3	-72.3	164.8	0	0	0	112.5	V46 V48 A58 A59 M60 E64 A65 G66 F67 T69 I235 A451 I454	V46-L62 HydrophobicContact CB-CD1 3.96Å; V46-L62 HydrophobicContact CG1-CD1 3.5Å; V46-L62 HydrophobicContact CG1-CD2 4.44Å; V46-L62 HydrophobicContact CG2-CD1 4.29Å; V46-L62 HydrophobicContact CG2-CD2 3.91Å; V48-L62 HydrophobicContact CG2-CD1 4.08Å; A58-L62 VanDerWaalsContact O-CG 3.31Å; A58-L62 WeakPolarHBondContact O-CG 3.47Å; A58-L62 PolarHBondContact O-N 2.99Å; A59-L62 PolarHBondContact O-N 2.83Å; M60-L62 VanDerWaalsContact C-N 3.32Å; M60-L62 PolarHBondContact O-N 3.08Å; L62-E64 VanDerWaalsContact C-N 3.32Å; L62-A65 CarbonylContact O-C 3.51Å; L62-A65 PolarHBondContact O-N 2.99Å; L62-G66 PolarHBondContact O-N 3.04Å; L62-F67 HydrophobicContact CB-CB 4.33Å; L62-F67 HydrophobicContact CD2-CD2 4.17Å; L62-F67 HydrophobicContact CD2-CG 4.39Å; L62-F67 WeakPolarHBondContact O-CB 3.5Å; L62-F67 PolarHBondContact O-N 3.41Å; L62-T69 HydrophobicContact CB-CG2 4.34Å; L62-T69 WeakPolarHBondContact CB-OG1 3.23Å; L62-T69 HydrophobicContact CD1-CG2 3.99Å; L62-I235 HydrophobicContact CD1-CD1 3.71Å; L62-A451 HydrophobicContact CD2-CB 4.15Å; L62-A451 HydrophobicContact CG-CB 3.92Å; L62-I454 HydrophobicContact CD2-CB 4.1Å; L62-I454 HydrophobicContact CD2-CD1 4.13Å; L62-I454 HydrophobicContact CD2-CG2 4.01Å
63	V	96.1	Very high	97.6	Very high	19 Å²	19	17.8 Å²	17.8	12%	0.115	11%	0.107	C	C	.	.	H	α-helix	trans	-68.2	-33.6	177	-61.7	0	0	0	0	111.7	A59 M60 A65 G66 Y193 C195	A59-V63 WeakPolarHBondContact O-CG2 3.33Å; A59-V63 PolarHBondContact O-N 3.5Å; M60-V63 VanDerWaalsContact O-CG2 3.28Å; M60-V63 WeakPolarHBondContact O-CG2 3.31Å; V63-A65 VanDerWaalsContact C-N 3.3Å; V63-A65 PolarHBondContact O-N 3.03Å; V63-G66 PolarHBondContact O-N 3.11Å; V63-G66 VanDerWaalsContact O-N 3.1Å; V63-Y193 HydrophobicContact CB-CG 4.49Å; V63-Y193 HydrophobicContact CG2-CD1 3.84Å; V63-Y193 HydrophobicContact CG2-CD2 4.12Å; V63-Y193 HydrophobicContact CG2-CG 3.53Å; V63-C195 HydrophobicContact CG1-CB 4.07Å
64	E	94.1	Very high	97.6	Very high	109 Å²	109	19.2 Å²	19.2	51%	0.509	11%	0.113	S	C	.	.	H	α-helix	trans	-63.4	-36.7	171.2	-176.7	174.1	-151.1	0	0	111.8	M60 L62 G66 Y193	M60-E64 VanDerWaalsContact O-CB 3.26Å; M60-E64 WeakPolarHBondContact O-CB 3.31Å; M60-E64 PolarHBondContact O-N 3.19Å; L62-E64 VanDerWaalsContact C-N 3.32Å; E64-G66 PolarHBondContact O-N 2.91Å; E64-Y193 HydrophobicContact CB-CE1 4.1Å; E64-Y193 HydrophobicContact CG-CE1 4.49Å
65	A	95.8	Very high	97.6	Very high	43 Å²	43	20.8 Å²	20.8	36%	0.355	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4.1	173.6	0	0	0	0	0	114.1	G61 L62 V63 F67 A455	G61-A65 WeakPolarHBondContact O-CB 3.34Å; G61-A65 PolarHBondContact O-N 3Å; G61-A65 VanDerWaalsContact O-N 3.08Å; L62-A65 CarbonylContact O-C 3.51Å; L62-A65 PolarHBondContact O-N 2.99Å; V63-A65 VanDerWaalsContact C-N 3.3Å; V63-A65 PolarHBondContact O-N 3.03Å; A65-F67 HydrophobicContact CB-CD2 3.87Å; A65-F67 HydrophobicContact CB-CE2 4Å; A65-A455 HydrophobicContact CB-CB 4.22Å
66	G	95.9	Very high	97.6	Very high	50 Å²	50	24.1 Å²	24.1	52%	0.515	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	5.4	174.5	0	0	0	0	0	115.9	L62 V63 E64 P460	L62-G66 PolarHBondContact O-N 3.04Å; V63-G66 PolarHBondContact O-N 3.11Å; V63-G66 VanDerWaalsContact O-N 3.1Å; E64-G66 PolarHBondContact O-N 2.91Å; G66-P460 WeakPolarHBondContact O-CB 3.41Å
67	F	97.6	Very high	97.6	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.039	14%	0.135	C	C	.	.			trans	-76.1	132.9	178.4	-69.4	-89.3	0	0	0	111.8	D45 V46 L62 A65 T69 I454 A455 C458 P460	D45-F67 HydrophobicContact CB-CB 4.22Å; D45-F67 HydrophobicContact CB-CD1 3.82Å; V46-F67 HydrophobicContact CG2-CB 4.25Å; V46-F67 HydrophobicContact CG2-CD1 4.14Å; V46-F67 HydrophobicContact CG2-CG 4.32Å; L62-F67 HydrophobicContact CB-CB 4.33Å; L62-F67 HydrophobicContact CD2-CD2 4.17Å; L62-F67 HydrophobicContact CD2-CG 4.39Å; L62-F67 WeakPolarHBondContact O-CB 3.5Å; L62-F67 PolarHBondContact O-N 3.41Å; A65-F67 HydrophobicContact CB-CD2 3.87Å; A65-F67 HydrophobicContact CB-CE2 4Å; F67-T69 PolarHBondContact O-N 2.81Å; F67-T69 PolarHBondContact O-OG1 3Å; F67-I454 HydrophobicContact CD1-CG2 4.47Å; F67-I454 HydrophobicContact CE1-CG2 4.01Å; F67-I454 HydrophobicContact CE2-CG2 4.46Å; F67-I454 HydrophobicContact CZ-CG2 4.01Å; F67-A455 HydrophobicContact CE2-CB 3.9Å; F67-A455 HydrophobicContact CZ-CB 4.49Å; F67-C458 HydrophobicContact CE1-CB 4.18Å; F67-C458 HydrophobicContact CZ-CB 4.45Å; F67-P460 HydrophobicContact CD1-CB 4.29Å; F67-P460 HydrophobicContact CD1-CG 3.93Å; F67-P460 HydrophobicContact CD2-CG 4.08Å; F67-P460 HydrophobicContact CE1-CG 4.01Å; F67-P460 HydrophobicContact CE2-CG 4.13Å; F67-P460 HydrophobicContact CG-CG 3.98Å; F67-P460 HydrophobicContact CZ-CG 4.11Å
68	K	97.4	Very high	97.6	Very high	118 Å²	118	24.3 Å²	24.3	51%	0.513	14%	0.137	S	C	.	.			trans	-69.5	103.4	170.3	-167.4	-166.6	175.8	-170	0	109.2	S43 Y44 D45 V46	S43-K68 PolarHBondContact O-NZ 2.8Å; S43-K68 VanDerWaalsContact O-NZ 3.16Å; Y44-K68 HydrophobicContact CD1-CD 4.02Å; Y44-K68 HydrophobicContact CD1-CG 3.78Å; Y44-K68 HydrophobicContact CE1-CD 4.27Å; Y44-K68 HydrophobicContact CE1-CG 4.1Å; D45-K68 PolarHBondContact N-O 3.38Å; D45-K68 WeakPolarHBondContact OD2-CB 3.47Å; D45-K68 PolarHBondContact OD2-N 3.08Å; V46-K68 PolarHBondContact N-O 3.38Å
69	T	98.1	Very high	97.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.2	-169.1	-55	0	0	0	0	111.8	V46 V48 L62 F67 A196	V46-T69 HydrophobicContact CB-CG2 4.4Å; V46-T69 WeakPolarHBondContact O-CA 3.45Å; V48-T69 HydrophobicContact CG2-CG2 3.95Å; L62-T69 HydrophobicContact CB-CG2 4.34Å; L62-T69 WeakPolarHBondContact CB-OG1 3.23Å; L62-T69 HydrophobicContact CD1-CG2 3.99Å; F67-T69 PolarHBondContact O-N 2.81Å; F67-T69 PolarHBondContact O-OG1 3Å; T69-A196 PolarHBondContact O-N 3.02Å; T69-A196 VanDerWaalsContact O-N 3.14Å
70	A	98.6	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.2	168.8	0	0	0	0	0	111	Y44 V46 V47 V48 A196 F198 F229	Y44-A70 HydrophobicContact CD1-CB 3.73Å; Y44-A70 HydrophobicContact CD2-CB 3.6Å; Y44-A70 HydrophobicContact CE1-CB 3.93Å; Y44-A70 HydrophobicContact CE2-CB 3.78Å; Y44-A70 HydrophobicContact CG-CB 3.59Å; V46-A70 PolarHBondContact O-N 2.75Å; V47-A70 WeakPolarHBondContact CA-O 3.38Å; V47-A70 HydrophobicContact CG2-CB 4.4Å; V48-A70 PolarHBondContact N-O 2.82Å; A70-A196 CarbonylContact C-O 3.38Å; A70-A196 WeakPolarHBondContact CA-O 3.44Å; A70-F198 HydrophobicContact CB-CD2 4.06Å; A70-F198 HydrophobicContact CB-CE2 3.86Å; A70-F229 HydrophobicContact CB-CD1 4.42Å
71	V	98.7	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108	172.7	-179.4	0	0	0	0	108.8	V48 A51 A59 C195 A196 Y197 F198	V48-V71 HydrophobicContact CB-CG2 4.32Å; V48-V71 CarbonylContact O-C 3.55Å; V48-V71 WeakPolarHBondContact O-CA 3.35Å; A51-V71 HydrophobicContact CB-CG1 3.96Å; A59-V71 HydrophobicContact CB-CG2 3.49Å; A59-V71 VanDerWaalsContact CB-CG2 3.49Å; V71-C195 WeakPolarHBondContact CG2-SG 3.38Å; V71-A196 PolarHBondContact N-O 3.21Å; V71-Y197 HydrophobicContact CB-CD1 3.89Å; V71-Y197 HydrophobicContact CB-CE1 3.94Å; V71-Y197 HydrophobicContact CG1-CD1 4Å; V71-Y197 HydrophobicContact CG1-CE1 3.87Å; V71-Y197 HydrophobicContact CG2-CE1 4.25Å; V71-F198 PolarHBondContact O-N 2.9Å
72	V	98.9	Very high	97.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119	178.2	-176.9	0	0	0	0	108.3	V47 V48 V49 G50 F198 A218 F229	V47-V72 HydrophobicContact CG1-CG2 3.98Å; V48-V72 PolarHBondContact O-N 3.03Å; V49-V72 CarbonylContact C-O 3.29Å; V49-V72 WeakPolarHBondContact CA-O 3.5Å; G50-V72 PolarHBondContact N-O 3.24Å; V72-F198 HydrophobicContact CG2-CB 4.34Å; V72-A218 HydrophobicContact CG1-CB 4.16Å; V72-F229 HydrophobicContact CG2-CD1 4.13Å; V72-F229 HydrophobicContact CG2-CD2 4.07Å; V72-F229 HydrophobicContact CG2-CE1 3.98Å; V72-F229 HydrophobicContact CG2-CE2 3.91Å; V72-F229 HydrophobicContact CG2-CG 4.17Å; V72-F229 HydrophobicContact CG2-CZ 3.86Å
73	T	98.9	Very high	97.9	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.037	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	133.5	-176.7	175.9	0	0	0	0	111.5	A51 L75 F198 L199 E200 Y201	A51-T73 HydrophobicContact CB-CG2 3.8Å; T73-L75 WeakPolarHBondContact CG2-O 3.37Å; T73-L75 PolarHBondContact O-N 3.31Å; T73-L75 PolarHBondContact OG1-N 2.78Å; T73-L75 PolarHBondContact OG1-O 2.83Å; T73-F198 PolarHBondContact N-O 3.43Å; T73-L199 HydrophobicContact CG2-CD2 3.8Å; T73-E200 VanDerWaalsContact O-CA 3.29Å; T73-E200 WeakPolarHBondContact O-CA 3.4Å; T73-E200 PolarHBondContact O-N 2.86Å; T73-Y201 CarbonylContact C-O 3.51Å; T73-Y201 PolarHBondContact O-N 2.83Å
74	K	98.7	Very high	98	Very high	31 Å²	31	39 Å²	39	14%	0.135	21%	0.207	C	C	.	.	S	Bend	trans	-73.8	-10.3	177.8	74.3	179.9	-178.8	177	0	113.8	Y201 F202 T253 T255 D257 E550	K74-Y201 WeakPolarHBondContact CA-O 3.47Å; K74-Y201 PolarHBondContact N-O 3.06Å; K74-Y201 VanDerWaalsContact N-O 3.16Å; K74-F202 HydrophobicContact CB-CD2 4.21Å; K74-F202 HydrophobicContact CD-CD2 3.98Å; K74-F202 HydrophobicContact CD-CE2 4.16Å; K74-T253 WeakPolarHBondContact CE-O 3.26Å; K74-T253 PolarHBondContact NZ-O 2.96Å; K74-T255 PolarHBondContact NZ-OG1 3.04Å; K74-D257 WeakPolarHBondContact CE-OD2 3.15Å; K74-D257 IonicContact NZ-OD1 3.64Å; K74-D257 IonicContact NZ-OD2 2.77Å; K74-D257 PolarHBondContact NZ-OD2 2.86Å; K74-E550 IonicContact NZ-OE1 2.69Å; K74-E550 PolarHBondContact NZ-OE1 3.04Å
75	L	98.6	Very high	98.2	Very high	36 Å²	36	35.2 Å²	35.2	19%	0.188	19%	0.194	C	C	.	.	S	Bend	trans	-126.8	156.4	177.2	-53.4	175.8	0	0	0	110.2	T73 R79 T253	T73-L75 WeakPolarHBondContact CG2-O 3.37Å; T73-L75 PolarHBondContact O-N 3.31Å; T73-L75 PolarHBondContact OG1-N 2.78Å; T73-L75 PolarHBondContact OG1-O 2.83Å; L75-R79 HydrophobicContact CB-CB 4.22Å; L75-R79 HydrophobicContact CD1-CB 4.37Å; L75-T253 HydrophobicContact CD1-CG2 3.87Å; L75-T253 HydrophobicContact CD2-CG2 3.7Å; L75-T253 HydrophobicContact CG-CG2 4.29Å
76	F	98.4	Very high	98.3	Very high	70 Å²	70	34.5 Å²	34.5	31%	0.307	18%	0.184	S	C	.	.			trans	-54.5	133.4	157.8	-174.6	-94.7	0	0	0	110.2	T78 R79 Y187 L199	F76-T78 VanDerWaalsContact C-N 3.33Å; F76-T78 VanDerWaalsContact CD1-OG1 3.31Å; F76-T78 WeakPolarHBondContact CD1-OG1 3.4Å; F76-T78 HydrophobicContact CE1-CG2 4.04Å; F76-T78 VanDerWaalsContact CE1-OG1 3.23Å; F76-T78 WeakPolarHBondContact CE1-OG1 3.32Å; F76-T78 PolarHBondContact O-N 3.21Å; F76-T78 VanDerWaalsContact O-N 3.09Å; F76-R79 HydrophobicContact CB-CG 4.09Å; F76-R79 HydrophobicContact CD1-CG 4.48Å; F76-R79 WeakPolarHBondContact O-CB 3.43Å; F76-R79 PolarHBondContact O-N 2.86Å; F76-Y187 HydrophobicContact CE1-CE1 4.15Å; F76-Y187 AromaticContact CZ-CE1 3.67Å; F76-Y187 HydrophobicContact CZ-CE1 3.67Å; F76-Y187 AromaticContact CZ-CZ 3.6Å; F76-Y187 WeakPolarHBondContact CZ-OH 3.48Å; F76-L199 HydrophobicContact CD2-CD1 4.07Å; F76-L199 HydrophobicContact CE2-CD1 4.28Å
77	P	98.3	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-50.9	-43.9	-165.5	-33.7	37.8	0	0	0	115.2	A51 L56 R79 S80 Y187 Y197 L199	A51-P77 HydrophobicContact CB-CB 3.79Å; A51-P77 HydrophobicContact CB-CG 3.83Å; L56-P77 HydrophobicContact CD1-CB 4.36Å; L56-P77 HydrophobicContact CD2-CB 4.39Å; P77-R79 PolarHBondContact O-N 3.05Å; P77-R79 VanDerWaalsContact O-N 3.11Å; P77-S80 VanDerWaalsContact O-CB 3.25Å; P77-S80 WeakPolarHBondContact O-CB 3.38Å; P77-S80 PolarHBondContact O-N 3.15Å; P77-S80 VanDerWaalsContact O-N 3.08Å; P77-S80 PolarHBondContact O-OG 3.02Å; P77-Y187 HydrophobicContact CB-CD2 3.71Å; P77-Y187 HydrophobicContact CB-CE2 4.05Å; P77-Y187 HydrophobicContact CB-CG 4.32Å; P77-Y187 HydrophobicContact CG-CD2 3.9Å; P77-Y187 HydrophobicContact CG-CE2 3.74Å; P77-Y197 HydrophobicContact CG-CD1 4.29Å; P77-Y197 HydrophobicContact CG-CE1 4.09Å; P77-L199 HydrophobicContact CG-CD2 4.06Å
78	T	98.4	Very high	98.3	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.043	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-74.4	1.1	-177.4	66.8	0	0	0	0	114.3	F76 V83 Y187	F76-T78 VanDerWaalsContact C-N 3.33Å; F76-T78 VanDerWaalsContact CD1-OG1 3.31Å; F76-T78 WeakPolarHBondContact CD1-OG1 3.4Å; F76-T78 HydrophobicContact CE1-CG2 4.04Å; F76-T78 VanDerWaalsContact CE1-OG1 3.23Å; F76-T78 WeakPolarHBondContact CE1-OG1 3.32Å; F76-T78 PolarHBondContact O-N 3.21Å; F76-T78 VanDerWaalsContact O-N 3.09Å; T78-V83 WeakPolarHBondContact O-CG2 3.29Å; T78-Y187 HydrophobicContact CG2-CD1 3.72Å; T78-Y187 HydrophobicContact CG2-CE1 4.45Å; T78-Y187 HydrophobicContact CG2-CG 4.01Å
79	R	98.5	Very high	98.3	Very high	173 Å²	173	26.7 Å²	26.7	65%	0.653	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-94.9	-5.6	171.2	-49.2	-54.9	-179.5	-169.9	1.1	112.8	L75 F76 P77	L75-R79 HydrophobicContact CB-CB 4.22Å; L75-R79 HydrophobicContact CD1-CB 4.37Å; F76-R79 HydrophobicContact CB-CG 4.09Å; F76-R79 HydrophobicContact CD1-CG 4.48Å; F76-R79 WeakPolarHBondContact O-CB 3.43Å; F76-R79 PolarHBondContact O-N 2.86Å; P77-R79 PolarHBondContact O-N 3.05Å; P77-R79 VanDerWaalsContact O-N 3.11Å
80	S	98.7	Very high	98.4	Very high	12 Å²	12	26.6 Å²	26.6	8%	0.084	14%	0.139	C	C	.	.	S	Bend	trans	-59.5	146.5	174.5	-57.3	0	0	0	0	111.3	A51 G52 P77 T82 V83	A51-S80 PolarHBondContact O-OG 2.99Å; G52-S80 PolarHBondContact N-OG 3.07Å; P77-S80 VanDerWaalsContact O-CB 3.25Å; P77-S80 WeakPolarHBondContact O-CB 3.38Å; P77-S80 PolarHBondContact O-N 3.15Å; P77-S80 VanDerWaalsContact O-N 3.08Å; P77-S80 PolarHBondContact O-OG 3.02Å; S80-T82 PolarHBondContact O-N 3.26Å; S80-V83 WeakPolarHBondContact O-CB 3.48Å; S80-V83 VanDerWaalsContact O-CG1 3.22Å; S80-V83 WeakPolarHBondContact O-CG1 3.37Å; S80-V83 PolarHBondContact O-N 3.09Å
81	H	98.8	Very high	98.4	Very high	46 Å²	46	26.6 Å²	26.6	21%	0.213	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-59.5	-20.9	-173.3	-168.7	51.6	0	0	0	114.6	V83 A84 T249 A251	H81-V83 PolarHBondContact O-N 2.93Å; H81-A84 WeakPolarHBondContact O-CB 3.26Å; H81-A84 PolarHBondContact O-N 3.03Å; H81-T249 PolarHBondContact CE1-O 3.4Å; H81-A251 HydrophobicContact CB-CB 4.29Å; H81-A251 PolarHBondContact CE1-N 3.18Å; H81-A251 PolarHBondContact ND1-N 2.98Å
82	T	98.7	Very high	98.4	Very high	20 Å²	20	27.2 Å²	27.2	12%	0.123	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-48	-33.6	168.2	-55.2	0	0	0	0	112.5	G53 S80 A84 A85 G179 L183 L440 L443	G53-T82 PolarHBondContact N-OG1 3.37Å; G53-T82 VanDerWaalsContact N-OG1 3.14Å; S80-T82 PolarHBondContact O-N 3.26Å; T82-A84 PolarHBondContact O-N 3.19Å; T82-A84 VanDerWaalsContact O-N 3.15Å; T82-A85 PolarHBondContact O-N 3.22Å; T82-A85 VanDerWaalsContact O-N 3.11Å; T82-G179 CarbonylContact O-C 3.58Å; T82-G179 VanDerWaalsContact O-C 3.29Å; T82-G179 WeakPolarHBondContact O-CA 3.03Å; T82-L183 HydrophobicContact CG2-CB 4.19Å; T82-L183 HydrophobicContact CG2-CD1 4.18Å; T82-L440 HydrophobicContact CG2-CD2 3.92Å; T82-L443 HydrophobicContact CG2-CD1 3.84Å
83	V	98.4	Very high	98.4	Very high	42 Å²	42	28.8 Å²	28.8	26%	0.255	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-58.3	-28.6	178.8	78.1	0	0	0	0	112.8	T78 S80 H81 H180 L183	T78-V83 WeakPolarHBondContact O-CG2 3.29Å; S80-V83 WeakPolarHBondContact O-CB 3.48Å; S80-V83 VanDerWaalsContact O-CG1 3.22Å; S80-V83 WeakPolarHBondContact O-CG1 3.37Å; S80-V83 PolarHBondContact O-N 3.09Å; H81-V83 PolarHBondContact O-N 2.93Å; V83-H180 HydrophobicContact CG2-CB 4.19Å; V83-H180 WeakPolarHBondContact O-CA 3.36Å; V83-H180 WeakPolarHBondContact O-CB 3.37Å; V83-H180 PolarHBondContact O-N 3.46Å; V83-H180 VanDerWaalsContact O-N 3.11Å; V83-L183 HydrophobicContact CB-CD2 3.68Å; V83-L183 HydrophobicContact CG2-CD2 4.31Å
84	A	98.4	Very high	98.4	Very high	45 Å²	45	29.7 Å²	29.7	37%	0.372	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-90.7	-1.5	-176.5	0	0	0	0	0	113.3	H81 T82	H81-A84 WeakPolarHBondContact O-CB 3.26Å; H81-A84 PolarHBondContact O-N 3.03Å; T82-A84 PolarHBondContact O-N 3.19Å; T82-A84 VanDerWaalsContact O-N 3.15Å
85	A	98	Very high	98.4	Very high	29 Å²	29	29.8 Å²	29.8	24%	0.24	17%	0.165	C	C	.	.			trans	-70.2	135.3	175.5	0	0	0	0	0	110.6	T82 G179 L440	T82-A85 PolarHBondContact O-N 3.22Å; T82-A85 VanDerWaalsContact O-N 3.11Å; A85-G179 VanDerWaalsContact O-CA 3.22Å; A85-G179 WeakPolarHBondContact O-CA 3.43Å; A85-G179 PolarHBondContact O-N 3.2Å; A85-L440 HydrophobicContact CB-CD1 3.92Å; A85-L440 HydrophobicContact CB-CD2 3.82Å; A85-L440 HydrophobicContact CB-CG 4.06Å
86	Q	98.1	Very high	98.4	Very high	29 Å²	29	31.7 Å²	31.7	14%	0.136	17%	0.174	C	C	.	.			trans	-109.3	-66.5	-168.2	-66.2	173.6	9.7	0	0	112.5	G88 D176 T178 L288 T290 I365	Q86-G88 PolarHBondContact O-N 3.46Å; Q86-D176 WeakPolarHBondContact CA-O 3.43Å; Q86-D176 HydrophobicContact CB-CB 4.45Å; Q86-D176 WeakPolarHBondContact CB-O 3.32Å; Q86-D176 WeakPolarHBondContact CG-O 3.36Å; Q86-D176 CarbonylContact O-C 3.58Å; Q86-T178 VanDerWaalsContact O-CB 3.31Å; Q86-T178 WeakPolarHBondContact O-CB 3.29Å; Q86-T178 PolarHBondContact O-N 3.28Å; Q86-T178 VanDerWaalsContact O-N 3.16Å; Q86-T178 PolarHBondContact O-OG1 2.97Å; Q86-L288 HydrophobicContact CG-CD2 4.33Å; Q86-L288 PolarHBondContact NE2-O 3.38Å; Q86-L288 PolarHBondContact OE1-O 3.07Å; Q86-T290 VanDerWaalsContact OE1-CB 3.25Å; Q86-I365 VanDerWaalsContact OE1-CG2 3.23Å
87	G	94.7	Very high	98.4	Very high	7 Å²	7	30.4 Å²	30.4	7%	0.072	17%	0.168	C	C	.	.	S	Bend	trans	-67.8	-26.7	-157.3	0	0	0	0	0	118.4	T171 C173 T290	G87-T171 WeakPolarHBondContact O-CG2 3.5Å; G87-C173 WeakPolarHBondContact O-CB 3.42Å; G87-T290 WeakPolarHBondContact CA-OG1 3.21Å; G87-T290 PolarHBondContact N-OG1 3.14Å
88	G	98.6	Very high	98.4	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	20%	0.203	C	C	.	.			trans	148.7	-171.8	174.8	0	0	0	0	0	115.9	Q86 C172 T178 A437	Q86-G88 PolarHBondContact O-N 3.46Å; G88-C172 CarbonylContact C-O 3.58Å; G88-C172 WeakPolarHBondContact CA-O 3.49Å; G88-T178 WeakPolarHBondContact CA-OG1 3.44Å; G88-A437 VanDerWaalsContact C-CB 3.49Å; G88-A437 WeakPolarHBondContact O-CA 3.5Å; G88-A437 WeakPolarHBondContact O-CB 3.39Å
89	V	98.8	Very high	98.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.3	174	57.8	0	0	0	0	109.3	V132 F142 C172 T178 M182 L440 L441	V89-V132 HydrophobicContact CG1-CG2 4Å; V89-V132 HydrophobicContact CG2-CG2 4.01Å; V89-F142 HydrophobicContact CG1-CE1 4Å; V89-F142 HydrophobicContact CG1-CZ 4.11Å; V89-C172 HydrophobicContact CG1-CB 4.03Å; V89-C172 PolarHBondContact N-O 2.59Å; V89-C172 VanDerWaalsContact O-CB 3.32Å; V89-C172 WeakPolarHBondContact O-CB 3.48Å; V89-C172 PolarHBondContact O-N 3.37Å; V89-T178 HydrophobicContact CG1-CG2 4.5Å; V89-M182 HydrophobicContact CB-CE 4.05Å; V89-M182 HydrophobicContact CG1-CE 4.18Å; V89-M182 HydrophobicContact CG2-CE 4.26Å; V89-L440 HydrophobicContact CB-CB 4.06Å; V89-L440 HydrophobicContact CG2-CB 4.21Å; V89-L441 HydrophobicContact CG2-CB 3.87Å
90	N	98.9	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	135.5	-177.2	-68.3	-31	0	0	0	112.1	Q158 R170 T171 G436 A437 N438	N90-Q158 VanDerWaalsContact CG-NE2 3.33Å; N90-Q158 PolarHBondContact ND2-NE2 2.83Å; N90-Q158 VanDerWaalsContact ND2-NE2 3.17Å; N90-Q158 PolarHBondContact OD1-NE2 2.83Å; N90-R170 WeakPolarHBondContact CA-O 3.37Å; N90-T171 WeakPolarHBondContact OD1-CA 3.42Å; N90-T171 WeakPolarHBondContact OD1-CB 3.34Å; N90-T171 PolarHBondContact OD1-OG1 2.89Å; N90-G436 PolarHBondContact ND2-O 2.68Å; N90-A437 PolarHBondContact N-O 2.83Å; N90-A437 VanDerWaalsContact OD1-CB 3.27Å; N90-A437 WeakPolarHBondContact OD1-CB 3.4Å; N90-N438 PolarHBondContact ND2-N 3.18Å; N90-N438 PolarHBondContact ND2-OD1 3.03Å
91	A	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.19	C	C	.	.			trans	-157.6	134.8	163.5	0	0	0	0	0	110	L93 A128 V132 Q152 R170	A91-L93 HydrophobicContact CB-CD2 4.1Å; A91-L93 HydrophobicContact CB-CG 3.99Å; A91-L93 PolarHBondContact O-N 3.29Å; A91-A128 HydrophobicContact CB-CB 4.06Å; A91-V132 HydrophobicContact CB-CB 3.98Å; A91-V132 HydrophobicContact CB-CG2 3.55Å; A91-Q152 PolarHBondContact O-NE2 3.4Å; A91-R170 PolarHBondContact N-O 3Å
92	A	98.8	Very high	98.4	Very high	13 Å²	13	34.4 Å²	34.4	11%	0.107	20%	0.198	C	C	.	.			trans	-74	67.4	175	0	0	0	0	0	111.3	D99 W101	A92-D99 VanDerWaalsContact CA-OD2 3.29Å; A92-D99 WeakPolarHBondContact CA-OD2 3.3Å; A92-D99 HydrophobicContact CB-CB 4.18Å; A92-D99 VanDerWaalsContact CB-OD2 3.3Å; A92-D99 WeakPolarHBondContact CB-OD2 3.36Å; A92-W101 HydrophobicContact CB-CB 4.32Å
93	L	98.7	Very high	98.4	Very high	33 Å²	33	35.1 Å²	35.1	17%	0.173	20%	0.198	C	C	.	.			trans	-77.4	-23.2	177.6	-59.7	-177.5	0	0	0	112.5	A91 P129 V132 L133 I150	A91-L93 HydrophobicContact CB-CD2 4.1Å; A91-L93 HydrophobicContact CB-CG 3.99Å; A91-L93 PolarHBondContact O-N 3.29Å; L93-P129 HydrophobicContact CD2-CB 3.88Å; L93-V132 HydrophobicContact CD1-CG1 4.07Å; L93-L133 HydrophobicContact CD2-CG 4.23Å; L93-I150 HydrophobicContact CD1-CB 4.24Å; L93-I150 HydrophobicContact CD1-CD1 3.95Å; L93-I150 HydrophobicContact CD1-CG2 4.4Å
94	G	98.6	Very high	98.4	Very high	26 Å²	26	33.1 Å²	33.1	27%	0.268	19%	0.186	S	C	.	.			trans	66.9	33.6	-178.4	0	0	0	0	0	113.8	E97	G94-E97 CarbonylContact C-O 3.54Å; G94-E97 VanDerWaalsContact C-O 3.32Å; G94-E97 WeakPolarHBondContact CA-O 2.9Å
95	N	98.6	Very high	98.4	Very high	33 Å²	33	31 Å²	31	18%	0.176	17%	0.169	C	C	.	.	S	Bend	trans	-82.6	-19.8	-176.8	-67	-22.8	0	0	0	113.6	K149 I150 Q152	N95-K149 HydrophobicContact CB-CB 4.23Å; N95-K149 HydrophobicContact CB-CD 4.36Å; N95-I150 WeakPolarHBondContact CB-O 3.15Å; N95-I150 PolarHBondContact ND2-O 2.64Å; N95-Q152 HydrophobicContact CB-CG 4.4Å
96	M	98.5	Very high	98.5	Very high	76 Å²	76	30.3 Å²	30.3	37%	0.374	16%	0.16	S	C	.	.	S	Bend	trans	-104.7	-40.7	-178.6	-52.6	-55	-62.6	0	0	111.4	T145 Y151 Q152 H169	M96-T145 HydrophobicContact SD-CG2 3.65Å; M96-Y151 HydrophobicContact CE-CD2 3.85Å; M96-Y151 HydrophobicContact CE-CE2 3.81Å; M96-Y151 HydrophobicContact SD-CD2 4Å; M96-Y151 HydrophobicContact SD-CE2 4.46Å; M96-Q152 HydrophobicContact CG-CB 3.68Å; M96-Q152 HydrophobicContact CG-CG 4.26Å; M96-Q152 WeakPolarHBondContact CG-O 2.97Å; M96-Q152 HydrophobicContact SD-CB 4.45Å; M96-H169 HydrophobicContact CB-CB 3.89Å; M96-H169 HydrophobicContact CG-CB 3.94Å
97	E	98.5	Very high	98.5	Very high	42 Å²	42	29.1 Å²	29.1	20%	0.196	16%	0.155	C	C	.	.	S	Bend	trans	-150.3	163.6	173.3	63.2	-92.1	-167	0	0	109.1	G94 D99 L160 H169	G94-E97 CarbonylContact C-O 3.54Å; G94-E97 VanDerWaalsContact C-O 3.32Å; G94-E97 WeakPolarHBondContact CA-O 2.9Å; E97-D99 PolarHBondContact O-N 3.28Å; E97-L160 HydrophobicContact CG-CD1 3.99Å; E97-L160 HydrophobicContact CG-CD2 4.2Å; E97-H169 WeakPolarHBondContact OE1-CB 3.4Å; E97-H169 IonicContact OE1-CG 3.46Å; E97-H169 PolarHBondContact OE1-N 2.95Å; E97-H169 IonicContact OE1-ND1 3.51Å; E97-H169 PolarHBondContact OE1-ND1 3.21Å; E97-H169 IonicContact OE2-CG 2.73Å; E97-H169 IonicContact OE2-ND1 3.71Å; E97-H169 PolarHBondContact OE2-ND1 3.09Å; E97-H169 VanDerWaalsContact OE2-ND1 3.11Å
98	P	98.3	Very high	98.7	Very high	113 Å²	113	28.9 Å²	28.9	73%	0.734	15%	0.152	S	C	*	.			trans	-53.8	129.2	170.3	-25.2	35	0	0	0	111.2	W103	P98-W103 WeakPolarHBondContact O-CZ3 3.17Å
99	D	98.6	Very high	98.7	Very high	29 Å²	29	28.7 Å²	28.7	16%	0.155	15%	0.15	C	C	.	.			trans	-136.3	163.9	-179.9	-163.8	14.6	0	0	0	110.4	A92 E97 R170	A92-D99 VanDerWaalsContact CA-OD2 3.29Å; A92-D99 WeakPolarHBondContact CA-OD2 3.3Å; A92-D99 HydrophobicContact CB-CB 4.18Å; A92-D99 VanDerWaalsContact CB-OD2 3.3Å; A92-D99 WeakPolarHBondContact CB-OD2 3.36Å; E97-D99 PolarHBondContact O-N 3.28Å; D99-R170 IonicContact OD1-CZ 3.56Å; D99-R170 IonicContact OD1-NE 2.96Å; D99-R170 IonicContact OD1-NH2 3.61Å; D99-R170 PolarHBondContact OD1-NH2 3.49Å; D99-R170 WeakPolarHBondContact OD2-CB 3.39Å; D99-R170 IonicContact OD2-CZ 3.59Å; D99-R170 IonicContact OD2-NE 2.75Å; D99-R170 PolarHBondContact OD2-NE 2.94Å; D99-R170 IonicContact OD2-NH2 2.92Å
100	D	98.7	Very high	98.7	Very high	29 Å²	29	30.1 Å²	30.1	16%	0.155	16%	0.156	C	C	.	.			trans	-139.8	133	-178.1	-163.2	-52.3	0	0	0	110.4	R102 W103 H104	D100-R102 VanDerWaalsContact CG-NE 3.34Å; D100-R102 PolarHBondContact O-N 3.41Å; D100-R102 VanDerWaalsContact O-N 3.11Å; D100-R102 WeakPolarHBondContact OD1-CB 3.05Å; D100-R102 VanDerWaalsContact OD1-CG 3.29Å; D100-R102 WeakPolarHBondContact OD1-CG 3.34Å; D100-R102 IonicContact OD1-CZ 2.93Å; D100-R102 PolarHBondContact OD1-N 2.84Å; D100-R102 IonicContact OD1-NE 3.68Å; D100-R102 PolarHBondContact OD1-NE 2.83Å; D100-R102 IonicContact OD1-NH2 2.87Å; D100-R102 IonicContact OD2-CZ 3.87Å; D100-R102 VanDerWaalsContact OD2-CZ 3.23Å; D100-R102 IonicContact OD2-NE 3.38Å; D100-R102 PolarHBondContact OD2-NE 2.98Å; D100-R102 VanDerWaalsContact OD2-NE 3.07Å; D100-R102 IonicContact OD2-NH2 3.88Å; D100-R102 PolarHBondContact OD2-NH2 3Å; D100-W103 HydrophobicContact CB-CD2 3.62Å; D100-W103 HydrophobicContact CB-CE3 4.1Å; D100-W103 HydrophobicContact CB-CG 3.85Å; D100-W103 HydrophobicContact CB-CZ2 4.14Å; D100-W103 WeakPolarHBondContact O-CB 3.43Å; D100-W103 PolarHBondContact O-N 3.1Å; D100-H104 PolarHBondContact O-N 3.46Å
101	W	98.8	Very high	98.7	Very high	50 Å²	50	30.1 Å²	30.1	19%	0.189	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-23.9	177.9	71.4	-96.1	0	0	0	112.3	A92 W103 H104 F105 H122 C125 R126 E636 V637	A92-W101 HydrophobicContact CB-CB 4.32Å; W101-W103 VanDerWaalsContact C-N 3.33Å; W101-H104 WeakPolarHBondContact O-CB 3.48Å; W101-H104 PolarHBondContact O-N 3.46Å; W101-F105 HydrophobicContact CE3-CB 4.45Å; W101-F105 HydrophobicContact CZ3-CB 4.47Å; W101-F105 WeakPolarHBondContact O-CB 3.42Å; W101-F105 PolarHBondContact O-N 3.3Å; W101-H122 AromaticContact CH2-CD2 3.64Å; W101-H122 AromaticContact CH2-NE2 3.48Å; W101-H122 WeakPolarHBondContact CH2-NE2 3.23Å; W101-H122 AromaticContact CZ3-CD2 3.67Å; W101-C125 WeakPolarHBondContact CB-O 3.37Å; W101-C125 HydrophobicContact CE3-CB 4.23Å; W101-R126 HydrophobicContact CD2-CB 4.03Å; W101-R126 HydrophobicContact CD2-CG 4.27Å; W101-R126 HydrophobicContact CE3-CB 3.85Å; W101-R126 HydrophobicContact CH2-CB 4.22Å; W101-R126 HydrophobicContact CH2-CG 4.38Å; W101-R126 HydrophobicContact CZ2-CB 4.39Å; W101-R126 HydrophobicContact CZ2-CG 4.13Å; W101-R126 HydrophobicContact CZ3-CB 3.96Å; W101-E636 HydrophobicContact CH2-CB 4.33Å; W101-E636 HydrophobicContact CZ2-CB 4.3Å; W101-V637 HydrophobicContact CH2-CB 3.97Å; W101-V637 HydrophobicContact CH2-CG1 3.69Å; W101-V637 HydrophobicContact CZ3-CB 4.37Å; W101-V637 HydrophobicContact CZ3-CG1 3.92Å
102	R	98.8	Very high	98.7	Very high	101 Å²	101	30.1 Å²	30.1	38%	0.381	16%	0.156	S	C	.	.	H	α-helix	trans	-70.9	-27.6	174.8	-61.5	170.8	-72.6	-173.8	-1.8	112.3	D100 F105 Y106 F162 E636 V637	D100-R102 VanDerWaalsContact CG-NE 3.34Å; D100-R102 PolarHBondContact O-N 3.41Å; D100-R102 VanDerWaalsContact O-N 3.11Å; D100-R102 WeakPolarHBondContact OD1-CB 3.05Å; D100-R102 VanDerWaalsContact OD1-CG 3.29Å; D100-R102 WeakPolarHBondContact OD1-CG 3.34Å; D100-R102 IonicContact OD1-CZ 2.93Å; D100-R102 PolarHBondContact OD1-N 2.84Å; D100-R102 IonicContact OD1-NE 3.68Å; D100-R102 PolarHBondContact OD1-NE 2.83Å; D100-R102 IonicContact OD1-NH2 2.87Å; D100-R102 IonicContact OD2-CZ 3.87Å; D100-R102 VanDerWaalsContact OD2-CZ 3.23Å; D100-R102 IonicContact OD2-NE 3.38Å; D100-R102 PolarHBondContact OD2-NE 2.98Å; D100-R102 VanDerWaalsContact OD2-NE 3.07Å; D100-R102 IonicContact OD2-NH2 3.88Å; D100-R102 PolarHBondContact OD2-NH2 3Å; R102-F105 WeakPolarHBondContact O-CB 3.31Å; R102-Y106 PolarHBondContact O-N 2.81Å; R102-F162 HydrophobicContact CB-CE1 4.17Å; R102-F162 HydrophobicContact CB-CZ 4.15Å; R102-E636 WeakPolarHBondContact CD-O 3.44Å; R102-V637 HydrophobicContact CB-CG2 4.45Å; R102-V637 HydrophobicContact CG-CB 4.32Å; R102-V637 HydrophobicContact CG-CG2 4.33Å
103	W	98.8	Very high	98.7	Very high	35 Å²	35	30 Å²	30	13%	0.133	15%	0.154	C	C	.	.	H	α-helix	trans	-73.3	-41	171.7	-55.5	-15	0	0	0	110.4	P98 D100 W101 F105 Y106 D107 L160 N161 F162	P98-W103 WeakPolarHBondContact O-CZ3 3.17Å; D100-W103 HydrophobicContact CB-CD2 3.62Å; D100-W103 HydrophobicContact CB-CE3 4.1Å; D100-W103 HydrophobicContact CB-CG 3.85Å; D100-W103 HydrophobicContact CB-CZ2 4.14Å; D100-W103 WeakPolarHBondContact O-CB 3.43Å; D100-W103 PolarHBondContact O-N 3.1Å; W101-W103 VanDerWaalsContact C-N 3.33Å; W103-F105 VanDerWaalsContact C-N 3.33Å; W103-F105 PolarHBondContact O-N 3.13Å; W103-Y106 PolarHBondContact O-N 3.32Å; W103-D107 PolarHBondContact O-N 2.88Å; W103-L160 HydrophobicContact CE3-CB 3.98Å; W103-L160 HydrophobicContact CE3-CD2 3.81Å; W103-L160 HydrophobicContact CZ3-CB 3.95Å; W103-L160 HydrophobicContact CZ3-CD2 3.79Å; W103-L160 HydrophobicContact CZ3-CG 4.42Å; W103-N161 VanDerWaalsContact CD2-N 3.27Å; W103-N161 VanDerWaalsContact CH2-OD1 3.31Å; W103-N161 WeakPolarHBondContact CH2-OD1 3.5Å; W103-N161 WeakPolarHBondContact CZ2-OD1 3.44Å; W103-F162 AromaticContact CD1-CD2 3.82Å; W103-F162 AromaticContact CD1-CE2 3.65Å; W103-F162 AromaticContact CD1-CZ 3.75Å; W103-F162 AromaticContact NE1-CD2 3.91Å; W103-F162 AromaticContact NE1-CE2 3.58Å
104	H	98.9	Very high	98.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-39.4	171.4	179.6	-157.6	0	0	0	112.5	D100 W101 D107 T108 N438	D100-H104 PolarHBondContact O-N 3.46Å; W101-H104 WeakPolarHBondContact O-CB 3.48Å; W101-H104 PolarHBondContact O-N 3.46Å; H104-D107 PolarHBondContact O-N 3Å; H104-T108 PolarHBondContact CD2-OG1 2.7Å; H104-T108 WeakPolarHBondContact O-CB 3.3Å; H104-T108 PolarHBondContact O-N 2.84Å; H104-T108 PolarHBondContact O-OG1 3.22Å; H104-N438 PolarHBondContact NE2-OD1 3.15Å
105	F	98.9	Very high	98.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.6	-53	171.6	168.2	-98.4	0	0	0	111	W101 R102 W103 D107 T108 V109 Q118 I121 H122 C125 T631 V637 V640	W101-F105 HydrophobicContact CE3-CB 4.45Å; W101-F105 HydrophobicContact CZ3-CB 4.47Å; W101-F105 WeakPolarHBondContact O-CB 3.42Å; W101-F105 PolarHBondContact O-N 3.3Å; R102-F105 WeakPolarHBondContact O-CB 3.31Å; W103-F105 VanDerWaalsContact C-N 3.33Å; W103-F105 PolarHBondContact O-N 3.13Å; F105-D107 PolarHBondContact O-N 3.19Å; F105-T108 PolarHBondContact O-N 2.81Å; F105-T108 VanDerWaalsContact O-N 3.14Å; F105-V109 HydrophobicContact CD2-CG2 4.32Å; F105-V109 HydrophobicContact CE1-CG2 4.15Å; F105-V109 HydrophobicContact CE2-CG2 3.88Å; F105-V109 HydrophobicContact CZ-CG2 3.79Å; F105-V109 WeakPolarHBondContact O-CG2 3.32Å; F105-V109 PolarHBondContact O-N 3.34Å; F105-Q118 HydrophobicContact CE2-CB 4.27Å; F105-Q118 WeakPolarHBondContact CE2-O 3.48Å; F105-Q118 HydrophobicContact CZ-CB 4.18Å; F105-I121 HydrophobicContact CD2-CB 4.14Å; F105-I121 HydrophobicContact CD2-CG2 3.6Å; F105-I121 HydrophobicContact CE2-CB 4.12Å; F105-I121 HydrophobicContact CE2-CG2 4.02Å; F105-I121 HydrophobicContact CG-CG2 4.45Å; F105-H122 HydrophobicContact CD2-CB 4.19Å; F105-H122 HydrophobicContact CE2-CB 4Å; F105-C125 HydrophobicContact CB-CB 4.08Å; F105-T631 HydrophobicContact CE2-CG2 4.38Å; F105-T631 HydrophobicContact CZ-CG2 3.76Å; F105-V637 HydrophobicContact CD1-CG1 4.42Å; F105-V637 HydrophobicContact CD1-CG2 3.52Å; F105-V637 HydrophobicContact CE1-CG1 4.29Å; F105-V637 HydrophobicContact CE1-CG2 3.6Å; F105-V637 HydrophobicContact CG-CG2 4.32Å; F105-V637 HydrophobicContact CZ-CG1 4.42Å; F105-V637 HydrophobicContact CZ-CG2 4.48Å; F105-V640 HydrophobicContact CD1-CG2 4.32Å; F105-V640 HydrophobicContact CE1-CG2 3.75Å
106	Y	98.8	Very high	98.7	Very high	16 Å²	16	25.8 Å²	25.8	6%	0.063	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-45.9	178.4	166.4	-88.3	0	0	0	112.9	R102 W103 T108 V109 K110 F162 V640 K643	R102-Y106 PolarHBondContact O-N 2.81Å; W103-Y106 PolarHBondContact O-N 3.32Å; Y106-T108 PolarHBondContact O-N 3Å; Y106-V109 PolarHBondContact O-N 2.7Å; Y106-K110 HydrophobicContact CE1-CD 4.33Å; Y106-K110 WeakPolarHBondContact O-CB 3.43Å; Y106-K110 PolarHBondContact O-N 3.46Å; Y106-F162 VanDerWaalsContact CD1-C 3.48Å; Y106-F162 HydrophobicContact CD1-CB 4.3Å; Y106-F162 HydrophobicContact CD2-CB 4.28Å; Y106-F162 HydrophobicContact CD2-CD1 4.3Å; Y106-F162 WeakPolarHBondContact CE1-O 3.19Å; Y106-F162 HydrophobicContact CG-CB 4.14Å; Y106-F162 HydrophobicContact CG-CD1 4.04Å; Y106-F162 PolarHBondContact OH-O 2.77Å; Y106-V640 HydrophobicContact CD2-CG1 3.88Å; Y106-V640 HydrophobicContact CD2-CG2 4.04Å; Y106-V640 HydrophobicContact CE2-CG1 4.1Å; Y106-K643 VanDerWaalsContact OH-CE 3.26Å; Y106-K643 WeakPolarHBondContact OH-CE 3.4Å; Y106-K643 PolarHBondContact OH-NZ 3.42Å
107	D	98.8	Very high	98.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-58.6	-41	177.2	-75.1	-28.2	0	0	0	110.9	W103 H104 F105 G111 Q158 S159 R170 L435	W103-D107 PolarHBondContact O-N 2.88Å; H104-D107 PolarHBondContact O-N 3Å; F105-D107 PolarHBondContact O-N 3.19Å; D107-G111 WeakPolarHBondContact O-CA 3.37Å; D107-G111 PolarHBondContact O-N 3.22Å; D107-Q158 WeakPolarHBondContact OD2-CA 3.34Å; D107-S159 PolarHBondContact OD1-N 3.39Å; D107-S159 PolarHBondContact OD1-OG 3.46Å; D107-S159 PolarHBondContact OD2-N 3.43Å; D107-R170 IonicContact OD2-CZ 2.84Å; D107-R170 IonicContact OD2-NH1 2.98Å; D107-R170 PolarHBondContact OD2-NH1 2.94Å; D107-R170 IonicContact OD2-NH2 3.19Å; D107-L435 HydrophobicContact CB-CD1 3.96Å
108	T	98.9	Very high	98.8	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-69.8	-43.3	-180	-56.3	0	0	0	0	111.5	H104 F105 Y106 G111 S112 I121 M124 V429 N438	H104-T108 PolarHBondContact CD2-OG1 2.7Å; H104-T108 WeakPolarHBondContact O-CB 3.3Å; H104-T108 PolarHBondContact O-N 2.84Å; H104-T108 PolarHBondContact O-OG1 3.22Å; F105-T108 PolarHBondContact O-N 2.81Å; F105-T108 VanDerWaalsContact O-N 3.14Å; Y106-T108 PolarHBondContact O-N 3Å; T108-G111 PolarHBondContact O-N 2.82Å; T108-S112 WeakPolarHBondContact O-CB 3.33Å; T108-S112 PolarHBondContact O-N 2.94Å; T108-I121 HydrophobicContact CG2-CB 4.48Å; T108-I121 HydrophobicContact CG2-CD1 4.14Å; T108-I121 HydrophobicContact CG2-CG1 4.06Å; T108-I121 HydrophobicContact CG2-CG2 3.57Å; T108-M124 HydrophobicContact CG2-CE 3.87Å; T108-V429 WeakPolarHBondContact CG2-O 3.26Å; T108-N438 WeakPolarHBondContact CG2-ND2 3.33Å; T108-N438 PolarHBondContact OG1-ND2 3.08Å
109	V	98.9	Very high	98.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.2	-49.9	174.7	177.8	0	0	0	0	110.8	F105 Y106 G111 S112 D113 W114 Q118 I121 V640	F105-V109 HydrophobicContact CD2-CG2 4.32Å; F105-V109 HydrophobicContact CE1-CG2 4.15Å; F105-V109 HydrophobicContact CE2-CG2 3.88Å; F105-V109 HydrophobicContact CZ-CG2 3.79Å; F105-V109 WeakPolarHBondContact O-CG2 3.32Å; F105-V109 PolarHBondContact O-N 3.34Å; Y106-V109 PolarHBondContact O-N 2.7Å; V109-G111 VanDerWaalsContact C-N 3.31Å; V109-G111 PolarHBondContact O-N 2.84Å; V109-S112 PolarHBondContact O-N 2.8Å; V109-S112 PolarHBondContact O-OG 3.46Å; V109-D113 PolarHBondContact O-N 3Å; V109-W114 HydrophobicContact CG1-CG 4.45Å; V109-W114 PolarHBondContact O-N 2.82Å; V109-Q118 HydrophobicContact CG1-CG 4.39Å; V109-Q118 HydrophobicContact CG2-CG 4.04Å; V109-I121 HydrophobicContact CG2-CD1 3.85Å; V109-I121 HydrophobicContact CG2-CG2 4.15Å; V109-V640 HydrophobicContact CB-CB 4.37Å; V109-V640 HydrophobicContact CG1-CB 3.97Å; V109-V640 HydrophobicContact CG1-CG1 4.25Å
110	K	98.7	Very high	98.8	Very high	30 Å²	30	14.3 Å²	14.3	13%	0.13	6%	0.061	C	C	.	.	H	α-helix	trans	-58.9	-44.1	174.5	-179.1	-170.7	174.6	-171	0	111	Y106 S112 D113 W114 R645 S646 Y647	Y106-K110 HydrophobicContact CE1-CD 4.33Å; Y106-K110 WeakPolarHBondContact O-CB 3.43Å; Y106-K110 PolarHBondContact O-N 3.46Å; K110-S112 VanDerWaalsContact C-N 3.3Å; K110-S112 PolarHBondContact O-N 3.23Å; K110-D113 PolarHBondContact O-N 3.44Å; K110-D113 VanDerWaalsContact O-N 3.1Å; K110-W114 HydrophobicContact CG-CH2 4.3Å; K110-R645 HydrophobicContact CG-CG 4.35Å; K110-R645 VanDerWaalsContact O-CD 3.27Å; K110-R645 WeakPolarHBondContact O-CD 3.32Å; K110-R645 PolarHBondContact O-NE 3.11Å; K110-S646 VanDerWaalsContact CE-O 3.28Å; K110-S646 WeakPolarHBondContact CE-O 3.35Å; K110-S646 PolarHBondContact NZ-O 2.94Å; K110-Y647 HydrophobicContact CD-CE1 4.42Å
111	G	98.6	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.2	-41.7	-179.7	0	0	0	0	0	112.3	D107 T108 V109 D113 N433 R645	D107-G111 WeakPolarHBondContact O-CA 3.37Å; D107-G111 PolarHBondContact O-N 3.22Å; T108-G111 PolarHBondContact O-N 2.82Å; V109-G111 VanDerWaalsContact C-N 3.31Å; V109-G111 PolarHBondContact O-N 2.84Å; G111-D113 PolarHBondContact O-N 3.35Å; G111-N433 CarbonylContact C-O 3.09Å; G111-N433 VanDerWaalsContact C-O 3.27Å; G111-N433 WeakPolarHBondContact O-CB 3.37Å; G111-N433 PolarHBondContact O-ND2 2.76Å; G111-N433 VanDerWaalsContact O-ND2 3.09Å; G111-R645 PolarHBondContact O-NH2 3.14Å
112	S	98.8	Very high	98.8	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.7	178.1	81.6	0	0	0	0	114.7	T108 V109 K110 W114 L115 G116 H430 A432	T108-S112 WeakPolarHBondContact O-CB 3.33Å; T108-S112 PolarHBondContact O-N 2.94Å; V109-S112 PolarHBondContact O-N 2.8Å; V109-S112 PolarHBondContact O-OG 3.46Å; K110-S112 VanDerWaalsContact C-N 3.3Å; K110-S112 PolarHBondContact O-N 3.23Å; S112-W114 VanDerWaalsContact C-N 3.29Å; S112-W114 PolarHBondContact O-N 3.14Å; S112-W114 PolarHBondContact OG-N 3.16Å; S112-L115 PolarHBondContact O-N 3.16Å; S112-G116 PolarHBondContact OG-N 3.24Å; S112-G116 VanDerWaalsContact OG-N 3.14Å; S112-H430 WeakPolarHBondContact CA-O 3.5Å; S112-H430 WeakPolarHBondContact CB-O 3.25Å; S112-A432 PolarHBondContact O-N 3.12Å
113	D	98.8	Very high	98.8	Very high	11 Å²	11	7.2 Å²	7.2	6%	0.059	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	41.7	-175.3	-155	6.5	0	0	0	113	V109 K110 G111 L115 A432 R572 G573 R583 R645	V109-D113 PolarHBondContact O-N 3Å; K110-D113 PolarHBondContact O-N 3.44Å; K110-D113 VanDerWaalsContact O-N 3.1Å; G111-D113 PolarHBondContact O-N 3.35Å; D113-L115 PolarHBondContact O-N 2.93Å; D113-L115 VanDerWaalsContact O-N 3.1Å; D113-A432 HydrophobicContact CB-CB 4.33Å; D113-R572 HydrophobicContact CB-CG 3.79Å; D113-R572 PolarHBondContact O-NH1 3.44Å; D113-R572 WeakPolarHBondContact OD2-CA 3.28Å; D113-R572 WeakPolarHBondContact OD2-CG 3.47Å; D113-G573 PolarHBondContact OD2-N 2.88Å; D113-R583 WeakPolarHBondContact OD1-CD 3.26Å; D113-R583 IonicContact OD1-CZ 3.8Å; D113-R583 IonicContact OD1-NE 2.63Å; D113-R583 IonicContact OD1-NH1 3.42Å; D113-R583 PolarHBondContact OD1-NH1 2.77Å; D113-R645 WeakPolarHBondContact OD1-CD 3.16Å
114	W	98.8	Very high	98.8	Very high	1 Å²	1	5.6 Å²	5.6	0%	0.004	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	26.8	-179.7	-59.2	-91.8	0	0	0	114.8	V109 K110 S112 R606 V640 P641 P642 K643 R645	V109-W114 HydrophobicContact CG1-CG 4.45Å; V109-W114 PolarHBondContact O-N 2.82Å; K110-W114 HydrophobicContact CG-CH2 4.3Å; S112-W114 VanDerWaalsContact C-N 3.29Å; S112-W114 PolarHBondContact O-N 3.14Å; S112-W114 PolarHBondContact OG-N 3.16Å; W114-R606 WeakPolarHBondContact O-CG 3.3Å; W114-V640 PolarHBondContact NE1-O 2.83Å; W114-P641 PolarHBondContact NE1-O 3.31Å; W114-P642 HydrophobicContact CB-CB 4.29Å; W114-P642 HydrophobicContact CB-CG 4.05Å; W114-P642 HydrophobicContact CD2-CB 4.12Å; W114-P642 HydrophobicContact CG-CB 3.93Å; W114-P642 HydrophobicContact CG-CG 3.96Å; W114-K643 HydrophobicContact CH2-CB 4.43Å; W114-K643 HydrophobicContact CH2-CG 3.53Å; W114-K643 WeakPolarHBondContact CH2-O 3.43Å; W114-K643 HydrophobicContact CZ2-CB 4.36Å; W114-K643 HydrophobicContact CZ2-CD 4.48Å; W114-K643 HydrophobicContact CZ2-CG 3.42Å; W114-K643 VanDerWaalsContact CZ2-CG 3.42Å; W114-K643 WeakPolarHBondContact CZ3-O 3.46Å; W114-R645 HydrophobicContact CH2-CB 4.37Å; W114-R645 HydrophobicContact CZ3-CB 3.92Å; W114-R645 HydrophobicContact CZ3-CG 4.28Å
115	L	98.9	Very high	98.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.026	C	C	.	.			trans	-99.5	-0.7	162.6	-164.3	68.7	0	0	0	111.1	S112 D113 F274 S428 A432 K607 H608 V627	S112-L115 PolarHBondContact O-N 3.16Å; D113-L115 PolarHBondContact O-N 2.93Å; D113-L115 VanDerWaalsContact O-N 3.1Å; L115-F274 HydrophobicContact CD2-CD2 3.95Å; L115-F274 HydrophobicContact CD2-CE1 4.07Å; L115-F274 HydrophobicContact CD2-CE2 3.29Å; L115-F274 HydrophobicContact CD2-CZ 3.35Å; L115-S428 PolarHBondContact O-OG 2.81Å; L115-A432 HydrophobicContact CB-CB 4.25Å; L115-A432 HydrophobicContact CD2-CB 4.03Å; L115-K607 WeakPolarHBondContact CD1-O 3.48Å; L115-H608 PolarHBondContact O-CE1 2.89Å; L115-V627 HydrophobicContact CD1-CG2 3.87Å
116	G	98.8	Very high	98.8	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.01	4%	0.039	C	C	.	.	S	Bend	trans	-86.3	135.9	177.3	0	0	0	0	0	112.7	S112 Q118 S428	S112-G116 PolarHBondContact OG-N 3.24Å; S112-G116 VanDerWaalsContact OG-N 3.14Å; G116-Q118 PolarHBondContact O-N 3.31Å; G116-S428 CarbonylContact C-O 3.38Å; G116-S428 WeakPolarHBondContact CA-O 3.37Å
117	D	98.8	Very high	98.8	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.011	4%	0.043	C	C	.	.			trans	-72.9	112.8	178.3	-76.2	-27.1	0	0	0	109.6	D119 A120 I121 S428 H608 R625 I628	D117-D119 VanDerWaalsContact C-N 3.32Å; D117-D119 PolarHBondContact O-N 3.15Å; D117-A120 HydrophobicContact CB-CB 4.44Å; D117-A120 PolarHBondContact O-N 3.32Å; D117-I121 WeakPolarHBondContact O-CG1 3.34Å; D117-I121 PolarHBondContact O-N 2.93Å; D117-S428 PolarHBondContact N-O 3.05Å; D117-H608 IonicContact OD1-CE1 2.94Å; D117-H608 IonicContact OD1-NE2 2.76Å; D117-H608 PolarHBondContact OD1-NE2 2.89Å; D117-H608 VanDerWaalsContact OD1-NE2 3.09Å; D117-H608 IonicContact OD2-CE1 2.87Å; D117-H608 IonicContact OD2-NE2 3.25Å; D117-R625 IonicContact OD1-NH1 2.72Å; D117-R625 IonicContact OD2-CZ 3.71Å; D117-R625 IonicContact OD2-NH1 3.87Å; D117-R625 PolarHBondContact OD2-NH1 3.33Å; D117-R625 IonicContact OD2-NH2 3.62Å; D117-I628 HydrophobicContact CB-CB 4.15Å; D117-I628 PolarHBondContact OD1-N 3.38Å
118	Q	98.8	Very high	98.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-72.9	-21.6	-167	-61.3	-165.4	41.4	0	0	113.4	F105 V109 G116 H122 I628 T631 T639 V640	F105-Q118 HydrophobicContact CE2-CB 4.27Å; F105-Q118 WeakPolarHBondContact CE2-O 3.48Å; F105-Q118 HydrophobicContact CZ-CB 4.18Å; V109-Q118 HydrophobicContact CG1-CG 4.39Å; V109-Q118 HydrophobicContact CG2-CG 4.04Å; G116-Q118 PolarHBondContact O-N 3.31Å; Q118-H122 WeakPolarHBondContact O-CB 3.19Å; Q118-H122 PolarHBondContact O-N 3.37Å; Q118-I628 PolarHBondContact N-O 2.92Å; Q118-T631 HydrophobicContact CB-CG2 4.33Å; Q118-T639 PolarHBondContact NE2-OG1 2.93Å; Q118-T639 VanDerWaalsContact NE2-OG1 3.14Å; Q118-T639 PolarHBondContact OE1-OG1 3Å; Q118-V640 PolarHBondContact NE2-O 3.39Å; Q118-V640 VanDerWaalsContact NE2-O 3.15Å
119	D	98.7	Very high	98.8	Very high	17 Å²	17	11 Å²	11	9%	0.091	5%	0.051	C	C	.	.	H	α-helix	trans	-67.3	-44.6	170.4	65.4	-31.1	0	0	0	111.2	D117 H122 Y123 H399 I628 A630 L632	D117-D119 VanDerWaalsContact C-N 3.32Å; D117-D119 PolarHBondContact O-N 3.15Å; D119-H122 PolarHBondContact O-N 3.44Å; D119-Y123 PolarHBondContact O-N 2.81Å; D119-H399 IonicContact OD2-CE1 3.3Å; D119-H399 IonicContact OD2-CG 2.73Å; D119-H399 IonicContact OD2-ND1 2.94Å; D119-H399 PolarHBondContact OD2-ND1 3.14Å; D119-I628 HydrophobicContact CB-CG2 4.32Å; D119-A630 WeakPolarHBondContact CB-O 3.35Å; D119-A630 PolarHBondContact N-O 3.38Å; D119-L632 HydrophobicContact CB-CD2 3.88Å; D119-L632 HydrophobicContact CB-CG 4.24Å
120	A	98.8	Very high	98.8	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.008	7%	0.065	C	C	.	.	H	α-helix	trans	-67.9	-40	175.7	0	0	0	0	0	111.9	D117 Y123 M124 H399 V429 F446	D117-A120 HydrophobicContact CB-CB 4.44Å; D117-A120 PolarHBondContact O-N 3.32Å; A120-Y123 PolarHBondContact O-N 3.48Å; A120-M124 WeakPolarHBondContact O-CB 3.32Å; A120-M124 PolarHBondContact O-N 3.25Å; A120-H399 HydrophobicContact CB-CB 3.97Å; A120-V429 HydrophobicContact CB-CG1 3.58Å; A120-F446 HydrophobicContact CB-CZ 4.26Å
121	I	98.9	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.5	-42	175.4	-61.9	169.6	0	0	0	110.7	F105 T108 V109 D117 M124 C125 V429	F105-I121 HydrophobicContact CD2-CB 4.14Å; F105-I121 HydrophobicContact CD2-CG2 3.6Å; F105-I121 HydrophobicContact CE2-CB 4.12Å; F105-I121 HydrophobicContact CE2-CG2 4.02Å; F105-I121 HydrophobicContact CG-CG2 4.45Å; T108-I121 HydrophobicContact CG2-CB 4.48Å; T108-I121 HydrophobicContact CG2-CD1 4.14Å; T108-I121 HydrophobicContact CG2-CG1 4.06Å; T108-I121 HydrophobicContact CG2-CG2 3.57Å; V109-I121 HydrophobicContact CG2-CD1 3.85Å; V109-I121 HydrophobicContact CG2-CG2 4.15Å; D117-I121 WeakPolarHBondContact O-CG1 3.34Å; D117-I121 PolarHBondContact O-N 2.93Å; I121-M124 PolarHBondContact O-N 2.98Å; I121-C125 WeakPolarHBondContact O-CB 3.24Å; I121-C125 PolarHBondContact O-N 2.94Å; I121-V429 HydrophobicContact CG1-CB 4.04Å; I121-V429 HydrophobicContact CG1-CG1 4.29Å
122	H	98.8	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-55.9	-55.3	173.6	178.4	165.2	0	0	0	109.5	W101 F105 Q118 D119 M124 C125 R126 L632 E636 V637	W101-H122 AromaticContact CH2-CD2 3.64Å; W101-H122 AromaticContact CH2-NE2 3.48Å; W101-H122 WeakPolarHBondContact CH2-NE2 3.23Å; W101-H122 AromaticContact CZ3-CD2 3.67Å; F105-H122 HydrophobicContact CD2-CB 4.19Å; F105-H122 HydrophobicContact CE2-CB 4Å; Q118-H122 WeakPolarHBondContact O-CB 3.19Å; Q118-H122 PolarHBondContact O-N 3.37Å; D119-H122 PolarHBondContact O-N 3.44Å; H122-M124 VanDerWaalsContact C-N 3.3Å; H122-M124 PolarHBondContact O-N 3.3Å; H122-C125 PolarHBondContact O-N 2.72Å; H122-R126 VanDerWaalsContact O-CB 3.29Å; H122-R126 WeakPolarHBondContact O-CB 3.46Å; H122-R126 PolarHBondContact O-N 3.23Å; H122-L632 PolarHBondContact ND1-N 2.8Å; H122-E636 IonicContact CE1-OE2 3.11Å; H122-E636 IonicContact NE2-OE2 3.64Å; H122-E636 PolarHBondContact NE2-OE2 2.93Å; H122-V637 HydrophobicContact CB-CG1 4.48Å; H122-V637 WeakPolarHBondContact ND1-CG1 3.37Å
123	Y	98.8	Very high	98.8	Very high	31 Å²	31	17.4 Å²	17.4	12%	0.122	8%	0.08	C	C	.	.	H	α-helix	trans	-52.7	-49.1	178.9	-173.7	-107.3	0	0	0	111.9	D119 A120 E127 I445 F446 A449 L632	D119-Y123 PolarHBondContact O-N 2.81Å; A120-Y123 PolarHBondContact O-N 3.48Å; Y123-E127 HydrophobicContact CD2-CG 4.13Å; Y123-E127 HydrophobicContact CE2-CG 3.89Å; Y123-E127 VanDerWaalsContact O-CB 3.31Å; Y123-E127 WeakPolarHBondContact O-CB 3.49Å; Y123-E127 VanDerWaalsContact O-CG 3.24Å; Y123-E127 WeakPolarHBondContact O-CG 3.44Å; Y123-E127 PolarHBondContact O-N 2.72Å; Y123-E127 VanDerWaalsContact O-N 3.09Å; Y123-I445 HydrophobicContact CD1-CG2 3.58Å; Y123-I445 HydrophobicContact CE1-CG2 3.47Å; Y123-I445 VanDerWaalsContact CE1-CG2 3.47Å; Y123-F446 HydrophobicContact CD1-CE1 4.08Å; Y123-F446 HydrophobicContact CD1-CZ 4.42Å; Y123-A449 HydrophobicContact CE1-CB 3.94Å; Y123-L632 HydrophobicContact CD2-CD1 4.11Å; Y123-L632 HydrophobicContact CG-CD1 4.44Å
124	M	98.9	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-50	-178.1	-175.7	-176.2	66.3	0	0	113	T108 A120 I121 H122 A128 V429 L441 D442 I445 F446	T108-M124 HydrophobicContact CG2-CE 3.87Å; A120-M124 WeakPolarHBondContact O-CB 3.32Å; A120-M124 PolarHBondContact O-N 3.25Å; I121-M124 PolarHBondContact O-N 2.98Å; H122-M124 VanDerWaalsContact C-N 3.3Å; H122-M124 PolarHBondContact O-N 3.3Å; M124-A128 WeakPolarHBondContact O-CB 3.45Å; M124-A128 PolarHBondContact O-N 3.49Å; M124-A128 VanDerWaalsContact O-N 3.17Å; M124-V429 HydrophobicContact CB-CG1 4.33Å; M124-V429 HydrophobicContact CE-CB 3.86Å; M124-V429 HydrophobicContact CE-CG1 4.48Å; M124-V429 HydrophobicContact CE-CG2 4.07Å; M124-V429 HydrophobicContact SD-CB 3.94Å; M124-V429 HydrophobicContact SD-CG1 4.29Å; M124-V429 HydrophobicContact SD-CG2 3.66Å; M124-L441 HydrophobicContact CE-CD2 4.42Å; M124-L441 HydrophobicContact CG-CD2 3.65Å; M124-L441 HydrophobicContact CG-CG 3.78Å; M124-L441 HydrophobicContact SD-CD2 4.04Å; M124-L441 HydrophobicContact SD-CG 4.21Å; M124-D442 HydrophobicContact SD-CB 4.18Å; M124-I445 HydrophobicContact CB-CG2 4.38Å; M124-I445 HydrophobicContact CG-CG1 4.2Å; M124-I445 HydrophobicContact CG-CG2 4.49Å; M124-F446 HydrophobicContact CB-CE2 4.11Å; M124-F446 HydrophobicContact CB-CZ 4.27Å; M124-F446 HydrophobicContact CG-CE2 4.31Å; M124-F446 HydrophobicContact SD-CE2 4.35Å
125	C	98.8	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-70.4	-41	-176.6	-69.3	0	0	0	0	112	W101 F105 I121 H122 E127 A128	W101-C125 WeakPolarHBondContact CB-O 3.37Å; W101-C125 HydrophobicContact CE3-CB 4.23Å; F105-C125 HydrophobicContact CB-CB 4.08Å; I121-C125 WeakPolarHBondContact O-CB 3.24Å; I121-C125 PolarHBondContact O-N 2.94Å; H122-C125 PolarHBondContact O-N 2.72Å; C125-E127 PolarHBondContact O-N 3.36Å; C125-A128 WeakPolarHBondContact O-CB 3.46Å; C125-A128 PolarHBondContact O-N 3.23Å
126	R	98.7	Very high	98.7	Very high	75 Å²	75	20.6 Å²	20.6	28%	0.283	10%	0.095	S	C	.	.	H	α-helix	trans	-63.2	-41.3	178.2	-172.5	-174.9	72.4	-169.1	-1	112.2	W101 H122 A128 E636	W101-R126 HydrophobicContact CD2-CB 4.03Å; W101-R126 HydrophobicContact CD2-CG 4.27Å; W101-R126 HydrophobicContact CE3-CB 3.85Å; W101-R126 HydrophobicContact CH2-CB 4.22Å; W101-R126 HydrophobicContact CH2-CG 4.38Å; W101-R126 HydrophobicContact CZ2-CB 4.39Å; W101-R126 HydrophobicContact CZ2-CG 4.13Å; W101-R126 HydrophobicContact CZ3-CB 3.96Å; H122-R126 VanDerWaalsContact O-CB 3.29Å; H122-R126 WeakPolarHBondContact O-CB 3.46Å; H122-R126 PolarHBondContact O-N 3.23Å; R126-A128 VanDerWaalsContact C-N 3.33Å; R126-E636 VanDerWaalsContact CD-OE2 3.3Å; R126-E636 WeakPolarHBondContact CD-OE2 3.37Å; R126-E636 IonicContact CZ-OE2 3.55Å; R126-E636 IonicContact NH1-OE1 3.99Å; R126-E636 IonicContact NH1-OE2 3.6Å; R126-E636 PolarHBondContact NH1-OE2 3.4Å
127	E	98.6	Very high	98.7	Very high	32 Å²	32	26.6 Å²	26.6	15%	0.15	13%	0.127	C	C	.	.	H	α-helix	trans	-80.9	-11.4	-178.9	-65.4	-61	136.5	0	0	113.6	Y123 C125 R130 A131 I445	Y123-E127 HydrophobicContact CD2-CG 4.13Å; Y123-E127 HydrophobicContact CE2-CG 3.89Å; Y123-E127 VanDerWaalsContact O-CB 3.31Å; Y123-E127 WeakPolarHBondContact O-CB 3.49Å; Y123-E127 VanDerWaalsContact O-CG 3.24Å; Y123-E127 WeakPolarHBondContact O-CG 3.44Å; Y123-E127 PolarHBondContact O-N 2.72Å; Y123-E127 VanDerWaalsContact O-N 3.09Å; C125-E127 PolarHBondContact O-N 3.36Å; E127-R130 PolarHBondContact O-N 2.87Å; E127-R130 IonicContact OE2-CZ 2.84Å; E127-R130 VanDerWaalsContact OE2-CZ 3.27Å; E127-R130 IonicContact OE2-NE 3.63Å; E127-R130 PolarHBondContact OE2-NE 3.43Å; E127-R130 IonicContact OE2-NH2 2.8Å; E127-R130 PolarHBondContact OE2-NH2 3.13Å; E127-A131 PolarHBondContact O-N 2.81Å; E127-I445 HydrophobicContact CB-CD1 3.57Å
128	A	98.8	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.5	-47.7	-173.4	0	0	0	0	0	114.3	A91 M124 C125 R126 R130 A131 V132 L441	A91-A128 HydrophobicContact CB-CB 4.06Å; M124-A128 WeakPolarHBondContact O-CB 3.45Å; M124-A128 PolarHBondContact O-N 3.49Å; M124-A128 VanDerWaalsContact O-N 3.17Å; C125-A128 WeakPolarHBondContact O-CB 3.46Å; C125-A128 PolarHBondContact O-N 3.23Å; R126-A128 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 3.3Å; A128-A131 PolarHBondContact O-N 2.95Å; A128-V132 PolarHBondContact O-N 2.99Å; A128-L441 HydrophobicContact CB-CD1 3.49Å; A128-L441 VanDerWaalsContact CB-CD1 3.49Å; A128-L441 HydrophobicContact CB-CD2 3.8Å; A128-L441 HydrophobicContact CB-CG 4.29Å
129	P	98.8	Very high	98.6	Very high	30 Å²	30	31.2 Å²	31.2	20%	0.195	16%	0.16	C	C	.	.	H	α-helix	trans	-56.3	-47.2	177.3	-27.7	37.9	0	0	0	112.9	L93 A131 V132 L133	L93-P129 HydrophobicContact CD2-CB 3.88Å; P129-A131 PolarHBondContact O-N 3.05Å; P129-V132 PolarHBondContact O-N 2.96Å; P129-L133 VanDerWaalsContact O-CG 3.29Å; P129-L133 WeakPolarHBondContact O-CG 3.38Å; P129-L133 PolarHBondContact O-N 3.39Å; P129-L133 VanDerWaalsContact O-N 3.09Å
130	R	98.5	Very high	98.6	Very high	80 Å²	80	30.4 Å²	30.4	30%	0.302	16%	0.156	S	C	.	.	H	α-helix	trans	-63.4	-42.3	179.8	-170.4	-170.7	57.4	56.1	16.6	111.4	E127 A128 L133 E134	E127-R130 PolarHBondContact O-N 2.87Å; E127-R130 IonicContact OE2-CZ 2.84Å; E127-R130 VanDerWaalsContact OE2-CZ 3.27Å; E127-R130 IonicContact OE2-NE 3.63Å; E127-R130 PolarHBondContact OE2-NE 3.43Å; E127-R130 IonicContact OE2-NH2 2.8Å; E127-R130 PolarHBondContact OE2-NH2 3.13Å; A128-R130 PolarHBondContact O-N 3.3Å; R130-L133 PolarHBondContact O-N 3.34Å; R130-E134 IonicContact NH1-OE1 2.94Å; R130-E134 WeakPolarHBondContact O-CB 3.41Å; R130-E134 PolarHBondContact O-N 3.25Å
131	A	98.5	Very high	98.6	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-38.6	-179.1	0	0	0	0	0	113	E127 A128 P129 E134 L135 V444 I445	E127-A131 PolarHBondContact O-N 2.81Å; A128-A131 PolarHBondContact O-N 2.95Å; P129-A131 PolarHBondContact O-N 3.05Å; A131-E134 WeakPolarHBondContact O-CB 3.42Å; A131-E134 PolarHBondContact O-N 3.19Å; A131-L135 WeakPolarHBondContact O-CG 3.48Å; A131-L135 PolarHBondContact O-N 3.23Å; A131-L135 VanDerWaalsContact O-N 3.15Å; A131-V444 HydrophobicContact CB-CG2 4.12Å; A131-I445 HydrophobicContact CB-CD1 3.5Å; A131-I445 VanDerWaalsContact CB-CD1 3.5Å
132	V	98.8	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.3	-39.8	176.6	172.8	0	0	0	0	111.7	V89 A91 L93 A128 P129 E134 L135 E136 F142 I150 C172	V89-V132 HydrophobicContact CG1-CG2 4Å; V89-V132 HydrophobicContact CG2-CG2 4.01Å; A91-V132 HydrophobicContact CB-CB 3.98Å; A91-V132 HydrophobicContact CB-CG2 3.55Å; L93-V132 HydrophobicContact CD1-CG1 4.07Å; A128-V132 PolarHBondContact O-N 2.99Å; P129-V132 PolarHBondContact O-N 2.96Å; V132-E134 VanDerWaalsContact C-N 3.3Å; V132-E134 PolarHBondContact O-N 2.91Å; V132-L135 WeakPolarHBondContact O-CB 3.48Å; V132-L135 PolarHBondContact O-N 2.6Å; V132-E136 PolarHBondContact O-N 3.07Å; V132-F142 HydrophobicContact CG1-CE1 4.49Å; V132-F142 HydrophobicContact CG1-CE2 4.19Å; V132-F142 HydrophobicContact CG1-CZ 3.86Å; V132-I150 HydrophobicContact CG1-CD1 4.01Å; V132-C172 HydrophobicContact CG1-CB 4.17Å
133	L	98.7	Very high	98.6	Very high	83 Å²	83	35.4 Å²	35.4	44%	0.435	19%	0.188	S	C	.	.	H	α-helix	trans	-65.5	-34.4	174.1	-67.5	172.6	0	0	0	112.1	L93 P129 R130 E136 N137	L93-L133 HydrophobicContact CD2-CG 4.23Å; P129-L133 VanDerWaalsContact O-CG 3.29Å; P129-L133 WeakPolarHBondContact O-CG 3.38Å; P129-L133 PolarHBondContact O-N 3.39Å; P129-L133 VanDerWaalsContact O-N 3.09Å; R130-L133 PolarHBondContact O-N 3.34Å; L133-E136 PolarHBondContact O-N 3.4Å; L133-N137 WeakPolarHBondContact O-CB 3.18Å; L133-N137 VanDerWaalsContact O-CG 3.32Å; L133-N137 PolarHBondContact O-N 3.44Å; L133-N137 PolarHBondContact O-ND2 2.68Å
134	E	98	Very high	98.6	Very high	31 Å²	31	38.9 Å²	38.9	15%	0.145	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-43.9	172.8	-174.9	-176.7	-99.2	0	0	111.4	R57 R130 A131 V132 N137 Y138 R448	R57-E134 IonicContact CZ-OE2 2.7Å; R57-E134 VanDerWaalsContact CZ-OE2 3.25Å; R57-E134 IonicContact NE-OE2 2.89Å; R57-E134 PolarHBondContact NE-OE2 3.07Å; R57-E134 VanDerWaalsContact NH2-CD 3.27Å; R57-E134 IonicContact NH2-OE1 3.54Å; R57-E134 PolarHBondContact NH2-OE1 3.35Å; R57-E134 VanDerWaalsContact NH2-OE1 3.11Å; R57-E134 IonicContact NH2-OE2 2.77Å; R57-E134 PolarHBondContact NH2-OE2 3.23Å; R130-E134 IonicContact NH1-OE1 2.94Å; R130-E134 WeakPolarHBondContact O-CB 3.41Å; R130-E134 PolarHBondContact O-N 3.25Å; A131-E134 WeakPolarHBondContact O-CB 3.42Å; A131-E134 PolarHBondContact O-N 3.19Å; V132-E134 VanDerWaalsContact C-N 3.3Å; V132-E134 PolarHBondContact O-N 2.91Å; E134-N137 PolarHBondContact O-N 3.11Å; E134-Y138 VanDerWaalsContact CD-OH 3.26Å; E134-Y138 HydrophobicContact CG-CD2 4.44Å; E134-Y138 HydrophobicContact CG-CE1 4.2Å; E134-Y138 HydrophobicContact CG-CE2 3.57Å; E134-Y138 VanDerWaalsContact CG-CZ 3.42Å; E134-Y138 VanDerWaalsContact CG-OH 3.25Å; E134-Y138 WeakPolarHBondContact CG-OH 3.31Å; E134-Y138 WeakPolarHBondContact O-CD2 3.31Å; E134-Y138 VanDerWaalsContact O-CG 3.28Å; E134-Y138 PolarHBondContact O-N 3.27Å; E134-R448 IonicContact OE1-NE 3.98Å
135	L	98.6	Very high	98.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-41.3	174.7	-69.4	169.9	0	0	0	112.8	A131 V132 N137 Y138 G139 M140 F142 M182 L186 V444	A131-L135 WeakPolarHBondContact O-CG 3.48Å; A131-L135 PolarHBondContact O-N 3.23Å; A131-L135 VanDerWaalsContact O-N 3.15Å; V132-L135 WeakPolarHBondContact O-CB 3.48Å; V132-L135 PolarHBondContact O-N 2.6Å; L135-N137 VanDerWaalsContact C-N 3.35Å; L135-Y138 HydrophobicContact CD2-CD2 4.49Å; L135-Y138 PolarHBondContact O-N 3.22Å; L135-G139 PolarHBondContact O-N 3.28Å; L135-M140 HydrophobicContact CB-CB 4.27Å; L135-M140 HydrophobicContact CB-SD 4Å; L135-M140 HydrophobicContact CD1-SD 4.12Å; L135-M140 WeakPolarHBondContact O-CB 3.3Å; L135-M140 PolarHBondContact O-N 3.3Å; L135-M140 VanDerWaalsContact O-N 3.07Å; L135-F142 HydrophobicContact CB-CE2 4.32Å; L135-M182 HydrophobicContact CD1-CE 3.69Å; L135-M182 HydrophobicContact CD2-CG 4.39Å; L135-L186 HydrophobicContact CD2-CD2 3.88Å; L135-L186 HydrophobicContact CD2-CG 4.18Å; L135-V444 HydrophobicContact CD1-CG1 4.23Å; L135-V444 HydrophobicContact CD1-CG2 4.49Å; L135-V444 HydrophobicContact CD2-CG1 4.27Å
136	E	98.7	Very high	98.5	Very high	48 Å²	48	49.7 Å²	49.7	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-62.7	-43.4	176.9	-165.1	-88.6	176.5	0	0	111.1	V132 L133 Y138 G139 F142 R144 I150	V132-E136 PolarHBondContact O-N 3.07Å; L133-E136 PolarHBondContact O-N 3.4Å; E136-Y138 PolarHBondContact O-N 3.14Å; E136-G139 WeakPolarHBondContact O-CA 3.27Å; E136-G139 PolarHBondContact O-N 3.34Å; E136-F142 HydrophobicContact CB-CD2 3.96Å; E136-F142 HydrophobicContact CB-CE2 4.08Å; E136-F142 HydrophobicContact CG-CD2 4.01Å; E136-R144 IonicContact OE1-CZ 2.74Å; E136-R144 IonicContact OE1-NH1 3.23Å; E136-R144 PolarHBondContact OE1-NH1 3.15Å; E136-R144 IonicContact OE1-NH2 3.66Å; E136-R144 PolarHBondContact OE1-NH2 3.34Å; E136-I150 HydrophobicContact CB-CD1 3.97Å; E136-I150 HydrophobicContact CG-CD1 3.94Å; E136-I150 HydrophobicContact CG-CG1 4.2Å
137	N	98.2	Very high	98.4	Very high	127 Å²	127	52.5 Å²	52.5	68%	0.679	27%	0.266	S	S	*	.	H	α-helix	trans	-65.4	-22.5	174.8	-74	-23.7	0	0	0	113.7	L133 E134 L135 G139	L133-N137 WeakPolarHBondContact O-CB 3.18Å; L133-N137 VanDerWaalsContact O-CG 3.32Å; L133-N137 PolarHBondContact O-N 3.44Å; L133-N137 PolarHBondContact O-ND2 2.68Å; E134-N137 PolarHBondContact O-N 3.11Å; L135-N137 VanDerWaalsContact C-N 3.35Å; N137-G139 PolarHBondContact O-N 2.88Å
138	Y	97.4	Very high	98.4	Very high	46 Å²	46	53 Å²	53	18%	0.18	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.7	168.9	-61.8	-29.3	0	0	0	113.5	M60 E134 L135 E136 R189	M60-Y138 HydrophobicContact CE-CE2 3.45Å; M60-Y138 VanDerWaalsContact CE-CE2 3.45Å; M60-Y138 WeakPolarHBondContact CE-OH 3.13Å; M60-Y138 HydrophobicContact SD-CE2 3.85Å; E134-Y138 VanDerWaalsContact CD-OH 3.26Å; E134-Y138 HydrophobicContact CG-CD2 4.44Å; E134-Y138 HydrophobicContact CG-CE1 4.2Å; E134-Y138 HydrophobicContact CG-CE2 3.57Å; E134-Y138 VanDerWaalsContact CG-CZ 3.42Å; E134-Y138 VanDerWaalsContact CG-OH 3.25Å; E134-Y138 WeakPolarHBondContact CG-OH 3.31Å; E134-Y138 WeakPolarHBondContact O-CD2 3.31Å; E134-Y138 VanDerWaalsContact O-CG 3.28Å; E134-Y138 PolarHBondContact O-N 3.27Å; L135-Y138 HydrophobicContact CD2-CD2 4.49Å; L135-Y138 PolarHBondContact O-N 3.22Å; E136-Y138 PolarHBondContact O-N 3.14Å; Y138-R189 HydrophobicContact CD1-CG 4.05Å; Y138-R189 HydrophobicContact CD2-CG 4.41Å; Y138-R189 HydrophobicContact CE1-CG 4.26Å; Y138-R189 HydrophobicContact CG-CG 4.14Å
139	G	98.2	Very high	98.4	Very high	52 Å²	52	58.1 Å²	58.1	54%	0.536	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	20.5	-179.7	0	0	0	0	0	113.9	L135 E136 N137 P141	L135-G139 PolarHBondContact O-N 3.28Å; E136-G139 WeakPolarHBondContact O-CA 3.27Å; E136-G139 PolarHBondContact O-N 3.34Å; N137-G139 PolarHBondContact O-N 2.88Å; G139-P141 WeakPolarHBondContact O-CD 3.47Å
140	M	98.6	Very high	98.4	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.295	C	S	.	.			trans	-63.8	121.1	173.4	-173	168.4	170	0	0	110.1	L135 F142 V174 T178 M182 T185	L135-M140 HydrophobicContact CB-CB 4.27Å; L135-M140 HydrophobicContact CB-SD 4Å; L135-M140 HydrophobicContact CD1-SD 4.12Å; L135-M140 WeakPolarHBondContact O-CB 3.3Å; L135-M140 PolarHBondContact O-N 3.3Å; L135-M140 VanDerWaalsContact O-N 3.07Å; M140-F142 HydrophobicContact CB-CD2 4.15Å; M140-F142 HydrophobicContact CB-CE2 3.88Å; M140-F142 HydrophobicContact CE-CD1 4.43Å; M140-F142 HydrophobicContact CE-CE1 3.73Å; M140-F142 HydrophobicContact CE-CE2 4.32Å; M140-F142 HydrophobicContact CE-CZ 3.67Å; M140-F142 HydrophobicContact CG-CD2 4.08Å; M140-F142 HydrophobicContact CG-CE2 3.77Å; M140-F142 HydrophobicContact CG-CZ 4.08Å; M140-F142 PolarHBondContact O-N 3.09Å; M140-F142 HydrophobicContact SD-CE1 4.15Å; M140-F142 HydrophobicContact SD-CE2 3.67Å; M140-F142 HydrophobicContact SD-CZ 3.45Å; M140-F142 WeakPolarHBondContact SD-CZ 3.29Å; M140-V174 HydrophobicContact CE-CG2 3.77Å; M140-V174 HydrophobicContact CG-CG2 4.36Å; M140-T178 HydrophobicContact CE-CG2 3.47Å; M140-T178 VanDerWaalsContact CE-CG2 3.47Å; M140-T178 WeakPolarHBondContact CE-O 3.33Å; M140-M182 HydrophobicContact CE-CB 3.81Å; M140-M182 HydrophobicContact CE-CE 4.41Å; M140-M182 HydrophobicContact SD-CB 3.97Å; M140-M182 HydrophobicContact SD-CG 4.43Å; M140-T185 WeakPolarHBondContact CA-OG1 3.27Å; M140-T185 HydrophobicContact CB-CG2 4.1Å
141	P	98.7	Very high	98.4	Very high	75 Å²	75	54.3 Å²	54.3	49%	0.487	29%	0.285	S	S	.	.			trans	-82	58.8	-168.6	34.2	-39	0	0	0	112.8	G139 S143 V174	G139-P141 WeakPolarHBondContact O-CD 3.47Å; P141-S143 PolarHBondContact O-N 3.35Å; P141-V174 HydrophobicContact CG-CG1 4.28Å; P141-V174 VanDerWaalsContact O-CG1 3.3Å; P141-V174 WeakPolarHBondContact O-CG1 3.47Å; P141-V174 WeakPolarHBondContact O-CG2 3.37Å
142	F	98.9	Very high	98.4	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.022	28%	0.284	C	S	.	.			trans	-50.7	139.7	176.2	-75.2	-74.4	0	0	0	112.1	V89 V132 L135 E136 M140 R144 I150 C172 V174	V89-F142 HydrophobicContact CG1-CE1 4Å; V89-F142 HydrophobicContact CG1-CZ 4.11Å; V132-F142 HydrophobicContact CG1-CE1 4.49Å; V132-F142 HydrophobicContact CG1-CE2 4.19Å; V132-F142 HydrophobicContact CG1-CZ 3.86Å; L135-F142 HydrophobicContact CB-CE2 4.32Å; E136-F142 HydrophobicContact CB-CD2 3.96Å; E136-F142 HydrophobicContact CB-CE2 4.08Å; E136-F142 HydrophobicContact CG-CD2 4.01Å; M140-F142 HydrophobicContact CB-CD2 4.15Å; M140-F142 HydrophobicContact CB-CE2 3.88Å; M140-F142 HydrophobicContact CE-CD1 4.43Å; M140-F142 HydrophobicContact CE-CE1 3.73Å; M140-F142 HydrophobicContact CE-CE2 4.32Å; M140-F142 HydrophobicContact CE-CZ 3.67Å; M140-F142 HydrophobicContact CG-CD2 4.08Å; M140-F142 HydrophobicContact CG-CE2 3.77Å; M140-F142 HydrophobicContact CG-CZ 4.08Å; M140-F142 PolarHBondContact O-N 3.09Å; M140-F142 HydrophobicContact SD-CE1 4.15Å; M140-F142 HydrophobicContact SD-CE2 3.67Å; M140-F142 HydrophobicContact SD-CZ 3.45Å; M140-F142 WeakPolarHBondContact SD-CZ 3.29Å; F142-R144 PolarHBondContact O-NE 2.95Å; F142-I150 HydrophobicContact CB-CB 4.36Å; F142-I150 HydrophobicContact CB-CG1 3.96Å; F142-I150 HydrophobicContact CB-CG2 3.92Å; F142-I150 HydrophobicContact CD1-CG2 3.82Å; F142-I150 HydrophobicContact CD2-CD1 3.87Å; F142-I150 HydrophobicContact CD2-CG1 4.14Å; F142-I150 HydrophobicContact CE1-CG2 4.49Å; F142-I150 HydrophobicContact CE2-CD1 4.21Å; F142-I150 HydrophobicContact CG-CD1 4.21Å; F142-I150 HydrophobicContact CG-CG1 4.08Å; F142-I150 HydrophobicContact CG-CG2 3.85Å; F142-C172 HydrophobicContact CD1-CB 4.16Å; F142-C172 HydrophobicContact CE1-CB 3.77Å; F142-V174 HydrophobicContact CD1-CG2 4.25Å
143	S	98.7	Very high	98.4	Very high	25 Å²	25	54.3 Å²	54.3	18%	0.175	28%	0.284	C	S	.	.			trans	-57.6	150.8	166.5	-63.6	0	0	0	0	109.4	P141 Y151 C173 A175	P141-S143 PolarHBondContact O-N 3.35Å; S143-Y151 WeakPolarHBondContact O-CB 3.47Å; S143-Y151 PolarHBondContact O-N 3.48Å; S143-C173 PolarHBondContact N-O 2.88Å; S143-A175 PolarHBondContact OG-N 2.95Å
144	R	98.7	Very high	98.4	Very high	104 Å²	104	50.5 Å²	50.5	39%	0.392	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-115.3	149.8	-170.8	-58.5	-62.8	178.6	155.7	-5.1	113.3	E136 F142 G148 K149	E136-R144 IonicContact OE1-CZ 2.74Å; E136-R144 IonicContact OE1-NH1 3.23Å; E136-R144 PolarHBondContact OE1-NH1 3.15Å; E136-R144 IonicContact OE1-NH2 3.66Å; E136-R144 PolarHBondContact OE1-NH2 3.34Å; F142-R144 PolarHBondContact O-NE 2.95Å; R144-G148 PolarHBondContact NH1-O 3.36Å; R144-K149 CarbonylContact C-O 3.57Å; R144-K149 WeakPolarHBondContact CA-O 3.31Å; R144-K149 WeakPolarHBondContact CD-O 3.36Å
145	T	98.5	Very high	98.4	Very high	21 Å²	21	49.2 Å²	49.2	13%	0.129	26%	0.259	C	S	.	.			trans	-78.7	175.4	163	74.8	0	0	0	0	110	M96 E147 G148 K149	M96-T145 HydrophobicContact SD-CG2 3.65Å; T145-E147 WeakPolarHBondContact CB-OE2 3.24Å; T145-E147 PolarHBondContact O-N 2.83Å; T145-E147 PolarHBondContact OG1-N 3Å; T145-E147 PolarHBondContact OG1-OE2 2.88Å; T145-G148 PolarHBondContact O-N 2.94Å; T145-G148 VanDerWaalsContact O-N 3.14Å; T145-K149 HydrophobicContact CG2-CB 4.42Å; T145-K149 PolarHBondContact N-O 3.28Å; T145-K149 PolarHBondContact OG1-N 3.17Å
146	K	97.3	Very high	98.4	Very high	207 Å²	207	49.2 Å²	49.2	90%	0.9	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.1	176.6	-67.6	-177.8	179.6	178.3	0	112.5	G148	K146-G148 VanDerWaalsContact C-N 3.29Å; K146-G148 PolarHBondContact O-N 3.18Å
147	E	97.8	Very high	98.3	Very high	133 Å²	133	47.2 Å²	47.2	62%	0.621	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	3.2	179.5	-53.1	69.8	-146.6	0	0	112.7	T145 K149	T145-E147 WeakPolarHBondContact CB-OE2 3.24Å; T145-E147 PolarHBondContact O-N 2.83Å; T145-E147 PolarHBondContact OG1-N 3Å; T145-E147 PolarHBondContact OG1-OE2 2.88Å; E147-K149 VanDerWaalsContact C-N 3.27Å; E147-K149 HydrophobicContact CB-CG 4.39Å; E147-K149 PolarHBondContact O-N 3.01Å
148	G	98.3	Very high	98.3	Very high	43 Å²	43	41.4 Å²	41.4	44%	0.443	22%	0.221	S	C	.	.	S	Bend	trans	78.3	6.1	-177.9	0	0	0	0	0	114.7	R144 T145 K146	R144-G148 PolarHBondContact NH1-O 3.36Å; T145-G148 PolarHBondContact O-N 2.94Å; T145-G148 VanDerWaalsContact O-N 3.14Å; K146-G148 VanDerWaalsContact C-N 3.29Å; K146-G148 PolarHBondContact O-N 3.18Å
149	K	98.6	Very high	98.4	Very high	107 Å²	107	40 Å²	40	47%	0.465	22%	0.218	S	C	.	.	S	Bend	trans	-79.6	166.7	175.3	-61.6	-176.7	177.9	-176.8	0	111.3	N95 R144 T145 E147 Y151	N95-K149 HydrophobicContact CB-CB 4.23Å; N95-K149 HydrophobicContact CB-CD 4.36Å; R144-K149 CarbonylContact C-O 3.57Å; R144-K149 WeakPolarHBondContact CA-O 3.31Å; R144-K149 WeakPolarHBondContact CD-O 3.36Å; T145-K149 HydrophobicContact CG2-CB 4.42Å; T145-K149 PolarHBondContact N-O 3.28Å; T145-K149 PolarHBondContact OG1-N 3.17Å; E147-K149 VanDerWaalsContact C-N 3.27Å; E147-K149 HydrophobicContact CB-CG 4.39Å; E147-K149 PolarHBondContact O-N 3.01Å; K149-Y151 PolarHBondContact O-N 2.86Å
150	I	98.9	Very high	98.4	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-64.5	120.7	173.7	-63.2	171.4	0	0	0	109.1	L93 N95 V132 E136 F142 C172	L93-I150 HydrophobicContact CD1-CB 4.24Å; L93-I150 HydrophobicContact CD1-CD1 3.95Å; L93-I150 HydrophobicContact CD1-CG2 4.4Å; N95-I150 WeakPolarHBondContact CB-O 3.15Å; N95-I150 PolarHBondContact ND2-O 2.64Å; V132-I150 HydrophobicContact CG1-CD1 4.01Å; E136-I150 HydrophobicContact CB-CD1 3.97Å; E136-I150 HydrophobicContact CG-CD1 3.94Å; E136-I150 HydrophobicContact CG-CG1 4.2Å; F142-I150 HydrophobicContact CB-CB 4.36Å; F142-I150 HydrophobicContact CB-CG1 3.96Å; F142-I150 HydrophobicContact CB-CG2 3.92Å; F142-I150 HydrophobicContact CD1-CG2 3.82Å; F142-I150 HydrophobicContact CD2-CD1 3.87Å; F142-I150 HydrophobicContact CD2-CG1 4.14Å; F142-I150 HydrophobicContact CE1-CG2 4.49Å; F142-I150 HydrophobicContact CE2-CD1 4.21Å; F142-I150 HydrophobicContact CG-CD1 4.21Å; F142-I150 HydrophobicContact CG-CG1 4.08Å; F142-I150 HydrophobicContact CG-CG2 3.85Å; I150-C172 HydrophobicContact CG2-CB 3.7Å
151	Y	98.8	Very high	98.4	Very high	24 Å²	24	42.8 Å²	42.8	9%	0.094	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-67.3	137.5	172.8	170.2	-100.9	0	0	0	110.8	M96 S143 K149 R153 C173 E296	M96-Y151 HydrophobicContact CE-CD2 3.85Å; M96-Y151 HydrophobicContact CE-CE2 3.81Å; M96-Y151 HydrophobicContact SD-CD2 4Å; M96-Y151 HydrophobicContact SD-CE2 4.46Å; S143-Y151 WeakPolarHBondContact O-CB 3.47Å; S143-Y151 PolarHBondContact O-N 3.48Å; K149-Y151 PolarHBondContact O-N 2.86Å; Y151-R153 HydrophobicContact CE1-CB 3.98Å; Y151-C173 WeakPolarHBondContact CD1-SG 3.24Å; Y151-E296 PolarHBondContact OH-OE1 3.05Å; Y151-E296 PolarHBondContact OH-OE2 3.31Å
152	Q	98.9	Very high	98.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.9	178.1	-45.4	-176.9	-99.6	0	0	109.7	A91 N95 M96 H169 R170 T171 C172	A91-Q152 PolarHBondContact O-NE2 3.4Å; N95-Q152 HydrophobicContact CB-CG 4.4Å; M96-Q152 HydrophobicContact CG-CB 3.68Å; M96-Q152 HydrophobicContact CG-CG 4.26Å; M96-Q152 WeakPolarHBondContact CG-O 2.97Å; M96-Q152 HydrophobicContact SD-CB 4.45Å; Q152-H169 WeakPolarHBondContact CB-O 3.42Å; Q152-R170 VanDerWaalsContact NE2-CA 3.32Å; Q152-R170 PolarHBondContact NE2-O 2.83Å; Q152-R170 VanDerWaalsContact NE2-O 3.15Å; Q152-T171 VanDerWaalsContact CA-O 3.28Å; Q152-T171 WeakPolarHBondContact CA-O 3.19Å; Q152-C172 PolarHBondContact NE2-SG 3.36Å
153	R	98.7	Very high	98.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	165.3	178.2	65.2	-179.3	65.8	179.8	-4.7	111.8	Y151 F155 H169 T171 C173 A175 E296 R361	Y151-R153 HydrophobicContact CE1-CB 3.98Å; R153-F155 HydrophobicContact CG-CD2 4.32Å; R153-H169 WeakPolarHBondContact O-CA 3.39Å; R153-T171 HydrophobicContact CG-CG2 4.15Å; R153-T171 PolarHBondContact N-O 3.48Å; R153-T171 WeakPolarHBondContact O-CB 3.37Å; R153-T171 PolarHBondContact O-N 3.42Å; R153-C173 VanDerWaalsContact CZ-SG 3.56Å; R153-C173 PolarHBondContact NE-SG 3.48Å; R153-C173 PolarHBondContact NH2-SG 3.33Å; R153-A175 PolarHBondContact NH1-O 3.27Å; R153-A175 PolarHBondContact NH2-O 3.06Å; R153-E296 IonicContact CZ-OE1 3.56Å; R153-E296 VanDerWaalsContact CZ-OE1 3.26Å; R153-E296 IonicContact NE-OE1 2.86Å; R153-E296 PolarHBondContact NE-OE1 3.31Å; R153-E296 IonicContact NH1-OE1 3.76Å; R153-E296 IonicContact NH2-OE1 3.72Å; R153-E296 PolarHBondContact NH2-OE1 2.74Å; R153-R361 PolarHBondContact NH1-O 3.47Å; R153-R361 PolarHBondContact NH2-O 2.87Å
154	A	98.7	Very high	98.1	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.033	26%	0.263	C	S	.	.			trans	-70.3	152.8	168.2	0	0	0	0	0	111.1	Q167 H169 G295 L319	A154-Q167 HydrophobicContact CB-CG 3.83Å; A154-H169 PolarHBondContact N-CD2 3.07Å; A154-G295 VanDerWaalsContact O-CA 3.29Å; A154-G295 WeakPolarHBondContact O-CA 3.22Å; A154-L319 HydrophobicContact CB-CD1 4.02Å
155	F	98.4	Very high	98	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.013	26%	0.259	C	S	.	.			trans	-154	166.7	178.2	-126.9	-107.4	0	0	0	110.5	R153 G157 Q158 Q167 T171 E291 G292 A437	R153-F155 HydrophobicContact CG-CD2 4.32Å; F155-G157 PolarHBondContact O-N 3.04Å; F155-Q158 VanDerWaalsContact CB-NE2 3.34Å; F155-Q167 PolarHBondContact O-NE2 3.37Å; F155-Q167 VanDerWaalsContact O-NE2 3.11Å; F155-T171 VanDerWaalsContact CB-OG1 3.28Å; F155-T171 WeakPolarHBondContact CB-OG1 3.29Å; F155-T171 HydrophobicContact CD2-CG2 3.8Å; F155-T171 HydrophobicContact CE2-CG2 4.11Å; F155-T171 HydrophobicContact CG-CG2 4.22Å; F155-E291 HydrophobicContact CD1-CB 4.26Å; F155-E291 HydrophobicContact CD1-CG 3.84Å; F155-E291 WeakPolarHBondContact CD1-OE1 3.23Å; F155-E291 HydrophobicContact CE1-CB 3.62Å; F155-E291 HydrophobicContact CE1-CG 3.73Å; F155-E291 WeakPolarHBondContact CE1-OE1 3.37Å; F155-E291 HydrophobicContact CE2-CB 4.31Å; F155-E291 HydrophobicContact CG-CG 4.28Å; F155-E291 HydrophobicContact CZ-CB 3.63Å; F155-E291 HydrophobicContact CZ-CG 4.08Å; F155-G292 VanDerWaalsContact CE2-CA 3.5Å; F155-A437 HydrophobicContact CD1-CB 4.37Å; F155-A437 HydrophobicContact CE1-CB 4.4Å
156	G	97.3	Very high	97.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.01	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	131.9	-171.8	0	0	0	0	0	113.6	E291 L319	G156-E291 WeakPolarHBondContact CA-OE1 3.47Å; G156-E291 PolarHBondContact N-OE1 2.97Å; G156-L319 CarbonylContact C-O 3.45Å; G156-L319 VanDerWaalsContact CA-O 3.28Å; G156-L319 WeakPolarHBondContact CA-O 3.3Å
157	G	97.4	Very high	98	Very high	7 Å²	7	39.2 Å²	39.2	7%	0.072	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	24.5	173.2	0	0	0	0	0	115.3	F155 L319	F155-G157 PolarHBondContact O-N 3.04Å; G157-L319 PolarHBondContact N-O 2.91Å
158	Q	98.7	Very high	98	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.023	22%	0.215	C	C	.	.			trans	-111.6	131.4	-178.7	-64.5	-176.1	22	0	0	111.7	N90 D107 F155 Q167 A168 T171	N90-Q158 VanDerWaalsContact CG-NE2 3.33Å; N90-Q158 PolarHBondContact ND2-NE2 2.83Å; N90-Q158 VanDerWaalsContact ND2-NE2 3.17Å; N90-Q158 PolarHBondContact OD1-NE2 2.83Å; D107-Q158 WeakPolarHBondContact OD2-CA 3.34Å; F155-Q158 VanDerWaalsContact CB-NE2 3.34Å; Q158-Q167 PolarHBondContact O-NE2 3.36Å; Q158-Q167 VanDerWaalsContact O-NE2 3.12Å; Q158-A168 HydrophobicContact CB-CB 4.26Å; Q158-A168 PolarHBondContact O-N 2.81Å; Q158-T171 PolarHBondContact NE2-OG1 3.25Å; Q158-T171 VanDerWaalsContact NE2-OG1 3.15Å
159	S	98.6	Very high	98	Very high	16 Å²	16	34.1 Å²	34.1	11%	0.112	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-141.4	160.8	-175	71.6	0	0	0	0	113.5	D107 G163 G166 R170	D107-S159 PolarHBondContact OD1-N 3.39Å; D107-S159 PolarHBondContact OD1-OG 3.46Å; D107-S159 PolarHBondContact OD2-N 3.43Å; S159-G163 WeakPolarHBondContact OG-CA 3.32Å; S159-G163 PolarHBondContact OG-N 3.5Å; S159-G163 VanDerWaalsContact OG-N 3.11Å; S159-G166 CarbonylContact C-O 3.56Å; S159-G166 WeakPolarHBondContact CA-O 3.49Å; S159-G166 WeakPolarHBondContact CB-O 3.27Å; S159-R170 PolarHBondContact O-NH2 3.09Å
160	L	98.6	Very high	98	Very high	25 Å²	25	29 Å²	29	13%	0.131	19%	0.187	C	C	.	.	S	Bend	trans	-93.8	162.1	170.5	-53.1	173.5	0	0	0	110.2	E97 W103 F162 G163 A164 G165 G166 A168	E97-L160 HydrophobicContact CG-CD1 3.99Å; E97-L160 HydrophobicContact CG-CD2 4.2Å; W103-L160 HydrophobicContact CE3-CB 3.98Å; W103-L160 HydrophobicContact CE3-CD2 3.81Å; W103-L160 HydrophobicContact CZ3-CB 3.95Å; W103-L160 HydrophobicContact CZ3-CD2 3.79Å; W103-L160 HydrophobicContact CZ3-CG 4.42Å; L160-F162 PolarHBondContact O-N 3.26Å; L160-G163 PolarHBondContact O-N 2.94Å; L160-A164 PolarHBondContact O-N 2.9Å; L160-G165 WeakPolarHBondContact O-CA 3.38Å; L160-G165 PolarHBondContact O-N 3.48Å; L160-G166 PolarHBondContact N-O 3.41Å; L160-A168 HydrophobicContact CD2-CB 3.56Å; L160-A168 HydrophobicContact CG-CB 4.01Å
161	N	97.9	Very high	98	Very high	87 Å²	87	28.7 Å²	28.7	47%	0.465	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	47.2	54	174.3	-65.9	-35.5	0	0	0	114.2	W103 G163 A164	W103-N161 VanDerWaalsContact CD2-N 3.27Å; W103-N161 VanDerWaalsContact CH2-OD1 3.31Å; W103-N161 WeakPolarHBondContact CH2-OD1 3.5Å; W103-N161 WeakPolarHBondContact CZ2-OD1 3.44Å; N161-G163 VanDerWaalsContact C-N 3.29Å; N161-G163 PolarHBondContact O-N 3.15Å; N161-A164 WeakPolarHBondContact O-CB 3.48Å; N161-A164 PolarHBondContact O-N 3.04Å; N161-A164 VanDerWaalsContact O-N 3.07Å
162	F	97.5	Very high	98	Very high	100 Å²	100	27.6 Å²	27.6	44%	0.439	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	53.3	39.7	176.7	-54	-83	0	0	0	114.3	R102 W103 Y106 L160	R102-F162 HydrophobicContact CB-CE1 4.17Å; R102-F162 HydrophobicContact CB-CZ 4.15Å; W103-F162 AromaticContact CD1-CD2 3.82Å; W103-F162 AromaticContact CD1-CE2 3.65Å; W103-F162 AromaticContact CD1-CZ 3.75Å; W103-F162 AromaticContact NE1-CD2 3.91Å; W103-F162 AromaticContact NE1-CE2 3.58Å; Y106-F162 VanDerWaalsContact CD1-C 3.48Å; Y106-F162 HydrophobicContact CD1-CB 4.3Å; Y106-F162 HydrophobicContact CD2-CB 4.28Å; Y106-F162 HydrophobicContact CD2-CD1 4.3Å; Y106-F162 WeakPolarHBondContact CE1-O 3.19Å; Y106-F162 HydrophobicContact CG-CB 4.14Å; Y106-F162 HydrophobicContact CG-CD1 4.04Å; Y106-F162 PolarHBondContact OH-O 2.77Å; L160-F162 PolarHBondContact O-N 3.26Å
163	G	96.6	Very high	98	Very high	38 Å²	38	27.5 Å²	27.5	39%	0.392	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	94.4	-6	-179.9	0	0	0	0	0	115.6	S159 L160 N161	S159-G163 WeakPolarHBondContact OG-CA 3.32Å; S159-G163 PolarHBondContact OG-N 3.5Å; S159-G163 VanDerWaalsContact OG-N 3.11Å; L160-G163 PolarHBondContact O-N 2.94Å; N161-G163 VanDerWaalsContact C-N 3.29Å; N161-G163 PolarHBondContact O-N 3.15Å
164	A	96.3	Very high	98	Very high	90 Å²	90	28.4 Å²	28.4	74%	0.744	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-14.8	-174.2	0	0	0	0	0	114.2	L160 N161	L160-A164 PolarHBondContact O-N 2.9Å; N161-A164 WeakPolarHBondContact O-CB 3.48Å; N161-A164 PolarHBondContact O-N 3.04Å; N161-A164 VanDerWaalsContact O-N 3.07Å
165	G	96.2	Very high	98	Very high	30 Å²	30	28.9 Å²	28.9	31%	0.309	19%	0.19	S	C	.	.	S	Bend	trans	-96.1	12.7	-170	0	0	0	0	0	115.8	L160	L160-G165 WeakPolarHBondContact O-CA 3.38Å; L160-G165 PolarHBondContact O-N 3.48Å
166	G	96.9	Very high	98	Very high	45 Å²	45	28.8 Å²	28.8	46%	0.464	19%	0.19	S	C	.	.			trans	82	-170.3	-175.4	0	0	0	0	0	113.7	S159 L160	S159-G166 CarbonylContact C-O 3.56Å; S159-G166 WeakPolarHBondContact CA-O 3.49Å; S159-G166 WeakPolarHBondContact CB-O 3.27Å; L160-G166 PolarHBondContact N-O 3.41Å
167	Q	98.3	Very high	98.1	Very high	59 Å²	59	34.1 Å²	34.1	28%	0.276	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-68.6	133.3	-176.7	178	64.3	57.4	0	0	111.2	A154 F155 Q158 L319	A154-Q167 HydrophobicContact CB-CG 3.83Å; F155-Q167 PolarHBondContact O-NE2 3.37Å; F155-Q167 VanDerWaalsContact O-NE2 3.11Å; Q158-Q167 PolarHBondContact O-NE2 3.36Å; Q158-Q167 VanDerWaalsContact O-NE2 3.12Å; Q167-L319 HydrophobicContact CG-CD1 4.24Å
168	A	98.6	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.206	C	C	.	.			trans	-94.7	154.1	174	0	0	0	0	0	112.6	Q158 L160 R170	Q158-A168 HydrophobicContact CB-CB 4.26Å; Q158-A168 PolarHBondContact O-N 2.81Å; L160-A168 HydrophobicContact CD2-CB 3.56Å; L160-A168 HydrophobicContact CG-CB 4.01Å; A168-R170 VanDerWaalsContact CB-CZ 3.5Å; A168-R170 VanDerWaalsContact CB-NH2 3.34Å
169	H	98.8	Very high	98.2	Very high	68 Å²	68	33.6 Å²	33.6	32%	0.315	21%	0.205	S	C	.	.			trans	-118.1	80.5	173.2	-52.7	81.7	0	0	0	110.2	M96 E97 Q152 R153 A154	M96-H169 HydrophobicContact CB-CB 3.89Å; M96-H169 HydrophobicContact CG-CB 3.94Å; E97-H169 WeakPolarHBondContact OE1-CB 3.4Å; E97-H169 IonicContact OE1-CG 3.46Å; E97-H169 PolarHBondContact OE1-N 2.95Å; E97-H169 IonicContact OE1-ND1 3.51Å; E97-H169 PolarHBondContact OE1-ND1 3.21Å; E97-H169 IonicContact OE2-CG 2.73Å; E97-H169 IonicContact OE2-ND1 3.71Å; E97-H169 PolarHBondContact OE2-ND1 3.09Å; E97-H169 VanDerWaalsContact OE2-ND1 3.11Å; Q152-H169 WeakPolarHBondContact CB-O 3.42Å; R153-H169 WeakPolarHBondContact O-CA 3.39Å; A154-H169 PolarHBondContact N-CD2 3.07Å
170	R	98.8	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.218	C	C	.	.			trans	-121.8	3.6	-178.8	70.9	173.3	68.5	92.9	-1.6	115.5	N90 A91 D99 D107 Q152 S159 A168 C172	N90-R170 WeakPolarHBondContact CA-O 3.37Å; A91-R170 PolarHBondContact N-O 3Å; D99-R170 IonicContact OD1-CZ 3.56Å; D99-R170 IonicContact OD1-NE 2.96Å; D99-R170 IonicContact OD1-NH2 3.61Å; D99-R170 PolarHBondContact OD1-NH2 3.49Å; D99-R170 WeakPolarHBondContact OD2-CB 3.39Å; D99-R170 IonicContact OD2-CZ 3.59Å; D99-R170 IonicContact OD2-NE 2.75Å; D99-R170 PolarHBondContact OD2-NE 2.94Å; D99-R170 IonicContact OD2-NH2 2.92Å; D107-R170 IonicContact OD2-CZ 2.84Å; D107-R170 IonicContact OD2-NH1 2.98Å; D107-R170 PolarHBondContact OD2-NH1 2.94Å; D107-R170 IonicContact OD2-NH2 3.19Å; Q152-R170 VanDerWaalsContact NE2-CA 3.32Å; Q152-R170 PolarHBondContact NE2-O 2.83Å; Q152-R170 VanDerWaalsContact NE2-O 3.15Å; S159-R170 PolarHBondContact O-NH2 3.09Å; A168-R170 VanDerWaalsContact CB-CZ 3.5Å; A168-R170 VanDerWaalsContact CB-NH2 3.34Å; R170-C172 PolarHBondContact O-N 3.47Å
171	T	98.9	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	97.7	177.2	-62.7	0	0	0	0	110.2	G87 N90 Q152 R153 F155 Q158 A437	G87-T171 WeakPolarHBondContact O-CG2 3.5Å; N90-T171 WeakPolarHBondContact OD1-CA 3.42Å; N90-T171 WeakPolarHBondContact OD1-CB 3.34Å; N90-T171 PolarHBondContact OD1-OG1 2.89Å; Q152-T171 VanDerWaalsContact CA-O 3.28Å; Q152-T171 WeakPolarHBondContact CA-O 3.19Å; R153-T171 HydrophobicContact CG-CG2 4.15Å; R153-T171 PolarHBondContact N-O 3.48Å; R153-T171 WeakPolarHBondContact O-CB 3.37Å; R153-T171 PolarHBondContact O-N 3.42Å; F155-T171 VanDerWaalsContact CB-OG1 3.28Å; F155-T171 WeakPolarHBondContact CB-OG1 3.29Å; F155-T171 HydrophobicContact CD2-CG2 3.8Å; F155-T171 HydrophobicContact CE2-CG2 4.11Å; F155-T171 HydrophobicContact CG-CG2 4.22Å; Q158-T171 PolarHBondContact NE2-OG1 3.25Å; Q158-T171 VanDerWaalsContact NE2-OG1 3.15Å; T171-A437 HydrophobicContact CG2-CB 3.55Å
172	C	98.9	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	131.8	173.8	-53.5	0	0	0	0	109.9	G88 V89 V132 F142 I150 Q152 R170	G88-C172 CarbonylContact C-O 3.58Å; G88-C172 WeakPolarHBondContact CA-O 3.49Å; V89-C172 HydrophobicContact CG1-CB 4.03Å; V89-C172 PolarHBondContact N-O 2.59Å; V89-C172 VanDerWaalsContact O-CB 3.32Å; V89-C172 WeakPolarHBondContact O-CB 3.48Å; V89-C172 PolarHBondContact O-N 3.37Å; V132-C172 HydrophobicContact CG1-CB 4.17Å; F142-C172 HydrophobicContact CD1-CB 4.16Å; F142-C172 HydrophobicContact CE1-CB 3.77Å; I150-C172 HydrophobicContact CG2-CB 3.7Å; Q152-C172 PolarHBondContact NE2-SG 3.36Å; R170-C172 PolarHBondContact O-N 3.47Å
173	C	98.8	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.173	C	C	.	.			trans	-141.7	156.8	-172.3	66.6	0	0	0	0	114.4	G87 S143 Y151 R153 A175 T178	G87-C173 WeakPolarHBondContact O-CB 3.42Å; S143-C173 PolarHBondContact N-O 2.88Å; Y151-C173 WeakPolarHBondContact CD1-SG 3.24Å; R153-C173 VanDerWaalsContact CZ-SG 3.56Å; R153-C173 PolarHBondContact NE-SG 3.48Å; R153-C173 PolarHBondContact NH2-SG 3.33Å; C173-A175 WeakPolarHBondContact CB-O 3.32Å; C173-T178 WeakPolarHBondContact CA-OG1 3.35Å
174	V	98.8	Very high	98.4	Very high	19 Å²	19	29.3 Å²	29.3	12%	0.115	17%	0.172	C	C	.	.	S	Bend	trans	-109.8	85.1	164.8	-176.2	0	0	0	0	107	M140 P141 F142 D176 R177 T178 S181	M140-V174 HydrophobicContact CE-CG2 3.77Å; M140-V174 HydrophobicContact CG-CG2 4.36Å; P141-V174 HydrophobicContact CG-CG1 4.28Å; P141-V174 VanDerWaalsContact O-CG1 3.3Å; P141-V174 WeakPolarHBondContact O-CG1 3.47Å; P141-V174 WeakPolarHBondContact O-CG2 3.37Å; F142-V174 HydrophobicContact CD1-CG2 4.25Å; V174-D176 PolarHBondContact O-N 3.37Å; V174-D176 VanDerWaalsContact O-N 3.13Å; V174-R177 CarbonylContact O-C 3.49Å; V174-R177 PolarHBondContact O-N 2.97Å; V174-T178 PolarHBondContact N-OG1 3.4Å; V174-S181 WeakPolarHBondContact CG1-OG 3.08Å
175	A	98.5	Very high	98.5	Very high	14 Å²	14	25.8 Å²	25.8	12%	0.116	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	-122.7	-163.7	0	0	0	0	0	109.8	S143 R153 C173 R361 P363	S143-A175 PolarHBondContact OG-N 2.95Å; R153-A175 PolarHBondContact NH1-O 3.27Å; R153-A175 PolarHBondContact NH2-O 3.06Å; C173-A175 WeakPolarHBondContact CB-O 3.32Å; A175-R361 CarbonylContact C-O 3.22Å; A175-P363 HydrophobicContact CB-CG 3.95Å
176	D	98.4	Very high	98.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	30.2	171.7	63.5	-12.2	0	0	0	113.1	Q86 V174 T290 R361 L362 P363 G364 I365	Q86-D176 WeakPolarHBondContact CA-O 3.43Å; Q86-D176 HydrophobicContact CB-CB 4.45Å; Q86-D176 WeakPolarHBondContact CB-O 3.32Å; Q86-D176 WeakPolarHBondContact CG-O 3.36Å; Q86-D176 CarbonylContact O-C 3.58Å; V174-D176 PolarHBondContact O-N 3.37Å; V174-D176 VanDerWaalsContact O-N 3.13Å; D176-T290 HydrophobicContact CB-CG2 4.06Å; D176-R361 PolarHBondContact N-O 2.73Å; D176-L362 HydrophobicContact CB-CD2 4.4Å; D176-L362 VanDerWaalsContact OD2-CA 3.31Å; D176-L362 WeakPolarHBondContact OD2-CA 3.41Å; D176-P363 VanDerWaalsContact OD1-CD 3.25Å; D176-P363 WeakPolarHBondContact OD1-CD 3.28Å; D176-G364 VanDerWaalsContact CG-N 3.26Å; D176-G364 WeakPolarHBondContact OD1-CA 3.39Å; D176-G364 PolarHBondContact OD1-N 3.27Å; D176-G364 VanDerWaalsContact OD2-CA 3.31Å; D176-G364 WeakPolarHBondContact OD2-CA 3.41Å; D176-G364 PolarHBondContact OD2-N 2.64Å; D176-I365 PolarHBondContact OD2-N 2.83Å
177	R	98.6	Very high	98.6	Very high	113 Å²	113	24.2 Å²	24.2	43%	0.426	11%	0.113	S	C	.	.			trans	-124.7	30.8	178.7	-60.7	-173.2	178.1	111.8	-1.9	112.2	V174 G179 H180 S181	V174-R177 CarbonylContact O-C 3.49Å; V174-R177 PolarHBondContact O-N 2.97Å; R177-G179 VanDerWaalsContact C-N 3.33Å; R177-G179 PolarHBondContact O-N 3.28Å; R177-H180 HydrophobicContact CB-CB 4.34Å; R177-H180 WeakPolarHBondContact O-CB 3.48Å; R177-H180 PolarHBondContact O-N 2.89Å; R177-S181 PolarHBondContact O-N 3.26Å; R177-S181 VanDerWaalsContact O-N 3.12Å
178	T	98.8	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-39.9	-171.7	-50.1	0	0	0	0	113.2	Q86 G88 V89 M140 C173 V174 S181 M182 L440	Q86-T178 VanDerWaalsContact O-CB 3.31Å; Q86-T178 WeakPolarHBondContact O-CB 3.29Å; Q86-T178 PolarHBondContact O-N 3.28Å; Q86-T178 VanDerWaalsContact O-N 3.16Å; Q86-T178 PolarHBondContact O-OG1 2.97Å; G88-T178 WeakPolarHBondContact CA-OG1 3.44Å; V89-T178 HydrophobicContact CG1-CG2 4.5Å; M140-T178 HydrophobicContact CE-CG2 3.47Å; M140-T178 VanDerWaalsContact CE-CG2 3.47Å; M140-T178 WeakPolarHBondContact CE-O 3.33Å; C173-T178 WeakPolarHBondContact CA-OG1 3.35Å; V174-T178 PolarHBondContact N-OG1 3.4Å; T178-S181 PolarHBondContact O-N 3.07Å; T178-M182 VanDerWaalsContact O-CB 3.3Å; T178-M182 WeakPolarHBondContact O-CB 3.25Å; T178-M182 PolarHBondContact O-N 3.4Å; T178-L440 HydrophobicContact CG2-CD1 4.12Å
179	G	98.7	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.4	-41.2	177.4	0	0	0	0	0	113.5	T82 A85 R177 M182 L183	T82-G179 CarbonylContact O-C 3.58Å; T82-G179 VanDerWaalsContact O-C 3.29Å; T82-G179 WeakPolarHBondContact O-CA 3.03Å; A85-G179 VanDerWaalsContact O-CA 3.22Å; A85-G179 WeakPolarHBondContact O-CA 3.43Å; A85-G179 PolarHBondContact O-N 3.2Å; R177-G179 VanDerWaalsContact C-N 3.33Å; R177-G179 PolarHBondContact O-N 3.28Å; G179-M182 PolarHBondContact O-N 3.12Å; G179-L183 VanDerWaalsContact O-CB 3.32Å; G179-L183 WeakPolarHBondContact O-CB 3.35Å; G179-L183 PolarHBondContact O-N 3.15Å
180	H	98.7	Very high	98	Very high	81 Å²	81	24.6 Å²	24.6	38%	0.375	12%	0.121	S	C	.	.	H	α-helix	trans	-56.5	-54	173.3	169.7	80	0	0	0	110.5	V83 R177 L183 H184	V83-H180 HydrophobicContact CG2-CB 4.19Å; V83-H180 WeakPolarHBondContact O-CA 3.36Å; V83-H180 WeakPolarHBondContact O-CB 3.37Å; V83-H180 PolarHBondContact O-N 3.46Å; V83-H180 VanDerWaalsContact O-N 3.11Å; R177-H180 HydrophobicContact CB-CB 4.34Å; R177-H180 WeakPolarHBondContact O-CB 3.48Å; R177-H180 PolarHBondContact O-N 2.89Å; H180-L183 PolarHBondContact O-N 3.1Å; H180-H184 AromaticContact CE1-CD2 3.38Å; H180-H184 PolarHBondContact CE1-CD2 3.22Å; H180-H184 AromaticContact CE1-NE2 3.39Å; H180-H184 PolarHBondContact CE1-NE2 3.14Å; H180-H184 AromaticContact ND1-CD2 3.53Å; H180-H184 AromaticContact ND1-NE2 3.7Å; H180-H184 AromaticContact NE2-CD2 3.97Å; H180-H184 PolarHBondContact O-CD2 3.35Å; H180-H184 VanDerWaalsContact O-CD2 3.3Å; H180-H184 PolarHBondContact O-N 3.28Å
181	S	98.8	Very high	97.8	Very high	13 Å²	13	29.6 Å²	29.6	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-45.5	179.4	-65.2	0	0	0	0	112.6	V174 R177 T178 L183 H184 T185	V174-S181 WeakPolarHBondContact CG1-OG 3.08Å; R177-S181 PolarHBondContact O-N 3.26Å; R177-S181 VanDerWaalsContact O-N 3.12Å; T178-S181 PolarHBondContact O-N 3.07Å; S181-L183 PolarHBondContact O-N 2.67Å; S181-H184 PolarHBondContact O-N 2.77Å; S181-T185 WeakPolarHBondContact O-CB 3.33Å; S181-T185 PolarHBondContact O-N 2.96Å; S181-T185 PolarHBondContact O-OG1 3.42Å
182	M	98.8	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-47.3	178.2	-179.5	-179.1	-67.1	0	0	111.7	V89 L135 M140 T178 G179 T185 L186 L440 V444	V89-M182 HydrophobicContact CB-CE 4.05Å; V89-M182 HydrophobicContact CG1-CE 4.18Å; V89-M182 HydrophobicContact CG2-CE 4.26Å; L135-M182 HydrophobicContact CD1-CE 3.69Å; L135-M182 HydrophobicContact CD2-CG 4.39Å; M140-M182 HydrophobicContact CE-CB 3.81Å; M140-M182 HydrophobicContact CE-CE 4.41Å; M140-M182 HydrophobicContact SD-CB 3.97Å; M140-M182 HydrophobicContact SD-CG 4.43Å; T178-M182 VanDerWaalsContact O-CB 3.3Å; T178-M182 WeakPolarHBondContact O-CB 3.25Å; T178-M182 PolarHBondContact O-N 3.4Å; G179-M182 PolarHBondContact O-N 3.12Å; M182-T185 PolarHBondContact O-N 2.9Å; M182-L186 HydrophobicContact CG-CD1 3.93Å; M182-L186 HydrophobicContact CG-CG 4.46Å; M182-L186 WeakPolarHBondContact O-CB 3.37Å; M182-L186 WeakPolarHBondContact O-CG 3.45Å; M182-L186 PolarHBondContact O-N 2.75Å; M182-L440 HydrophobicContact CE-CB 3.76Å; M182-L440 HydrophobicContact CE-CD1 3.99Å; M182-L440 HydrophobicContact CE-CG 4.33Å; M182-L440 HydrophobicContact SD-CB 4.09Å; M182-L440 HydrophobicContact SD-CD1 4.39Å; M182-L440 HydrophobicContact SD-CD2 4Å; M182-L440 HydrophobicContact SD-CG 4.39Å; M182-V444 HydrophobicContact SD-CG1 4.01Å
183	L	98.7	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-42	-176.7	-170.4	67.3	0	0	0	111.8	L56 T82 V83 G179 H180 S181 Y187	L56-L183 HydrophobicContact CD1-CD1 3.74Å; T82-L183 HydrophobicContact CG2-CB 4.19Å; T82-L183 HydrophobicContact CG2-CD1 4.18Å; V83-L183 HydrophobicContact CB-CD2 3.68Å; V83-L183 HydrophobicContact CG2-CD2 4.31Å; G179-L183 VanDerWaalsContact O-CB 3.32Å; G179-L183 WeakPolarHBondContact O-CB 3.35Å; G179-L183 PolarHBondContact O-N 3.15Å; H180-L183 PolarHBondContact O-N 3.1Å; S181-L183 PolarHBondContact O-N 2.67Å; L183-Y187 WeakPolarHBondContact O-CB 3.42Å; L183-Y187 PolarHBondContact O-N 3.16Å
184	H	98.7	Very high	96.6	Very high	82 Å²	82	43.4 Å²	43.4	38%	0.38	23%	0.228	S	C	.	.	H	α-helix	trans	-65.9	-39.5	175.3	-85.8	-90.2	0	0	0	112.4	H180 S181 G188	H180-H184 AromaticContact CE1-CD2 3.38Å; H180-H184 PolarHBondContact CE1-CD2 3.22Å; H180-H184 AromaticContact CE1-NE2 3.39Å; H180-H184 PolarHBondContact CE1-NE2 3.14Å; H180-H184 AromaticContact ND1-CD2 3.53Å; H180-H184 AromaticContact ND1-NE2 3.7Å; H180-H184 AromaticContact NE2-CD2 3.97Å; H180-H184 PolarHBondContact O-CD2 3.35Å; H180-H184 VanDerWaalsContact O-CD2 3.3Å; H180-H184 PolarHBondContact O-N 3.28Å; S181-H184 PolarHBondContact O-N 2.77Å; H184-G188 PolarHBondContact O-N 2.79Å
185	T	98.5	Very high	96.1	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.104	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-47.8	174.7	-63.8	0	0	0	0	111.4	M140 S181 M182 G188 R189	M140-T185 WeakPolarHBondContact CA-OG1 3.27Å; M140-T185 HydrophobicContact CB-CG2 4.1Å; S181-T185 WeakPolarHBondContact O-CB 3.33Å; S181-T185 PolarHBondContact O-N 2.96Å; S181-T185 PolarHBondContact O-OG1 3.42Å; M182-T185 PolarHBondContact O-N 2.9Å; T185-G188 PolarHBondContact O-N 2.8Å; T185-R189 WeakPolarHBondContact O-CB 3.39Å; T185-R189 PolarHBondContact O-N 2.9Å
186	L	98.1	Very high	96	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-45.3	178.3	-73.1	172.4	0	0	0	111.7	L56 R57 L135 M182 R189 T190 V444	L56-L186 HydrophobicContact CB-CB 4.09Å; L56-L186 HydrophobicContact CD1-CB 4.22Å; R57-L186 HydrophobicContact CB-CD2 4.48Å; L135-L186 HydrophobicContact CD2-CD2 3.88Å; L135-L186 HydrophobicContact CD2-CG 4.18Å; M182-L186 HydrophobicContact CG-CD1 3.93Å; M182-L186 HydrophobicContact CG-CG 4.46Å; M182-L186 WeakPolarHBondContact O-CB 3.37Å; M182-L186 WeakPolarHBondContact O-CG 3.45Å; M182-L186 PolarHBondContact O-N 2.75Å; L186-R189 PolarHBondContact O-N 3.09Å; L186-T190 WeakPolarHBondContact O-CG2 3.35Å; L186-T190 PolarHBondContact O-N 3.33Å; L186-T190 PolarHBondContact O-OG1 3.22Å; L186-V444 HydrophobicContact CD1-CG1 4.31Å
187	Y	97.3	Very high	96	Very high	40 Å²	40	46.2 Å²	46.2	16%	0.157	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-48.5	176.7	179.2	-116	0	0	0	111.2	L56 F76 P77 T78 L183 R189 T190 L191	L56-Y187 HydrophobicContact CD2-CD2 4.45Å; F76-Y187 HydrophobicContact CE1-CE1 4.15Å; F76-Y187 AromaticContact CZ-CE1 3.67Å; F76-Y187 HydrophobicContact CZ-CE1 3.67Å; F76-Y187 AromaticContact CZ-CZ 3.6Å; F76-Y187 WeakPolarHBondContact CZ-OH 3.48Å; P77-Y187 HydrophobicContact CB-CD2 3.71Å; P77-Y187 HydrophobicContact CB-CE2 4.05Å; P77-Y187 HydrophobicContact CB-CG 4.32Å; P77-Y187 HydrophobicContact CG-CD2 3.9Å; P77-Y187 HydrophobicContact CG-CE2 3.74Å; T78-Y187 HydrophobicContact CG2-CD1 3.72Å; T78-Y187 HydrophobicContact CG2-CE1 4.45Å; T78-Y187 HydrophobicContact CG2-CG 4.01Å; L183-Y187 WeakPolarHBondContact O-CB 3.42Å; L183-Y187 PolarHBondContact O-N 3.16Å; Y187-R189 PolarHBondContact O-N 2.92Å; Y187-T190 WeakPolarHBondContact CA-OG1 3.3Å; Y187-T190 PolarHBondContact O-N 2.98Å; Y187-T190 VanDerWaalsContact O-N 3.12Å; Y187-T190 PolarHBondContact O-OG1 2.98Å; Y187-L191 HydrophobicContact CD1-CD1 4.5Å; Y187-L191 HydrophobicContact CE1-CD1 4.06Å; Y187-L191 HydrophobicContact CE2-CD2 4.09Å; Y187-L191 WeakPolarHBondContact O-CG 3.25Å; Y187-L191 PolarHBondContact O-N 3.26Å
188	G	96.4	Very high	96	Very high	40 Å²	40	42 Å²	42	41%	0.412	23%	0.226	S	C	.	.	H	α-helix	trans	-56.4	-40.2	175.8	0	0	0	0	0	112.4	H184 T185 L191	H184-G188 PolarHBondContact O-N 2.79Å; T185-G188 PolarHBondContact O-N 2.8Å; G188-L191 WeakPolarHBondContact O-CB 3.34Å; G188-L191 PolarHBondContact O-N 3.04Å
189	R	94.1	Very high	95.9	Very high	94 Å²	94	45 Å²	45	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-67.6	-39	177.3	-174.2	60.2	-175	-175	4.4	112.6	M60 Y138 T185 L186 Y187 L191 A192 Y193	M60-R189 HydrophobicContact CG-CG 4.34Å; M60-R189 HydrophobicContact SD-CB 4.07Å; M60-R189 HydrophobicContact SD-CG 3.36Å; M60-R189 WeakPolarHBondContact SD-CG 3.17Å; Y138-R189 HydrophobicContact CD1-CG 4.05Å; Y138-R189 HydrophobicContact CD2-CG 4.41Å; Y138-R189 HydrophobicContact CE1-CG 4.26Å; Y138-R189 HydrophobicContact CG-CG 4.14Å; T185-R189 WeakPolarHBondContact O-CB 3.39Å; T185-R189 PolarHBondContact O-N 2.9Å; L186-R189 PolarHBondContact O-N 3.09Å; Y187-R189 PolarHBondContact O-N 2.92Å; R189-L191 PolarHBondContact O-N 2.8Å; R189-A192 WeakPolarHBondContact O-CB 3.36Å; R189-A192 PolarHBondContact O-N 3.32Å; R189-A192 VanDerWaalsContact O-N 3.15Å; R189-Y193 HydrophobicContact CG-CE2 4.35Å; R189-Y193 PolarHBondContact NH2-OH 2.93Å; R189-Y193 WeakPolarHBondContact O-CD2 3.42Å; R189-Y193 WeakPolarHBondContact O-CE2 3.36Å
190	T	93.4	Very high	95.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-26.2	176.9	47.5	0	0	0	0	113.6	L56 M60 L186 Y187 A192 Y193 Y197	L56-T190 HydrophobicContact CB-CG2 4.46Å; L56-T190 HydrophobicContact CD2-CG2 4.29Å; M60-T190 HydrophobicContact CB-CG2 3.85Å; M60-T190 HydrophobicContact CG-CG2 4.49Å; L186-T190 WeakPolarHBondContact O-CG2 3.35Å; L186-T190 PolarHBondContact O-N 3.33Å; L186-T190 PolarHBondContact O-OG1 3.22Å; Y187-T190 WeakPolarHBondContact CA-OG1 3.3Å; Y187-T190 PolarHBondContact O-N 2.98Å; Y187-T190 VanDerWaalsContact O-N 3.12Å; Y187-T190 PolarHBondContact O-OG1 2.98Å; T190-A192 PolarHBondContact O-N 3.34Å; T190-Y193 PolarHBondContact O-N 2.94Å; T190-Y193 VanDerWaalsContact O-N 3.14Å; T190-Y197 WeakPolarHBondContact CB-OH 3.24Å; T190-Y197 PolarHBondContact OG1-OH 2.76Å
191	L	94	Very high	95.9	Very high	105 Å²	105	45.6 Å²	45.6	55%	0.55	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-15.2	175.9	-60.7	177	0	0	0	113.4	Y187 G188 R189 Y193	Y187-L191 HydrophobicContact CD1-CD1 4.5Å; Y187-L191 HydrophobicContact CE1-CD1 4.06Å; Y187-L191 HydrophobicContact CE2-CD2 4.09Å; Y187-L191 WeakPolarHBondContact O-CG 3.25Å; Y187-L191 PolarHBondContact O-N 3.26Å; G188-L191 WeakPolarHBondContact O-CB 3.34Å; G188-L191 PolarHBondContact O-N 3.04Å; R189-L191 PolarHBondContact O-N 2.8Å; L191-Y193 PolarHBondContact O-N 2.9Å
192	A	91.6	Very high	95.9	Very high	73 Å²	73	45.1 Å²	45.1	60%	0.603	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.9	173.8	0	0	0	0	0	113.3	R189 T190	R189-A192 WeakPolarHBondContact O-CB 3.36Å; R189-A192 PolarHBondContact O-N 3.32Å; R189-A192 VanDerWaalsContact O-N 3.15Å; T190-A192 PolarHBondContact O-N 3.34Å
193	Y	91.1	Very high	95.9	Very high	55 Å²	55	45.5 Å²	45.5	22%	0.216	24%	0.243	C	C	.	.	S	Bend	trans	-121.8	161.4	-177.1	-57.8	-90.8	0	0	0	111.3	M60 V63 E64 R189 T190 L191 C195	M60-Y193 HydrophobicContact CG-CE2 4.04Å; V63-Y193 HydrophobicContact CB-CG 4.49Å; V63-Y193 HydrophobicContact CG2-CD1 3.84Å; V63-Y193 HydrophobicContact CG2-CD2 4.12Å; V63-Y193 HydrophobicContact CG2-CG 3.53Å; E64-Y193 HydrophobicContact CB-CE1 4.1Å; E64-Y193 HydrophobicContact CG-CE1 4.49Å; R189-Y193 HydrophobicContact CG-CE2 4.35Å; R189-Y193 PolarHBondContact NH2-OH 2.93Å; R189-Y193 WeakPolarHBondContact O-CD2 3.42Å; R189-Y193 WeakPolarHBondContact O-CE2 3.36Å; T190-Y193 PolarHBondContact O-N 2.94Å; T190-Y193 VanDerWaalsContact O-N 3.14Å; L191-Y193 PolarHBondContact O-N 2.9Å; Y193-C195 PolarHBondContact O-N 3.35Å
194	N	88	Confident	95.9	Very high	162 Å²	162	45.9 Å²	45.9	87%	0.866	25%	0.245	S	C	*	.			trans	-81.1	59.5	175.7	-167.5	21.3	0	0	0	112
195	C	88.6	Confident	96	Very high	14 Å²	14	43 Å²	43	10%	0.095	23%	0.232	C	C	.	.			trans	-84.3	122.7	176.8	-174.7	0	0	0	0	110	V63 V71 Y193 Y197	V63-C195 HydrophobicContact CG1-CB 4.07Å; V71-C195 WeakPolarHBondContact CG2-SG 3.38Å; Y193-C195 PolarHBondContact O-N 3.35Å; C195-Y197 HydrophobicContact CB-CD2 4.35Å; C195-Y197 HydrophobicContact CB-CE2 3.74Å; C195-Y197 VanDerWaalsContact O-CD2 3.3Å; C195-Y197 WeakPolarHBondContact O-CD2 3.44Å; C195-Y197 PolarHBondContact O-N 2.95Å
196	A	96.4	Very high	96	Very high	25 Å²	25	42.9 Å²	42.9	21%	0.207	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.8	-178.9	0	0	0	0	0	110.6	Y44 T69 A70 V71 F198	Y44-A196 HydrophobicContact CE1-CB 3.62Å; T69-A196 PolarHBondContact O-N 3.02Å; T69-A196 VanDerWaalsContact O-N 3.14Å; A70-A196 CarbonylContact C-O 3.38Å; A70-A196 WeakPolarHBondContact CA-O 3.44Å; V71-A196 PolarHBondContact N-O 3.21Å; A196-F198 HydrophobicContact CB-CE2 4.18Å
197	Y	98.2	Very high	96	Very high	55 Å²	55	43.2 Å²	43.2	22%	0.216	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.8	178.4	-75.5	-89	0	0	0	112	L56 V71 P77 T190 C195 L199	L56-Y197 HydrophobicContact CD2-CE1 4.07Å; L56-Y197 WeakPolarHBondContact CD2-OH 3.4Å; V71-Y197 HydrophobicContact CB-CD1 3.89Å; V71-Y197 HydrophobicContact CB-CE1 3.94Å; V71-Y197 HydrophobicContact CG1-CD1 4Å; V71-Y197 HydrophobicContact CG1-CE1 3.87Å; V71-Y197 HydrophobicContact CG2-CE1 4.25Å; P77-Y197 HydrophobicContact CG-CD1 4.29Å; P77-Y197 HydrophobicContact CG-CE1 4.09Å; T190-Y197 WeakPolarHBondContact CB-OH 3.24Å; T190-Y197 PolarHBondContact OG1-OH 2.76Å; C195-Y197 HydrophobicContact CB-CD2 4.35Å; C195-Y197 HydrophobicContact CB-CE2 3.74Å; C195-Y197 VanDerWaalsContact O-CD2 3.3Å; C195-Y197 WeakPolarHBondContact O-CD2 3.44Å; C195-Y197 PolarHBondContact O-N 2.95Å; Y197-L199 HydrophobicContact CD1-CD2 3.89Å; Y197-L199 HydrophobicContact CG-CD2 4.23Å
198	F	98.6	Very high	96	Very high	24 Å²	24	44.1 Å²	44.1	11%	0.105	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	88.2	168	-66.5	-93.6	0	0	0	106.9	H42 Y44 A70 V71 V72 T73 A196 Y201 F229	H42-F198 AromaticContact CE1-CE1 3.74Å; H42-F198 AromaticContact ND1-CE1 3.92Å; H42-F198 AromaticContact ND1-CZ 3.76Å; Y44-F198 AromaticContact CE2-CE2 3.84Å; Y44-F198 HydrophobicContact CE2-CE2 3.84Å; Y44-F198 AromaticContact CE2-CZ 3.94Å; Y44-F198 HydrophobicContact CE2-CZ 3.94Å; Y44-F198 AromaticContact CZ-CE2 3.77Å; Y44-F198 AromaticContact CZ-CZ 3.99Å; Y44-F198 WeakPolarHBondContact OH-CE2 3.21Å; Y44-F198 WeakPolarHBondContact OH-CZ 3.47Å; A70-F198 HydrophobicContact CB-CD2 4.06Å; A70-F198 HydrophobicContact CB-CE2 3.86Å; V71-F198 PolarHBondContact O-N 2.9Å; V72-F198 HydrophobicContact CG2-CB 4.34Å; T73-F198 PolarHBondContact N-O 3.43Å; A196-F198 HydrophobicContact CB-CE2 4.18Å; F198-Y201 HydrophobicContact CB-CD1 4.1Å; F198-Y201 HydrophobicContact CB-CD2 3.99Å; F198-Y201 HydrophobicContact CB-CE1 4.34Å; F198-Y201 HydrophobicContact CB-CE2 4.28Å; F198-Y201 HydrophobicContact CB-CG 3.9Å; F198-Y201 HydrophobicContact CD1-CD1 4.39Å; F198-Y201 AromaticContact CD1-CE1 3.86Å; F198-Y201 HydrophobicContact CD1-CE1 3.86Å; F198-Y201 HydrophobicContact CD1-CE2 4.41Å; F198-Y201 AromaticContact CD1-CZ 3.88Å; F198-F229 HydrophobicContact CB-CZ 4.2Å; F198-F229 AromaticContact CD1-CE1 3.71Å; F198-F229 HydrophobicContact CD1-CE1 3.71Å; F198-F229 AromaticContact CD1-CZ 3.64Å; F198-F229 HydrophobicContact CD1-CZ 3.64Å; F198-F229 AromaticContact CD2-CE1 3.63Å; F198-F229 HydrophobicContact CD2-CE1 3.63Å; F198-F229 HydrophobicContact CD2-CZ 4.16Å; F198-F229 AromaticContact CE1-CE1 3.71Å; F198-F229 HydrophobicContact CE1-CE1 3.71Å; F198-F229 HydrophobicContact CE1-CZ 4.01Å; F198-F229 HydrophobicContact CE2-CD1 4.47Å; F198-F229 AromaticContact CE2-CE1 3.64Å; F198-F229 HydrophobicContact CE2-CE1 3.64Å; F198-F229 HydrophobicContact CE2-CZ 4.5Å; F198-F229 AromaticContact CG-CE1 3.66Å; F198-F229 HydrophobicContact CG-CE1 3.66Å; F198-F229 AromaticContact CG-CZ 3.72Å; F198-F229 HydrophobicContact CG-CZ 3.72Å; F198-F229 AromaticContact CZ-CE1 3.67Å; F198-F229 HydrophobicContact CZ-CE1 3.67Å; F198-F229 HydrophobicContact CZ-CZ 4.42Å
199	L	98.2	Very high	96	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.325	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.3	-173.4	-58.6	-176.6	0	0	0	110.6	T73 F76 P77 Y197 Y201	T73-L199 HydrophobicContact CG2-CD2 3.8Å; F76-L199 HydrophobicContact CD2-CD1 4.07Å; F76-L199 HydrophobicContact CE2-CD1 4.28Å; P77-L199 HydrophobicContact CG-CD2 4.06Å; Y197-L199 HydrophobicContact CD1-CD2 3.89Å; Y197-L199 HydrophobicContact CG-CD2 4.23Å; L199-Y201 VanDerWaalsContact C-N 3.31Å; L199-Y201 VanDerWaalsContact O-CD2 3.29Å; L199-Y201 WeakPolarHBondContact O-CD2 3.49Å
200	E	98.6	Very high	95.9	Very high	69 Å²	69	50.9 Å²	50.9	32%	0.322	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	42.3	-179.2	-60.2	175.8	144.6	0	0	111.8	T73 L221 W541	T73-E200 VanDerWaalsContact O-CA 3.29Å; T73-E200 WeakPolarHBondContact O-CA 3.4Å; T73-E200 PolarHBondContact O-N 2.86Å; E200-L221 HydrophobicContact CB-CD1 4.34Å; E200-L221 VanDerWaalsContact O-CB 3.23Å; E200-L221 WeakPolarHBondContact O-CB 3.5Å; E200-L221 WeakPolarHBondContact O-CG 3.37Å; E200-L221 PolarHBondContact O-N 3.25Å; E200-L221 VanDerWaalsContact O-N 3.08Å; E200-W541 HydrophobicContact CB-CH2 4.48Å; E200-W541 HydrophobicContact CB-CZ2 4.43Å; E200-W541 VanDerWaalsContact CD-CH2 3.47Å; E200-W541 HydrophobicContact CG-CH2 4.3Å; E200-W541 HydrophobicContact CG-CZ2 4.48Å; E200-W541 WeakPolarHBondContact OE1-CH2 3.44Å; E200-W541 VanDerWaalsContact OE2-CZ2 3.24Å; E200-W541 WeakPolarHBondContact OE2-CZ2 3.35Å
201	Y	98.8	Very high	95.9	Very high	25 Å²	25	53.1 Å²	53.1	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.8	170.4	-82.3	-126	0	0	0	109.5	T73 K74 F198 L199 A218 L219 N220 H227 F229	T73-Y201 CarbonylContact C-O 3.51Å; T73-Y201 PolarHBondContact O-N 2.83Å; K74-Y201 WeakPolarHBondContact CA-O 3.47Å; K74-Y201 PolarHBondContact N-O 3.06Å; K74-Y201 VanDerWaalsContact N-O 3.16Å; F198-Y201 HydrophobicContact CB-CD1 4.1Å; F198-Y201 HydrophobicContact CB-CD2 3.99Å; F198-Y201 HydrophobicContact CB-CE1 4.34Å; F198-Y201 HydrophobicContact CB-CE2 4.28Å; F198-Y201 HydrophobicContact CB-CG 3.9Å; F198-Y201 HydrophobicContact CD1-CD1 4.39Å; F198-Y201 AromaticContact CD1-CE1 3.86Å; F198-Y201 HydrophobicContact CD1-CE1 3.86Å; F198-Y201 HydrophobicContact CD1-CE2 4.41Å; F198-Y201 AromaticContact CD1-CZ 3.88Å; L199-Y201 VanDerWaalsContact C-N 3.31Å; L199-Y201 VanDerWaalsContact O-CD2 3.29Å; L199-Y201 WeakPolarHBondContact O-CD2 3.49Å; Y201-A218 HydrophobicContact CD1-CB 4.34Å; Y201-L219 CarbonylContact C-O 3.4Å; Y201-L219 WeakPolarHBondContact CA-O 3.46Å; Y201-N220 HydrophobicContact CD1-CB 4.26Å; Y201-N220 HydrophobicContact CD2-CB 4.32Å; Y201-N220 HydrophobicContact CE1-CB 3.78Å; Y201-N220 HydrophobicContact CE2-CB 3.84Å; Y201-N220 WeakPolarHBondContact CE2-OD1 3.48Å; Y201-N220 VanDerWaalsContact CZ-CG 3.4Å; Y201-N220 PolarHBondContact OH-ND2 2.84Å; Y201-N220 VanDerWaalsContact OH-ND2 3.07Å; Y201-H227 HydrophobicContact CD1-CB 4.42Å; Y201-H227 HydrophobicContact CE1-CB 4.07Å; Y201-H227 AromaticContact CE1-CD2 3.74Å; Y201-H227 AromaticContact CE1-CE1 3.68Å; Y201-H227 AromaticContact CE1-CG 3.55Å; Y201-H227 AromaticContact CE1-ND1 3.5Å; Y201-H227 WeakPolarHBondContact CE1-ND1 3.37Å; Y201-H227 AromaticContact CE1-NE2 3.85Å; Y201-H227 AromaticContact CZ-CE1 3.88Å; Y201-H227 PolarHBondContact OH-CE1 2.6Å; Y201-H227 PolarHBondContact OH-NE2 3.32Å; Y201-F229 HydrophobicContact CD1-CE2 4.17Å; Y201-F229 AromaticContact CD1-CZ 3.98Å; Y201-F229 HydrophobicContact CD1-CZ 3.98Å; Y201-F229 HydrophobicContact CE1-CZ 4.1Å
202	F	98.8	Very high	96.1	Very high	3 Å²	3	52 Å²	52	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	105.8	177.9	-174.1	-90.1	0	0	0	110.3	K74 M204 A218 L219 L221 M546 L549 E550	K74-F202 HydrophobicContact CB-CD2 4.21Å; K74-F202 HydrophobicContact CD-CD2 3.98Å; K74-F202 HydrophobicContact CD-CE2 4.16Å; F202-M204 HydrophobicContact CD1-CG 4.05Å; F202-M204 HydrophobicContact CE1-CG 4.43Å; F202-M204 PolarHBondContact O-N 3.01Å; F202-A218 CarbonylContact O-C 3.6Å; F202-A218 WeakPolarHBondContact O-CA 3.26Å; F202-A218 WeakPolarHBondContact O-CB 3.35Å; F202-L219 PolarHBondContact N-O 2.76Å; F202-L219 PolarHBondContact O-N 2.84Å; F202-L221 HydrophobicContact CB-CD2 4.24Å; F202-M546 HydrophobicContact CD2-CG 3.82Å; F202-M546 HydrophobicContact CD2-SD 4.41Å; F202-M546 HydrophobicContact CE2-CG 4.16Å; F202-M546 HydrophobicContact CG-CG 4.38Å; F202-L549 HydrophobicContact CD1-CD1 4.18Å; F202-L549 HydrophobicContact CE1-CB 3.78Å; F202-L549 HydrophobicContact CE1-CD1 3.98Å; F202-L549 HydrophobicContact CZ-CB 3.94Å; F202-E550 HydrophobicContact CE2-CG 3.71Å; F202-E550 HydrophobicContact CZ-CG 4.1Å
203	A	98.9	Very high	96.4	Very high	9 Å²	9	48.6 Å²	48.6	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	122.6	174.6	0	0	0	0	0	110.5	V49 M261	V49-A203 HydrophobicContact CG1-CB 3.52Å; A203-M261 HydrophobicContact CB-CE 4.2Å; A203-M261 HydrophobicContact CB-SD 4.08Å
204	M	98.8	Very high	96.8	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.034	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-47.6	-175.3	-61.7	-174.9	-69.4	0	0	112.2	F202 I217 L219 I226 M261 R264 L479	F202-M204 HydrophobicContact CD1-CG 4.05Å; F202-M204 HydrophobicContact CE1-CG 4.43Å; F202-M204 PolarHBondContact O-N 3.01Å; M204-I217 HydrophobicContact CB-CG2 4.38Å; M204-I217 HydrophobicContact CE-CD1 4.18Å; M204-I217 HydrophobicContact CE-CG1 3.82Å; M204-I217 HydrophobicContact CE-CG2 4.32Å; M204-I217 PolarHBondContact N-O 2.89Å; M204-L219 HydrophobicContact SD-CB 4.45Å; M204-I226 HydrophobicContact CE-CD1 4.17Å; M204-I226 HydrophobicContact CE-CG2 4.3Å; M204-M261 WeakPolarHBondContact O-CG 3.34Å; M204-R264 PolarHBondContact O-NH2 2.74Å; M204-L479 HydrophobicContact CE-CD1 4.38Å; M204-L479 HydrophobicContact SD-CB 4.18Å; M204-L479 HydrophobicContact SD-CD1 3.53Å; M204-L479 VanDerWaalsContact SD-CD1 3.53Å; M204-L479 HydrophobicContact SD-CG 4.48Å
205	D	98.8	Very high	97.3	Very high	22 Å²	22	38.4 Å²	38.4	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.3	-175.4	-75.6	-60.9	0	0	0	113.2	V216 I217 R264 S475	D205-V216 WeakPolarHBondContact O-CA 3.47Å; D205-I217 HydrophobicContact CB-CG2 4.03Å; D205-I217 PolarHBondContact O-N 3.07Å; D205-R264 WeakPolarHBondContact OD1-CD 3.48Å; D205-R264 IonicContact OD1-CZ 3.93Å; D205-R264 IonicContact OD1-NE 3.39Å; D205-R264 PolarHBondContact OD1-NE 2.71Å; D205-R264 IonicContact OD1-NH2 3.69Å; D205-R264 IonicContact OD2-NE 3.23Å; D205-S475 VanDerWaalsContact CB-OG 3.3Å; D205-S475 WeakPolarHBondContact CB-OG 3.45Å; D205-S475 VanDerWaalsContact CG-OG 3.31Å; D205-S475 VanDerWaalsContact OD2-CB 3.3Å; D205-S475 WeakPolarHBondContact OD2-CB 3.42Å; D205-S475 PolarHBondContact OD2-OG 3.09Å
206	L	98.8	Very high	97.7	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.5	166.2	-61.4	-179.9	0	0	0	110.8	M208 V216 T234 L236 M261 V262 A265 L418	L206-M208 HydrophobicContact CB-CG 4.06Å; L206-M208 HydrophobicContact CB-SD 3.9Å; L206-M208 HydrophobicContact CD1-SD 4.06Å; L206-M208 PolarHBondContact O-N 2.87Å; L206-V216 HydrophobicContact CD2-CG1 3.77Å; L206-T234 HydrophobicContact CD2-CG2 4.13Å; L206-L236 HydrophobicContact CD1-CD1 4.44Å; L206-L236 HydrophobicContact CD2-CD1 4.17Å; L206-L236 HydrophobicContact CD2-CD2 4.06Å; L206-L236 HydrophobicContact CD2-CG 4.43Å; L206-M261 HydrophobicContact CG-CB 4.26Å; L206-V262 HydrophobicContact CD1-CG2 4.16Å; L206-A265 HydrophobicContact CD1-CB 4.17Å; L206-L418 HydrophobicContact CD1-CD1 4Å; L206-L418 HydrophobicContact CD1-CD2 3.87Å; L206-L418 HydrophobicContact CD2-CD1 4.13Å
207	L	98.6	Very high	97.9	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	89.2	171.7	-63.2	172.3	0	0	0	109.2	N214 G215 V216 I217 R228 L467 A471	L207-N214 PolarHBondContact O-N 3.43Å; L207-G215 PolarHBondContact N-O 3.23Å; L207-V216 WeakPolarHBondContact CD1-O 3.44Å; L207-I217 HydrophobicContact CD2-CB 4.17Å; L207-I217 HydrophobicContact CD2-CG2 4.36Å; L207-R228 HydrophobicContact CD1-CB 4.12Å; L207-L467 HydrophobicContact CB-CD1 3.9Å; L207-L467 HydrophobicContact CD1-CD1 3.86Å; L207-L467 HydrophobicContact CD1-CD2 3.97Å; L207-L467 HydrophobicContact CG-CD1 4.3Å; L207-A471 HydrophobicContact CD2-CB 4.08Å
208	M	97.6	Very high	97.9	Very high	60 Å²	60	34 Å²	34	30%	0.296	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	139.5	-177.5	-58	-61	-70.6	0	0	112.1	L206 R212 C213 A265 L267 V415	L206-M208 HydrophobicContact CB-CG 4.06Å; L206-M208 HydrophobicContact CB-SD 3.9Å; L206-M208 HydrophobicContact CD1-SD 4.06Å; L206-M208 PolarHBondContact O-N 2.87Å; M208-R212 CarbonylContact C-O 3.59Å; M208-R212 WeakPolarHBondContact CA-O 3.3Å; M208-C213 HydrophobicContact CE-CB 4.48Å; M208-C213 HydrophobicContact SD-CB 3.75Å; M208-A265 HydrophobicContact CG-CB 3.78Å; M208-A265 HydrophobicContact SD-CB 4.34Å; M208-L267 HydrophobicContact CE-CD1 4.06Å; M208-V415 HydrophobicContact CE-CG1 4.18Å
209	D	95.8	Very high	97.9	Very high	75 Å²	75	33 Å²	33	40%	0.401	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	125.6	167.8	179.1	36.4	0	0	0	109.7	G211 R212 N214	D209-G211 PolarHBondContact O-N 3.08Å; D209-R212 PolarHBondContact N-O 3.39Å; D209-R212 WeakPolarHBondContact O-CB 3.45Å; D209-R212 PolarHBondContact O-N 2.82Å; D209-N214 WeakPolarHBondContact CB-ND2 3.5Å
210	K	93.1	Very high	97.9	Very high	200 Å²	200	30.2 Å²	30.2	87%	0.87	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	39.4	177.8	-63.6	165.3	-170.6	171.8	0	114.1	R212	K210-R212 VanDerWaalsContact C-N 3.32Å; K210-R212 PolarHBondContact O-N 2.69Å
211	G	93.7	Very high	97.9	Very high	49 Å²	49	27.2 Å²	27.2	51%	0.505	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	0	179.7	0	0	0	0	0	115.5	D209	D209-G211 PolarHBondContact O-N 3.08Å
212	R	97	Very high	97.8	Very high	82 Å²	82	32.4 Å²	32.4	31%	0.309	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.7	172.2	-179.6	177.4	-174	94.5	7.2	110.5	M208 D209 K210 N214 A232 P416	M208-R212 CarbonylContact C-O 3.59Å; M208-R212 WeakPolarHBondContact CA-O 3.3Å; D209-R212 PolarHBondContact N-O 3.39Å; D209-R212 WeakPolarHBondContact O-CB 3.45Å; D209-R212 PolarHBondContact O-N 2.82Å; K210-R212 VanDerWaalsContact C-N 3.32Å; K210-R212 PolarHBondContact O-N 2.69Å; R212-N214 VanDerWaalsContact CD-OD1 3.24Å; R212-N214 WeakPolarHBondContact CD-OD1 3.22Å; R212-N214 WeakPolarHBondContact CG-OD1 3.29Å; R212-A232 PolarHBondContact NH2-O 2.94Å; R212-P416 WeakPolarHBondContact CA-O 3.44Å; R212-P416 HydrophobicContact CB-CB 4.33Å; R212-P416 HydrophobicContact CG-CB 4.08Å; R212-P416 WeakPolarHBondContact CG-O 3.28Å
213	C	98.4	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.2	165.6	-173.9	0	0	0	0	110.3	M208 G215 T234 P416 L418	M208-C213 HydrophobicContact CE-CB 4.48Å; M208-C213 HydrophobicContact SD-CB 3.75Å; C213-G215 PolarHBondContact SG-O 3.3Å; C213-T234 PolarHBondContact SG-OG1 3.02Å; C213-T234 VanDerWaalsContact SG-OG1 3.38Å; C213-P416 PolarHBondContact N-O 2.92Å; C213-L418 HydrophobicContact CB-CB 3.86Å; C213-L418 HydrophobicContact CB-CD1 4.28Å
214	N	98.2	Very high	97.7	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	10.9	-179.6	-67.5	-20.5	0	0	0	112.8	L207 D209 R212 R230 T231 P465	L207-N214 PolarHBondContact O-N 3.43Å; D209-N214 WeakPolarHBondContact CB-ND2 3.5Å; R212-N214 VanDerWaalsContact CD-OD1 3.24Å; R212-N214 WeakPolarHBondContact CD-OD1 3.22Å; R212-N214 WeakPolarHBondContact CG-OD1 3.29Å; N214-R230 WeakPolarHBondContact O-CA 3.3Å; N214-T231 CarbonylContact C-O 3.47Å; N214-T231 VanDerWaalsContact C-O 3.25Å; N214-T231 WeakPolarHBondContact CA-O 3.37Å; N214-T231 PolarHBondContact O-N 2.82Å; N214-T231 VanDerWaalsContact O-O 3.12Å; N214-P465 HydrophobicContact CB-CB 4.37Å; N214-P465 HydrophobicContact CB-CG 3.92Å; N214-P465 WeakPolarHBondContact OD1-CB 3.43Å; N214-P465 VanDerWaalsContact OD1-CG 3.31Å; N214-P465 WeakPolarHBondContact OD1-CG 3.47Å
215	G	98.5	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.6	-160.8	179.4	0	0	0	0	0	115	L207 C213 F229 T234	L207-G215 PolarHBondContact N-O 3.23Å; C213-G215 PolarHBondContact SG-O 3.3Å; G215-F229 WeakPolarHBondContact CA-O 3.47Å; G215-T234 WeakPolarHBondContact CA-OG1 3.29Å
216	V	98.8	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.4	177.1	-60.5	0	0	0	0	111.6	V47 V49 D205 L206 L207 F229 T234	V47-V216 HydrophobicContact CG1-CG2 3.92Å; V49-V216 HydrophobicContact CG2-CG1 3.91Å; V49-V216 HydrophobicContact CG2-CG2 4.05Å; D205-V216 WeakPolarHBondContact O-CA 3.47Å; L206-V216 HydrophobicContact CD2-CG1 3.77Å; L207-V216 WeakPolarHBondContact CD1-O 3.44Å; V216-F229 HydrophobicContact CG2-CB 4.03Å; V216-F229 HydrophobicContact CG2-CD2 4.1Å; V216-F229 HydrophobicContact CG2-CG 4.4Å; V216-F229 PolarHBondContact N-O 2.63Å; V216-F229 PolarHBondContact O-N 3.48Å; V216-T234 HydrophobicContact CG1-CG2 3.7Å
217	I	98.8	Very high	97.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.9	168.4	-172.4	168.5	0	0	0	109.7	M204 D205 L207 I226 H227 R228 V476	M204-I217 HydrophobicContact CB-CG2 4.38Å; M204-I217 HydrophobicContact CE-CD1 4.18Å; M204-I217 HydrophobicContact CE-CG1 3.82Å; M204-I217 HydrophobicContact CE-CG2 4.32Å; M204-I217 PolarHBondContact N-O 2.89Å; D205-I217 HydrophobicContact CB-CG2 4.03Å; D205-I217 PolarHBondContact O-N 3.07Å; L207-I217 HydrophobicContact CD2-CB 4.17Å; L207-I217 HydrophobicContact CD2-CG2 4.36Å; I217-I226 HydrophobicContact CD1-CG2 3.61Å; I217-I226 HydrophobicContact CG1-CG2 3.69Å; I217-H227 CarbonylContact C-O 3.5Å; I217-H227 VanDerWaalsContact CA-O 3.3Å; I217-H227 WeakPolarHBondContact CA-O 3.49Å; I217-R228 HydrophobicContact CB-CG 4.45Å; I217-R228 HydrophobicContact CD1-CG 4.07Å; I217-R228 HydrophobicContact CG1-CG 4.08Å; I217-V476 HydrophobicContact CD1-CG2 3.95Å
218	A	98.8	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154	-177.1	0	0	0	0	0	112.3	V72 Y201 F202 I226 H227 F229	V72-A218 HydrophobicContact CG1-CB 4.16Å; Y201-A218 HydrophobicContact CD1-CB 4.34Å; F202-A218 CarbonylContact O-C 3.6Å; F202-A218 WeakPolarHBondContact O-CA 3.26Å; F202-A218 WeakPolarHBondContact O-CB 3.35Å; A218-I226 WeakPolarHBondContact O-CA 3.32Å; A218-H227 PolarHBondContact N-O 2.89Å; A218-H227 PolarHBondContact O-N 3.34Å; A218-F229 HydrophobicContact CB-CE2 4.03Å
219	L	98.6	Very high	97.7	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.9	168.8	171.4	65.8	0	0	0	109	Y201 F202 M204 L221 I226 L479	Y201-L219 CarbonylContact C-O 3.4Å; Y201-L219 WeakPolarHBondContact CA-O 3.46Å; F202-L219 PolarHBondContact N-O 2.76Å; F202-L219 PolarHBondContact O-N 2.84Å; M204-L219 HydrophobicContact SD-CB 4.45Å; L219-L221 HydrophobicContact CD2-CD2 3.94Å; L219-L221 HydrophobicContact CG-CD2 4.25Å; L219-L221 PolarHBondContact O-N 2.84Å; L219-I226 HydrophobicContact CB-CD1 4.37Å; L219-I226 HydrophobicContact CD1-CD1 3.78Å; L219-L479 HydrophobicContact CB-CD1 4.27Å; L219-L479 HydrophobicContact CD1-CD1 4.11Å; L219-L479 HydrophobicContact CD2-CD1 3.97Å; L219-L479 HydrophobicContact CG-CD1 4.34Å
220	N	98.6	Very high	97.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	115.9	165.8	-178.1	0.4	0	0	0	108.8	Y201 E222 D223 G224 S225	Y201-N220 HydrophobicContact CD1-CB 4.26Å; Y201-N220 HydrophobicContact CD2-CB 4.32Å; Y201-N220 HydrophobicContact CE1-CB 3.78Å; Y201-N220 HydrophobicContact CE2-CB 3.84Å; Y201-N220 WeakPolarHBondContact CE2-OD1 3.48Å; Y201-N220 VanDerWaalsContact CZ-CG 3.4Å; Y201-N220 PolarHBondContact OH-ND2 2.84Å; Y201-N220 VanDerWaalsContact OH-ND2 3.07Å; N220-E222 VanDerWaalsContact C-N 3.26Å; N220-E222 PolarHBondContact O-N 2.83Å; N220-E222 WeakPolarHBondContact OD1-CB 3.49Å; N220-E222 PolarHBondContact OD1-N 3Å; N220-D223 WeakPolarHBondContact CB-OD1 3.37Å; N220-D223 VanDerWaalsContact CG-OD1 3.3Å; N220-D223 PolarHBondContact ND2-OD1 3.34Å; N220-D223 PolarHBondContact ND2-OD2 3.17Å; N220-G224 VanDerWaalsContact O-CA 3.27Å; N220-G224 WeakPolarHBondContact O-CA 3.48Å; N220-G224 PolarHBondContact O-N 3.11Å; N220-S225 PolarHBondContact N-O 3.49Å
221	L	98	Very high	98	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.026	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.9	-178.3	-59.6	176.1	0	0	0	112.2	E200 F202 L219 W541 M546	E200-L221 HydrophobicContact CB-CD1 4.34Å; E200-L221 VanDerWaalsContact O-CB 3.23Å; E200-L221 WeakPolarHBondContact O-CB 3.5Å; E200-L221 WeakPolarHBondContact O-CG 3.37Å; E200-L221 PolarHBondContact O-N 3.25Å; E200-L221 VanDerWaalsContact O-N 3.08Å; F202-L221 HydrophobicContact CB-CD2 4.24Å; L219-L221 HydrophobicContact CD2-CD2 3.94Å; L219-L221 HydrophobicContact CG-CD2 4.25Å; L219-L221 PolarHBondContact O-N 2.84Å; L221-W541 WeakPolarHBondContact O-CA 3.43Å; L221-W541 PolarHBondContact O-N 3.41Å; L221-M546 HydrophobicContact CD1-SD 3.65Å; L221-M546 HydrophobicContact CD2-CB 4.49Å; L221-M546 HydrophobicContact CD2-CG 4.46Å; L221-M546 HydrophobicContact CD2-SD 4.2Å
222	E	98	Very high	98.2	Very high	135 Å²	135	21 Å²	21	63%	0.631	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-38.6	-176	-172.6	-179.3	-156.4	0	0	113.2	N220 I540	N220-E222 VanDerWaalsContact C-N 3.26Å; N220-E222 PolarHBondContact O-N 2.83Å; N220-E222 WeakPolarHBondContact OD1-CB 3.49Å; N220-E222 PolarHBondContact OD1-N 3Å; E222-I540 VanDerWaalsContact O-CG2 3.29Å; E222-I540 WeakPolarHBondContact O-CG2 3.19Å
223	D	97.2	Very high	98.2	Very high	76 Å²	76	17.4 Å²	17.4	41%	0.406	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-3.8	-175.3	73.8	4.7	0	0	0	114.2	N220 S225	N220-D223 WeakPolarHBondContact CB-OD1 3.37Å; N220-D223 VanDerWaalsContact CG-OD1 3.3Å; N220-D223 PolarHBondContact ND2-OD1 3.34Å; N220-D223 PolarHBondContact ND2-OD2 3.17Å; D223-S225 VanDerWaalsContact CG-OG 3.28Å; D223-S225 PolarHBondContact O-N 3.28Å; D223-S225 VanDerWaalsContact OD1-CB 3.25Å; D223-S225 WeakPolarHBondContact OD1-CB 3.2Å; D223-S225 PolarHBondContact OD1-N 3.06Å; D223-S225 PolarHBondContact OD1-OG 3.37Å; D223-S225 PolarHBondContact OD2-OG 2.94Å
224	G	97.1	Very high	98.3	Very high	4 Å²	4	17.4 Å²	17.4	4%	0.041	9%	0.085	C	C	.	.			trans	75.3	6.2	178.8	0	0	0	0	0	115.1	N220	N220-G224 VanDerWaalsContact O-CA 3.27Å; N220-G224 WeakPolarHBondContact O-CA 3.48Å; N220-G224 PolarHBondContact O-N 3.11Å
225	S	97.9	Very high	98.3	Very high	5 Å²	5	17.2 Å²	17.2	4%	0.035	8%	0.084	C	C	.	.			trans	-79.6	157	179.4	67	0	0	0	0	112.5	N220 D223 H227	N220-S225 PolarHBondContact N-O 3.49Å; D223-S225 VanDerWaalsContact CG-OG 3.28Å; D223-S225 PolarHBondContact O-N 3.28Å; D223-S225 VanDerWaalsContact OD1-CB 3.25Å; D223-S225 WeakPolarHBondContact OD1-CB 3.2Å; D223-S225 PolarHBondContact OD1-N 3.06Å; D223-S225 PolarHBondContact OD1-OG 3.37Å; D223-S225 PolarHBondContact OD2-OG 2.94Å; S225-H227 PolarHBondContact OG-CD2 3.2Å; S225-H227 PolarHBondContact OG-NE2 2.94Å
226	I	98.3	Very high	98.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.1	-177.5	-56.3	-57.8	0	0	0	109	Y37 K38 I39 V40 M204 I217 A218 L219 V476 L479	Y37-I226 HydrophobicContact CD1-CG1 4.18Å; Y37-I226 HydrophobicContact CG-CG1 4.41Å; K38-I226 PolarHBondContact O-N 2.86Å; I39-I226 CarbonylContact C-O 3.58Å; I39-I226 VanDerWaalsContact CA-O 3.26Å; I39-I226 WeakPolarHBondContact CA-O 3.34Å; I39-I226 HydrophobicContact CG1-CB 4.28Å; I39-I226 HydrophobicContact CG1-CG2 4.43Å; V40-I226 PolarHBondContact N-O 3.39Å; M204-I226 HydrophobicContact CE-CD1 4.17Å; M204-I226 HydrophobicContact CE-CG2 4.3Å; I217-I226 HydrophobicContact CD1-CG2 3.61Å; I217-I226 HydrophobicContact CG1-CG2 3.69Å; A218-I226 WeakPolarHBondContact O-CA 3.32Å; L219-I226 HydrophobicContact CB-CD1 4.37Å; L219-I226 HydrophobicContact CD1-CD1 3.78Å; I226-V476 HydrophobicContact CG2-CG2 4.02Å; I226-L479 HydrophobicContact CD1-CD1 3.91Å
227	H	98.5	Very high	98.3	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.046	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.7	-174.6	-74.5	-125.2	0	0	0	110.9	V40 H42 Y201 I217 A218 S225 F229	V40-H227 CarbonylContact O-C 3.56Å; V40-H227 VanDerWaalsContact O-CA 3.3Å; V40-H227 WeakPolarHBondContact O-CA 3.47Å; H42-H227 AromaticContact CD2-ND1 3.52Å; H42-H227 AromaticContact CE1-ND1 3.78Å; H42-H227 AromaticContact NE2-CE1 3.54Å; H42-H227 AromaticContact NE2-CG 3.82Å; H42-H227 AromaticContact NE2-ND1 2.81Å; H42-H227 PolarHBondContact NE2-ND1 3.18Å; Y201-H227 HydrophobicContact CD1-CB 4.42Å; Y201-H227 HydrophobicContact CE1-CB 4.07Å; Y201-H227 AromaticContact CE1-CD2 3.74Å; Y201-H227 AromaticContact CE1-CE1 3.68Å; Y201-H227 AromaticContact CE1-CG 3.55Å; Y201-H227 AromaticContact CE1-ND1 3.5Å; Y201-H227 WeakPolarHBondContact CE1-ND1 3.37Å; Y201-H227 AromaticContact CE1-NE2 3.85Å; Y201-H227 AromaticContact CZ-CE1 3.88Å; Y201-H227 PolarHBondContact OH-CE1 2.6Å; Y201-H227 PolarHBondContact OH-NE2 3.32Å; I217-H227 CarbonylContact C-O 3.5Å; I217-H227 VanDerWaalsContact CA-O 3.3Å; I217-H227 WeakPolarHBondContact CA-O 3.49Å; A218-H227 PolarHBondContact N-O 2.89Å; A218-H227 PolarHBondContact O-N 3.34Å; S225-H227 PolarHBondContact OG-CD2 3.2Å; S225-H227 PolarHBondContact OG-NE2 2.94Å; H227-F229 HydrophobicContact CB-CD2 4.29Å; H227-F229 HydrophobicContact CB-CE2 3.52Å; H227-F229 HydrophobicContact CB-CZ 3.93Å
228	R	98.6	Very high	98.3	Very high	28 Å²	28	19 Å²	19	11%	0.106	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.1	171.5	-59	-174.6	-60.7	-172.2	-2.8	109.4	I39 V40 D41 H42 L207 I217 L467 S469 A471	I39-R228 HydrophobicContact CG2-CG 4.12Å; V40-R228 PolarHBondContact O-N 3.23Å; D41-R228 VanDerWaalsContact CG-NH2 3.3Å; D41-R228 WeakPolarHBondContact OD1-CB 3.39Å; D41-R228 IonicContact OD1-CZ 3.27Å; D41-R228 VanDerWaalsContact OD1-CZ 3.27Å; D41-R228 IonicContact OD1-NE 3.9Å; D41-R228 PolarHBondContact OD1-NE 2.92Å; D41-R228 IonicContact OD1-NH2 3.01Å; D41-R228 PolarHBondContact OD1-NH2 3.27Å; D41-R228 IonicContact OD2-CZ 3.79Å; D41-R228 IonicContact OD2-NE 3.88Å; D41-R228 IonicContact OD2-NH2 2.8Å; D41-R228 PolarHBondContact OD2-NH2 3.23Å; H42-R228 PolarHBondContact N-O 2.81Å; L207-R228 HydrophobicContact CD1-CB 4.12Å; I217-R228 HydrophobicContact CB-CG 4.45Å; I217-R228 HydrophobicContact CD1-CG 4.07Å; I217-R228 HydrophobicContact CG1-CG 4.08Å; R228-L467 HydrophobicContact CB-CD2 4.18Å; R228-S469 PolarHBondContact NH1-O 3.15Å; R228-A471 WeakPolarHBondContact CD-O 3.37Å; R228-A471 PolarHBondContact NH1-O 3.12Å
229	F	98.6	Very high	98.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	94.5	179.9	-64.2	-92	0	0	0	109.5	H42 Y44 V47 A70 V72 F198 Y201 G215 V216 A218 H227	H42-F229 HydrophobicContact CB-CD1 3.76Å; H42-F229 HydrophobicContact CB-CE1 4.15Å; H42-F229 HydrophobicContact CB-CG 4.41Å; H42-F229 AromaticContact CG-CE1 3.9Å; Y44-F229 HydrophobicContact CD2-CD1 4.41Å; Y44-F229 HydrophobicContact CE2-CD1 4.44Å; V47-F229 HydrophobicContact CG1-CB 4.21Å; V47-F229 HydrophobicContact CG2-CB 3.78Å; A70-F229 HydrophobicContact CB-CD1 4.42Å; V72-F229 HydrophobicContact CG2-CD1 4.13Å; V72-F229 HydrophobicContact CG2-CD2 4.07Å; V72-F229 HydrophobicContact CG2-CE1 3.98Å; V72-F229 HydrophobicContact CG2-CE2 3.91Å; V72-F229 HydrophobicContact CG2-CG 4.17Å; V72-F229 HydrophobicContact CG2-CZ 3.86Å; F198-F229 HydrophobicContact CB-CZ 4.2Å; F198-F229 AromaticContact CD1-CE1 3.71Å; F198-F229 HydrophobicContact CD1-CE1 3.71Å; F198-F229 AromaticContact CD1-CZ 3.64Å; F198-F229 HydrophobicContact CD1-CZ 3.64Å; F198-F229 AromaticContact CD2-CE1 3.63Å; F198-F229 HydrophobicContact CD2-CE1 3.63Å; F198-F229 HydrophobicContact CD2-CZ 4.16Å; F198-F229 AromaticContact CE1-CE1 3.71Å; F198-F229 HydrophobicContact CE1-CE1 3.71Å; F198-F229 HydrophobicContact CE1-CZ 4.01Å; F198-F229 HydrophobicContact CE2-CD1 4.47Å; F198-F229 AromaticContact CE2-CE1 3.64Å; F198-F229 HydrophobicContact CE2-CE1 3.64Å; F198-F229 HydrophobicContact CE2-CZ 4.5Å; F198-F229 AromaticContact CG-CE1 3.66Å; F198-F229 HydrophobicContact CG-CE1 3.66Å; F198-F229 AromaticContact CG-CZ 3.72Å; F198-F229 HydrophobicContact CG-CZ 3.72Å; F198-F229 AromaticContact CZ-CE1 3.67Å; F198-F229 HydrophobicContact CZ-CE1 3.67Å; F198-F229 HydrophobicContact CZ-CZ 4.42Å; Y201-F229 HydrophobicContact CD1-CE2 4.17Å; Y201-F229 AromaticContact CD1-CZ 3.98Å; Y201-F229 HydrophobicContact CD1-CZ 3.98Å; Y201-F229 HydrophobicContact CE1-CZ 4.1Å; G215-F229 WeakPolarHBondContact CA-O 3.47Å; V216-F229 HydrophobicContact CG2-CB 4.03Å; V216-F229 HydrophobicContact CG2-CD2 4.1Å; V216-F229 HydrophobicContact CG2-CG 4.4Å; V216-F229 PolarHBondContact N-O 2.63Å; V216-F229 PolarHBondContact O-N 3.48Å; A218-F229 HydrophobicContact CB-CE2 4.03Å; H227-F229 HydrophobicContact CB-CD2 4.29Å; H227-F229 HydrophobicContact CB-CE2 3.52Å; H227-F229 HydrophobicContact CB-CZ 3.93Å
230	R	98.4	Very high	98.3	Very high	69 Å²	69	20 Å²	20	26%	0.26	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.1	179	-172.7	171.7	63	104.1	0.7	110.4	H42 S43 Y44 N214 P465 L467	H42-R230 WeakPolarHBondContact O-CB 3.4Å; H42-R230 PolarHBondContact O-N 2.97Å; S43-R230 PolarHBondContact OG-NE 3.43Å; S43-R230 PolarHBondContact OG-NH2 2.8Å; Y44-R230 PolarHBondContact N-O 3.25Å; N214-R230 WeakPolarHBondContact O-CA 3.3Å; R230-P465 WeakPolarHBondContact CD-O 3.46Å; R230-P465 PolarHBondContact NH1-O 2.93Å; R230-L467 HydrophobicContact CG-CB 4.32Å
231	T	98.4	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.			trans	-155.7	160.2	-178.8	-179.9	0	0	0	0	111.9	Y44 D45 V46 V47 N214 N233 T234 P465	Y44-T231 WeakPolarHBondContact O-CA 3.33Å; Y44-T231 VanDerWaalsContact O-CB 3.29Å; Y44-T231 WeakPolarHBondContact O-CB 3.28Å; Y44-T231 PolarHBondContact O-OG1 2.89Å; D45-T231 PolarHBondContact O-OG1 3.01Å; V46-T231 VanDerWaalsContact CA-OG1 3.32Å; V46-T231 WeakPolarHBondContact CA-OG1 3.36Å; V46-T231 PolarHBondContact N-OG1 2.97Å; V47-T231 HydrophobicContact CB-CG2 3.82Å; V47-T231 HydrophobicContact CG2-CG2 3.51Å; N214-T231 CarbonylContact C-O 3.47Å; N214-T231 VanDerWaalsContact C-O 3.25Å; N214-T231 WeakPolarHBondContact CA-O 3.37Å; N214-T231 PolarHBondContact O-N 2.82Å; N214-T231 VanDerWaalsContact O-O 3.12Å; T231-N233 WeakPolarHBondContact CG2-O 3.39Å; T231-N233 PolarHBondContact OG1-N 3.16Å; T231-N233 VanDerWaalsContact OG1-N 3.11Å; T231-N233 PolarHBondContact OG1-O 3.24Å; T231-N233 VanDerWaalsContact OG1-O 3.1Å; T231-T234 WeakPolarHBondContact CG2-OG1 3.49Å; T231-P465 WeakPolarHBondContact O-CG 3.47Å
232	A	96.7	Very high	98.4	Very high	16 Å²	16	19.7 Å²	19.7	13%	0.132	11%	0.105	C	C	.	.	S	Bend	trans	-80.3	-23.4	169.5	0	0	0	0	0	112.2	R212 G417 L464	R212-A232 PolarHBondContact NH2-O 2.94Å; A232-G417 VanDerWaalsContact O-CA 3.25Å; A232-G417 WeakPolarHBondContact O-CA 3.46Å; A232-L464 HydrophobicContact CB-CD2 4.18Å
233	N	98.5	Very high	98.4	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.032	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	122.4	-175.5	-62.6	-71	0	0	0	111.3	V46 V47 T231 G417 I454 C458	V46-N233 WeakPolarHBondContact CA-O 3.47Å; V46-N233 HydrophobicContact CG1-CB 4.24Å; V46-N233 WeakPolarHBondContact CG1-O 3.35Å; V46-N233 HydrophobicContact CG2-CB 4.29Å; V47-N233 PolarHBondContact N-O 3.02Å; T231-N233 WeakPolarHBondContact CG2-O 3.39Å; T231-N233 PolarHBondContact OG1-N 3.16Å; T231-N233 VanDerWaalsContact OG1-N 3.11Å; T231-N233 PolarHBondContact OG1-O 3.24Å; T231-N233 VanDerWaalsContact OG1-O 3.1Å; N233-G417 WeakPolarHBondContact CA-O 3.44Å; N233-I454 HydrophobicContact CB-CD1 3.85Å; N233-I454 HydrophobicContact CB-CG1 4.2Å; N233-C458 PolarHBondContact ND2-SG 3.05Å; N233-C458 VanDerWaalsContact ND2-SG 3.43Å
234	T	98.9	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.3	175.5	-60.8	0	0	0	0	109.5	V47 L206 C213 G215 V216 T231 L236 G417 L418 Y419	V47-T234 CarbonylContact O-C 3.13Å; V47-T234 WeakPolarHBondContact O-CA 3.13Å; L206-T234 HydrophobicContact CD2-CG2 4.13Å; C213-T234 PolarHBondContact SG-OG1 3.02Å; C213-T234 VanDerWaalsContact SG-OG1 3.38Å; G215-T234 WeakPolarHBondContact CA-OG1 3.29Å; V216-T234 HydrophobicContact CG1-CG2 3.7Å; T231-T234 WeakPolarHBondContact CG2-OG1 3.49Å; T234-L236 HydrophobicContact CG2-CD2 4.3Å; T234-G417 PolarHBondContact N-O 3.36Å; T234-L418 HydrophobicContact CG2-CD1 4.26Å; T234-Y419 PolarHBondContact O-N 3.24Å
235	I	98.9	Very high	98.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.6	173.6	-59.2	168.3	0	0	0	109	V46 V47 V48 V49 A58 L62 Y419 C450 I454	V46-I235 HydrophobicContact CG1-CD1 4.05Å; V46-I235 HydrophobicContact CG1-CG1 4.36Å; V47-I235 PolarHBondContact O-N 3.14Å; V48-I235 HydrophobicContact CG2-CB 4.38Å; V48-I235 HydrophobicContact CG2-CD1 4.12Å; V49-I235 PolarHBondContact N-O 3.4Å; A58-I235 HydrophobicContact CB-CD1 4.04Å; L62-I235 HydrophobicContact CD1-CD1 3.71Å; I235-Y419 WeakPolarHBondContact CA-O 3.46Å; I235-Y419 HydrophobicContact CG1-CG 4.45Å; I235-C450 HydrophobicContact CD1-CB 3.62Å; I235-C450 HydrophobicContact CG1-CB 4.16Å; I235-C450 HydrophobicContact CG2-CB 4.46Å; I235-I454 HydrophobicContact CD1-CD1 3.81Å; I235-I454 HydrophobicContact CG1-CD1 4.09Å
236	L	99	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.7	170.8	-62.5	-178.1	0	0	0	110.5	V49 L206 T234 M261 V262 I395 L418 Y419 A420 A421 T424	V49-L236 HydrophobicContact CB-CD2 3.92Å; V49-L236 HydrophobicContact CG2-CD2 4.05Å; L206-L236 HydrophobicContact CD1-CD1 4.44Å; L206-L236 HydrophobicContact CD2-CD1 4.17Å; L206-L236 HydrophobicContact CD2-CD2 4.06Å; L206-L236 HydrophobicContact CD2-CG 4.43Å; T234-L236 HydrophobicContact CG2-CD2 4.3Å; L236-M261 HydrophobicContact CD2-CE 3.66Å; L236-V262 HydrophobicContact CD1-CG2 3.67Å; L236-I395 HydrophobicContact CB-CD1 4.07Å; L236-I395 HydrophobicContact CD1-CD1 3.58Å; L236-I395 HydrophobicContact CG-CD1 4.47Å; L236-L418 HydrophobicContact CD1-CD1 4.15Å; L236-L418 HydrophobicContact CG-CD1 4.16Å; L236-Y419 PolarHBondContact N-O 2.88Å; L236-A420 HydrophobicContact CB-CB 4.35Å; L236-A420 CarbonylContact O-C 3.47Å; L236-A420 VanDerWaalsContact O-CA 3.22Å; L236-A420 WeakPolarHBondContact O-CA 3.35Å; L236-A421 PolarHBondContact O-N 3.07Å; L236-T424 HydrophobicContact CB-CG2 4.49Å; L236-T424 WeakPolarHBondContact O-CG2 3.16Å
237	A	98.9	Very high	98.5	Very high	10 Å²	10	18.2 Å²	18.2	8%	0.083	9%	0.094	C	C	.	.			trans	-137.4	43.4	179.7	0	0	0	0	0	111.1	V49 A54 G239	V49-A237 CarbonylContact O-C 3.14Å; V49-A237 WeakPolarHBondContact O-CA 3.33Å; V49-A237 PolarHBondContact O-N 3.21Å; A54-A237 HydrophobicContact CB-CB 4.26Å; A237-G239 PolarHBondContact O-N 3.16Å
238	T	98.9	Very high	98.5	Very high	28 Å²	28	18.2 Å²	18.2	17%	0.172	10%	0.095	C	C	.	.			trans	-85.8	1.3	-165.3	55.1	0	0	0	0	115.7	V49 G258 M261 T424	V49-T238 HydrophobicContact CB-CG2 4.42Å; V49-T238 HydrophobicContact CG1-CG2 3.87Å; T238-G258 WeakPolarHBondContact OG1-CA 3.16Å; T238-G258 PolarHBondContact OG1-N 3.37Å; T238-M261 HydrophobicContact CG2-CE 4.34Å; T238-T424 PolarHBondContact OG1-OG1 3.45Å
239	G	98.7	Very high	98.5	Very high	23 Å²	23	17.7 Å²	17.7	24%	0.237	10%	0.095	C	C	.	.			trans	76.5	-173.8	-177.4	0	0	0	0	0	114.3	A237	A237-G239 PolarHBondContact O-N 3.16Å
240	G	98.7	Very high	98.5	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.021	10%	0.097	C	C	.	.			trans	-84.7	-168.6	-178	0	0	0	0	0	115.2	C254 T255 G256	G240-C254 CarbonylContact O-C 3.53Å; G240-C254 WeakPolarHBondContact O-CA 3.23Å; G240-T255 PolarHBondContact O-N 2.75Å; G240-G256 PolarHBondContact O-N 3.31Å; G240-G256 VanDerWaalsContact O-N 3.1Å
241	Y	98.9	Very high	98.5	Very high	1 Å²	1	16 Å²	16	0%	0.004	10%	0.096	C	C	.	.			trans	-131.2	28.6	-173.9	63.8	-90.2	0	0	0	113.6	R243 A244 C254 M272 N391 N557 T561	Y241-R243 PolarHBondContact O-N 2.77Å; Y241-A244 HydrophobicContact CD2-CB 4.06Å; Y241-A244 WeakPolarHBondContact O-CB 3.34Å; Y241-A244 PolarHBondContact O-N 2.94Å; Y241-C254 CarbonylContact C-O 3.58Å; Y241-C254 VanDerWaalsContact CA-O 3.3Å; Y241-C254 WeakPolarHBondContact CA-O 3.5Å; Y241-M272 HydrophobicContact CD1-CE 4.22Å; Y241-M272 HydrophobicContact CE1-CE 3.43Å; Y241-M272 VanDerWaalsContact CE1-CE 3.43Å; Y241-M272 HydrophobicContact CE1-SD 4.13Å; Y241-M272 HydrophobicContact CE2-CE 4.34Å; Y241-M272 VanDerWaalsContact CZ-CE 3.5Å; Y241-M272 WeakPolarHBondContact OH-CE 3.4Å; Y241-M272 PolarHBondContact OH-O 2.91Å; Y241-N391 HydrophobicContact CD1-CB 4Å; Y241-N391 VanDerWaalsContact CD1-CG 3.44Å; Y241-N391 HydrophobicContact CE1-CB 3.63Å; Y241-N391 WeakPolarHBondContact CE1-ND2 3.29Å; Y241-N391 VanDerWaalsContact CE2-ND2 3.3Å; Y241-N391 WeakPolarHBondContact CE2-ND2 3.4Å; Y241-N391 PolarHBondContact N-OD1 3.08Å; Y241-N391 PolarHBondContact OH-ND2 3.09Å; Y241-N557 HydrophobicContact CD1-CB 4.32Å; Y241-N557 HydrophobicContact CD2-CB 3.68Å; Y241-N557 HydrophobicContact CE2-CB 4.08Å; Y241-N557 HydrophobicContact CG-CB 3.81Å; Y241-T561 VanDerWaalsContact CE2-OG1 3.28Å; Y241-T561 WeakPolarHBondContact CE2-OG1 3.14Å; Y241-T561 PolarHBondContact OH-OG1 3.47Å
242	G	98.7	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-52.6	-23	-178.6	0	0	0	0	0	115	A244 Y245 C248 N391	G242-A244 PolarHBondContact O-N 2.85Å; G242-A244 VanDerWaalsContact O-N 3.13Å; G242-Y245 PolarHBondContact O-N 3.05Å; G242-Y245 VanDerWaalsContact O-N 3.09Å; G242-C248 WeakPolarHBondContact O-CB 3.27Å; G242-N391 PolarHBondContact N-OD1 3.11Å
243	R	98.7	Very high	98.6	Very high	44 Å²	44	23.8 Å²	23.8	17%	0.166	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-69.3	-1.7	174.6	-73.5	-73.6	169.1	170.9	4.8	115.3	Y241 Y245 S250 A251 H252 C254 Q499 L554	Y241-R243 PolarHBondContact O-N 2.77Å; R243-Y245 PolarHBondContact O-N 2.92Å; R243-S250 PolarHBondContact NE-O 3Å; R243-S250 VanDerWaalsContact NE-O 3.15Å; R243-S250 PolarHBondContact NH2-O 2.79Å; R243-A251 VanDerWaalsContact CG-O 3.24Å; R243-A251 WeakPolarHBondContact CG-O 3.45Å; R243-A251 PolarHBondContact NE-O 2.72Å; R243-H252 PolarHBondContact NH1-CE1 3.47Å; R243-H252 VanDerWaalsContact NH1-CE1 3.34Å; R243-H252 PolarHBondContact NH2-CD2 3.42Å; R243-H252 PolarHBondContact NH2-NE2 2.93Å; R243-C254 WeakPolarHBondContact CB-O 3.29Å; R243-C254 PolarHBondContact N-O 3.07Å; R243-Q499 WeakPolarHBondContact O-CG 3.48Å; R243-Q499 PolarHBondContact O-NE2 3.08Å; R243-L554 HydrophobicContact CB-CD1 4.34Å; R243-L554 HydrophobicContact CB-CD2 4.1Å
244	A	98.7	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-65.9	-17.7	164.9	0	0	0	0	0	112.4	Y241 G242 Q499 M502 L554 A558	Y241-A244 HydrophobicContact CD2-CB 4.06Å; Y241-A244 WeakPolarHBondContact O-CB 3.34Å; Y241-A244 PolarHBondContact O-N 2.94Å; G242-A244 PolarHBondContact O-N 2.85Å; G242-A244 VanDerWaalsContact O-N 3.13Å; A244-Q499 WeakPolarHBondContact O-CA 3.44Å; A244-M502 WeakPolarHBondContact O-CB 3.32Å; A244-M502 WeakPolarHBondContact O-CG 3.46Å; A244-L554 HydrophobicContact CB-CD2 4.14Å; A244-A558 HydrophobicContact CB-CB 4.27Å
245	Y	98.7	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-106.1	156.3	178.3	-73.4	-100.5	0	0	0	112.2	G242 R243 V275 F277 V388 M502 A506	G242-Y245 PolarHBondContact O-N 3.05Å; G242-Y245 VanDerWaalsContact O-N 3.09Å; R243-Y245 PolarHBondContact O-N 2.92Å; Y245-V275 HydrophobicContact CE2-CG1 4.09Å; Y245-V275 HydrophobicContact CE2-CG2 4.26Å; Y245-F277 HydrophobicContact CE1-CZ 4.36Å; Y245-V388 HydrophobicContact CD1-CG2 3.68Å; Y245-V388 HydrophobicContact CD2-CB 4.47Å; Y245-V388 HydrophobicContact CD2-CG1 3.94Å; Y245-V388 HydrophobicContact CD2-CG2 3.98Å; Y245-V388 HydrophobicContact CE1-CG2 4.12Å; Y245-V388 HydrophobicContact CE2-CG1 4.5Å; Y245-V388 HydrophobicContact CE2-CG2 4.4Å; Y245-V388 HydrophobicContact CG-CB 4.29Å; Y245-V388 HydrophobicContact CG-CG1 4.24Å; Y245-V388 HydrophobicContact CG-CG2 3.59Å; Y245-M502 HydrophobicContact CD1-CB 3.91Å; Y245-M502 HydrophobicContact CD2-CB 4.46Å; Y245-M502 HydrophobicContact CE1-CB 3.95Å; Y245-M502 VanDerWaalsContact CE1-O 3.31Å; Y245-M502 WeakPolarHBondContact CE1-O 3.46Å; Y245-M502 HydrophobicContact CE2-CB 4.48Å; Y245-M502 HydrophobicContact CE2-CE 3.96Å; Y245-M502 HydrophobicContact CG-CB 4.19Å; Y245-A506 HydrophobicContact CE1-CB 4.47Å; Y245-A506 VanDerWaalsContact CE1-O 3.29Å; Y245-A506 WeakPolarHBondContact CE1-O 3.41Å; Y245-A506 PolarHBondContact OH-O 3.46Å
246	F	98.3	Very high	98.6	Very high	115 Å²	115	24 Å²	24	50%	0.504	13%	0.133	S	C	.	.	S	Bend	trans	-68.7	-47.1	179.1	-178.2	-106.6	0	0	0	112.4	L496 Q499 K500 Q503	F246-L496 HydrophobicContact CD2-CD1 3.77Å; F246-L496 HydrophobicContact CE2-CD1 3.67Å; F246-Q499 HydrophobicContact CB-CB 4.1Å; F246-Q499 PolarHBondContact N-O 3.44Å; F246-K500 HydrophobicContact CD2-CG 4.4Å; F246-Q503 HydrophobicContact CB-CB 3.99Å; F246-Q503 HydrophobicContact CB-CG 4.17Å
247	S	97.2	Very high	98.6	Very high	30 Å²	30	24.4 Å²	24.4	21%	0.21	14%	0.135	C	C	.	.	S	Bend	trans	-109.6	114.4	176.2	-175.2	0	0	0	0	110.1
248	C	98.5	Very high	98.6	Very high	10 Å²	10	24 Å²	24	7%	0.068	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-143.9	153.5	176.6	65.1	0	0	0	0	111.1	G242 S250 V388	G242-C248 WeakPolarHBondContact O-CB 3.27Å; C248-S250 PolarHBondContact O-N 2.93Å; C248-V388 CarbonylContact C-O 3.48Å; C248-V388 WeakPolarHBondContact CA-O 3.3Å; C248-V388 HydrophobicContact CB-CB 3.97Å; C248-V388 HydrophobicContact CB-CG1 4.17Å; C248-V388 WeakPolarHBondContact CB-O 3.19Å
249	T	98.4	Very high	98.6	Very high	18 Å²	18	22.7 Å²	22.7	11%	0.11	12%	0.124	C	C	.	.	S	Bend	trans	-78.4	-8.7	170.5	74.5	0	0	0	0	112	H81 G286 L288 T387 V388 H389	H81-T249 PolarHBondContact CE1-O 3.4Å; T249-G286 WeakPolarHBondContact CA-O 2.99Å; T249-G286 WeakPolarHBondContact CG2-O 2.98Å; T249-L288 HydrophobicContact CG2-CB 4.19Å; T249-T387 HydrophobicContact CG2-CG2 3.86Å; T249-V388 PolarHBondContact N-O 3.25Å; T249-H389 HydrophobicContact CG2-CB 4.39Å; T249-H389 PolarHBondContact OG1-ND1 2.95Å
250	S	98.4	Very high	98.6	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	11%	0.113	C	C	.	.	S	Bend	trans	-71.8	144	-172	-49.7	0	0	0	0	111.6	R243 C248	R243-S250 PolarHBondContact NE-O 3Å; R243-S250 VanDerWaalsContact NE-O 3.15Å; R243-S250 PolarHBondContact NH2-O 2.79Å; C248-S250 PolarHBondContact O-N 2.93Å
251	A	98.4	Very high	98.6	Very high	29 Å²	29	21.5 Å²	21.5	24%	0.24	11%	0.112	C	C	.	.			trans	-57.6	157.7	171	0	0	0	0	0	110.7	H81 R243 T253 C254	H81-A251 HydrophobicContact CB-CB 4.29Å; H81-A251 PolarHBondContact CE1-N 3.18Å; H81-A251 PolarHBondContact ND1-N 2.98Å; R243-A251 VanDerWaalsContact CG-O 3.24Å; R243-A251 WeakPolarHBondContact CG-O 3.45Å; R243-A251 PolarHBondContact NE-O 2.72Å; A251-T253 PolarHBondContact O-N 2.85Å; A251-C254 PolarHBondContact O-N 2.84Å; A251-C254 VanDerWaalsContact O-N 3.12Å
252	H	98.7	Very high	98.6	Very high	143 Å²	143	21.5 Å²	21.5	66%	0.662	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.8	175.7	-75	-90.3	0	0	0	113	R243	R243-H252 PolarHBondContact NH1-CE1 3.47Å; R243-H252 VanDerWaalsContact NH1-CE1 3.34Å; R243-H252 PolarHBondContact NH2-CD2 3.42Å; R243-H252 PolarHBondContact NH2-NE2 2.93Å
253	T	98.6	Very high	98.6	Very high	36 Å²	36	21.6 Å²	21.6	22%	0.221	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.5	-175.8	53.4	0	0	0	0	114.5	K74 L75 A251 T255	K74-T253 WeakPolarHBondContact CE-O 3.26Å; K74-T253 PolarHBondContact NZ-O 2.96Å; L75-T253 HydrophobicContact CD1-CG2 3.87Å; L75-T253 HydrophobicContact CD2-CG2 3.7Å; L75-T253 HydrophobicContact CG-CG2 4.29Å; A251-T253 PolarHBondContact O-N 2.85Å; T253-T255 PolarHBondContact O-N 3.5Å; T253-T255 VanDerWaalsContact O-N 3.11Å; T253-T255 PolarHBondContact O-OG1 3Å
254	C	98.8	Very high	98.6	Very high	8 Å²	8	22.4 Å²	22.4	5%	0.054	12%	0.115	C	C	.	.			trans	-84	77.4	176.5	-63.6	0	0	0	0	110.7	G240 Y241 R243 A251	G240-C254 CarbonylContact O-C 3.53Å; G240-C254 WeakPolarHBondContact O-CA 3.23Å; Y241-C254 CarbonylContact C-O 3.58Å; Y241-C254 VanDerWaalsContact CA-O 3.3Å; Y241-C254 WeakPolarHBondContact CA-O 3.5Å; R243-C254 WeakPolarHBondContact CB-O 3.29Å; R243-C254 PolarHBondContact N-O 3.07Å; A251-C254 PolarHBondContact O-N 2.84Å; A251-C254 VanDerWaalsContact O-N 3.12Å
255	T	98.9	Very high	98.6	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.128	C	C	.	.			trans	-113.6	4.7	-166.1	51.6	0	0	0	0	114.3	K74 G240 T253 D257 E550 L554	K74-T255 PolarHBondContact NZ-OG1 3.04Å; G240-T255 PolarHBondContact O-N 2.75Å; T253-T255 PolarHBondContact O-N 3.5Å; T253-T255 VanDerWaalsContact O-N 3.11Å; T253-T255 PolarHBondContact O-OG1 3Å; T255-D257 WeakPolarHBondContact CB-OD1 3.38Å; T255-D257 VanDerWaalsContact OG1-CG 3.23Å; T255-D257 PolarHBondContact OG1-OD1 3.41Å; T255-D257 PolarHBondContact OG1-OD2 3.35Å; T255-E550 HydrophobicContact CG2-CB 3.92Å; T255-E550 HydrophobicContact CG2-CG 4.03Å; T255-L554 HydrophobicContact CG2-CD1 4.14Å; T255-L554 HydrophobicContact CG2-CG 4.31Å
256	G	98.8	Very high	98.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.			trans	65.6	38.5	176.6	0	0	0	0	0	114.3	G240 G258 T259 A260 N557	G240-G256 PolarHBondContact O-N 3.31Å; G240-G256 VanDerWaalsContact O-N 3.1Å; G256-G258 PolarHBondContact O-N 3.07Å; G256-T259 PolarHBondContact O-OG1 3.36Å; G256-A260 VanDerWaalsContact O-CB 3.25Å; G256-A260 WeakPolarHBondContact O-CB 3.43Å; G256-A260 PolarHBondContact O-N 3.27Å; G256-N557 PolarHBondContact O-ND2 2.95Å
257	D	98.9	Very high	98.6	Very high	9 Å²	9	21.8 Å²	21.8	5%	0.048	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-42.5	-173.6	-54.6	-24.7	0	0	0	111.5	K74 T255 A260 M261 N553	K74-D257 WeakPolarHBondContact CE-OD2 3.15Å; K74-D257 IonicContact NZ-OD1 3.64Å; K74-D257 IonicContact NZ-OD2 2.77Å; K74-D257 PolarHBondContact NZ-OD2 2.86Å; T255-D257 WeakPolarHBondContact CB-OD1 3.38Å; T255-D257 VanDerWaalsContact OG1-CG 3.23Å; T255-D257 PolarHBondContact OG1-OD1 3.41Å; T255-D257 PolarHBondContact OG1-OD2 3.35Å; D257-A260 WeakPolarHBondContact O-CB 3.36Å; D257-A260 PolarHBondContact O-N 2.87Å; D257-M261 WeakPolarHBondContact O-CG 3.23Å; D257-M261 PolarHBondContact O-N 3.04Å; D257-N553 PolarHBondContact OD1-ND2 2.88Å
258	G	98.9	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.9	-45.2	178.7	0	0	0	0	0	114.1	T238 G256 A260 M261 V262	T238-G258 WeakPolarHBondContact OG1-CA 3.16Å; T238-G258 PolarHBondContact OG1-N 3.37Å; G256-G258 PolarHBondContact O-N 3.07Å; G258-A260 VanDerWaalsContact C-N 3.25Å; G258-A260 PolarHBondContact O-N 3.34Å; G258-M261 PolarHBondContact O-N 2.81Å; G258-V262 PolarHBondContact O-N 2.99Å
259	T	98.9	Very high	98.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-64.3	-32.8	175.6	48.4	0	0	0	0	111.7	G256 T263 N269 I395 N557	G256-T259 PolarHBondContact O-OG1 3.36Å; T259-T263 PolarHBondContact O-N 3.49Å; T259-T263 PolarHBondContact O-OG1 3.37Å; T259-N269 PolarHBondContact O-ND2 2.98Å; T259-I395 HydrophobicContact CG2-CG1 4.18Å; T259-N557 VanDerWaalsContact CB-OD1 3.27Å; T259-N557 WeakPolarHBondContact CB-OD1 3.35Å; T259-N557 PolarHBondContact OG1-ND2 2.82Å; T259-N557 PolarHBondContact OG1-OD1 3.1Å
260	A	98.9	Very high	98.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-71.6	-39.4	173.5	0	0	0	0	0	112.8	G256 D257 G258 T263 R264 N553 L556	G256-A260 VanDerWaalsContact O-CB 3.25Å; G256-A260 WeakPolarHBondContact O-CB 3.43Å; G256-A260 PolarHBondContact O-N 3.27Å; D257-A260 WeakPolarHBondContact O-CB 3.36Å; D257-A260 PolarHBondContact O-N 2.87Å; G258-A260 VanDerWaalsContact C-N 3.25Å; G258-A260 PolarHBondContact O-N 3.34Å; A260-T263 WeakPolarHBondContact O-CB 3.43Å; A260-T263 PolarHBondContact O-N 2.58Å; A260-R264 PolarHBondContact O-N 2.69Å; A260-N553 HydrophobicContact CB-CB 3.54Å; A260-N553 VanDerWaalsContact CB-OD1 3.3Å; A260-N553 WeakPolarHBondContact CB-OD1 3.36Å; A260-L556 HydrophobicContact CB-CD1 4.02Å
261	M	98.9	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-43.4	172.7	-72.7	-169.1	-73.7	0	0	111.8	V49 A203 M204 L206 L236 T238 D257 G258 T263 R264 A265	V49-M261 HydrophobicContact CG1-CE 4.29Å; A203-M261 HydrophobicContact CB-CE 4.2Å; A203-M261 HydrophobicContact CB-SD 4.08Å; M204-M261 WeakPolarHBondContact O-CG 3.34Å; L206-M261 HydrophobicContact CG-CB 4.26Å; L236-M261 HydrophobicContact CD2-CE 3.66Å; T238-M261 HydrophobicContact CG2-CE 4.34Å; D257-M261 WeakPolarHBondContact O-CG 3.23Å; D257-M261 PolarHBondContact O-N 3.04Å; G258-M261 PolarHBondContact O-N 2.81Å; M261-T263 VanDerWaalsContact C-N 3.34Å; M261-R264 PolarHBondContact O-N 2.79Å; M261-A265 WeakPolarHBondContact O-CB 3.37Å; M261-A265 PolarHBondContact O-N 3.44Å
262	V	98.8	Very high	98.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-41	175.4	167.1	0	0	0	0	111.3	L206 L236 G258 A265 G266 L267 I395 L418	L206-V262 HydrophobicContact CD1-CG2 4.16Å; L236-V262 HydrophobicContact CD1-CG2 3.67Å; G258-V262 PolarHBondContact O-N 2.99Å; V262-A265 WeakPolarHBondContact O-CB 3.16Å; V262-A265 PolarHBondContact O-N 2.8Å; V262-G266 PolarHBondContact O-N 2.94Å; V262-L267 HydrophobicContact CG1-CB 3.48Å; V262-L267 VanDerWaalsContact CG1-CB 3.48Å; V262-L267 HydrophobicContact CG1-CD1 4.42Å; V262-L267 WeakPolarHBondContact O-CB 3.41Å; V262-L267 PolarHBondContact O-N 3.34Å; V262-I395 HydrophobicContact CB-CD1 4.4Å; V262-I395 HydrophobicContact CB-CG1 4.15Å; V262-I395 HydrophobicContact CG1-CG1 4.28Å; V262-I395 HydrophobicContact CG1-CG2 4.39Å; V262-I395 HydrophobicContact CG2-CD1 3.54Å; V262-I395 HydrophobicContact CG2-CG1 3.73Å; V262-I395 HydrophobicContact CG2-CG2 4.23Å; V262-L418 HydrophobicContact CG2-CD2 4.4Å
263	T	98.8	Very high	98.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-59.1	-49.6	174.1	-58.4	0	0	0	0	111.6	T259 A260 M261 A265 G266 N269 L556 Q560 M613	T259-T263 PolarHBondContact O-N 3.49Å; T259-T263 PolarHBondContact O-OG1 3.37Å; A260-T263 WeakPolarHBondContact O-CB 3.43Å; A260-T263 PolarHBondContact O-N 2.58Å; M261-T263 VanDerWaalsContact C-N 3.34Å; T263-A265 PolarHBondContact O-N 2.92Å; T263-G266 PolarHBondContact O-N 2.87Å; T263-N269 PolarHBondContact OG1-ND2 3.29Å; T263-L556 HydrophobicContact CG2-CD1 4.19Å; T263-L556 HydrophobicContact CG2-CD2 4.23Å; T263-Q560 PolarHBondContact OG1-NE2 3.42Å; T263-M613 HydrophobicContact CG2-CB 3.81Å
264	R	98.6	Very high	98.7	Very high	62 Å²	62	9 Å²	9	23%	0.234	6%	0.061	C	C	.	.	H	α-helix	trans	-65.4	-28.1	179.2	-73	-173.5	-66.1	-88.4	3	112.9	M204 D205 A260 M261 G266 N553 L556 P615	M204-R264 PolarHBondContact O-NH2 2.74Å; D205-R264 WeakPolarHBondContact OD1-CD 3.48Å; D205-R264 IonicContact OD1-CZ 3.93Å; D205-R264 IonicContact OD1-NE 3.39Å; D205-R264 PolarHBondContact OD1-NE 2.71Å; D205-R264 IonicContact OD1-NH2 3.69Å; D205-R264 IonicContact OD2-NE 3.23Å; A260-R264 PolarHBondContact O-N 2.69Å; M261-R264 PolarHBondContact O-N 2.79Å; R264-G266 PolarHBondContact O-N 2.76Å; R264-N553 PolarHBondContact NH1-OD1 3.29Å; R264-N553 PolarHBondContact NH2-OD1 3.47Å; R264-N553 VanDerWaalsContact NH2-OD1 3.08Å; R264-L556 HydrophobicContact CG-CD1 4.06Å; R264-P615 HydrophobicContact CB-CG 4.49Å; R264-P615 HydrophobicContact CG-CB 4.36Å; R264-P615 HydrophobicContact CG-CG 3.94Å
265	A	98.4	Very high	98.7	Very high	32 Å²	32	8.7 Å²	8.7	26%	0.264	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-0.9	171.4	0	0	0	0	0	114.1	L206 M208 M261 V262 T263 L267	L206-A265 HydrophobicContact CD1-CB 4.17Å; M208-A265 HydrophobicContact CG-CB 3.78Å; M208-A265 HydrophobicContact SD-CB 4.34Å; M261-A265 WeakPolarHBondContact O-CB 3.37Å; M261-A265 PolarHBondContact O-N 3.44Å; V262-A265 WeakPolarHBondContact O-CB 3.16Å; V262-A265 PolarHBondContact O-N 2.8Å; T263-A265 PolarHBondContact O-N 2.92Å; A265-L267 VanDerWaalsContact C-N 3.32Å; A265-L267 HydrophobicContact CB-CD1 4.35Å; A265-L267 HydrophobicContact CB-CG 4.41Å
266	G	97.7	Very high	98.7	Very high	49 Å²	49	8.6 Å²	8.6	51%	0.505	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	19.2	-179.3	0	0	0	0	0	113.9	V262 T263 R264	V262-G266 PolarHBondContact O-N 2.94Å; T263-G266 PolarHBondContact O-N 2.87Å; R264-G266 PolarHBondContact O-N 2.76Å
267	L	98.5	Very high	98.7	Very high	20 Å²	20	9 Å²	9	11%	0.105	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-99.9	154	178.3	-65.1	174	0	0	0	110.5	M208 V262 A265 V415 L418	M208-L267 HydrophobicContact CE-CD1 4.06Å; V262-L267 HydrophobicContact CG1-CB 3.48Å; V262-L267 VanDerWaalsContact CG1-CB 3.48Å; V262-L267 HydrophobicContact CG1-CD1 4.42Å; V262-L267 WeakPolarHBondContact O-CB 3.41Å; V262-L267 PolarHBondContact O-N 3.34Å; A265-L267 VanDerWaalsContact C-N 3.32Å; A265-L267 HydrophobicContact CB-CD1 4.35Å; A265-L267 HydrophobicContact CB-CG 4.41Å; L267-V415 HydrophobicContact CD1-CG1 4.03Å; L267-V415 HydrophobicContact CD1-CG2 4.22Å; L267-V415 HydrophobicContact CD2-CG2 3.86Å; L267-L418 HydrophobicContact CD1-CD2 3.77Å
268	P	98.5	Very high	98.7	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-76.5	148.3	-179.9	28.5	-30.3	0	0	0	112.2	P396 L610 V611 W612	P268-P396 HydrophobicContact CG-CG 4.3Å; P268-P396 WeakPolarHBondContact O-CD 3.34Å; P268-L610 HydrophobicContact CB-CB 4.31Å; P268-L610 HydrophobicContact CB-CD2 4.37Å; P268-V611 WeakPolarHBondContact CA-O 3.49Å; P268-W612 HydrophobicContact CB-CD2 3.96Å; P268-W612 HydrophobicContact CB-CE3 4.37Å; P268-W612 HydrophobicContact CB-CH2 4.02Å; P268-W612 HydrophobicContact CB-CZ2 3.58Å; P268-W612 HydrophobicContact CB-CZ3 4.38Å; P268-W612 HydrophobicContact CG-CH2 4.36Å; P268-W612 HydrophobicContact CG-CZ2 3.65Å
269	N	98.9	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	165.9	149.7	-68	-54	0	0	0	109.7	T259 T263 M272 G394 Q560 L610 V611	T259-N269 PolarHBondContact O-ND2 2.98Å; T263-N269 PolarHBondContact OG1-ND2 3.29Å; N269-M272 HydrophobicContact CB-CG 3.91Å; N269-M272 HydrophobicContact CB-SD 3.7Å; N269-G394 CarbonylContact C-O 3.59Å; N269-G394 WeakPolarHBondContact CA-O 3.47Å; N269-Q560 PolarHBondContact ND2-OE1 2.94Å; N269-L610 WeakPolarHBondContact O-CA 3.4Å; N269-V611 HydrophobicContact CB-CG1 4.18Å; N269-V611 PolarHBondContact N-O 2.92Å; N269-V611 PolarHBondContact O-N 3.41Å
270	S	98.8	Very high	98.7	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.014	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.1	-178.2	-166.7	0	0	0	0	111.5	M272 G393 G394 T609	S270-M272 VanDerWaalsContact C-N 3.25Å; S270-M272 PolarHBondContact O-N 3.15Å; S270-M272 VanDerWaalsContact O-N 3.14Å; S270-G393 CarbonylContact O-C 3.53Å; S270-G393 WeakPolarHBondContact O-CA 3.29Å; S270-G394 PolarHBondContact N-O 3.27Å; S270-G394 PolarHBondContact O-N 2.88Å; S270-T609 CarbonylContact C-O 3.48Å; S270-T609 WeakPolarHBondContact CA-O 3.29Å; S270-T609 PolarHBondContact OG-O 2.84Å
271	D	98.9	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.056	C	C	.	.			trans	56.5	31	166.5	-68.4	-14	0	0	0	115.6	E273 F274 G393 H608 T609	D271-E273 WeakPolarHBondContact CA-OE2 3.43Å; D271-E273 PolarHBondContact O-N 3.03Å; D271-E273 VanDerWaalsContact O-N 3.16Å; D271-F274 HydrophobicContact CB-CD2 3.71Å; D271-F274 HydrophobicContact CB-CE2 4.26Å; D271-F274 PolarHBondContact O-N 2.95Å; D271-F274 VanDerWaalsContact O-N 3.1Å; D271-G393 VanDerWaalsContact O-CA 3.29Å; D271-G393 WeakPolarHBondContact O-CA 3.42Å; D271-G393 PolarHBondContact O-N 2.88Å; D271-H608 WeakPolarHBondContact OD1-CA 3.36Å; D271-H608 WeakPolarHBondContact OD1-CB 3.45Å; D271-H608 IonicContact OD1-ND1 3.84Å; D271-H608 IonicContact OD2-CE1 3.99Å; D271-H608 IonicContact OD2-CG 3.86Å; D271-H608 IonicContact OD2-ND1 3.84Å; D271-H608 PolarHBondContact OD2-ND1 3.01Å; D271-T609 PolarHBondContact N-O 3.09Å; D271-T609 PolarHBondContact OD1-N 2.85Å
272	M	98.8	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.1	-175.2	-61.8	-62	-76.7	0	0	113.4	Y241 N269 S270 F274 N557 Q560 T561 V611	Y241-M272 HydrophobicContact CD1-CE 4.22Å; Y241-M272 HydrophobicContact CE1-CE 3.43Å; Y241-M272 VanDerWaalsContact CE1-CE 3.43Å; Y241-M272 HydrophobicContact CE1-SD 4.13Å; Y241-M272 HydrophobicContact CE2-CE 4.34Å; Y241-M272 VanDerWaalsContact CZ-CE 3.5Å; Y241-M272 WeakPolarHBondContact OH-CE 3.4Å; Y241-M272 PolarHBondContact OH-O 2.91Å; N269-M272 HydrophobicContact CB-CG 3.91Å; N269-M272 HydrophobicContact CB-SD 3.7Å; S270-M272 VanDerWaalsContact C-N 3.25Å; S270-M272 PolarHBondContact O-N 3.15Å; S270-M272 VanDerWaalsContact O-N 3.14Å; M272-F274 PolarHBondContact O-N 2.82Å; M272-N557 HydrophobicContact CE-CB 4.17Å; M272-N557 WeakPolarHBondContact CE-OD1 3.19Å; M272-Q560 HydrophobicContact CB-CB 4.38Å; M272-Q560 HydrophobicContact CG-CB 4.21Å; M272-T561 WeakPolarHBondContact O-CG2 3.46Å; M272-T561 PolarHBondContact O-OG1 3.24Å; M272-V611 HydrophobicContact CG-CG1 3.8Å
273	E	98.9	Very high	98.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.1	178	70	-85.1	-145.2	0	0	114.1	D271 V275 R510 S564 A565 R568 T609	D271-E273 WeakPolarHBondContact CA-OE2 3.43Å; D271-E273 PolarHBondContact O-N 3.03Å; D271-E273 VanDerWaalsContact O-N 3.16Å; E273-V275 PolarHBondContact O-N 2.9Å; E273-R510 PolarHBondContact O-NH1 3.28Å; E273-R510 PolarHBondContact O-NH2 3.44Å; E273-S564 WeakPolarHBondContact OE2-CB 3.47Å; E273-A565 HydrophobicContact CB-CB 3.82Å; E273-R568 IonicContact OE1-CZ 2.89Å; E273-R568 IonicContact OE1-NE 3.65Å; E273-R568 PolarHBondContact OE1-NE 2.87Å; E273-R568 IonicContact OE1-NH2 3.92Å; E273-R568 PolarHBondContact OE1-NH2 2.84Å; E273-T609 WeakPolarHBondContact OE1-CB 3.36Å; E273-T609 PolarHBondContact OE1-OG1 2.81Å
274	F	98.9	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.104	C	C	.	.			trans	-88.1	90.7	-179.6	-61.2	-78.8	0	0	0	109.6	L115 D271 M272 M392 A432 R572 H575	L115-F274 HydrophobicContact CD2-CD2 3.95Å; L115-F274 HydrophobicContact CD2-CE1 4.07Å; L115-F274 HydrophobicContact CD2-CE2 3.29Å; L115-F274 HydrophobicContact CD2-CZ 3.35Å; D271-F274 HydrophobicContact CB-CD2 3.71Å; D271-F274 HydrophobicContact CB-CE2 4.26Å; D271-F274 PolarHBondContact O-N 2.95Å; D271-F274 VanDerWaalsContact O-N 3.1Å; M272-F274 PolarHBondContact O-N 2.82Å; F274-M392 HydrophobicContact CB-CB 3.98Å; F274-M392 HydrophobicContact CB-CE 3.89Å; F274-M392 WeakPolarHBondContact O-CE 3.42Å; F274-M392 PolarHBondContact O-N 3.49Å; F274-M392 VanDerWaalsContact O-N 3.11Å; F274-A432 HydrophobicContact CD1-CB 3.55Å; F274-A432 HydrophobicContact CE1-CB 3.42Å; F274-A432 VanDerWaalsContact CE1-CB 3.42Å; F274-A432 HydrophobicContact CG-CB 4.4Å; F274-A432 HydrophobicContact CZ-CB 4.19Å; F274-R572 HydrophobicContact CE1-CB 4.42Å; F274-H575 HydrophobicContact CD1-CB 3.87Å; F274-H575 HydrophobicContact CE1-CB 3.65Å
275	V	98.9	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.8	175.9	-179.6	0	0	0	0	108.8	Y245 E273 F277 V388 T561 A574	Y245-V275 HydrophobicContact CE2-CG1 4.09Å; Y245-V275 HydrophobicContact CE2-CG2 4.26Å; E273-V275 PolarHBondContact O-N 2.9Å; V275-F277 HydrophobicContact CB-CE2 4.48Å; V275-F277 HydrophobicContact CG1-CE2 4.39Å; V275-F277 WeakPolarHBondContact O-CD2 3.13Å; V275-V388 HydrophobicContact CG1-CG1 3.75Å; V275-V388 HydrophobicContact CG1-CG2 4.28Å; V275-T561 HydrophobicContact CG2-CG2 3.96Å; V275-A574 WeakPolarHBondContact O-CB 3.4Å
276	Q	98.9	Very high	98.1	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.7	178.2	178.5	164.3	94.9	0	0	110.8	R322 H389 Y390 M392 N433 R434	Q276-R322 HydrophobicContact CG-CB 4.45Å; Q276-R322 VanDerWaalsContact OE1-CD 3.23Å; Q276-H389 PolarHBondContact O-N 3.16Å; Q276-Y390 PolarHBondContact N-O 3.25Å; Q276-Y390 PolarHBondContact O-N 3.45Å; Q276-M392 HydrophobicContact CB-CE 3.8Å; Q276-M392 HydrophobicContact CB-SD 3.53Å; Q276-M392 VanDerWaalsContact CB-SD 3.53Å; Q276-N433 PolarHBondContact NE2-OD1 3.19Å; Q276-R434 PolarHBondContact NE2-O 2.83Å
277	F	98.8	Very high	98.1	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.035	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.8	165.2	-62	-100.9	0	0	0	107.6	Y245 V275 S326 P386 T387 V388 V508	Y245-F277 HydrophobicContact CE1-CZ 4.36Å; V275-F277 HydrophobicContact CB-CE2 4.48Å; V275-F277 HydrophobicContact CG1-CE2 4.39Å; V275-F277 WeakPolarHBondContact O-CD2 3.13Å; F277-S326 PolarHBondContact O-OG 2.91Å; F277-P386 HydrophobicContact CB-CB 4.16Å; F277-T387 CarbonylContact C-O 3.54Å; F277-T387 VanDerWaalsContact CA-O 3.27Å; F277-T387 WeakPolarHBondContact CA-O 3.42Å; F277-V388 HydrophobicContact CD1-CG2 3.76Å; F277-V388 HydrophobicContact CE1-CG2 3.29Å; F277-V388 HydrophobicContact CZ-CG2 3.78Å; F277-V508 HydrophobicContact CB-CG2 4.02Å; F277-V508 HydrophobicContact CD1-CG2 3.69Å; F277-V508 HydrophobicContact CD2-CG2 3.93Å; F277-V508 HydrophobicContact CE1-CG2 4.13Å; F277-V508 HydrophobicContact CE2-CG2 4.38Å; F277-V508 HydrophobicContact CG-CG2 3.6Å; F277-V508 HydrophobicContact CZ-CG2 4.48Å
278	H	98.7	Very high	98.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	133.6	171.9	-167.5	-87.2	0	0	0	108.7	T280 L288 I289 R322 P386 T387 H389	H278-T280 PolarHBondContact CE1-OG1 2.7Å; H278-T280 PolarHBondContact ND1-N 3.17Å; H278-T280 VanDerWaalsContact ND1-N 3.2Å; H278-T280 PolarHBondContact ND1-OG1 3.3Å; H278-T280 PolarHBondContact O-N 3.14Å; H278-L288 HydrophobicContact CB-CD1 4.33Å; H278-L288 VanDerWaalsContact CE1-CD1 3.44Å; H278-L288 WeakPolarHBondContact CE1-CD1 3.37Å; H278-L288 WeakPolarHBondContact ND1-CD1 3.49Å; H278-I289 PolarHBondContact CE1-O 2.94Å; H278-R322 PolarHBondContact CD2-NH2 2.97Å; H278-R322 PolarHBondContact NE2-NH2 2.91Å; H278-P386 VanDerWaalsContact O-CA 3.31Å; H278-P386 WeakPolarHBondContact O-CA 3.38Å; H278-T387 PolarHBondContact N-O 2.7Å; H278-T387 PolarHBondContact O-N 3.2Å; H278-H389 HydrophobicContact CB-CB 3.57Å; H278-H389 AromaticContact CD2-CD2 3.91Å; H278-H389 AromaticContact CD2-NE2 3.95Å
279	P	98.5	Very high	98.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	-37	-176.1	-29.5	36.7	0	0	0	113.9	R322 V325 S326 M329 L385	P279-R322 HydrophobicContact CG-CB 4.37Å; P279-R322 HydrophobicContact CG-CG 4.39Å; P279-V325 HydrophobicContact CB-CB 4.17Å; P279-V325 HydrophobicContact CB-CG1 3.66Å; P279-V325 HydrophobicContact CG-CB 3.75Å; P279-V325 HydrophobicContact CG-CG1 3.81Å; P279-S326 WeakPolarHBondContact CA-OG 3.37Å; P279-M329 HydrophobicContact CB-SD 3.78Å; P279-M329 WeakPolarHBondContact O-CE 3.41Å; P279-L385 CarbonylContact O-C 3.57Å
280	T	98.5	Very high	98.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	61.8	-167	51.8	0	0	0	0	113.8	H278 I289 L300 L348 V384	H278-T280 PolarHBondContact CE1-OG1 2.7Å; H278-T280 PolarHBondContact ND1-N 3.17Å; H278-T280 VanDerWaalsContact ND1-N 3.2Å; H278-T280 PolarHBondContact ND1-OG1 3.3Å; H278-T280 PolarHBondContact O-N 3.14Å; T280-I289 WeakPolarHBondContact O-CB 3.43Å; T280-I289 PolarHBondContact O-N 3.34Å; T280-I289 PolarHBondContact OG1-O 3.14Å; T280-L300 HydrophobicContact CG2-CD2 3.91Å; T280-L348 HydrophobicContact CG2-CD2 4.29Å; T280-V384 HydrophobicContact CG2-CB 4.25Å; T280-V384 HydrophobicContact CG2-CG1 4.37Å; T280-V384 HydrophobicContact CG2-CG2 4.04Å
281	G	98.4	Very high	98.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	140.9	159.8	0	0	0	0	0	109.6	Y283 V384 L385 T387	G281-Y283 PolarHBondContact O-N 2.9Å; G281-V384 CarbonylContact O-C 3.43Å; G281-V384 WeakPolarHBondContact O-CA 3.37Å; G281-L385 PolarHBondContact N-O 3.32Å; G281-L385 WeakPolarHBondContact O-CD2 3.39Å; G281-L385 PolarHBondContact O-N 3.07Å; G281-T387 WeakPolarHBondContact CA-OG1 3.43Å
282	I	97.9	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.9	-179.8	-152.1	173.9	0	0	0	109.6	A285 G286 C287 I289 F372 A373 I382	I282-A285 HydrophobicContact CG2-CB 3.73Å; I282-G286 WeakPolarHBondContact O-CA 3.47Å; I282-G286 PolarHBondContact O-N 2.84Å; I282-C287 HydrophobicContact CG2-CB 3.78Å; I282-C287 PolarHBondContact N-O 2.89Å; I282-I289 HydrophobicContact CB-CG1 4.45Å; I282-F372 HydrophobicContact CD1-CB 3.88Å; I282-F372 HydrophobicContact CG2-CB 4.43Å; I282-A373 HydrophobicContact CD1-CB 3.53Å; I282-A373 HydrophobicContact CG1-CB 4.04Å; I282-I382 HydrophobicContact CD1-CG2 4.37Å; I282-I382 HydrophobicContact CG1-CG2 4.12Å
283	Y	97.2	Very high	98	Very high	72 Å²	72	12.8 Å²	12.8	28%	0.282	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	138	178.6	178.8	-107.7	0	0	0	111.2	G281 A285 D344 H345 P383 L385	G281-Y283 PolarHBondContact O-N 2.9Å; Y283-A285 PolarHBondContact O-N 3.06Å; Y283-A285 VanDerWaalsContact O-N 3.14Å; Y283-D344 WeakPolarHBondContact CE2-OD1 3.4Å; Y283-D344 WeakPolarHBondContact CE2-OD2 3.27Å; Y283-D344 PolarHBondContact OH-OD1 2.79Å; Y283-D344 PolarHBondContact OH-OD2 2.86Å; Y283-H345 AromaticContact CD1-CE1 3.8Å; Y283-H345 AromaticContact CD1-ND1 3.79Å; Y283-H345 HydrophobicContact CD2-CB 3.65Å; Y283-H345 AromaticContact CD2-CG 3.8Å; Y283-H345 AromaticContact CD2-ND1 3.7Å; Y283-H345 AromaticContact CE1-CE1 3.84Å; Y283-H345 AromaticContact CE1-ND1 3.82Å; Y283-H345 HydrophobicContact CE2-CB 4.3Å; Y283-H345 AromaticContact CE2-ND1 3.74Å; Y283-H345 HydrophobicContact CG-CB 3.99Å; Y283-H345 AromaticContact CG-CG 3.76Å; Y283-H345 AromaticContact CG-ND1 3.74Å; Y283-H345 AromaticContact CZ-ND1 3.81Å; Y283-P383 PolarHBondContact N-O 3.02Å; Y283-L385 HydrophobicContact CD2-CD1 4.2Å; Y283-L385 HydrophobicContact CD2-CD2 4.45Å
284	G	95.1	Very high	98	Very high	70 Å²	70	13 Å²	13	72%	0.722	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	-75.2	-171.5	0	0	0	0	0	113.1	G286	G284-G286 PolarHBondContact O-N 2.8Å
285	A	95.3	Very high	97.9	Very high	54 Å²	54	13.7 Å²	13.7	45%	0.446	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.2	-169.1	0	0	0	0	0	114.9	I282 Y283 C287 F372	I282-A285 HydrophobicContact CG2-CB 3.73Å; Y283-A285 PolarHBondContact O-N 3.06Å; Y283-A285 VanDerWaalsContact O-N 3.14Å; A285-C287 PolarHBondContact O-N 2.63Å; A285-F372 HydrophobicContact CB-CB 4.13Å; A285-F372 HydrophobicContact CB-CD1 3.95Å; A285-F372 HydrophobicContact CB-CG 4.34Å
286	G	96.8	Very high	97.9	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.031	10%	0.103	C	C	.	.			trans	75.6	0.5	179.8	0	0	0	0	0	115.5	T249 I282 G284	T249-G286 WeakPolarHBondContact CA-O 2.99Å; T249-G286 WeakPolarHBondContact CG2-O 2.98Å; I282-G286 WeakPolarHBondContact O-CA 3.47Å; I282-G286 PolarHBondContact O-N 2.84Å; G284-G286 PolarHBondContact O-N 2.8Å
287	C	97.2	Very high	97.9	Very high	34 Å²	34	16.5 Å²	16.5	23%	0.23	12%	0.12	C	C	.	.			trans	-56.4	137.6	173.8	-55.6	0	0	0	0	111.8	I282 A285 I289 T368	I282-C287 HydrophobicContact CG2-CB 3.78Å; I282-C287 PolarHBondContact N-O 2.89Å; A285-C287 PolarHBondContact O-N 2.63Å; C287-I289 PolarHBondContact O-N 3.35Å; C287-T368 HydrophobicContact CB-CG2 3.93Å
288	L	98.4	Very high	97.9	Very high	21 Å²	21	16.2 Å²	16.2	11%	0.11	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-66.2	131.1	178.4	175.8	66.7	0	0	0	111.6	Q86 T249 H278	Q86-L288 HydrophobicContact CG-CD2 4.33Å; Q86-L288 PolarHBondContact NE2-O 3.38Å; Q86-L288 PolarHBondContact OE1-O 3.07Å; T249-L288 HydrophobicContact CG2-CB 4.19Å; H278-L288 HydrophobicContact CB-CD1 4.33Å; H278-L288 VanDerWaalsContact CE1-CD1 3.44Å; H278-L288 WeakPolarHBondContact CE1-CD1 3.37Å; H278-L288 WeakPolarHBondContact ND1-CD1 3.49Å
289	I	98.5	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	13%	0.126	C	C	.	.			trans	-105	118.4	158.1	-57.9	-64.9	0	0	0	107.8	H278 T280 I282 C287 L348 I365 T368 I382	H278-I289 PolarHBondContact CE1-O 2.94Å; T280-I289 WeakPolarHBondContact O-CB 3.43Å; T280-I289 PolarHBondContact O-N 3.34Å; T280-I289 PolarHBondContact OG1-O 3.14Å; I282-I289 HydrophobicContact CB-CG1 4.45Å; C287-I289 PolarHBondContact O-N 3.35Å; I289-L348 HydrophobicContact CG2-CD2 3.56Å; I289-I365 HydrophobicContact CD1-CB 3.99Å; I289-I365 HydrophobicContact CD1-CG2 4.24Å; I289-I365 HydrophobicContact CG2-CB 4.2Å; I289-I365 HydrophobicContact CG2-CG2 4.16Å; I289-T368 HydrophobicContact CD1-CG2 4.23Å; I289-I382 HydrophobicContact CD1-CD1 4.42Å; I289-I382 HydrophobicContact CD1-CG2 4.46Å; I289-I382 HydrophobicContact CG1-CG2 4.18Å; I289-I382 HydrophobicContact CG2-CD1 4.13Å
290	T	98.3	Very high	97.9	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	13%	0.126	C	C	.	.			trans	-52.7	140.7	-171.3	-173.9	0	0	0	0	113.6	Q86 G87 D176 G292 S293 L362 I365	Q86-T290 VanDerWaalsContact OE1-CB 3.25Å; G87-T290 WeakPolarHBondContact CA-OG1 3.21Å; G87-T290 PolarHBondContact N-OG1 3.14Å; D176-T290 HydrophobicContact CB-CG2 4.06Å; T290-G292 PolarHBondContact O-N 2.92Å; T290-G292 VanDerWaalsContact O-N 3.16Å; T290-G292 PolarHBondContact OG1-N 3.32Å; T290-S293 WeakPolarHBondContact O-CB 3.46Å; T290-S293 PolarHBondContact O-N 3.27Å; T290-S293 PolarHBondContact O-OG 3.26Å; T290-L362 HydrophobicContact CG2-CD2 3.86Å; T290-I365 HydrophobicContact CG2-CG2 3.78Å
291	E	98.4	Very high	97.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.8	164.8	174.8	162.8	109.3	0	0	112.3	F155 G156 S293 R294 G295 R322	F155-E291 HydrophobicContact CD1-CB 4.26Å; F155-E291 HydrophobicContact CD1-CG 3.84Å; F155-E291 WeakPolarHBondContact CD1-OE1 3.23Å; F155-E291 HydrophobicContact CE1-CB 3.62Å; F155-E291 HydrophobicContact CE1-CG 3.73Å; F155-E291 WeakPolarHBondContact CE1-OE1 3.37Å; F155-E291 HydrophobicContact CE2-CB 4.31Å; F155-E291 HydrophobicContact CG-CG 4.28Å; F155-E291 HydrophobicContact CZ-CB 3.63Å; F155-E291 HydrophobicContact CZ-CG 4.08Å; G156-E291 WeakPolarHBondContact CA-OE1 3.47Å; G156-E291 PolarHBondContact N-OE1 2.97Å; E291-S293 PolarHBondContact O-N 2.9Å; E291-R294 VanDerWaalsContact CB-NH2 3.31Å; E291-R294 WeakPolarHBondContact O-CB 3.18Å; E291-R294 PolarHBondContact O-N 3.19Å; E291-R294 IonicContact OE2-CZ 3.58Å; E291-R294 IonicContact OE2-NH1 3.51Å; E291-R294 PolarHBondContact OE2-NH1 3.43Å; E291-R294 IonicContact OE2-NH2 3.17Å; E291-R294 PolarHBondContact OE2-NH2 3.44Å; E291-G295 PolarHBondContact O-N 2.88Å; E291-R322 IonicContact OE1-NE 3.98Å; E291-R322 VanDerWaalsContact OE2-CG 3.3Å; E291-R322 WeakPolarHBondContact OE2-CG 3.34Å; E291-R322 IonicContact OE2-NE 2.79Å; E291-R322 PolarHBondContact OE2-NE 3.23Å
292	G	97.7	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.5	-29.7	168.7	0	0	0	0	0	112.8	F155 T290 R294 G295 E296	F155-G292 VanDerWaalsContact CE2-CA 3.5Å; T290-G292 PolarHBondContact O-N 2.92Å; T290-G292 VanDerWaalsContact O-N 3.16Å; T290-G292 PolarHBondContact OG1-N 3.32Å; G292-R294 VanDerWaalsContact C-N 3.27Å; G292-R294 PolarHBondContact O-N 2.6Å; G292-G295 CarbonylContact O-C 3.42Å; G292-G295 WeakPolarHBondContact O-CA 3.39Å; G292-G295 PolarHBondContact O-N 3.3Å; G292-E296 VanDerWaalsContact O-CG 3.3Å; G292-E296 WeakPolarHBondContact O-CG 3.46Å; G292-E296 PolarHBondContact O-N 2.78Å
293	S	98.5	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-37.5	174.4	-56.8	0	0	0	0	112.3	T290 E291 G298	T290-S293 WeakPolarHBondContact O-CB 3.46Å; T290-S293 PolarHBondContact O-N 3.27Å; T290-S293 PolarHBondContact O-OG 3.26Å; E291-S293 PolarHBondContact O-N 2.9Å; S293-G298 VanDerWaalsContact O-CA 3.24Å; S293-G298 WeakPolarHBondContact O-CA 3.47Å; S293-G298 PolarHBondContact O-N 2.89Å
294	R	98.7	Very high	98	Very high	6 Å²	6	25.2 Å²	25.2	2%	0.023	17%	0.168	C	C	.	.	H	α-helix	trans	-75.3	-34.8	172.4	-68	176.1	-79.7	131.1	-2.9	111.7	E291 G292 E296 G297 G298 D318 L319 L348	E291-R294 VanDerWaalsContact CB-NH2 3.31Å; E291-R294 WeakPolarHBondContact O-CB 3.18Å; E291-R294 PolarHBondContact O-N 3.19Å; E291-R294 IonicContact OE2-CZ 3.58Å; E291-R294 IonicContact OE2-NH1 3.51Å; E291-R294 PolarHBondContact OE2-NH1 3.43Å; E291-R294 IonicContact OE2-NH2 3.17Å; E291-R294 PolarHBondContact OE2-NH2 3.44Å; G292-R294 VanDerWaalsContact C-N 3.27Å; G292-R294 PolarHBondContact O-N 2.6Å; R294-E296 VanDerWaalsContact C-N 3.3Å; R294-E296 PolarHBondContact O-N 2.95Å; R294-G297 PolarHBondContact O-N 2.88Å; R294-G297 VanDerWaalsContact O-N 3.09Å; R294-G298 WeakPolarHBondContact CA-O 3.49Å; R294-D318 HydrophobicContact CB-CB 4.38Å; R294-D318 WeakPolarHBondContact CD-O 3.35Å; R294-D318 HydrophobicContact CG-CB 4.17Å; R294-D318 PolarHBondContact NH1-O 2.71Å; R294-L319 HydrophobicContact CB-CD2 3.92Å; R294-L348 HydrophobicContact CG-CD1 3.98Å
295	G	98.2	Very high	98.1	Very high	14 Å²	14	24.6 Å²	24.6	14%	0.144	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-34.3	174.9	0	0	0	0	0	114.1	A154 E291 G292 G297	A154-G295 VanDerWaalsContact O-CA 3.29Å; A154-G295 WeakPolarHBondContact O-CA 3.22Å; E291-G295 PolarHBondContact O-N 2.88Å; G292-G295 CarbonylContact O-C 3.42Å; G292-G295 WeakPolarHBondContact O-CA 3.39Å; G292-G295 PolarHBondContact O-N 3.3Å; G295-G297 VanDerWaalsContact C-N 3.26Å; G295-G297 PolarHBondContact O-N 3.03Å
296	E	98.4	Very high	98.2	Very high	25 Å²	25	25 Å²	25	12%	0.117	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4	175.7	-58.8	-66.2	173.2	0	0	112.9	Y151 R153 G292 R294 L353 R361 L362	Y151-E296 PolarHBondContact OH-OE1 3.05Å; Y151-E296 PolarHBondContact OH-OE2 3.31Å; R153-E296 IonicContact CZ-OE1 3.56Å; R153-E296 VanDerWaalsContact CZ-OE1 3.26Å; R153-E296 IonicContact NE-OE1 2.86Å; R153-E296 PolarHBondContact NE-OE1 3.31Å; R153-E296 IonicContact NH1-OE1 3.76Å; R153-E296 IonicContact NH2-OE1 3.72Å; R153-E296 PolarHBondContact NH2-OE1 2.74Å; G292-E296 VanDerWaalsContact O-CG 3.3Å; G292-E296 WeakPolarHBondContact O-CG 3.46Å; G292-E296 PolarHBondContact O-N 2.78Å; R294-E296 VanDerWaalsContact C-N 3.3Å; R294-E296 PolarHBondContact O-N 2.95Å; E296-L353 HydrophobicContact CB-CD1 4.48Å; E296-L353 WeakPolarHBondContact O-CD2 3.27Å; E296-R361 HydrophobicContact CG-CB 4.12Å; E296-L362 HydrophobicContact CB-CD1 4.32Å; E296-L362 HydrophobicContact CG-CD1 4.3Å; E296-L362 HydrophobicContact CG-CD2 4.2Å; E296-L362 HydrophobicContact CG-CG 4.26Å
297	G	98.2	Very high	98.3	Very high	35 Å²	35	28.6 Å²	28.6	36%	0.361	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.4	4.5	175.4	0	0	0	0	0	115.9	R294 G295 H352	R294-G297 PolarHBondContact O-N 2.88Å; R294-G297 VanDerWaalsContact O-N 3.09Å; G295-G297 VanDerWaalsContact C-N 3.26Å; G295-G297 PolarHBondContact O-N 3.03Å; G297-H352 PolarHBondContact O-CE1 2.93Å; G297-H352 PolarHBondContact O-NE2 3.3Å
298	G	98.6	Very high	98.4	Very high	1 Å²	1	27 Å²	27	1%	0.01	16%	0.156	C	C	.	.			trans	-65	155.5	169.5	0	0	0	0	0	113.3	S293 R294 Q349	S293-G298 VanDerWaalsContact O-CA 3.24Å; S293-G298 WeakPolarHBondContact O-CA 3.47Å; S293-G298 PolarHBondContact O-N 2.89Å; R294-G298 WeakPolarHBondContact CA-O 3.49Å; G298-Q349 WeakPolarHBondContact CA-O 3.25Å
299	F	98.7	Very high	98.4	Very high	35 Å²	35	26 Å²	26	15%	0.154	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.7	179.5	56.9	-94.6	0	0	0	113.1	V301 R307 D318 Q349 H352	F299-V301 HydrophobicContact CD2-CG1 3.56Å; F299-V301 HydrophobicContact CE2-CG1 3.46Å; F299-V301 VanDerWaalsContact CE2-CG1 3.46Å; F299-R307 HydrophobicContact CB-CG 4.04Å; F299-R307 HydrophobicContact CD2-CB 4.26Å; F299-R307 HydrophobicContact CD2-CG 3.82Å; F299-R307 HydrophobicContact CG-CG 4.15Å; F299-D318 WeakPolarHBondContact CA-OD1 3.42Å; F299-D318 WeakPolarHBondContact CB-OD2 3.3Å; F299-Q349 HydrophobicContact CD2-CB 4.43Å; F299-Q349 HydrophobicContact CE2-CB 4.16Å; F299-Q349 HydrophobicContact CE2-CG 4.33Å; F299-Q349 HydrophobicContact CZ-CB 4.4Å; F299-Q349 HydrophobicContact CZ-CG 4.16Å; F299-Q349 PolarHBondContact N-O 3.47Å; F299-Q349 PolarHBondContact O-N 3.41Å; F299-H352 AromaticContact CD1-CE1 3.6Å; F299-H352 AromaticContact CD1-NE2 3.82Å; F299-H352 AromaticContact CE1-CE1 3.29Å; F299-H352 WeakPolarHBondContact CE1-CE1 3.07Å; F299-H352 AromaticContact CE1-ND1 3.63Å; F299-H352 AromaticContact CE1-NE2 3.55Å
300	L	98.9	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.8	-178.2	-60.9	169.9	0	0	0	111	T280 R307 F308 M309 D318 V325 M329 I346 Y347 L348 V384	T280-L300 HydrophobicContact CG2-CD2 3.91Å; L300-R307 WeakPolarHBondContact O-CA 3.44Å; L300-F308 HydrophobicContact CB-CE1 3.64Å; L300-F308 HydrophobicContact CB-CZ 3.54Å; L300-F308 HydrophobicContact CD1-CZ 4.07Å; L300-F308 HydrophobicContact CG-CZ 4.43Å; L300-M309 HydrophobicContact CD1-CG 4.2Å; L300-D318 PolarHBondContact N-OD1 3.23Å; L300-V325 HydrophobicContact CD1-CG1 3.46Å; L300-V325 VanDerWaalsContact CD1-CG1 3.46Å; L300-M329 HydrophobicContact CD1-CG 4.05Å; L300-M329 HydrophobicContact CD1-SD 3.79Å; L300-M329 HydrophobicContact CD2-CE 4.31Å; L300-I346 HydrophobicContact CB-CG2 4.17Å; L300-I346 HydrophobicContact CD2-CG2 4.32Å; L300-Y347 CarbonylContact C-O 3.52Å; L300-Y347 VanDerWaalsContact CA-O 3.29Å; L300-Y347 WeakPolarHBondContact CA-O 3.3Å; L300-L348 HydrophobicContact CD2-CB 4.18Å; L300-L348 HydrophobicContact CD2-CD1 4.13Å; L300-V384 HydrophobicContact CD2-CG2 4.04Å
301	V	98.7	Very high	98.4	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.7	178.2	-60.1	0	0	0	0	112.3	F299 E306 I346 Y347	F299-V301 HydrophobicContact CD2-CG1 3.56Å; F299-V301 HydrophobicContact CE2-CG1 3.46Å; F299-V301 VanDerWaalsContact CE2-CG1 3.46Å; V301-E306 WeakPolarHBondContact CA-O 3.49Å; V301-I346 WeakPolarHBondContact O-CG2 3.43Å; V301-Y347 VanDerWaalsContact CG2-CB 3.49Å; V301-Y347 HydrophobicContact CG2-CD2 4.48Å; V301-Y347 HydrophobicContact CG2-CG 4.49Å; V301-Y347 PolarHBondContact N-O 2.82Å; V301-Y347 PolarHBondContact O-N 2.48Å; V301-Y347 VanDerWaalsContact O-N 3.09Å
302	N	98.7	Very high	98.4	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.204	C	C	.	.			trans	-87.7	-177.6	176.5	72.3	12.7	0	0	0	111.2	K304 G305 E306 F308 E332 R337 I346	N302-K304 PolarHBondContact O-N 3.27Å; N302-K304 VanDerWaalsContact O-N 3.09Å; N302-K304 WeakPolarHBondContact OD1-CA 3.4Å; N302-K304 WeakPolarHBondContact OD1-CB 2.93Å; N302-K304 PolarHBondContact OD1-N 2.78Å; N302-G305 PolarHBondContact O-N 2.88Å; N302-G305 PolarHBondContact OD1-N 3.07Å; N302-E306 PolarHBondContact N-O 2.76Å; N302-E306 PolarHBondContact ND2-OE2 3.43Å; N302-E306 WeakPolarHBondContact OD1-CB 3.38Å; N302-E306 PolarHBondContact OD1-N 3.41Å; N302-E306 VanDerWaalsContact OD1-N 3.12Å; N302-F308 HydrophobicContact CB-CD1 3.93Å; N302-F308 HydrophobicContact CB-CE1 4.45Å; N302-E332 PolarHBondContact ND2-OE2 3.49Å; N302-R337 HydrophobicContact CB-CB 4.19Å; N302-R337 WeakPolarHBondContact CB-O 3.31Å; N302-I346 HydrophobicContact CB-CD1 4.15Å
303	S	98.4	Very high	98.4	Very high	59 Å²	59	38.8 Å²	38.8	41%	0.413	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-6	-179.8	51.5	0	0	0	0	115.7	R337 G338	S303-R337 PolarHBondContact N-O 3.5Å; S303-R337 VanDerWaalsContact OG-C 3.26Å; S303-R337 WeakPolarHBondContact OG-CA 3.3Å; S303-R337 PolarHBondContact OG-O 3.06Å; S303-G338 WeakPolarHBondContact CB-O 3.31Å; S303-G338 PolarHBondContact OG-O 2.76Å
304	K	97.7	Very high	98.3	Very high	157 Å²	157	42.5 Å²	42.5	68%	0.683	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	0.6	171.4	-58	-176.2	177.6	-178	0	112.7	N302 E306	N302-K304 PolarHBondContact O-N 3.27Å; N302-K304 VanDerWaalsContact O-N 3.09Å; N302-K304 WeakPolarHBondContact OD1-CA 3.4Å; N302-K304 WeakPolarHBondContact OD1-CB 2.93Å; N302-K304 PolarHBondContact OD1-N 2.78Å; K304-E306 PolarHBondContact O-N 2.62Å
305	G	97.2	Very high	98.1	Very high	58 Å²	58	48.4 Å²	48.4	60%	0.598	26%	0.26	S	S	*	.			trans	72.3	11	-171.2	0	0	0	0	0	113.7	N302	N302-G305 PolarHBondContact O-N 2.88Å; N302-G305 PolarHBondContact OD1-N 3.07Å
306	E	98.4	Very high	98	Very high	63 Å²	63	48.8 Å²	48.8	29%	0.294	26%	0.262	S	S	.	.			trans	-76.8	128.7	179.5	-177.2	-162.2	171.7	0	0	109.8	V301 N302 K304 F308 R311	V301-E306 WeakPolarHBondContact CA-O 3.49Å; N302-E306 PolarHBondContact N-O 2.76Å; N302-E306 PolarHBondContact ND2-OE2 3.43Å; N302-E306 WeakPolarHBondContact OD1-CB 3.38Å; N302-E306 PolarHBondContact OD1-N 3.41Å; N302-E306 VanDerWaalsContact OD1-N 3.12Å; K304-E306 PolarHBondContact O-N 2.62Å; E306-F308 HydrophobicContact CG-CB 4.29Å; E306-F308 PolarHBondContact O-N 3.44Å; E306-R311 IonicContact OE1-CZ 3.38Å; E306-R311 IonicContact OE1-NE 3.79Å; E306-R311 PolarHBondContact OE1-NE 2.99Å; E306-R311 IonicContact OE1-NH2 3.63Å; E306-R311 PolarHBondContact OE1-NH2 3.46Å; E306-R311 IonicContact OE2-NH2 3.72Å; E306-R311 PolarHBondContact OE2-NH2 3.18Å
307	R	98.4	Very high	98	Very high	77 Å²	77	50.7 Å²	50.7	29%	0.291	27%	0.27	S	S	.	.			trans	-73	70	164	-170.5	-175.5	175.7	-178.5	12.5	110.3	F299 L300 M309 E310 D318	F299-R307 HydrophobicContact CB-CG 4.04Å; F299-R307 HydrophobicContact CD2-CB 4.26Å; F299-R307 HydrophobicContact CD2-CG 3.82Å; F299-R307 HydrophobicContact CG-CG 4.15Å; L300-R307 WeakPolarHBondContact O-CA 3.44Å; R307-M309 PolarHBondContact O-N 2.89Å; R307-E310 HydrophobicContact CG-CG 4.19Å; R307-E310 IonicContact CZ-OE1 3.06Å; R307-E310 IonicContact NE-OE1 3.44Å; R307-E310 IonicContact NH1-OE1 2.92Å; R307-E310 PolarHBondContact NH1-OE1 2.97Å; R307-E310 PolarHBondContact O-N 3.24Å; R307-E310 VanDerWaalsContact O-N 3.1Å; R307-D318 IonicContact CZ-OD2 3.95Å; R307-D318 IonicContact NE-OD2 2.75Å; R307-D318 PolarHBondContact NE-OD2 2.87Å; R307-D318 IonicContact NH2-OD2 3.96Å; R307-D318 PolarHBondContact NH2-OD2 2.9Å
308	F	98.7	Very high	98	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.4	-166.2	61.7	-92	0	0	0	114.3	L300 N302 E306 E310 R311 Y312 A328 M329 E332 I346	L300-F308 HydrophobicContact CB-CE1 3.64Å; L300-F308 HydrophobicContact CB-CZ 3.54Å; L300-F308 HydrophobicContact CD1-CZ 4.07Å; L300-F308 HydrophobicContact CG-CZ 4.43Å; N302-F308 HydrophobicContact CB-CD1 3.93Å; N302-F308 HydrophobicContact CB-CE1 4.45Å; E306-F308 HydrophobicContact CG-CB 4.29Å; E306-F308 PolarHBondContact O-N 3.44Å; F308-E310 PolarHBondContact O-N 3.34Å; F308-R311 WeakPolarHBondContact O-CB 3.41Å; F308-R311 PolarHBondContact O-N 3.47Å; F308-Y312 HydrophobicContact CB-CD2 4.48Å; F308-Y312 HydrophobicContact CB-CE2 4.22Å; F308-Y312 AromaticContact CD2-CD2 3.82Å; F308-Y312 HydrophobicContact CD2-CD2 3.82Å; F308-Y312 AromaticContact CD2-CE2 3.8Å; F308-Y312 HydrophobicContact CD2-CE2 3.8Å; F308-Y312 HydrophobicContact CG-CE2 4.44Å; F308-Y312 VanDerWaalsContact O-CD2 3.23Å; F308-Y312 WeakPolarHBondContact O-CD2 3.26Å; F308-Y312 PolarHBondContact O-N 3.09Å; F308-A328 HydrophobicContact CD2-CB 4.48Å; F308-A328 HydrophobicContact CE2-CB 4.23Å; F308-M329 HydrophobicContact CE2-CG 4.13Å; F308-M329 HydrophobicContact CZ-CG 3.85Å; F308-E332 HydrophobicContact CB-CG 4.17Å; F308-E332 HydrophobicContact CD1-CG 4.1Å; F308-E332 HydrophobicContact CD2-CG 3.6Å; F308-E332 HydrophobicContact CE1-CG 4.44Å; F308-E332 HydrophobicContact CE2-CG 3.98Å; F308-E332 HydrophobicContact CG-CG 3.68Å; F308-E332 HydrophobicContact CZ-CG 4.38Å; F308-I346 HydrophobicContact CE1-CD1 4.32Å; F308-I346 HydrophobicContact CE1-CG2 3.6Å; F308-I346 HydrophobicContact CZ-CG2 3.85Å
309	M	98.7	Very high	98	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-21.8	177.5	-75.4	-54.9	-50.8	0	0	113.7	L300 R307 R311 Y312 A313 K317 A320 V325 A328	L300-M309 HydrophobicContact CD1-CG 4.2Å; R307-M309 PolarHBondContact O-N 2.89Å; M309-R311 PolarHBondContact O-N 2.89Å; M309-Y312 PolarHBondContact O-N 3.44Å; M309-A313 HydrophobicContact CE-CB 3.89Å; M309-A313 CarbonylContact O-C 3.56Å; M309-A313 PolarHBondContact O-N 2.8Å; M309-K317 VanDerWaalsContact CE-O 3.31Å; M309-K317 WeakPolarHBondContact CE-O 3.44Å; M309-A320 HydrophobicContact CE-CB 4.12Å; M309-V325 HydrophobicContact CE-CB 4.4Å; M309-V325 HydrophobicContact CE-CG2 3.87Å; M309-V325 HydrophobicContact SD-CB 4.4Å; M309-V325 HydrophobicContact SD-CG1 4.05Å; M309-V325 HydrophobicContact SD-CG2 4.43Å; M309-A328 HydrophobicContact CE-CB 4.48Å; M309-A328 HydrophobicContact SD-CB 3.57Å; M309-A328 VanDerWaalsContact SD-CB 3.57Å
310	E	98.4	Very high	97.9	Very high	94 Å²	94	48.5 Å²	48.5	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-28.5	171.5	-63.8	-172.1	153.9	0	0	112.5	R307 F308 P314 K317	R307-E310 HydrophobicContact CG-CG 4.19Å; R307-E310 IonicContact CZ-OE1 3.06Å; R307-E310 IonicContact NE-OE1 3.44Å; R307-E310 IonicContact NH1-OE1 2.92Å; R307-E310 PolarHBondContact NH1-OE1 2.97Å; R307-E310 PolarHBondContact O-N 3.24Å; R307-E310 VanDerWaalsContact O-N 3.1Å; F308-E310 PolarHBondContact O-N 3.34Å; E310-P314 WeakPolarHBondContact O-CA 3.28Å; E310-K317 HydrophobicContact CG-CD 3.87Å; E310-K317 HydrophobicContact CG-CG 4.07Å
311	R	98.3	Very high	97.9	Very high	116 Å²	116	48.6 Å²	48.6	44%	0.438	25%	0.251	S	S	.	.	H	α-helix	trans	-82.3	-38.8	176.5	177.3	165.1	49.2	77.5	-0.5	112.6	E306 F308 M309 E332	E306-R311 IonicContact OE1-CZ 3.38Å; E306-R311 IonicContact OE1-NE 3.79Å; E306-R311 PolarHBondContact OE1-NE 2.99Å; E306-R311 IonicContact OE1-NH2 3.63Å; E306-R311 PolarHBondContact OE1-NH2 3.46Å; E306-R311 IonicContact OE2-NH2 3.72Å; E306-R311 PolarHBondContact OE2-NH2 3.18Å; F308-R311 WeakPolarHBondContact O-CB 3.41Å; F308-R311 PolarHBondContact O-N 3.47Å; M309-R311 PolarHBondContact O-N 2.89Å; R311-E332 IonicContact CZ-OE1 2.8Å; R311-E332 IonicContact NH1-OE1 3.29Å; R311-E332 IonicContact NH2-OE1 3.48Å; R311-E332 PolarHBondContact NH2-OE1 3.29Å; R311-E332 IonicContact NH2-OE2 3.64Å
312	Y	98.1	Very high	97.9	Very high	63 Å²	63	48.7 Å²	48.7	25%	0.247	25%	0.251	C	S	.	.	H	α-helix	trans	-83.2	-32.2	-176.7	-68.9	-80.6	0	0	0	114.2	F308 M309 A328 I331 E332	F308-Y312 HydrophobicContact CB-CD2 4.48Å; F308-Y312 HydrophobicContact CB-CE2 4.22Å; F308-Y312 AromaticContact CD2-CD2 3.82Å; F308-Y312 HydrophobicContact CD2-CD2 3.82Å; F308-Y312 AromaticContact CD2-CE2 3.8Å; F308-Y312 HydrophobicContact CD2-CE2 3.8Å; F308-Y312 HydrophobicContact CG-CE2 4.44Å; F308-Y312 VanDerWaalsContact O-CD2 3.23Å; F308-Y312 WeakPolarHBondContact O-CD2 3.26Å; F308-Y312 PolarHBondContact O-N 3.09Å; M309-Y312 PolarHBondContact O-N 3.44Å; Y312-A328 HydrophobicContact CD1-CB 3.99Å; Y312-A328 HydrophobicContact CD2-CB 3.62Å; Y312-A328 HydrophobicContact CE1-CB 4.37Å; Y312-A328 HydrophobicContact CE2-CB 4.03Å; Y312-A328 HydrophobicContact CG-CB 3.59Å; Y312-I331 HydrophobicContact CE1-CD1 4.18Å; Y312-I331 HydrophobicContact CE1-CG2 4.4Å; Y312-I331 VanDerWaalsContact OH-CG2 3.28Å; Y312-I331 WeakPolarHBondContact OH-CG2 3.32Å; Y312-E332 HydrophobicContact CE2-CG 4.09Å; Y312-E332 VanDerWaalsContact CE2-OE1 3.22Å; Y312-E332 WeakPolarHBondContact CE2-OE1 3.42Å; Y312-E332 PolarHBondContact OH-OE1 3.29Å
313	A	98	Very high	97.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.			trans	-140.5	77.4	-179	0	0	0	0	0	110.4	M309 N315 A316 K317 A320 Y647	M309-A313 HydrophobicContact CE-CB 3.89Å; M309-A313 CarbonylContact O-C 3.56Å; M309-A313 PolarHBondContact O-N 2.8Å; A313-N315 VanDerWaalsContact C-N 3.28Å; A313-N315 PolarHBondContact O-N 3.46Å; A313-N315 VanDerWaalsContact O-N 3.12Å; A313-A316 PolarHBondContact O-N 2.84Å; A313-K317 WeakPolarHBondContact O-CA 3.44Å; A313-K317 PolarHBondContact O-N 3.05Å; A313-A320 HydrophobicContact CB-CB 3.63Å; A313-Y647 CarbonylContact C-O 3.57Å; A313-Y647 WeakPolarHBondContact CA-O 3.3Å; A313-Y647 VanDerWaalsContact CB-O 3.32Å; A313-Y647 WeakPolarHBondContact CB-O 3.39Å
314	P	96.2	Very high	97.9	Very high	78 Å²	78	47.5 Å²	47.5	51%	0.506	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.6	-167.5	-28.3	36.1	0	0	0	115.4	E310 K317	E310-P314 WeakPolarHBondContact O-CA 3.28Å; P314-K317 PolarHBondContact O-NZ 3.28Å
315	N	94.3	Very high	98	Very high	130 Å²	130	40 Å²	40	70%	0.695	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-57.8	-180	-38	-67	0	0	0	110.9	A313 Y647	A313-N315 VanDerWaalsContact C-N 3.28Å; A313-N315 PolarHBondContact O-N 3.46Å; A313-N315 VanDerWaalsContact O-N 3.12Å; N315-Y647 WeakPolarHBondContact CB-OXT 3.22Å; N315-Y647 PolarHBondContact N-OXT 3.14Å; N315-Y647 PolarHBondContact ND2-OXT 3.41Å; N315-Y647 VanDerWaalsContact ND2-OXT 3.16Å
316	A	96.5	Very high	98	Very high	23 Å²	23	37.3 Å²	37.3	19%	0.19	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.5	-173.8	0	0	0	0	0	114.7	A313 D318 L319 A320 Y647	A313-A316 PolarHBondContact O-N 2.84Å; A316-D318 PolarHBondContact O-N 3.26Å; A316-L319 CarbonylContact O-C 3.1Å; A316-L319 WeakPolarHBondContact O-CA 3.33Å; A316-L319 WeakPolarHBondContact O-CB 3.28Å; A316-L319 PolarHBondContact O-N 2.7Å; A316-A320 HydrophobicContact CB-CB 4.13Å; A316-Y647 HydrophobicContact CB-CD1 4.34Å; A316-Y647 PolarHBondContact N-OXT 3.23Å
317	K	98.4	Very high	98	Very high	65 Å²	65	36.8 Å²	36.8	28%	0.283	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	49.8	-128.8	-176.8	-56.4	176.4	175.8	56.2	0	110.8	M309 E310 A313 P314 L319 A320	M309-K317 VanDerWaalsContact CE-O 3.31Å; M309-K317 WeakPolarHBondContact CE-O 3.44Å; E310-K317 HydrophobicContact CG-CD 3.87Å; E310-K317 HydrophobicContact CG-CG 4.07Å; A313-K317 WeakPolarHBondContact O-CA 3.44Å; A313-K317 PolarHBondContact O-N 3.05Å; P314-K317 PolarHBondContact O-NZ 3.28Å; K317-L319 PolarHBondContact O-N 3.32Å; K317-L319 VanDerWaalsContact O-N 3.14Å; K317-A320 WeakPolarHBondContact O-CB 3.29Å; K317-A320 PolarHBondContact O-N 3.09Å
318	D	98.5	Very high	98	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.011	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-62.2	-15.7	178	-54.1	-92.3	0	0	0	113.3	R294 F299 L300 R307 A316	R294-D318 HydrophobicContact CB-CB 4.38Å; R294-D318 WeakPolarHBondContact CD-O 3.35Å; R294-D318 HydrophobicContact CG-CB 4.17Å; R294-D318 PolarHBondContact NH1-O 2.71Å; F299-D318 WeakPolarHBondContact CA-OD1 3.42Å; F299-D318 WeakPolarHBondContact CB-OD2 3.3Å; L300-D318 PolarHBondContact N-OD1 3.23Å; R307-D318 IonicContact CZ-OD2 3.95Å; R307-D318 IonicContact NE-OD2 2.75Å; R307-D318 PolarHBondContact NE-OD2 2.87Å; R307-D318 IonicContact NH2-OD2 3.96Å; R307-D318 PolarHBondContact NH2-OD2 2.9Å; A316-D318 PolarHBondContact O-N 3.26Å
319	L	98.4	Very high	98	Very high	23 Å²	23	33.2 Å²	33.2	12%	0.12	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-97.1	19.4	174.6	-63.6	178.3	0	0	0	113	A154 G156 G157 Q167 R294 A316 K317	A154-L319 HydrophobicContact CB-CD1 4.02Å; G156-L319 CarbonylContact C-O 3.45Å; G156-L319 VanDerWaalsContact CA-O 3.28Å; G156-L319 WeakPolarHBondContact CA-O 3.3Å; G157-L319 PolarHBondContact N-O 2.91Å; Q167-L319 HydrophobicContact CG-CD1 4.24Å; R294-L319 HydrophobicContact CB-CD2 3.92Å; A316-L319 CarbonylContact O-C 3.1Å; A316-L319 WeakPolarHBondContact O-CA 3.33Å; A316-L319 WeakPolarHBondContact O-CB 3.28Å; A316-L319 PolarHBondContact O-N 2.7Å; K317-L319 PolarHBondContact O-N 3.32Å; K317-L319 VanDerWaalsContact O-N 3.14Å
320	A	98	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-61.2	169.1	163.5	0	0	0	0	0	111.8	M309 A313 A316 K317 V324 V325 Y647	M309-A320 HydrophobicContact CE-CB 4.12Å; A313-A320 HydrophobicContact CB-CB 3.63Å; A316-A320 HydrophobicContact CB-CB 4.13Å; K317-A320 WeakPolarHBondContact O-CB 3.29Å; K317-A320 PolarHBondContact O-N 3.09Å; A320-V324 HydrophobicContact CB-CB 4.4Å; A320-V324 HydrophobicContact CB-CG1 4.2Å; A320-V325 HydrophobicContact CB-CG2 3.91Å; A320-Y647 HydrophobicContact CB-CG 4.23Å
321	S	98.1	Very high	97.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.16	C	C	.	.			trans	-61.8	147.9	176.3	64.6	0	0	0	0	112	D323 V324 V325 R645 Y647	S321-D323 VanDerWaalsContact C-N 3.29Å; S321-D323 WeakPolarHBondContact CB-OD1 3.46Å; S321-D323 PolarHBondContact O-N 3.18Å; S321-D323 PolarHBondContact OG-OD1 2.8Å; S321-V324 WeakPolarHBondContact O-CB 3.44Å; S321-V324 PolarHBondContact O-N 2.83Å; S321-V324 WeakPolarHBondContact OG-CG2 3.42Å; S321-V325 WeakPolarHBondContact O-CG2 3.28Å; S321-V325 PolarHBondContact O-N 3.01Å; S321-R645 VanDerWaalsContact CB-NH2 3.29Å; S321-R645 PolarHBondContact OG-NH1 3.16Å; S321-R645 PolarHBondContact OG-NH2 3.37Å; S321-R645 VanDerWaalsContact OG-NH2 3.07Å; S321-Y647 VanDerWaalsContact OG-CE2 3.29Å; S321-Y647 WeakPolarHBondContact OG-CE2 3.16Å
322	R	98.7	Very high	98	Very high	11 Å²	11	26.2 Å²	26.2	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-54.6	-41.6	-174.6	-70.9	172.7	173.9	-162	-10.9	113.5	Q276 H278 P279 E291 V324 V325 S326 H389 R434	Q276-R322 HydrophobicContact CG-CB 4.45Å; Q276-R322 VanDerWaalsContact OE1-CD 3.23Å; H278-R322 PolarHBondContact CD2-NH2 2.97Å; H278-R322 PolarHBondContact NE2-NH2 2.91Å; P279-R322 HydrophobicContact CG-CB 4.37Å; P279-R322 HydrophobicContact CG-CG 4.39Å; E291-R322 IonicContact OE1-NE 3.98Å; E291-R322 VanDerWaalsContact OE2-CG 3.3Å; E291-R322 WeakPolarHBondContact OE2-CG 3.34Å; E291-R322 IonicContact OE2-NE 2.79Å; E291-R322 PolarHBondContact OE2-NE 3.23Å; R322-V324 VanDerWaalsContact C-N 3.31Å; R322-V324 PolarHBondContact O-N 3.34Å; R322-V325 PolarHBondContact O-N 2.87Å; R322-S326 VanDerWaalsContact O-CB 3.26Å; R322-S326 WeakPolarHBondContact O-CB 3.09Å; R322-S326 PolarHBondContact O-N 3.27Å; R322-S326 PolarHBondContact O-OG 3.15Å; R322-S326 VanDerWaalsContact O-OG 3.11Å; R322-H389 PolarHBondContact NH1-CD2 2.79Å; R322-H389 PolarHBondContact NH1-NE2 2.85Å; R322-R434 VanDerWaalsContact NH1-NH2 3.19Å
323	D	98.5	Very high	97.9	Very high	7 Å²	7	25 Å²	25	4%	0.037	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-38.2	176.9	67.4	-62.2	0	0	0	112.9	S321 R327 N433 A574 R645	S321-D323 VanDerWaalsContact C-N 3.29Å; S321-D323 WeakPolarHBondContact CB-OD1 3.46Å; S321-D323 PolarHBondContact O-N 3.18Å; S321-D323 PolarHBondContact OG-OD1 2.8Å; D323-R327 WeakPolarHBondContact O-CB 3.25Å; D323-R327 WeakPolarHBondContact O-CG 3.22Å; D323-R327 VanDerWaalsContact O-CZ 3.23Å; D323-R327 PolarHBondContact O-N 2.78Å; D323-R327 VanDerWaalsContact O-N 3.16Å; D323-R327 PolarHBondContact O-NH1 3.41Å; D323-R327 IonicContact OD2-CZ 2.73Å; D323-R327 IonicContact OD2-NH1 3.45Å; D323-R327 PolarHBondContact OD2-NH1 2.83Å; D323-R327 IonicContact OD2-NH2 3.26Å; D323-R327 PolarHBondContact OD2-NH2 3.05Å; D323-N433 HydrophobicContact CB-CB 4.24Å; D323-N433 PolarHBondContact N-OD1 3.07Å; D323-N433 PolarHBondContact OD1-ND2 3.39Å; D323-N433 PolarHBondContact OD1-OD1 3.39Å; D323-A574 HydrophobicContact CB-CB 4.41Å; D323-R645 IonicContact OD1-CZ 3.38Å; D323-R645 IonicContact OD1-NH1 3.82Å; D323-R645 PolarHBondContact OD1-NH1 3.39Å; D323-R645 IonicContact OD1-NH2 2.69Å; D323-R645 PolarHBondContact OD1-NH2 3.46Å; D323-R645 IonicContact OD2-CZ 3.34Å; D323-R645 IonicContact OD2-NH1 3.37Å; D323-R645 PolarHBondContact OD2-NH1 2.92Å; D323-R645 IonicContact OD2-NH2 3.85Å
324	V	98.5	Very high	97.8	Very high	29 Å²	29	32.1 Å²	32.1	18%	0.176	16%	0.163	C	C	.	.	H	α-helix	trans	-71	-48.7	177.7	172.7	0	0	0	0	110.6	A320 S321 R322 S326 R327 A328 Y647	A320-V324 HydrophobicContact CB-CB 4.4Å; A320-V324 HydrophobicContact CB-CG1 4.2Å; S321-V324 WeakPolarHBondContact O-CB 3.44Å; S321-V324 PolarHBondContact O-N 2.83Å; S321-V324 WeakPolarHBondContact OG-CG2 3.42Å; R322-V324 VanDerWaalsContact C-N 3.31Å; R322-V324 PolarHBondContact O-N 3.34Å; V324-S326 PolarHBondContact O-N 2.8Å; V324-R327 PolarHBondContact O-N 2.81Å; V324-A328 WeakPolarHBondContact O-CB 3.39Å; V324-A328 PolarHBondContact O-N 2.95Å; V324-Y647 HydrophobicContact CG2-CD2 4.26Å
325	V	98.7	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-45.3	-179.8	-174.8	0	0	0	0	110.8	P279 L300 M309 A320 S321 R322 R327 A328 M329	P279-V325 HydrophobicContact CB-CB 4.17Å; P279-V325 HydrophobicContact CB-CG1 3.66Å; P279-V325 HydrophobicContact CG-CB 3.75Å; P279-V325 HydrophobicContact CG-CG1 3.81Å; L300-V325 HydrophobicContact CD1-CG1 3.46Å; L300-V325 VanDerWaalsContact CD1-CG1 3.46Å; M309-V325 HydrophobicContact CE-CB 4.4Å; M309-V325 HydrophobicContact CE-CG2 3.87Å; M309-V325 HydrophobicContact SD-CB 4.4Å; M309-V325 HydrophobicContact SD-CG1 4.05Å; M309-V325 HydrophobicContact SD-CG2 4.43Å; A320-V325 HydrophobicContact CB-CG2 3.91Å; S321-V325 WeakPolarHBondContact O-CG2 3.28Å; S321-V325 PolarHBondContact O-N 3.01Å; R322-V325 PolarHBondContact O-N 2.87Å; V325-R327 PolarHBondContact O-N 3.3Å; V325-A328 PolarHBondContact O-N 3.41Å; V325-M329 HydrophobicContact CG1-SD 4.23Å; V325-M329 WeakPolarHBondContact O-CG 3.48Å; V325-M329 PolarHBondContact O-N 3.46Å
326	S	98.6	Very high	98.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-39.1	178.6	-70	0	0	0	0	112.6	F277 P279 R322 V324 A330 P386	F277-S326 PolarHBondContact O-OG 2.91Å; P279-S326 WeakPolarHBondContact CA-OG 3.37Å; R322-S326 VanDerWaalsContact O-CB 3.26Å; R322-S326 WeakPolarHBondContact O-CB 3.09Å; R322-S326 PolarHBondContact O-N 3.27Å; R322-S326 PolarHBondContact O-OG 3.15Å; R322-S326 VanDerWaalsContact O-OG 3.11Å; V324-S326 PolarHBondContact O-N 2.8Å; S326-A330 WeakPolarHBondContact O-CB 3.32Å; S326-A330 PolarHBondContact O-N 2.75Å; S326-P386 WeakPolarHBondContact O-CG 3.22Å
327	R	98.5	Very high	98.2	Very high	52 Å²	52	29.8 Å²	29.8	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-43.9	172.8	-80.5	-169.9	-62.3	-85.8	0.8	112.4	D323 V324 V325 M329 A330 I331 V508 F509 G573	D323-R327 WeakPolarHBondContact O-CB 3.25Å; D323-R327 WeakPolarHBondContact O-CG 3.22Å; D323-R327 VanDerWaalsContact O-CZ 3.23Å; D323-R327 PolarHBondContact O-N 2.78Å; D323-R327 VanDerWaalsContact O-N 3.16Å; D323-R327 PolarHBondContact O-NH1 3.41Å; D323-R327 IonicContact OD2-CZ 2.73Å; D323-R327 IonicContact OD2-NH1 3.45Å; D323-R327 PolarHBondContact OD2-NH1 2.83Å; D323-R327 IonicContact OD2-NH2 3.26Å; D323-R327 PolarHBondContact OD2-NH2 3.05Å; V324-R327 PolarHBondContact O-N 2.81Å; V325-R327 PolarHBondContact O-N 3.3Å; R327-M329 PolarHBondContact O-N 3.12Å; R327-A330 PolarHBondContact O-N 2.88Å; R327-I331 VanDerWaalsContact O-CG1 3.31Å; R327-I331 WeakPolarHBondContact O-CG1 3.3Å; R327-I331 PolarHBondContact O-N 3.49Å; R327-V508 HydrophobicContact CG-CG1 3.81Å; R327-F509 HydrophobicContact CB-CE1 4.46Å; R327-F509 HydrophobicContact CB-CE2 4.34Å; R327-F509 HydrophobicContact CB-CZ 3.78Å; R327-F509 HydrophobicContact CG-CE1 3.97Å; R327-F509 HydrophobicContact CG-CE2 4.3Å; R327-F509 HydrophobicContact CG-CZ 3.71Å; R327-G573 PolarHBondContact NH1-O 2.88Å
328	A	98.5	Very high	98.2	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-47.9	177.9	0	0	0	0	0	111	F308 M309 Y312 V324 V325 A330 I331 E332	F308-A328 HydrophobicContact CD2-CB 4.48Å; F308-A328 HydrophobicContact CE2-CB 4.23Å; M309-A328 HydrophobicContact CE-CB 4.48Å; M309-A328 HydrophobicContact SD-CB 3.57Å; M309-A328 VanDerWaalsContact SD-CB 3.57Å; Y312-A328 HydrophobicContact CD1-CB 3.99Å; Y312-A328 HydrophobicContact CD2-CB 3.62Å; Y312-A328 HydrophobicContact CE1-CB 4.37Å; Y312-A328 HydrophobicContact CE2-CB 4.03Å; Y312-A328 HydrophobicContact CG-CB 3.59Å; V324-A328 WeakPolarHBondContact O-CB 3.39Å; V324-A328 PolarHBondContact O-N 2.95Å; V325-A328 PolarHBondContact O-N 3.41Å; A328-A330 PolarHBondContact O-N 3.3Å; A328-I331 PolarHBondContact O-N 3.11Å; A328-E332 WeakPolarHBondContact O-CG 3.49Å; A328-E332 PolarHBondContact O-N 3.32Å
329	M	98.7	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-45.7	174.8	-68.4	173.8	78	0	0	112.4	P279 L300 F308 V325 R327 I331 E332 I333 I346 V384 P386	P279-M329 HydrophobicContact CB-SD 3.78Å; P279-M329 WeakPolarHBondContact O-CE 3.41Å; L300-M329 HydrophobicContact CD1-CG 4.05Å; L300-M329 HydrophobicContact CD1-SD 3.79Å; L300-M329 HydrophobicContact CD2-CE 4.31Å; F308-M329 HydrophobicContact CE2-CG 4.13Å; F308-M329 HydrophobicContact CZ-CG 3.85Å; V325-M329 HydrophobicContact CG1-SD 4.23Å; V325-M329 WeakPolarHBondContact O-CG 3.48Å; V325-M329 PolarHBondContact O-N 3.46Å; R327-M329 PolarHBondContact O-N 3.12Å; M329-I331 VanDerWaalsContact C-N 3.31Å; M329-I331 PolarHBondContact O-N 2.9Å; M329-E332 PolarHBondContact O-N 3.26Å; M329-I333 WeakPolarHBondContact O-CG1 3.45Å; M329-I333 PolarHBondContact O-N 3.07Å; M329-I346 HydrophobicContact CB-CG1 4.38Å; M329-I346 HydrophobicContact CE-CB 3.82Å; M329-I346 HydrophobicContact CE-CG1 4.27Å; M329-I346 HydrophobicContact CE-CG2 4.12Å; M329-I346 HydrophobicContact CG-CG1 4.48Å; M329-V384 HydrophobicContact CE-CG2 4Å; M329-P386 HydrophobicContact CB-CG 3.83Å; M329-P386 HydrophobicContact CE-CG 4.48Å; M329-P386 HydrophobicContact SD-CG 4.14Å
330	A	97.5	Very high	98.1	Very high	17 Å²	17	27.2 Å²	27.2	14%	0.14	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-34.9	178.5	0	0	0	0	0	112.6	S326 R327 A328 R334 V508 F509	S326-A330 WeakPolarHBondContact O-CB 3.32Å; S326-A330 PolarHBondContact O-N 2.75Å; R327-A330 PolarHBondContact O-N 2.88Å; A328-A330 PolarHBondContact O-N 3.3Å; A330-R334 WeakPolarHBondContact O-CB 3.24Å; A330-R334 WeakPolarHBondContact O-CG 3.39Å; A330-R334 PolarHBondContact O-N 3.08Å; A330-V508 HydrophobicContact CB-CG1 4.21Å; A330-F509 HydrophobicContact CB-CD2 4.06Å; A330-F509 HydrophobicContact CB-CE2 3.78Å
331	I	97.8	Very high	98	Very high	45 Å²	45	33.5 Å²	33.5	23%	0.231	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-48.1	172.3	-68.2	163.9	0	0	0	110.4	Y312 R327 A328 M329 I333 R334 E335 F509	Y312-I331 HydrophobicContact CE1-CD1 4.18Å; Y312-I331 HydrophobicContact CE1-CG2 4.4Å; Y312-I331 VanDerWaalsContact OH-CG2 3.28Å; Y312-I331 WeakPolarHBondContact OH-CG2 3.32Å; R327-I331 VanDerWaalsContact O-CG1 3.31Å; R327-I331 WeakPolarHBondContact O-CG1 3.3Å; R327-I331 PolarHBondContact O-N 3.49Å; A328-I331 PolarHBondContact O-N 3.11Å; M329-I331 VanDerWaalsContact C-N 3.31Å; M329-I331 PolarHBondContact O-N 2.9Å; I331-I333 VanDerWaalsContact C-N 3.29Å; I331-I333 PolarHBondContact O-N 3.09Å; I331-R334 PolarHBondContact O-N 3.42Å; I331-E335 HydrophobicContact CG2-CG 4.15Å; I331-E335 WeakPolarHBondContact CG2-OE1 3.33Å; I331-E335 WeakPolarHBondContact O-CB 3.38Å; I331-E335 WeakPolarHBondContact O-CG 3.19Å; I331-E335 PolarHBondContact O-N 3.41Å; I331-F509 HydrophobicContact CD1-CE2 4.48Å; I331-F509 HydrophobicContact CD1-CZ 3.87Å; I331-F509 HydrophobicContact CG1-CE2 3.82Å; I331-F509 HydrophobicContact CG1-CZ 3.68Å
332	E	98.6	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.6	-44.7	178.1	-69.3	-60.4	113.9	0	0	112	N302 F308 R311 Y312 A328 M329 R337 G338 I346	N302-E332 PolarHBondContact ND2-OE2 3.49Å; F308-E332 HydrophobicContact CB-CG 4.17Å; F308-E332 HydrophobicContact CD1-CG 4.1Å; F308-E332 HydrophobicContact CD2-CG 3.6Å; F308-E332 HydrophobicContact CE1-CG 4.44Å; F308-E332 HydrophobicContact CE2-CG 3.98Å; F308-E332 HydrophobicContact CG-CG 3.68Å; F308-E332 HydrophobicContact CZ-CG 4.38Å; R311-E332 IonicContact CZ-OE1 2.8Å; R311-E332 IonicContact NH1-OE1 3.29Å; R311-E332 IonicContact NH2-OE1 3.48Å; R311-E332 PolarHBondContact NH2-OE1 3.29Å; R311-E332 IonicContact NH2-OE2 3.64Å; Y312-E332 HydrophobicContact CE2-CG 4.09Å; Y312-E332 VanDerWaalsContact CE2-OE1 3.22Å; Y312-E332 WeakPolarHBondContact CE2-OE1 3.42Å; Y312-E332 PolarHBondContact OH-OE1 3.29Å; A328-E332 WeakPolarHBondContact O-CG 3.49Å; A328-E332 PolarHBondContact O-N 3.32Å; M329-E332 PolarHBondContact O-N 3.26Å; E332-R337 CarbonylContact O-C 3.54Å; E332-R337 WeakPolarHBondContact O-CA 3.49Å; E332-R337 WeakPolarHBondContact O-CB 3.39Å; E332-R337 PolarHBondContact O-N 2.66Å; E332-R337 IonicContact OE1-CZ 3.42Å; E332-R337 IonicContact OE1-NE 3.71Å; E332-R337 PolarHBondContact OE1-NE 3.1Å; E332-R337 IonicContact OE1-NH2 2.7Å; E332-R337 PolarHBondContact OE1-NH2 3.3Å; E332-R337 IonicContact OE2-CZ 3.65Å; E332-R337 IonicContact OE2-NE 2.76Å; E332-R337 PolarHBondContact OE2-NE 3.19Å; E332-R337 IonicContact OE2-NH2 3.71Å; E332-G338 PolarHBondContact O-N 2.88Å; E332-I346 HydrophobicContact CB-CD1 3.94Å
333	I	97.8	Very high	97.8	Very high	37 Å²	37	44.1 Å²	44.1	19%	0.19	24%	0.235	C	C	.	.	I	π-helix	trans	-63.5	-52.4	176.6	-68.5	162.4	0	0	0	110.7	M329 I331 E335 G336 I346	M329-I333 WeakPolarHBondContact O-CG1 3.45Å; M329-I333 PolarHBondContact O-N 3.07Å; I331-I333 VanDerWaalsContact C-N 3.29Å; I331-I333 PolarHBondContact O-N 3.09Å; I333-E335 PolarHBondContact O-N 3.39Å; I333-G336 PolarHBondContact O-N 3.5Å; I333-I346 HydrophobicContact CD1-CG1 4.16Å; I333-I346 HydrophobicContact CG1-CD1 4.23Å; I333-I346 HydrophobicContact CG1-CG1 4.02Å
334	R	95.6	Very high	97.8	Very high	150 Å²	150	46 Å²	46	57%	0.566	25%	0.245	S	C	*	.	I	π-helix	trans	-59.7	-33.2	-179.6	-81.9	175.1	52.2	172.6	-9.2	113.4	A330 I331 G336 E578	A330-R334 WeakPolarHBondContact O-CB 3.24Å; A330-R334 WeakPolarHBondContact O-CG 3.39Å; A330-R334 PolarHBondContact O-N 3.08Å; I331-R334 PolarHBondContact O-N 3.42Å; R334-G336 PolarHBondContact O-N 3.41Å; R334-E578 IonicContact CZ-OE1 3.14Å; R334-E578 IonicContact CZ-OE2 3.52Å; R334-E578 VanDerWaalsContact NH1-CD 3.32Å; R334-E578 IonicContact NH1-OE1 2.65Å; R334-E578 PolarHBondContact NH1-OE1 3.48Å; R334-E578 IonicContact NH1-OE2 3.17Å; R334-E578 PolarHBondContact NH1-OE2 3.22Å; R334-E578 IonicContact NH2-OE1 2.74Å; R334-E578 PolarHBondContact NH2-OE1 2.95Å; R334-E578 IonicContact NH2-OE2 2.93Å
335	E	97.9	Very high	97.8	Very high	116 Å²	116	45 Å²	45	54%	0.542	24%	0.238	S	C	.	.	I	π-helix	trans	-88.6	19.8	178.3	-63.5	-175.3	-176.7	0	0	113	I331 I333 R337	I331-E335 HydrophobicContact CG2-CG 4.15Å; I331-E335 WeakPolarHBondContact CG2-OE1 3.33Å; I331-E335 WeakPolarHBondContact O-CB 3.38Å; I331-E335 WeakPolarHBondContact O-CG 3.19Å; I331-E335 PolarHBondContact O-N 3.41Å; I333-E335 PolarHBondContact O-N 3.39Å; E335-R337 VanDerWaalsContact C-N 3.31Å; E335-R337 PolarHBondContact O-N 2.92Å; E335-R337 IonicContact OE2-CZ 2.73Å; E335-R337 IonicContact OE2-NH1 3.61Å; E335-R337 PolarHBondContact OE2-NH1 3.3Å; E335-R337 IonicContact OE2-NH2 2.77Å; E335-R337 PolarHBondContact OE2-NH2 3.38Å
336	G	97.6	Very high	97.8	Very high	36 Å²	36	45 Å²	45	37%	0.371	24%	0.238	S	C	.	.	I	π-helix	trans	76.4	13.9	170.1	0	0	0	0	0	115.1	I333 R334 K343	I333-G336 PolarHBondContact O-N 3.5Å; R334-G336 PolarHBondContact O-N 3.41Å; G336-K343 PolarHBondContact O-NZ 2.84Å
337	R	98.5	Very high	97.8	Very high	31 Å²	31	48.5 Å²	48.5	12%	0.117	25%	0.252	C	S	.	.	I	π-helix	trans	-101.7	10.4	178.6	-58.9	-176.1	-64.6	-83.9	4.7	113.2	N302 S303 E332 E335	N302-R337 HydrophobicContact CB-CB 4.19Å; N302-R337 WeakPolarHBondContact CB-O 3.31Å; S303-R337 PolarHBondContact N-O 3.5Å; S303-R337 VanDerWaalsContact OG-C 3.26Å; S303-R337 WeakPolarHBondContact OG-CA 3.3Å; S303-R337 PolarHBondContact OG-O 3.06Å; E332-R337 CarbonylContact O-C 3.54Å; E332-R337 WeakPolarHBondContact O-CA 3.49Å; E332-R337 WeakPolarHBondContact O-CB 3.39Å; E332-R337 PolarHBondContact O-N 2.66Å; E332-R337 IonicContact OE1-CZ 3.42Å; E332-R337 IonicContact OE1-NE 3.71Å; E332-R337 PolarHBondContact OE1-NE 3.1Å; E332-R337 IonicContact OE1-NH2 2.7Å; E332-R337 PolarHBondContact OE1-NH2 3.3Å; E332-R337 IonicContact OE2-CZ 3.65Å; E332-R337 IonicContact OE2-NE 2.76Å; E332-R337 PolarHBondContact OE2-NE 3.19Å; E332-R337 IonicContact OE2-NH2 3.71Å; E335-R337 VanDerWaalsContact C-N 3.31Å; E335-R337 PolarHBondContact O-N 2.92Å; E335-R337 IonicContact OE2-CZ 2.73Å; E335-R337 IonicContact OE2-NH1 3.61Å; E335-R337 PolarHBondContact OE2-NH1 3.3Å; E335-R337 IonicContact OE2-NH2 2.77Å; E335-R337 PolarHBondContact OE2-NH2 3.38Å
338	G	98.3	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.			trans	-63.6	161.6	166.6	0	0	0	0	0	112.6	S303 E332 K343 H345	S303-G338 WeakPolarHBondContact CB-O 3.31Å; S303-G338 PolarHBondContact OG-O 2.76Å; E332-G338 PolarHBondContact O-N 2.88Å; G338-K343 WeakPolarHBondContact CA-O 3.32Å; G338-H345 CarbonylContact C-O 3.32Å; G338-H345 WeakPolarHBondContact CA-O 3.01Å
339	V	98.1	Very high	97.8	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.036	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-104.6	173.8	-179.4	-53.9	0	0	0	0	111.4	K343 D344 H345 Y347	V339-K343 VanDerWaalsContact O-CA 3.22Å; V339-K343 WeakPolarHBondContact O-CA 3.41Å; V339-K343 PolarHBondContact O-N 3.31Å; V339-D344 PolarHBondContact O-N 2.73Å; V339-H345 WeakPolarHBondContact CG2-CD2 3.22Å; V339-H345 WeakPolarHBondContact CG2-O 3.32Å; V339-H345 PolarHBondContact N-O 3.48Å; V339-H345 PolarHBondContact O-CE1 2.89Å; V339-H345 PolarHBondContact O-ND1 2.74Å; V339-Y347 HydrophobicContact CB-CD2 3.89Å; V339-Y347 HydrophobicContact CB-CE2 3.63Å; V339-Y347 HydrophobicContact CB-CG 4.49Å; V339-Y347 HydrophobicContact CG1-CD2 3.59Å; V339-Y347 HydrophobicContact CG1-CE2 3.78Å; V339-Y347 HydrophobicContact CG1-CG 4.3Å; V339-Y347 HydrophobicContact CG2-CD1 4.01Å; V339-Y347 HydrophobicContact CG2-CD2 3.81Å; V339-Y347 HydrophobicContact CG2-CE1 3.96Å; V339-Y347 HydrophobicContact CG2-CE2 3.75Å; V339-Y347 HydrophobicContact CG2-CG 3.92Å
340	G	96.4	Very high	97.8	Very high	30 Å²	30	47.9 Å²	47.9	31%	0.309	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	175.2	-176.8	0	0	0	0	0	114.3	L342 K343	G340-L342 PolarHBondContact O-N 2.8Å; G340-K343 PolarHBondContact O-N 2.94Å; G340-K343 VanDerWaalsContact O-N 3.14Å
341	P	96.2	Very high	97.8	Very high	132 Å²	132	50.2 Å²	50.2	86%	0.857	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.6	-173.3	24.5	-33.9	0	0	0	113.6
342	L	96.5	Very high	97.8	Very high	121 Å²	121	52 Å²	52	63%	0.634	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-4	178.7	-59.9	-178.3	0	0	0	113.5	G340 D344	G340-L342 PolarHBondContact O-N 2.8Å; L342-D344 HydrophobicContact CB-CB 4.15Å; L342-D344 WeakPolarHBondContact CB-OD2 3.07Å; L342-D344 PolarHBondContact O-N 3.35Å
343	K	97.6	Very high	97.8	Very high	113 Å²	113	53.1 Å²	53.1	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	38.7	-174.5	-63	-167.1	168.5	-167.5	0	114	G336 G338 V339 G340	G336-K343 PolarHBondContact O-NZ 2.84Å; G338-K343 WeakPolarHBondContact CA-O 3.32Å; V339-K343 VanDerWaalsContact O-CA 3.22Å; V339-K343 WeakPolarHBondContact O-CA 3.41Å; V339-K343 PolarHBondContact O-N 3.31Å; G340-K343 PolarHBondContact O-N 2.94Å; G340-K343 VanDerWaalsContact O-N 3.14Å
344	D	97.4	Very high	97.8	Very high	47 Å²	47	54.9 Å²	54.9	25%	0.251	29%	0.285	S	S	.	.			trans	-117.2	6.9	-166.5	64	-10.6	0	0	0	114.7	Y283 V339 L342	Y283-D344 WeakPolarHBondContact CE2-OD1 3.4Å; Y283-D344 WeakPolarHBondContact CE2-OD2 3.27Å; Y283-D344 PolarHBondContact OH-OD1 2.79Å; Y283-D344 PolarHBondContact OH-OD2 2.86Å; V339-D344 PolarHBondContact O-N 2.73Å; L342-D344 HydrophobicContact CB-CB 4.15Å; L342-D344 WeakPolarHBondContact CB-OD2 3.07Å; L342-D344 PolarHBondContact O-N 3.35Å
345	H	98.4	Very high	97.9	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.037	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-142.9	-177.2	175	58.1	-81.5	0	0	0	111.2	Y283 G338 V339 P383 V384 L385	Y283-H345 AromaticContact CD1-CE1 3.8Å; Y283-H345 AromaticContact CD1-ND1 3.79Å; Y283-H345 HydrophobicContact CD2-CB 3.65Å; Y283-H345 AromaticContact CD2-CG 3.8Å; Y283-H345 AromaticContact CD2-ND1 3.7Å; Y283-H345 AromaticContact CE1-CE1 3.84Å; Y283-H345 AromaticContact CE1-ND1 3.82Å; Y283-H345 HydrophobicContact CE2-CB 4.3Å; Y283-H345 AromaticContact CE2-ND1 3.74Å; Y283-H345 HydrophobicContact CG-CB 3.99Å; Y283-H345 AromaticContact CG-CG 3.76Å; Y283-H345 AromaticContact CG-ND1 3.74Å; Y283-H345 AromaticContact CZ-ND1 3.81Å; G338-H345 CarbonylContact C-O 3.32Å; G338-H345 WeakPolarHBondContact CA-O 3.01Å; V339-H345 WeakPolarHBondContact CG2-CD2 3.22Å; V339-H345 WeakPolarHBondContact CG2-O 3.32Å; V339-H345 PolarHBondContact N-O 3.48Å; V339-H345 PolarHBondContact O-CE1 2.89Å; V339-H345 PolarHBondContact O-ND1 2.74Å; H345-P383 WeakPolarHBondContact CD2-CB 3.34Å; H345-V384 WeakPolarHBondContact CB-O 3.38Å; H345-L385 HydrophobicContact CB-CB 4.31Å
346	I	98.6	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.8	-179.7	-68	-63.9	0	0	0	108.3	L300 V301 N302 F308 M329 E332 I333 V384	L300-I346 HydrophobicContact CB-CG2 4.17Å; L300-I346 HydrophobicContact CD2-CG2 4.32Å; V301-I346 WeakPolarHBondContact O-CG2 3.43Å; N302-I346 HydrophobicContact CB-CD1 4.15Å; F308-I346 HydrophobicContact CE1-CD1 4.32Å; F308-I346 HydrophobicContact CE1-CG2 3.6Å; F308-I346 HydrophobicContact CZ-CG2 3.85Å; M329-I346 HydrophobicContact CB-CG1 4.38Å; M329-I346 HydrophobicContact CE-CB 3.82Å; M329-I346 HydrophobicContact CE-CG1 4.27Å; M329-I346 HydrophobicContact CE-CG2 4.12Å; M329-I346 HydrophobicContact CG-CG1 4.48Å; E332-I346 HydrophobicContact CB-CD1 3.94Å; I333-I346 HydrophobicContact CD1-CG1 4.16Å; I333-I346 HydrophobicContact CG1-CD1 4.23Å; I333-I346 HydrophobicContact CG1-CG1 4.02Å; I346-V384 PolarHBondContact N-O 3.48Å; I346-V384 WeakPolarHBondContact O-CG2 3.37Å; I346-V384 PolarHBondContact O-N 3.22Å; I346-V384 VanDerWaalsContact O-O 3.05Å
347	Y	98.8	Very high	97.9	Very high	76 Å²	76	50.3 Å²	50.3	30%	0.298	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.2	174.3	-80.9	-42.6	0	0	0	111.8	L300 V301 V339 P381 P383	L300-Y347 CarbonylContact C-O 3.52Å; L300-Y347 VanDerWaalsContact CA-O 3.29Å; L300-Y347 WeakPolarHBondContact CA-O 3.3Å; V301-Y347 VanDerWaalsContact CG2-CB 3.49Å; V301-Y347 HydrophobicContact CG2-CD2 4.48Å; V301-Y347 HydrophobicContact CG2-CG 4.49Å; V301-Y347 PolarHBondContact N-O 2.82Å; V301-Y347 PolarHBondContact O-N 2.48Å; V301-Y347 VanDerWaalsContact O-N 3.09Å; V339-Y347 HydrophobicContact CB-CD2 3.89Å; V339-Y347 HydrophobicContact CB-CE2 3.63Å; V339-Y347 HydrophobicContact CB-CG 4.49Å; V339-Y347 HydrophobicContact CG1-CD2 3.59Å; V339-Y347 HydrophobicContact CG1-CE2 3.78Å; V339-Y347 HydrophobicContact CG1-CG 4.3Å; V339-Y347 HydrophobicContact CG2-CD1 4.01Å; V339-Y347 HydrophobicContact CG2-CD2 3.81Å; V339-Y347 HydrophobicContact CG2-CE1 3.96Å; V339-Y347 HydrophobicContact CG2-CE2 3.75Å; V339-Y347 HydrophobicContact CG2-CG 3.92Å; Y347-P381 HydrophobicContact CD1-CB 3.77Å; Y347-P381 HydrophobicContact CD1-CG 3.55Å; Y347-P381 HydrophobicContact CD2-CG 3.92Å; Y347-P381 HydrophobicContact CE1-CG 3.97Å; Y347-P381 HydrophobicContact CE2-CG 4.31Å; Y347-P381 HydrophobicContact CG-CB 3.75Å; Y347-P381 HydrophobicContact CG-CG 3.56Å; Y347-P383 HydrophobicContact CE1-CB 4.35Å
348	L	98.8	Very high	97.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.5	162.4	172.5	66.4	0	0	0	108.5	T280 I289 R294 L300 L350 P381 I382 V384	T280-L348 HydrophobicContact CG2-CD2 4.29Å; I289-L348 HydrophobicContact CG2-CD2 3.56Å; R294-L348 HydrophobicContact CG-CD1 3.98Å; L300-L348 HydrophobicContact CD2-CB 4.18Å; L300-L348 HydrophobicContact CD2-CD1 4.13Å; L348-L350 HydrophobicContact CD1-CD2 4.44Å; L348-L350 HydrophobicContact CG-CD2 4.36Å; L348-L350 HydrophobicContact CG-CG 4.41Å; L348-P381 CarbonylContact O-C 3.49Å; L348-P381 WeakPolarHBondContact O-CA 3.35Å; L348-I382 HydrophobicContact CB-CB 4.45Å; L348-I382 HydrophobicContact CD2-CD1 4.46Å; L348-I382 PolarHBondContact N-O 3.42Å; L348-I382 PolarHBondContact O-N 3.08Å; L348-V384 HydrophobicContact CB-CG1 4.06Å; L348-V384 HydrophobicContact CB-CG2 3.84Å
349	Q	98.7	Very high	97.8	Very high	40 Å²	40	54.4 Å²	54.4	19%	0.187	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.4	-177.3	-179.5	165.4	-36.5	0	0	111.5	G298 F299 H351 H352 P381	G298-Q349 WeakPolarHBondContact CA-O 3.25Å; F299-Q349 HydrophobicContact CD2-CB 4.43Å; F299-Q349 HydrophobicContact CE2-CB 4.16Å; F299-Q349 HydrophobicContact CE2-CG 4.33Å; F299-Q349 HydrophobicContact CZ-CB 4.4Å; F299-Q349 HydrophobicContact CZ-CG 4.16Å; F299-Q349 PolarHBondContact N-O 3.47Å; F299-Q349 PolarHBondContact O-N 3.41Å; Q349-H351 VanDerWaalsContact CG-CE1 3.43Å; Q349-H351 WeakPolarHBondContact CG-CE1 3.02Å; Q349-H351 PolarHBondContact NE2-NE2 3.37Å; Q349-H351 VanDerWaalsContact NE2-NE2 3.16Å; Q349-H352 PolarHBondContact O-CE1 2.89Å; Q349-P381 HydrophobicContact CB-CB 4.44Å
350	L	98.5	Very high	97.8	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.315	C	S	.	.			trans	-128.7	-16.8	177.9	-57	177.7	0	0	0	113.7	L348 H352 L353 I358 I365 C377 I382	L348-L350 HydrophobicContact CD1-CD2 4.44Å; L348-L350 HydrophobicContact CG-CD2 4.36Å; L348-L350 HydrophobicContact CG-CG 4.41Å; L350-H352 PolarHBondContact O-N 2.92Å; L350-L353 HydrophobicContact CD2-CD1 4.33Å; L350-L353 VanDerWaalsContact O-CB 3.26Å; L350-L353 WeakPolarHBondContact O-CB 3.23Å; L350-L353 WeakPolarHBondContact O-CG 3.12Å; L350-L353 PolarHBondContact O-N 3.1Å; L350-I358 HydrophobicContact CB-CD1 4.29Å; L350-I365 HydrophobicContact CD1-CD1 3.74Å; L350-C377 HydrophobicContact CD1-CB 4.25Å; L350-I382 HydrophobicContact CD1-CD1 3.86Å
351	H	97.5	Very high	97.9	Very high	66 Å²	66	59.2 Å²	59.2	31%	0.306	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.7	-170.9	59.1	-112.4	0	0	0	115.2	Q349 L353 C377 T378 K379	Q349-H351 VanDerWaalsContact CG-CE1 3.43Å; Q349-H351 WeakPolarHBondContact CG-CE1 3.02Å; Q349-H351 PolarHBondContact NE2-NE2 3.37Å; Q349-H351 VanDerWaalsContact NE2-NE2 3.16Å; H351-L353 VanDerWaalsContact C-N 3.35Å; H351-C377 PolarHBondContact N-O 3.29Å; H351-T378 WeakPolarHBondContact CB-O 3.46Å; H351-K379 PolarHBondContact ND1-O 3.49Å
352	H	98.2	Very high	98	Very high	82 Å²	82	53 Å²	53	38%	0.38	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-17.7	168.5	62.2	-74.7	0	0	0	112.8	G297 F299 Q349 L350	G297-H352 PolarHBondContact O-CE1 2.93Å; G297-H352 PolarHBondContact O-NE2 3.3Å; F299-H352 AromaticContact CD1-CE1 3.6Å; F299-H352 AromaticContact CD1-NE2 3.82Å; F299-H352 AromaticContact CE1-CE1 3.29Å; F299-H352 WeakPolarHBondContact CE1-CE1 3.07Å; F299-H352 AromaticContact CE1-ND1 3.63Å; F299-H352 AromaticContact CE1-NE2 3.55Å; Q349-H352 PolarHBondContact O-CE1 2.89Å; L350-H352 PolarHBondContact O-N 2.92Å
353	L	98.2	Very high	98.1	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.12	24%	0.244	C	C	.	.	S	Bend	trans	-76.8	145.7	174.9	-58.3	178.3	0	0	0	109.9	E296 L350 H351 A355 L357 I358	E296-L353 HydrophobicContact CB-CD1 4.48Å; E296-L353 WeakPolarHBondContact O-CD2 3.27Å; L350-L353 HydrophobicContact CD2-CD1 4.33Å; L350-L353 VanDerWaalsContact O-CB 3.26Å; L350-L353 WeakPolarHBondContact O-CB 3.23Å; L350-L353 WeakPolarHBondContact O-CG 3.12Å; L350-L353 PolarHBondContact O-N 3.1Å; H351-L353 VanDerWaalsContact C-N 3.35Å; L353-A355 PolarHBondContact O-N 2.94Å; L353-L357 HydrophobicContact CB-CD2 4.43Å; L353-L357 HydrophobicContact CD2-CD2 4.45Å; L353-I358 HydrophobicContact CB-CD1 4.28Å; L353-I358 HydrophobicContact CB-CG1 4.15Å
354	P	98.2	Very high	98.1	Very high	74 Å²	74	43.7 Å²	43.7	48%	0.481	23%	0.226	S	C	.	.			trans	-55.7	132.4	172.9	-26.4	36.2	0	0	0	111.8	N356 L357 I358	P354-N356 WeakPolarHBondContact CB-OD1 3.19Å; P354-N356 PolarHBondContact O-N 2.9Å; P354-L357 HydrophobicContact CB-CB 4.3Å; P354-L357 WeakPolarHBondContact O-CA 3.35Å; P354-L357 VanDerWaalsContact O-CB 3.28Å; P354-L357 WeakPolarHBondContact O-CB 3.37Å; P354-L357 PolarHBondContact O-N 3.25Å; P354-I358 PolarHBondContact O-N 2.87Å
355	A	97.7	Very high	98.1	Very high	45 Å²	45	41.4 Å²	41.4	37%	0.372	21%	0.214	S	C	.	.	H	α-helix	trans	-57.5	-35.8	-177.4	0	0	0	0	0	113	L353 L357 I358 H359 T378	L353-A355 PolarHBondContact O-N 2.94Å; A355-L357 VanDerWaalsContact C-N 3.32Å; A355-L357 PolarHBondContact O-N 2.69Å; A355-I358 PolarHBondContact O-N 2.61Å; A355-H359 PolarHBondContact O-CD2 2.86Å; A355-H359 PolarHBondContact O-N 2.68Å; A355-T378 HydrophobicContact CB-CG2 4.07Å
356	N	97.6	Very high	98.1	Very high	116 Å²	116	41.8 Å²	41.8	62%	0.62	22%	0.218	S	C	*	.	H	α-helix	trans	-62.1	-36.8	174.5	64.5	-34.2	0	0	0	112.6	P354 H359 E360	P354-N356 WeakPolarHBondContact CB-OD1 3.19Å; P354-N356 PolarHBondContact O-N 2.9Å; N356-H359 PolarHBondContact O-N 3.07Å; N356-E360 VanDerWaalsContact O-CB 3.31Å; N356-E360 WeakPolarHBondContact O-CB 3.18Å; N356-E360 PolarHBondContact O-N 2.69Å
357	L	97.4	Very high	98	Very high	46 Å²	46	47.1 Å²	47.1	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-43.5	174.5	-175.7	72.5	0	0	0	110.7	L353 P354 A355 E360 R361	L353-L357 HydrophobicContact CB-CD2 4.43Å; L353-L357 HydrophobicContact CD2-CD2 4.45Å; P354-L357 HydrophobicContact CB-CB 4.3Å; P354-L357 WeakPolarHBondContact O-CA 3.35Å; P354-L357 VanDerWaalsContact O-CB 3.28Å; P354-L357 WeakPolarHBondContact O-CB 3.37Å; P354-L357 PolarHBondContact O-N 3.25Å; A355-L357 VanDerWaalsContact C-N 3.32Å; A355-L357 PolarHBondContact O-N 2.69Å; L357-E360 PolarHBondContact O-N 3.05Å; L357-R361 HydrophobicContact CD1-CG 3.61Å; L357-R361 HydrophobicContact CG-CG 4.19Å; L357-R361 WeakPolarHBondContact O-CB 3.4Å; L357-R361 WeakPolarHBondContact O-CG 3.44Å; L357-R361 PolarHBondContact O-N 3.33Å
358	I	98.1	Very high	98	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-48.9	176.8	-63.4	174.2	0	0	0	110.1	L350 L353 P354 A355 E360 L362 A366 T378	L350-I358 HydrophobicContact CB-CD1 4.29Å; L353-I358 HydrophobicContact CB-CD1 4.28Å; L353-I358 HydrophobicContact CB-CG1 4.15Å; P354-I358 PolarHBondContact O-N 2.87Å; A355-I358 PolarHBondContact O-N 2.61Å; I358-E360 VanDerWaalsContact C-N 3.32Å; I358-E360 PolarHBondContact O-N 3.38Å; I358-L362 HydrophobicContact CG2-CB 4.46Å; I358-L362 CarbonylContact O-C 3.49Å; I358-L362 VanDerWaalsContact O-CA 3.24Å; I358-L362 WeakPolarHBondContact O-CA 3.47Å; I358-L362 WeakPolarHBondContact O-CB 3.26Å; I358-L362 PolarHBondContact O-N 3.23Å; I358-A366 HydrophobicContact CG2-CB 4.29Å; I358-T378 HydrophobicContact CD1-CG2 4.13Å
359	H	97.4	Very high	98	Very high	115 Å²	115	44.8 Å²	44.8	53%	0.532	24%	0.237	S	C	.	.	H	α-helix	trans	-67.2	-29.6	180	-66.1	-52.3	0	0	0	113.7	A355 N356 P363	A355-H359 PolarHBondContact O-CD2 2.86Å; A355-H359 PolarHBondContact O-N 2.68Å; N356-H359 PolarHBondContact O-N 3.07Å; H359-P363 WeakPolarHBondContact O-CB 3.35Å
360	E	97.4	Very high	97.9	Very high	105 Å²	105	48.2 Å²	48.2	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-79.4	-48.8	176.6	-173.5	-171.7	161.5	0	0	112.3	N356 L357 I358	N356-E360 VanDerWaalsContact O-CB 3.31Å; N356-E360 WeakPolarHBondContact O-CB 3.18Å; N356-E360 PolarHBondContact O-N 2.69Å; L357-E360 PolarHBondContact O-N 3.05Å; I358-E360 VanDerWaalsContact C-N 3.32Å; I358-E360 PolarHBondContact O-N 3.38Å
361	R	97.9	Very high	97.9	Very high	32 Å²	32	52.2 Å²	52.2	12%	0.121	28%	0.277	C	S	.	.	H	α-helix	trans	-94.7	-27.9	-168.7	-59.2	-63.7	176.8	-161.2	-12	114.1	R153 A175 D176 E296 L357	R153-R361 PolarHBondContact NH1-O 3.47Å; R153-R361 PolarHBondContact NH2-O 2.87Å; A175-R361 CarbonylContact C-O 3.22Å; D176-R361 PolarHBondContact N-O 2.73Å; E296-R361 HydrophobicContact CG-CB 4.12Å; L357-R361 HydrophobicContact CD1-CG 3.61Å; L357-R361 HydrophobicContact CG-CG 4.19Å; L357-R361 WeakPolarHBondContact O-CB 3.4Å; L357-R361 WeakPolarHBondContact O-CG 3.44Å; L357-R361 PolarHBondContact O-N 3.33Å
362	L	98.4	Very high	97.9	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	29%	0.285	C	S	.	.			trans	-131.2	39.7	-171.6	-56.8	175	0	0	0	113.7	D176 T290 E296 I358 G364 I365 A366	D176-L362 HydrophobicContact CB-CD2 4.4Å; D176-L362 VanDerWaalsContact OD2-CA 3.31Å; D176-L362 WeakPolarHBondContact OD2-CA 3.41Å; T290-L362 HydrophobicContact CG2-CD2 3.86Å; E296-L362 HydrophobicContact CB-CD1 4.32Å; E296-L362 HydrophobicContact CG-CD1 4.3Å; E296-L362 HydrophobicContact CG-CD2 4.2Å; E296-L362 HydrophobicContact CG-CG 4.26Å; I358-L362 HydrophobicContact CG2-CB 4.46Å; I358-L362 CarbonylContact O-C 3.49Å; I358-L362 VanDerWaalsContact O-CA 3.24Å; I358-L362 WeakPolarHBondContact O-CA 3.47Å; I358-L362 WeakPolarHBondContact O-CB 3.26Å; I358-L362 PolarHBondContact O-N 3.23Å; L362-G364 VanDerWaalsContact C-N 3.35Å; L362-G364 PolarHBondContact O-N 3.49Å; L362-I365 HydrophobicContact CB-CD1 3.95Å; L362-I365 HydrophobicContact CB-CG1 3.71Å; L362-I365 HydrophobicContact CD1-CD1 4.46Å; L362-I365 HydrophobicContact CD2-CG1 4.44Å; L362-I365 WeakPolarHBondContact O-CG1 3.27Å; L362-A366 WeakPolarHBondContact O-CB 3.4Å; L362-A366 PolarHBondContact O-N 3.1Å
363	P	98.4	Very high	97.9	Very high	28 Å²	28	52 Å²	52	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-32.7	-176.9	26.9	-35.1	0	0	0	113.9	A175 D176 H359 E367	A175-P363 HydrophobicContact CB-CG 3.95Å; D176-P363 VanDerWaalsContact OD1-CD 3.25Å; D176-P363 WeakPolarHBondContact OD1-CD 3.28Å; H359-P363 WeakPolarHBondContact O-CB 3.35Å; P363-E367 PolarHBondContact O-N 2.9Å
364	G	97.8	Very high	97.9	Very high	10 Å²	10	54 Å²	54	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-68.8	-44.5	-179.1	0	0	0	0	0	113	D176 L362 T368	D176-G364 VanDerWaalsContact CG-N 3.26Å; D176-G364 WeakPolarHBondContact OD1-CA 3.39Å; D176-G364 PolarHBondContact OD1-N 3.27Å; D176-G364 VanDerWaalsContact OD2-CA 3.31Å; D176-G364 WeakPolarHBondContact OD2-CA 3.41Å; D176-G364 PolarHBondContact OD2-N 2.64Å; L362-G364 VanDerWaalsContact C-N 3.35Å; L362-G364 PolarHBondContact O-N 3.49Å; G364-T368 WeakPolarHBondContact O-CB 3.29Å; G364-T368 PolarHBondContact O-N 3.42Å; G364-T368 PolarHBondContact O-OG1 3.4Å
365	I	97.6	Very high	97.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-73.4	-29.4	177.1	65.2	90.6	0	0	0	111.9	Q86 D176 I289 T290 L350 L362 E367 T368 A369 I382	Q86-I365 VanDerWaalsContact OE1-CG2 3.23Å; D176-I365 PolarHBondContact OD2-N 2.83Å; I289-I365 HydrophobicContact CD1-CB 3.99Å; I289-I365 HydrophobicContact CD1-CG2 4.24Å; I289-I365 HydrophobicContact CG2-CB 4.2Å; I289-I365 HydrophobicContact CG2-CG2 4.16Å; T290-I365 HydrophobicContact CG2-CG2 3.78Å; L350-I365 HydrophobicContact CD1-CD1 3.74Å; L362-I365 HydrophobicContact CB-CD1 3.95Å; L362-I365 HydrophobicContact CB-CG1 3.71Å; L362-I365 HydrophobicContact CD1-CD1 4.46Å; L362-I365 HydrophobicContact CD2-CG1 4.44Å; L362-I365 WeakPolarHBondContact O-CG1 3.27Å; I365-E367 VanDerWaalsContact C-N 3.34Å; I365-T368 PolarHBondContact O-N 3.3Å; I365-A369 VanDerWaalsContact O-CB 3.24Å; I365-A369 WeakPolarHBondContact O-CB 3.33Å; I365-A369 PolarHBondContact O-N 3.3Å; I365-I382 HydrophobicContact CD1-CD1 4.23Å
366	A	98	Very high	97.9	Very high	16 Å²	16	51.8 Å²	51.8	13%	0.132	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-46.7	174.9	0	0	0	0	0	110.6	I358 L362 H370	I358-A366 HydrophobicContact CG2-CB 4.29Å; L362-A366 WeakPolarHBondContact O-CB 3.4Å; L362-A366 PolarHBondContact O-N 3.1Å; A366-H370 PolarHBondContact O-N 3.35Å
367	E	98.3	Very high	97.9	Very high	111 Å²	111	46.4 Å²	46.4	52%	0.519	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-46.8	172.8	-176.8	64.5	-167.4	0	0	111.7	P363 I365 A369 H370 V371	P363-E367 PolarHBondContact O-N 2.9Å; I365-E367 VanDerWaalsContact C-N 3.34Å; E367-A369 PolarHBondContact O-N 3.41Å; E367-H370 WeakPolarHBondContact O-CB 3.44Å; E367-H370 PolarHBondContact O-N 3.1Å; E367-V371 HydrophobicContact CG-CG2 4.39Å; E367-V371 WeakPolarHBondContact O-CG2 3.44Å; E367-V371 PolarHBondContact O-N 3.46Å
368	T	98.1	Very high	98	Very high	27 Å²	27	45.9 Å²	45.9	17%	0.166	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-42.2	-177.9	-57.3	0	0	0	0	111.8	C287 I289 G364 I365 H370 V371 F372	C287-T368 HydrophobicContact CB-CG2 3.93Å; I289-T368 HydrophobicContact CD1-CG2 4.23Å; G364-T368 WeakPolarHBondContact O-CB 3.29Å; G364-T368 PolarHBondContact O-N 3.42Å; G364-T368 PolarHBondContact O-OG1 3.4Å; I365-T368 PolarHBondContact O-N 3.3Å; T368-H370 VanDerWaalsContact C-N 3.34Å; T368-V371 PolarHBondContact O-N 2.85Å; T368-F372 HydrophobicContact CG2-CD2 3.79Å; T368-F372 HydrophobicContact CG2-CE2 4.34Å; T368-F372 WeakPolarHBondContact O-CB 3.33Å; T368-F372 WeakPolarHBondContact O-CD2 3.31Å; T368-F372 PolarHBondContact O-N 2.91Å
369	A	98.1	Very high	98	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-40.3	177	0	0	0	0	0	111.7	I365 E367 A373 G374 V375 I382	I365-A369 VanDerWaalsContact O-CB 3.24Å; I365-A369 WeakPolarHBondContact O-CB 3.33Å; I365-A369 PolarHBondContact O-N 3.3Å; E367-A369 PolarHBondContact O-N 3.41Å; A369-A373 CarbonylContact O-C 3.41Å; A369-A373 WeakPolarHBondContact O-CA 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.28Å; A369-A373 PolarHBondContact O-N 2.92Å; A369-G374 PolarHBondContact O-N 3.27Å; A369-V375 CarbonylContact C-O 3.54Å; A369-V375 HydrophobicContact CB-CB 4.44Å; A369-V375 PolarHBondContact O-N 3.45Å; A369-V375 VanDerWaalsContact O-N 3.14Å; A369-I382 HydrophobicContact CB-CD1 3.82Å; A369-I382 HydrophobicContact CB-CG1 3.92Å; A369-I382 HydrophobicContact CB-CG2 4.26Å
370	H	98	Very high	98	Very high	113 Å²	113	52.6 Å²	52.6	52%	0.523	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-51.8	175.8	-177	68.3	0	0	0	111.4	A366 E367 T368 G374 V375	A366-H370 PolarHBondContact O-N 3.35Å; E367-H370 WeakPolarHBondContact O-CB 3.44Å; E367-H370 PolarHBondContact O-N 3.1Å; T368-H370 VanDerWaalsContact C-N 3.34Å; H370-G374 WeakPolarHBondContact O-CA 3Å; H370-G374 PolarHBondContact O-N 3.29Å; H370-V375 WeakPolarHBondContact CA-O 3.33Å; H370-V375 PolarHBondContact N-O 3.16Å
371	V	98.2	Very high	98.1	Very high	84 Å²	84	48.4 Å²	48.4	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-45.9	-176.1	172.4	0	0	0	0	112.6	E367 T368	E367-V371 HydrophobicContact CG-CG2 4.39Å; E367-V371 WeakPolarHBondContact O-CG2 3.44Å; E367-V371 PolarHBondContact O-N 3.46Å; T368-V371 PolarHBondContact O-N 2.85Å
372	F	97.7	Very high	98.1	Very high	109 Å²	109	46.9 Å²	46.9	48%	0.478	26%	0.26	S	S	.	.	H	α-helix	trans	-99.6	-13.6	-168.3	-67.3	-77.7	0	0	0	114.6	I282 A285 T368	I282-F372 HydrophobicContact CD1-CB 3.88Å; I282-F372 HydrophobicContact CG2-CB 4.43Å; A285-F372 HydrophobicContact CB-CB 4.13Å; A285-F372 HydrophobicContact CB-CD1 3.95Å; A285-F372 HydrophobicContact CB-CG 4.34Å; T368-F372 HydrophobicContact CG2-CD2 3.79Å; T368-F372 HydrophobicContact CG2-CE2 4.34Å; T368-F372 WeakPolarHBondContact O-CB 3.33Å; T368-F372 WeakPolarHBondContact O-CD2 3.31Å; T368-F372 PolarHBondContact O-N 2.91Å
373	A	97.5	Very high	98.1	Very high	36 Å²	36	47.6 Å²	47.6	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-130	-1.3	175.8	0	0	0	0	0	114.2	I282 A369 V375 P383	I282-A373 HydrophobicContact CD1-CB 3.53Å; I282-A373 HydrophobicContact CG1-CB 4.04Å; A369-A373 CarbonylContact O-C 3.41Å; A369-A373 WeakPolarHBondContact O-CA 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.28Å; A369-A373 PolarHBondContact O-N 2.92Å; A373-V375 HydrophobicContact CB-CB 4.43Å; A373-V375 HydrophobicContact CB-CG2 3.97Å; A373-V375 PolarHBondContact O-N 2.73Å; A373-P383 HydrophobicContact CB-CG 3.95Å
374	G	98	Very high	98.1	Very high	63 Å²	63	46.2 Å²	46.2	65%	0.649	26%	0.257	S	S	*	.			trans	65.9	21.2	-175.8	0	0	0	0	0	113.4	A369 H370	A369-G374 PolarHBondContact O-N 3.27Å; H370-G374 WeakPolarHBondContact O-CA 3Å; H370-G374 PolarHBondContact O-N 3.29Å
375	V	98	Very high	98.1	Very high	17 Å²	17	47.5 Å²	47.5	10%	0.103	26%	0.261	C	S	.	.			trans	-102.2	123.1	-172.3	170.9	0	0	0	0	111.1	A369 H370 A373 C377 E380 I382	A369-V375 CarbonylContact C-O 3.54Å; A369-V375 HydrophobicContact CB-CB 4.44Å; A369-V375 PolarHBondContact O-N 3.45Å; A369-V375 VanDerWaalsContact O-N 3.14Å; H370-V375 WeakPolarHBondContact CA-O 3.33Å; H370-V375 PolarHBondContact N-O 3.16Å; A373-V375 HydrophobicContact CB-CB 4.43Å; A373-V375 HydrophobicContact CB-CG2 3.97Å; A373-V375 PolarHBondContact O-N 2.73Å; V375-C377 PolarHBondContact O-N 2.95Å; V375-E380 HydrophobicContact CG1-CB 4.2Å; V375-I382 HydrophobicContact CG1-CG1 4.11Å
376	D	98.3	Very high	98.2	Very high	57 Å²	57	48.4 Å²	48.4	31%	0.305	27%	0.267	S	S	.	.			trans	-83.4	101.8	160.4	-179.7	-7.4	0	0	0	108.8	T378 K379 E380	D376-T378 VanDerWaalsContact CG-OG1 3.3Å; D376-T378 PolarHBondContact O-N 3.11Å; D376-T378 WeakPolarHBondContact OD1-CB 3.12Å; D376-T378 PolarHBondContact OD1-N 3.01Å; D376-T378 PolarHBondContact OD1-OG1 3.41Å; D376-T378 PolarHBondContact OD2-OG1 2.82Å; D376-K379 PolarHBondContact O-N 3.33Å; D376-K379 WeakPolarHBondContact OD2-CD 3.35Å; D376-K379 WeakPolarHBondContact OD2-CE 3.45Å; D376-K379 IonicContact OD2-NZ 3.64Å; D376-K379 PolarHBondContact OD2-NZ 2.96Å; D376-E380 PolarHBondContact O-N 3.31Å
377	C	97.7	Very high	98.2	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.7	-175.8	67.1	0	0	0	0	114.8	L350 H351 V375 K379 E380 I382	L350-C377 HydrophobicContact CD1-CB 4.25Å; H351-C377 PolarHBondContact N-O 3.29Å; V375-C377 PolarHBondContact O-N 2.95Å; C377-K379 VanDerWaalsContact C-N 3.3Å; C377-E380 WeakPolarHBondContact CA-O 3.11Å; C377-I382 HydrophobicContact CB-CD1 3.99Å; C377-I382 HydrophobicContact CB-CG1 4.04Å
378	T	98.2	Very high	98.2	Very high	35 Å²	35	42.4 Å²	42.4	22%	0.215	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.1	170.3	72.8	0	0	0	0	112.9	H351 A355 I358 D376	H351-T378 WeakPolarHBondContact CB-O 3.46Å; A355-T378 HydrophobicContact CB-CG2 4.07Å; I358-T378 HydrophobicContact CD1-CG2 4.13Å; D376-T378 VanDerWaalsContact CG-OG1 3.3Å; D376-T378 PolarHBondContact O-N 3.11Å; D376-T378 WeakPolarHBondContact OD1-CB 3.12Å; D376-T378 PolarHBondContact OD1-N 3.01Å; D376-T378 PolarHBondContact OD1-OG1 3.41Å; D376-T378 PolarHBondContact OD2-OG1 2.82Å
379	K	98.4	Very high	98.3	Very high	138 Å²	138	42.2 Å²	42.2	60%	0.6	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127	-41.5	-176.5	-62.5	175.1	-172	134.6	0	112.8	H351 D376 C377	H351-K379 PolarHBondContact ND1-O 3.49Å; D376-K379 PolarHBondContact O-N 3.33Å; D376-K379 WeakPolarHBondContact OD2-CD 3.35Å; D376-K379 WeakPolarHBondContact OD2-CE 3.45Å; D376-K379 IonicContact OD2-NZ 3.64Å; D376-K379 PolarHBondContact OD2-NZ 2.96Å; C377-K379 VanDerWaalsContact C-N 3.3Å
380	E	98.1	Very high	98.3	Very high	120 Å²	120	42.4 Å²	42.4	56%	0.561	23%	0.234	S	C	*	.	S	Bend	trans	-123.9	151.1	-171.4	-67.2	-67.6	131.9	0	0	110.9	V375 D376 C377	V375-E380 HydrophobicContact CG1-CB 4.2Å; D376-E380 PolarHBondContact O-N 3.31Å; C377-E380 WeakPolarHBondContact CA-O 3.11Å
381	P	98.5	Very high	98.3	Very high	16 Å²	16	37 Å²	37	10%	0.104	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-73	151.2	175	30.9	-34.5	0	0	0	112.5	Y347 L348 Q349	Y347-P381 HydrophobicContact CD1-CB 3.77Å; Y347-P381 HydrophobicContact CD1-CG 3.55Å; Y347-P381 HydrophobicContact CD2-CG 3.92Å; Y347-P381 HydrophobicContact CE1-CG 3.97Å; Y347-P381 HydrophobicContact CE2-CG 4.31Å; Y347-P381 HydrophobicContact CG-CB 3.75Å; Y347-P381 HydrophobicContact CG-CG 3.56Å; L348-P381 CarbonylContact O-C 3.49Å; L348-P381 WeakPolarHBondContact O-CA 3.35Å; Q349-P381 HydrophobicContact CB-CB 4.44Å
382	I	98.7	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.6	177.5	-51.7	170.2	0	0	0	109.2	I282 I289 L348 L350 I365 A369 V375 C377 V384	I282-I382 HydrophobicContact CD1-CG2 4.37Å; I282-I382 HydrophobicContact CG1-CG2 4.12Å; I289-I382 HydrophobicContact CD1-CD1 4.42Å; I289-I382 HydrophobicContact CD1-CG2 4.46Å; I289-I382 HydrophobicContact CG1-CG2 4.18Å; I289-I382 HydrophobicContact CG2-CD1 4.13Å; L348-I382 HydrophobicContact CB-CB 4.45Å; L348-I382 HydrophobicContact CD2-CD1 4.46Å; L348-I382 PolarHBondContact N-O 3.42Å; L348-I382 PolarHBondContact O-N 3.08Å; L350-I382 HydrophobicContact CD1-CD1 3.86Å; I365-I382 HydrophobicContact CD1-CD1 4.23Å; A369-I382 HydrophobicContact CB-CD1 3.82Å; A369-I382 HydrophobicContact CB-CG1 3.92Å; A369-I382 HydrophobicContact CB-CG2 4.26Å; V375-I382 HydrophobicContact CG1-CG1 4.11Å; C377-I382 HydrophobicContact CB-CD1 3.99Å; C377-I382 HydrophobicContact CB-CG1 4.04Å; I382-V384 HydrophobicContact CB-CG1 4.39Å; I382-V384 HydrophobicContact CG2-CG1 4.02Å; I382-V384 PolarHBondContact O-N 3.1Å
383	P	98.6	Very high	98.4	Very high	17 Å²	17	28 Å²	28	11%	0.11	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121.7	174.8	31.3	-35.5	0	0	0	110.2	Y283 H345 Y347 A373	Y283-P383 PolarHBondContact N-O 3.02Å; H345-P383 WeakPolarHBondContact CD2-CB 3.34Å; Y347-P383 HydrophobicContact CE1-CB 4.35Å; A373-P383 HydrophobicContact CB-CG 3.95Å
384	V	98.8	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.4	-172.3	-65.7	0	0	0	0	112.9	T280 G281 L300 M329 H345 I346 L348 I382	T280-V384 HydrophobicContact CG2-CB 4.25Å; T280-V384 HydrophobicContact CG2-CG1 4.37Å; T280-V384 HydrophobicContact CG2-CG2 4.04Å; G281-V384 CarbonylContact O-C 3.43Å; G281-V384 WeakPolarHBondContact O-CA 3.37Å; L300-V384 HydrophobicContact CD2-CG2 4.04Å; M329-V384 HydrophobicContact CE-CG2 4Å; H345-V384 WeakPolarHBondContact CB-O 3.38Å; I346-V384 PolarHBondContact N-O 3.48Å; I346-V384 WeakPolarHBondContact O-CG2 3.37Å; I346-V384 PolarHBondContact O-N 3.22Å; I346-V384 VanDerWaalsContact O-O 3.05Å; L348-V384 HydrophobicContact CB-CG1 4.06Å; L348-V384 HydrophobicContact CB-CG2 3.84Å; I382-V384 HydrophobicContact CB-CG1 4.39Å; I382-V384 HydrophobicContact CG2-CG1 4.02Å; I382-V384 PolarHBondContact O-N 3.1Å
385	L	98.2	Very high	98.5	Very high	37 Å²	37	23.4 Å²	23.4	19%	0.194	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.9	173.5	78.8	177.1	0	0	0	111.8	P279 G281 Y283 H345 T387	P279-L385 CarbonylContact O-C 3.57Å; G281-L385 PolarHBondContact N-O 3.32Å; G281-L385 WeakPolarHBondContact O-CD2 3.39Å; G281-L385 PolarHBondContact O-N 3.07Å; Y283-L385 HydrophobicContact CD2-CD1 4.2Å; Y283-L385 HydrophobicContact CD2-CD2 4.45Å; H345-L385 HydrophobicContact CB-CB 4.31Å; L385-T387 PolarHBondContact O-N 3.11Å; L385-T387 PolarHBondContact O-OG1 3.3Å
386	P	98.5	Very high	98.6	Very high	19 Å²	19	22.8 Å²	22.8	12%	0.123	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	121.5	171.7	-25.6	36.4	0	0	0	112	F277 H278 S326 M329 V508	F277-P386 HydrophobicContact CB-CB 4.16Å; H278-P386 VanDerWaalsContact O-CA 3.31Å; H278-P386 WeakPolarHBondContact O-CA 3.38Å; S326-P386 WeakPolarHBondContact O-CG 3.22Å; M329-P386 HydrophobicContact CB-CG 3.83Å; M329-P386 HydrophobicContact CE-CG 4.48Å; M329-P386 HydrophobicContact SD-CG 4.14Å; P386-V508 HydrophobicContact CB-CG2 4.12Å
387	T	98.7	Very high	98.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.3	-175.8	-57.7	0	0	0	0	110.5	T249 F277 H278 G281 L385 H389	T249-T387 HydrophobicContact CG2-CG2 3.86Å; F277-T387 CarbonylContact C-O 3.54Å; F277-T387 VanDerWaalsContact CA-O 3.27Å; F277-T387 WeakPolarHBondContact CA-O 3.42Å; H278-T387 PolarHBondContact N-O 2.7Å; H278-T387 PolarHBondContact O-N 3.2Å; G281-T387 WeakPolarHBondContact CA-OG1 3.43Å; L385-T387 PolarHBondContact O-N 3.11Å; L385-T387 PolarHBondContact O-OG1 3.3Å; T387-H389 PolarHBondContact O-N 2.73Å
388	V	98.8	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	131.2	177.7	172.2	0	0	0	0	110	Y245 C248 T249 V275 F277	Y245-V388 HydrophobicContact CD1-CG2 3.68Å; Y245-V388 HydrophobicContact CD2-CB 4.47Å; Y245-V388 HydrophobicContact CD2-CG1 3.94Å; Y245-V388 HydrophobicContact CD2-CG2 3.98Å; Y245-V388 HydrophobicContact CE1-CG2 4.12Å; Y245-V388 HydrophobicContact CE2-CG1 4.5Å; Y245-V388 HydrophobicContact CE2-CG2 4.4Å; Y245-V388 HydrophobicContact CG-CB 4.29Å; Y245-V388 HydrophobicContact CG-CG1 4.24Å; Y245-V388 HydrophobicContact CG-CG2 3.59Å; C248-V388 CarbonylContact C-O 3.48Å; C248-V388 WeakPolarHBondContact CA-O 3.3Å; C248-V388 HydrophobicContact CB-CB 3.97Å; C248-V388 HydrophobicContact CB-CG1 4.17Å; C248-V388 WeakPolarHBondContact CB-O 3.19Å; T249-V388 PolarHBondContact N-O 3.25Å; V275-V388 HydrophobicContact CG1-CG1 3.75Å; V275-V388 HydrophobicContact CG1-CG2 4.28Å; F277-V388 HydrophobicContact CD1-CG2 3.76Å; F277-V388 HydrophobicContact CE1-CG2 3.29Å; F277-V388 HydrophobicContact CZ-CG2 3.78Å
389	H	98.8	Very high	98.6	Very high	22 Å²	22	21.8 Å²	21.8	10%	0.102	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	-44.3	-166.3	175.5	63.2	0	0	0	114.5	T249 Q276 H278 R322 T387 R434	T249-H389 HydrophobicContact CG2-CB 4.39Å; T249-H389 PolarHBondContact OG1-ND1 2.95Å; Q276-H389 PolarHBondContact O-N 3.16Å; H278-H389 HydrophobicContact CB-CB 3.57Å; H278-H389 AromaticContact CD2-CD2 3.91Å; H278-H389 AromaticContact CD2-NE2 3.95Å; R322-H389 PolarHBondContact NH1-CD2 2.79Å; R322-H389 PolarHBondContact NH1-NE2 2.85Å; T387-H389 PolarHBondContact O-N 2.73Å; H389-R434 PolarHBondContact CD2-NH2 3.45Å; H389-R434 PolarHBondContact NE2-NH2 2.88Å
390	Y	98.8	Very high	98.6	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.016	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.1	-171.3	-177.2	-91.2	0	0	0	111.6	Q276 M392 E423 H430 R434 S439	Q276-Y390 PolarHBondContact N-O 3.25Å; Q276-Y390 PolarHBondContact O-N 3.45Å; Y390-M392 HydrophobicContact CD1-CG 4.36Å; Y390-M392 HydrophobicContact CD1-SD 3.81Å; Y390-M392 HydrophobicContact CE1-CG 4.37Å; Y390-M392 HydrophobicContact CE1-SD 4.41Å; Y390-E423 VanDerWaalsContact CA-OE1 3.29Å; Y390-E423 WeakPolarHBondContact CA-OE1 3.11Å; Y390-E423 HydrophobicContact CD2-CB 4.46Å; Y390-E423 HydrophobicContact CD2-CG 3.81Å; Y390-E423 WeakPolarHBondContact CD2-OE1 3.28Å; Y390-E423 HydrophobicContact CE2-CB 3.71Å; Y390-E423 VanDerWaalsContact CE2-CD 3.49Å; Y390-E423 HydrophobicContact CE2-CG 3.44Å; Y390-E423 VanDerWaalsContact CE2-CG 3.44Å; Y390-H430 AromaticContact CE1-CD2 3.98Å; Y390-H430 PolarHBondContact OH-CD2 2.92Å; Y390-H430 PolarHBondContact OH-NE2 3.17Å; Y390-R434 VanDerWaalsContact CB-NH2 3.29Å; Y390-R434 HydrophobicContact CD1-CB 4.25Å; Y390-R434 VanDerWaalsContact CD2-NE 3.35Å; Y390-R434 HydrophobicContact CE1-CB 4.29Å; Y390-R434 HydrophobicContact CE1-CG 4.49Å; Y390-R434 VanDerWaalsContact CE1-NE 3.33Å; Y390-R434 VanDerWaalsContact CG-NH2 3.31Å; Y390-S439 WeakPolarHBondContact CE2-OG 3.44Å
391	N	98.9	Very high	98.6	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.2	175.7	-61.2	105.3	0	0	0	110.3	Y241 G242 E423	Y241-N391 HydrophobicContact CD1-CB 4Å; Y241-N391 VanDerWaalsContact CD1-CG 3.44Å; Y241-N391 HydrophobicContact CE1-CB 3.63Å; Y241-N391 WeakPolarHBondContact CE1-ND2 3.29Å; Y241-N391 VanDerWaalsContact CE2-ND2 3.3Å; Y241-N391 WeakPolarHBondContact CE2-ND2 3.4Å; Y241-N391 PolarHBondContact N-OD1 3.08Å; Y241-N391 PolarHBondContact OH-ND2 3.09Å; G242-N391 PolarHBondContact N-OD1 3.11Å; N391-E423 HydrophobicContact CB-CG 4.42Å; N391-E423 PolarHBondContact N-OE1 3.02Å
392	M	98.9	Very high	98.7	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.015	6%	0.062	C	C	.	.	S	Bend	trans	-77.2	-34.2	174.7	-79.8	75.3	73.5	0	0	111.9	F274 Q276 Y390 H430 G431 R434 A574	F274-M392 HydrophobicContact CB-CB 3.98Å; F274-M392 HydrophobicContact CB-CE 3.89Å; F274-M392 WeakPolarHBondContact O-CE 3.42Å; F274-M392 PolarHBondContact O-N 3.49Å; F274-M392 VanDerWaalsContact O-N 3.11Å; Q276-M392 HydrophobicContact CB-CE 3.8Å; Q276-M392 HydrophobicContact CB-SD 3.53Å; Q276-M392 VanDerWaalsContact CB-SD 3.53Å; Y390-M392 HydrophobicContact CD1-CG 4.36Å; Y390-M392 HydrophobicContact CD1-SD 3.81Å; Y390-M392 HydrophobicContact CE1-CG 4.37Å; Y390-M392 HydrophobicContact CE1-SD 4.41Å; M392-H430 HydrophobicContact CG-CB 3.89Å; M392-G431 VanDerWaalsContact CB-O 3.29Å; M392-G431 WeakPolarHBondContact CB-O 3.16Å; M392-G431 WeakPolarHBondContact CG-O 3.49Å; M392-R434 HydrophobicContact CG-CB 4.28Å; M392-R434 HydrophobicContact SD-CB 4.22Å; M392-A574 HydrophobicContact CE-CB 3.74Å
393	G	98.8	Very high	98.7	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.01	6%	0.062	C	C	.	.			trans	-75.1	164.1	171.7	0	0	0	0	0	113.2	S270 D271	S270-G393 CarbonylContact O-C 3.53Å; S270-G393 WeakPolarHBondContact O-CA 3.29Å; D271-G393 VanDerWaalsContact O-CA 3.29Å; D271-G393 WeakPolarHBondContact O-CA 3.42Å; D271-G393 PolarHBondContact O-N 2.88Å
394	G	98.9	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	165.8	-156.1	-176.2	0	0	0	0	0	111.5	N269 S270 P396 T424	N269-G394 CarbonylContact C-O 3.59Å; N269-G394 WeakPolarHBondContact CA-O 3.47Å; S270-G394 PolarHBondContact N-O 3.27Å; S270-G394 PolarHBondContact O-N 2.88Å; G394-P396 WeakPolarHBondContact O-CD 3.32Å; G394-T424 WeakPolarHBondContact CA-O 3.47Å
395	I	98.9	Very high	98.6	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.5	179.5	-57	162.9	0	0	0	108.6	L236 T259 V262 T397 A403 A420 T424 A425 A426	L236-I395 HydrophobicContact CB-CD1 4.07Å; L236-I395 HydrophobicContact CD1-CD1 3.58Å; L236-I395 HydrophobicContact CG-CD1 4.47Å; T259-I395 HydrophobicContact CG2-CG1 4.18Å; V262-I395 HydrophobicContact CB-CD1 4.4Å; V262-I395 HydrophobicContact CB-CG1 4.15Å; V262-I395 HydrophobicContact CG1-CG1 4.28Å; V262-I395 HydrophobicContact CG1-CG2 4.39Å; V262-I395 HydrophobicContact CG2-CD1 3.54Å; V262-I395 HydrophobicContact CG2-CG1 3.73Å; V262-I395 HydrophobicContact CG2-CG2 4.23Å; I395-T397 PolarHBondContact O-N 3.21Å; I395-A403 HydrophobicContact CG2-CB 4.13Å; I395-A420 HydrophobicContact CB-CB 3.95Å; I395-A420 HydrophobicContact CD1-CB 3.91Å; I395-A420 HydrophobicContact CG2-CB 4.03Å; I395-T424 WeakPolarHBondContact CG1-O 3.29Å; I395-T424 PolarHBondContact N-O 2.98Å; I395-A425 CarbonylContact O-C 3.36Å; I395-A425 WeakPolarHBondContact O-CA 3.47Å; I395-A426 PolarHBondContact O-N 3.31Å
396	P	98.9	Very high	98.4	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.019	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.9	-179.5	25.3	-32.2	0	0	0	110.4	P268 G394 A403 L404 A426 L610	P268-P396 HydrophobicContact CG-CG 4.3Å; P268-P396 WeakPolarHBondContact O-CD 3.34Å; G394-P396 WeakPolarHBondContact O-CD 3.32Å; P396-A403 CarbonylContact O-C 3.16Å; P396-A403 WeakPolarHBondContact O-CA 3.41Å; P396-L404 HydrophobicContact CB-CB 4.35Å; P396-L404 PolarHBondContact O-N 3.38Å; P396-A426 WeakPolarHBondContact CA-O 3.18Å; P396-L610 HydrophobicContact CG-CD2 4.33Å
397	T	98.9	Very high	98.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-141.5	159.4	178.8	56.6	0	0	0	0	110.6	I395 Q402 A420 A425 A426 H427	I395-T397 PolarHBondContact O-N 3.21Å; T397-Q402 WeakPolarHBondContact CA-O 3.29Å; T397-Q402 VanDerWaalsContact CB-O 3.31Å; T397-Q402 WeakPolarHBondContact CB-O 3.3Å; T397-A420 HydrophobicContact CG2-CB 3.87Å; T397-A425 HydrophobicContact CG2-CB 4.29Å; T397-A426 PolarHBondContact N-O 2.86Å; T397-A426 VanDerWaalsContact N-O 3.13Å; T397-H427 VanDerWaalsContact OG1-CA 3.27Å; T397-H427 WeakPolarHBondContact OG1-CA 3.39Å; T397-H427 PolarHBondContact OG1-CE1 3.38Å; T397-H427 PolarHBondContact OG1-N 3.35Å; T397-H427 PolarHBondContact OG1-ND1 2.76Å
398	N	98.5	Very high	97.3	Very high	26 Å²	26	23.6 Å²	23.6	14%	0.139	12%	0.123	C	C	.	.			trans	-80.3	177.8	166.3	64.5	17.7	0	0	0	111.4	M400 A401 Q402 L404	N398-M400 PolarHBondContact O-N 3.1Å; N398-M400 VanDerWaalsContact O-N 3.09Å; N398-M400 WeakPolarHBondContact OD1-CA 3.47Å; N398-M400 WeakPolarHBondContact OD1-CB 3.4Å; N398-M400 PolarHBondContact OD1-N 3.21Å; N398-A401 PolarHBondContact O-N 3.07Å; N398-A401 PolarHBondContact OD1-N 3.18Å; N398-Q402 PolarHBondContact N-O 2.96Å; N398-Q402 VanDerWaalsContact N-O 3.11Å; N398-Q402 PolarHBondContact ND2-OE1 3.4Å; N398-Q402 PolarHBondContact OD1-N 2.99Å; N398-L404 HydrophobicContact CB-CD1 4.33Å; N398-L404 HydrophobicContact CB-CD2 4.33Å
399	H	97.9	Very high	96.5	Very high	45 Å²	45	28 Å²	28	21%	0.208	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.4	177.1	69.2	-96	0	0	0	114.3	D119 A120 A401	D119-H399 IonicContact OD2-CE1 3.3Å; D119-H399 IonicContact OD2-CG 2.73Å; D119-H399 IonicContact OD2-ND1 2.94Å; D119-H399 PolarHBondContact OD2-ND1 3.14Å; A120-H399 HydrophobicContact CB-CB 3.97Å; H399-A401 VanDerWaalsContact C-N 3.33Å
400	M	98	Very high	95.9	Very high	55 Å²	55	28.5 Å²	28.5	27%	0.271	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	9.4	172.3	-58.4	-173.1	-65.1	0	0	112.7	N398 Q402	N398-M400 PolarHBondContact O-N 3.1Å; N398-M400 VanDerWaalsContact O-N 3.09Å; N398-M400 WeakPolarHBondContact OD1-CA 3.47Å; N398-M400 WeakPolarHBondContact OD1-CB 3.4Å; N398-M400 PolarHBondContact OD1-N 3.21Å; M400-Q402 PolarHBondContact O-N 2.63Å
401	A	98.7	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.201	C	C	.	.			trans	65.2	14.1	179.2	0	0	0	0	0	115.8	N398 H399 Y419 A420 A449 C450	N398-A401 PolarHBondContact O-N 3.07Å; N398-A401 PolarHBondContact OD1-N 3.18Å; H399-A401 VanDerWaalsContact C-N 3.33Å; A401-Y419 VanDerWaalsContact O-CA 3.27Å; A401-Y419 WeakPolarHBondContact O-CA 3.48Å; A401-Y419 WeakPolarHBondContact O-CB 3.45Å; A401-Y419 VanDerWaalsContact O-CD1 3.31Å; A401-Y419 WeakPolarHBondContact O-CD1 3.46Å; A401-A420 PolarHBondContact O-N 2.85Å; A401-A420 VanDerWaalsContact O-N 3.07Å; A401-A449 HydrophobicContact CB-CB 4.45Å; A401-C450 WeakPolarHBondContact CB-SG 3.5Å
402	Q	98.8	Very high	95.4	Very high	11 Å²	11	32.5 Å²	32.5	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.9	172.5	-65.4	170.9	-39	0	0	109.6	T397 N398 M400 V414 Y419 E457	T397-Q402 WeakPolarHBondContact CA-O 3.29Å; T397-Q402 VanDerWaalsContact CB-O 3.31Å; T397-Q402 WeakPolarHBondContact CB-O 3.3Å; N398-Q402 PolarHBondContact N-O 2.96Å; N398-Q402 VanDerWaalsContact N-O 3.11Å; N398-Q402 PolarHBondContact ND2-OE1 3.4Å; N398-Q402 PolarHBondContact OD1-N 2.99Å; M400-Q402 PolarHBondContact O-N 2.63Å; Q402-V414 HydrophobicContact CB-CG1 3.96Å; Q402-V414 HydrophobicContact CB-CG2 4.17Å; Q402-V414 HydrophobicContact CG-CG1 4.43Å; Q402-Y419 HydrophobicContact CB-CD1 4.49Å; Q402-Y419 HydrophobicContact CB-CE1 4.24Å; Q402-Y419 HydrophobicContact CG-CD1 3.98Å; Q402-Y419 HydrophobicContact CG-CE1 3.29Å; Q402-Y419 PolarHBondContact NE2-OH 2.79Å; Q402-E457 VanDerWaalsContact NE2-CD 3.25Å; Q402-E457 PolarHBondContact NE2-OE1 3.46Å; Q402-E457 PolarHBondContact NE2-OE2 2.76Å
403	A	98.8	Very high	95.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	140.1	178.6	0	0	0	0	0	111.1	I395 P396 V414 V415 L418	I395-A403 HydrophobicContact CG2-CB 4.13Å; P396-A403 CarbonylContact O-C 3.16Å; P396-A403 WeakPolarHBondContact O-CA 3.41Å; A403-V414 CarbonylContact O-C 3.27Å; A403-V414 WeakPolarHBondContact O-CA 3.19Å; A403-V415 HydrophobicContact CB-CB 4.28Å; A403-V415 HydrophobicContact CB-CG2 4.49Å; A403-V415 PolarHBondContact O-N 3.33Å; A403-L418 HydrophobicContact CB-CB 4.04Å; A403-L418 HydrophobicContact CB-CD2 3.83Å; A403-L418 HydrophobicContact CB-CG 3.73Å; A403-L418 WeakPolarHBondContact CB-O 3.39Å; A403-L418 PolarHBondContact N-O 2.97Å
404	L	98.6	Very high	95.3	Very high	10 Å²	10	39 Å²	39	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.5	-178.6	-60.7	-179.2	0	0	0	111.7	P396 N398 D412 Q413 V414	P396-L404 HydrophobicContact CB-CB 4.35Å; P396-L404 PolarHBondContact O-N 3.38Å; N398-L404 HydrophobicContact CB-CD1 4.33Å; N398-L404 HydrophobicContact CB-CD2 4.33Å; L404-D412 HydrophobicContact CD1-CB 3.89Å; L404-D412 HydrophobicContact CD2-CB 4.24Å; L404-D412 HydrophobicContact CG-CB 4.46Å; L404-Q413 CarbonylContact C-O 3.25Å; L404-Q413 VanDerWaalsContact CA-O 3.32Å; L404-Q413 WeakPolarHBondContact CA-O 3.27Å; L404-V414 HydrophobicContact CD2-CG2 3.93Å
405	T	97.7	Very high	95.3	Very high	28 Å²	28	39.2 Å²	39.2	17%	0.172	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	175.9	163.1	-169.3	0	0	0	0	109.1	Q413 V415	T405-Q413 HydrophobicContact CG2-CB 3.97Å; T405-Q413 HydrophobicContact CG2-CG 4.41Å; T405-Q413 PolarHBondContact N-O 2.8Å; T405-Q413 PolarHBondContact O-N 3.36Å; T405-V415 HydrophobicContact CG2-CG2 3.99Å
406	K	93.9	Very high	95.2	Very high	52 Å²	52	42 Å²	42	23%	0.226	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.4	-179.1	-167.3	170.2	-179	168.5	0	111.2	L610 W612 D623 Y624	K406-L610 HydrophobicContact CB-CD1 4.37Å; K406-L610 HydrophobicContact CD-CD1 4.32Å; K406-W612 HydrophobicContact CB-CH2 4.31Å; K406-W612 HydrophobicContact CB-CZ2 4.33Å; K406-D623 VanDerWaalsContact CD-OD2 3.24Å; K406-D623 WeakPolarHBondContact CD-OD2 3.35Å; K406-D623 VanDerWaalsContact CE-OD2 3.32Å; K406-D623 WeakPolarHBondContact CE-OD2 3.47Å; K406-D623 IonicContact NZ-OD1 3.64Å; K406-D623 PolarHBondContact NZ-OD1 3.06Å; K406-D623 IonicContact NZ-OD2 3.48Å; K406-D623 PolarHBondContact NZ-OD2 2.75Å; K406-Y624 PolarHBondContact NZ-O 2.74Å; K406-Y624 VanDerWaalsContact NZ-O 3.1Å
407	K	91.3	Very high	95.2	Very high	102 Å²	102	42.1 Å²	42.1	44%	0.443	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-65.4	147.4	172.3	-70.1	177.4	173	139.6	0	110.8	G409 G410 G411 D412 Q413	K407-G409 PolarHBondContact O-N 3.29Å; K407-G409 VanDerWaalsContact O-N 3.11Å; K407-G410 PolarHBondContact O-N 2.79Å; K407-G411 PolarHBondContact N-O 2.74Å; K407-D412 WeakPolarHBondContact CE-O 3.16Å; K407-D412 PolarHBondContact NZ-O 3.25Å; K407-Q413 HydrophobicContact CG-CB 3.64Å; K407-Q413 HydrophobicContact CG-CG 4.4Å
408	P	83	Confident	95.2	Very high	128 Å²	128	42.1 Å²	42.1	83%	0.831	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	117.7	161.4	-21.6	32.9	0	0	0	109.8
409	G	81	Confident	95.2	Very high	92 Å²	92	41 Å²	41	95%	0.948	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-3.3	-176.2	0	0	0	0	0	115.9	K407	K407-G409 PolarHBondContact O-N 3.29Å; K407-G409 VanDerWaalsContact O-N 3.11Å
410	G	87	Confident	95.3	Very high	33 Å²	33	38.9 Å²	38.9	34%	0.34	25%	0.251	S	S	.	.	S	Bend	trans	104.9	161.1	174.6	0	0	0	0	0	114.9	K407	K407-G410 PolarHBondContact O-N 2.79Å
411	G	91.2	Very high	95.3	Very high	45 Å²	45	36.3 Å²	36.3	46%	0.464	24%	0.238	S	C	.	.	S	Bend	trans	85.9	166.9	-173.6	0	0	0	0	0	113.8	K407	K407-G411 PolarHBondContact N-O 2.74Å
412	D	96.6	Very high	95.3	Very high	44 Å²	44	36.3 Å²	36.3	24%	0.235	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.5	-173.8	-59.2	-30.2	0	0	0	112.3	L404 K407 R625	L404-D412 HydrophobicContact CD1-CB 3.89Å; L404-D412 HydrophobicContact CD2-CB 4.24Å; L404-D412 HydrophobicContact CG-CB 4.46Å; K407-D412 WeakPolarHBondContact CE-O 3.16Å; K407-D412 PolarHBondContact NZ-O 3.25Å; D412-R625 IonicContact OD1-CZ 2.8Å; D412-R625 IonicContact OD1-NE 3.31Å; D412-R625 PolarHBondContact OD1-NE 3.39Å; D412-R625 IonicContact OD1-NH2 2.88Å; D412-R625 IonicContact OD2-CZ 3.17Å; D412-R625 IonicContact OD2-NE 2.74Å; D412-R625 PolarHBondContact OD2-NE 2.9Å; D412-R625 IonicContact OD2-NH2 3.27Å; D412-R625 PolarHBondContact OD2-NH2 3.26Å
413	Q	97.1	Very high	95.3	Very high	87 Å²	87	37 Å²	37	41%	0.407	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.7	171.2	-174.3	168.6	23.8	0	0	109.4	L404 T405 K407	L404-Q413 CarbonylContact C-O 3.25Å; L404-Q413 VanDerWaalsContact CA-O 3.32Å; L404-Q413 WeakPolarHBondContact CA-O 3.27Å; T405-Q413 HydrophobicContact CG2-CB 3.97Å; T405-Q413 HydrophobicContact CG2-CG 4.41Å; T405-Q413 PolarHBondContact N-O 2.8Å; T405-Q413 PolarHBondContact O-N 3.36Å; K407-Q413 HydrophobicContact CG-CB 3.64Å; K407-Q413 HydrophobicContact CG-CG 4.4Å
414	V	98.1	Very high	95.3	Very high	54 Å²	54	37 Å²	37	33%	0.327	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.2	171.1	170.5	0	0	0	0	110.1	Q402 A403 L404 P416	Q402-V414 HydrophobicContact CB-CG1 3.96Å; Q402-V414 HydrophobicContact CB-CG2 4.17Å; Q402-V414 HydrophobicContact CG-CG1 4.43Å; A403-V414 CarbonylContact O-C 3.27Å; A403-V414 WeakPolarHBondContact O-CA 3.19Å; L404-V414 HydrophobicContact CD2-CG2 3.93Å; V414-P416 VanDerWaalsContact O-CD 3.3Å; V414-P416 WeakPolarHBondContact O-CD 3.49Å
415	V	98.5	Very high	95.3	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	109.2	168.8	-178.7	0	0	0	0	108	M208 L267 A403 T405 G417 L418	M208-V415 HydrophobicContact CE-CG1 4.18Å; L267-V415 HydrophobicContact CD1-CG1 4.03Å; L267-V415 HydrophobicContact CD1-CG2 4.22Å; L267-V415 HydrophobicContact CD2-CG2 3.86Å; A403-V415 HydrophobicContact CB-CB 4.28Å; A403-V415 HydrophobicContact CB-CG2 4.49Å; A403-V415 PolarHBondContact O-N 3.33Å; T405-V415 HydrophobicContact CG2-CG2 3.99Å; V415-G417 PolarHBondContact O-N 3.1Å; V415-L418 HydrophobicContact CB-CB 4.22Å; V415-L418 HydrophobicContact CG1-CB 3.88Å; V415-L418 HydrophobicContact CG1-CD2 4.09Å; V415-L418 PolarHBondContact O-N 3.11Å
416	P	97.9	Very high	95.4	Very high	59 Å²	59	35.4 Å²	35.4	38%	0.383	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	135.1	-173.9	-23.7	35.5	0	0	0	111.8	R212 C213 V414 L418	R212-P416 WeakPolarHBondContact CA-O 3.44Å; R212-P416 HydrophobicContact CB-CB 4.33Å; R212-P416 HydrophobicContact CG-CB 4.08Å; R212-P416 WeakPolarHBondContact CG-O 3.28Å; C213-P416 PolarHBondContact N-O 2.92Å; V414-P416 VanDerWaalsContact O-CD 3.3Å; V414-P416 WeakPolarHBondContact O-CD 3.49Å; P416-L418 VanDerWaalsContact C-N 3.27Å; P416-L418 PolarHBondContact O-N 2.93Å
417	G	98.1	Very high	95.6	Very high	7 Å²	7	33 Å²	33	7%	0.072	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.9	6.6	178.1	0	0	0	0	0	115.3	A232 N233 T234 V415	A232-G417 VanDerWaalsContact O-CA 3.25Å; A232-G417 WeakPolarHBondContact O-CA 3.46Å; N233-G417 WeakPolarHBondContact CA-O 3.44Å; T234-G417 PolarHBondContact N-O 3.36Å; V415-G417 PolarHBondContact O-N 3.1Å
418	L	98.9	Very high	95.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.7	178.5	-171.9	64	0	0	0	111.8	L206 C213 T234 L236 V262 L267 A403 V415 P416	L206-L418 HydrophobicContact CD1-CD1 4Å; L206-L418 HydrophobicContact CD1-CD2 3.87Å; L206-L418 HydrophobicContact CD2-CD1 4.13Å; C213-L418 HydrophobicContact CB-CB 3.86Å; C213-L418 HydrophobicContact CB-CD1 4.28Å; T234-L418 HydrophobicContact CG2-CD1 4.26Å; L236-L418 HydrophobicContact CD1-CD1 4.15Å; L236-L418 HydrophobicContact CG-CD1 4.16Å; V262-L418 HydrophobicContact CG2-CD2 4.4Å; L267-L418 HydrophobicContact CD1-CD2 3.77Å; A403-L418 HydrophobicContact CB-CB 4.04Å; A403-L418 HydrophobicContact CB-CD2 3.83Å; A403-L418 HydrophobicContact CB-CG 3.73Å; A403-L418 WeakPolarHBondContact CB-O 3.39Å; A403-L418 PolarHBondContact N-O 2.97Å; V415-L418 HydrophobicContact CB-CB 4.22Å; V415-L418 HydrophobicContact CG1-CB 3.88Å; V415-L418 HydrophobicContact CG1-CD2 4.09Å; V415-L418 PolarHBondContact O-N 3.11Å; P416-L418 VanDerWaalsContact C-N 3.27Å; P416-L418 PolarHBondContact O-N 2.93Å
419	Y	98.9	Very high	96.7	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.3	176.3	-72.3	-100.5	0	0	0	109.3	T234 I235 L236 A401 Q402 C450 S453 I454 E457	T234-Y419 PolarHBondContact O-N 3.24Å; I235-Y419 WeakPolarHBondContact CA-O 3.46Å; I235-Y419 HydrophobicContact CG1-CG 4.45Å; L236-Y419 PolarHBondContact N-O 2.88Å; A401-Y419 VanDerWaalsContact O-CA 3.27Å; A401-Y419 WeakPolarHBondContact O-CA 3.48Å; A401-Y419 WeakPolarHBondContact O-CB 3.45Å; A401-Y419 VanDerWaalsContact O-CD1 3.31Å; A401-Y419 WeakPolarHBondContact O-CD1 3.46Å; Q402-Y419 HydrophobicContact CB-CD1 4.49Å; Q402-Y419 HydrophobicContact CB-CE1 4.24Å; Q402-Y419 HydrophobicContact CG-CD1 3.98Å; Q402-Y419 HydrophobicContact CG-CE1 3.29Å; Q402-Y419 PolarHBondContact NE2-OH 2.79Å; Y419-C450 HydrophobicContact CD1-CB 4.39Å; Y419-S453 WeakPolarHBondContact CE1-OG 3.34Å; Y419-S453 PolarHBondContact OH-OG 3.35Å; Y419-S453 VanDerWaalsContact OH-OG 3.07Å; Y419-I454 HydrophobicContact CD2-CD1 4.12Å; Y419-I454 HydrophobicContact CD2-CG1 4.19Å; Y419-I454 HydrophobicContact CE1-CG1 4.27Å; Y419-I454 HydrophobicContact CE2-CD1 4.07Å; Y419-I454 HydrophobicContact CE2-CG1 3.63Å; Y419-E457 PolarHBondContact OH-OE2 3.1Å; Y419-E457 VanDerWaalsContact OH-OE2 3.08Å
420	A	98.9	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.6	170.9	0	0	0	0	0	110.4	L236 I395 T397 A401 T424 A425 H427	L236-A420 HydrophobicContact CB-CB 4.35Å; L236-A420 CarbonylContact O-C 3.47Å; L236-A420 VanDerWaalsContact O-CA 3.22Å; L236-A420 WeakPolarHBondContact O-CA 3.35Å; I395-A420 HydrophobicContact CB-CB 3.95Å; I395-A420 HydrophobicContact CD1-CB 3.91Å; I395-A420 HydrophobicContact CG2-CB 4.03Å; T397-A420 HydrophobicContact CG2-CB 3.87Å; A401-A420 PolarHBondContact O-N 2.85Å; A401-A420 VanDerWaalsContact O-N 3.07Å; A420-T424 HydrophobicContact CB-CG2 4.49Å; A420-A425 HydrophobicContact CB-CB 3.85Å; A420-H427 PolarHBondContact O-CE1 2.83Å
421	A	98.9	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.104	C	C	.	.			trans	-146.1	151.3	179.5	0	0	0	0	0	113.5	A54 L236 T424 F446	A54-A421 HydrophobicContact CB-CB 4.18Å; L236-A421 PolarHBondContact O-N 3.07Å; A421-T424 WeakPolarHBondContact O-CG2 3.5Å; A421-F446 HydrophobicContact CB-CB 4.2Å
422	G	98.7	Very high	98.5	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.01	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	75.8	-156.6	-176.5	0	0	0	0	0	112.5	T424 A425	G422-T424 PolarHBondContact O-N 3.16Å; G422-A425 WeakPolarHBondContact O-CB 3.49Å; G422-A425 PolarHBondContact O-N 3.11Å
423	E	98.9	Very high	98.6	Very high	24 Å²	24	12.4 Å²	12.4	11%	0.112	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-60.6	-19.5	-171.8	-173.7	172.6	-174.2	0	0	115	Y390 N391 A425	Y390-E423 VanDerWaalsContact CA-OE1 3.29Å; Y390-E423 WeakPolarHBondContact CA-OE1 3.11Å; Y390-E423 HydrophobicContact CD2-CB 4.46Å; Y390-E423 HydrophobicContact CD2-CG 3.81Å; Y390-E423 WeakPolarHBondContact CD2-OE1 3.28Å; Y390-E423 HydrophobicContact CE2-CB 3.71Å; Y390-E423 VanDerWaalsContact CE2-CD 3.49Å; Y390-E423 HydrophobicContact CE2-CG 3.44Å; Y390-E423 VanDerWaalsContact CE2-CG 3.44Å; N391-E423 HydrophobicContact CB-CG 4.42Å; N391-E423 PolarHBondContact N-OE1 3.02Å; E423-A425 PolarHBondContact O-N 2.94Å
424	T	98.9	Very high	98.7	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-74.6	-13.6	173.6	-169.8	0	0	0	0	113	L236 T238 G394 I395 A420 A421 G422	L236-T424 HydrophobicContact CB-CG2 4.49Å; L236-T424 WeakPolarHBondContact O-CG2 3.16Å; T238-T424 PolarHBondContact OG1-OG1 3.45Å; G394-T424 WeakPolarHBondContact CA-O 3.47Å; I395-T424 WeakPolarHBondContact CG1-O 3.29Å; I395-T424 PolarHBondContact N-O 2.98Å; A420-T424 HydrophobicContact CB-CG2 4.49Å; A421-T424 WeakPolarHBondContact O-CG2 3.5Å; G422-T424 PolarHBondContact O-N 3.16Å
425	A	98.9	Very high	98.7	Very high	3 Å²	3	6.3 Å²	6.3	3%	0.025	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.5	-175.5	0	0	0	0	0	111.3	I395 T397 A420 G422 E423 H427	I395-A425 CarbonylContact O-C 3.36Å; I395-A425 WeakPolarHBondContact O-CA 3.47Å; T397-A425 HydrophobicContact CG2-CB 4.29Å; A420-A425 HydrophobicContact CB-CB 3.85Å; G422-A425 WeakPolarHBondContact O-CB 3.49Å; G422-A425 PolarHBondContact O-N 3.11Å; E423-A425 PolarHBondContact O-N 2.94Å; A425-H427 WeakPolarHBondContact CB-NE2 3.12Å
426	A	98.8	Very high	98.6	Very high	3 Å²	3	6.2 Å²	6.2	3%	0.025	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	71.8	162.9	0	0	0	0	0	108.5	I395 P396 T397 S428	I395-A426 PolarHBondContact O-N 3.31Å; P396-A426 WeakPolarHBondContact CA-O 3.18Å; T397-A426 PolarHBondContact N-O 2.86Å; T397-A426 VanDerWaalsContact N-O 3.13Å; A426-S428 PolarHBondContact O-N 3.05Å
427	H	98.4	Very high	98.7	Very high	2 Å²	2	3.8 Å²	3.8	1%	0.009	2%	0.023	C	C	.	.			trans	-57	-21.1	154.2	-51.2	-63.2	0	0	0	110.9	T397 A420 A425 V429 D442 F446	T397-H427 VanDerWaalsContact OG1-CA 3.27Å; T397-H427 WeakPolarHBondContact OG1-CA 3.39Å; T397-H427 PolarHBondContact OG1-CE1 3.38Å; T397-H427 PolarHBondContact OG1-N 3.35Å; T397-H427 PolarHBondContact OG1-ND1 2.76Å; A420-H427 PolarHBondContact O-CE1 2.83Å; A425-H427 WeakPolarHBondContact CB-NE2 3.12Å; H427-V429 VanDerWaalsContact C-N 3.32Å; H427-V429 HydrophobicContact CB-CG1 4.2Å; H427-V429 PolarHBondContact O-N 3.15Å; H427-D442 IonicContact CD2-OD1 2.69Å; H427-D442 IonicContact NE2-OD1 3.25Å; H427-F446 HydrophobicContact CB-CE1 4.24Å; H427-F446 HydrophobicContact CB-CE2 4.4Å; H427-F446 HydrophobicContact CB-CZ 4.15Å; H427-F446 AromaticContact CD2-CD1 3.9Å; H427-F446 AromaticContact CD2-CD2 3.52Å; H427-F446 AromaticContact CD2-CE2 3.99Å; H427-F446 AromaticContact CD2-CG 3.47Å; H427-F446 VanDerWaalsContact CD2-CG 3.47Å; H427-F446 WeakPolarHBondContact CD2-CG 3.33Å; H427-F446 AromaticContact CE1-CD1 3.65Å; H427-F446 AromaticContact CE1-CG 3.65Å; H427-F446 AromaticContact CG-CD1 3.79Å; H427-F446 AromaticContact CG-CE1 3.92Å; H427-F446 AromaticContact CG-CG 3.86Å; H427-F446 AromaticContact ND1-CD1 3.59Å; H427-F446 AromaticContact ND1-CE1 3.97Å; H427-F446 AromaticContact ND1-CG 3.91Å; H427-F446 WeakPolarHBondContact NE2-CB 3.45Å; H427-F446 AromaticContact NE2-CD1 3.84Å; H427-F446 AromaticContact NE2-CD2 3.85Å; H427-F446 AromaticContact NE2-CG 3.36Å; H427-F446 WeakPolarHBondContact NE2-CG 3.2Å
428	S	98.3	Very high	98.7	Very high	3 Å²	3	3.5 Å²	3.5	2%	0.021	2%	0.02	C	C	.	.			trans	56.8	37.5	-172.1	-148.6	0	0	0	0	114.3	L115 G116 D117 A426 H430 G431 H608	L115-S428 PolarHBondContact O-OG 2.81Å; G116-S428 CarbonylContact C-O 3.38Å; G116-S428 WeakPolarHBondContact CA-O 3.37Å; D117-S428 PolarHBondContact N-O 3.05Å; A426-S428 PolarHBondContact O-N 3.05Å; S428-H430 PolarHBondContact O-N 2.6Å; S428-G431 WeakPolarHBondContact OG-CA 3.46Å; S428-H608 PolarHBondContact OG-CE1 2.88Å; S428-H608 VanDerWaalsContact OG-CE1 3.3Å
429	V	98.8	Very high	98.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.026	C	C	.	.	S	Bend	trans	-68.1	-10.3	164.9	-60.5	0	0	0	0	113.2	T108 A120 I121 M124 H427 D442 F446	T108-V429 WeakPolarHBondContact CG2-O 3.26Å; A120-V429 HydrophobicContact CB-CG1 3.58Å; I121-V429 HydrophobicContact CG1-CB 4.04Å; I121-V429 HydrophobicContact CG1-CG1 4.29Å; M124-V429 HydrophobicContact CB-CG1 4.33Å; M124-V429 HydrophobicContact CE-CB 3.86Å; M124-V429 HydrophobicContact CE-CG1 4.48Å; M124-V429 HydrophobicContact CE-CG2 4.07Å; M124-V429 HydrophobicContact SD-CB 3.94Å; M124-V429 HydrophobicContact SD-CG1 4.29Å; M124-V429 HydrophobicContact SD-CG2 3.66Å; H427-V429 VanDerWaalsContact C-N 3.32Å; H427-V429 HydrophobicContact CB-CG1 4.2Å; H427-V429 PolarHBondContact O-N 3.15Å; V429-D442 HydrophobicContact CG2-CB 4.44Å; V429-F446 HydrophobicContact CG1-CE2 3.59Å; V429-F446 HydrophobicContact CG1-CZ 3.47Å; V429-F446 VanDerWaalsContact CG1-CZ 3.47Å; V429-F446 HydrophobicContact CG2-CE2 4.17Å
430	H	98.8	Very high	98.7	Very high	6 Å²	6	4.5 Å²	4.5	3%	0.028	3%	0.027	C	C	.	.	S	Bend	trans	-109.7	-17	-177.3	-53	-55.4	0	0	0	113.6	S112 Y390 M392 S428 A432 N433 R434 D442	S112-H430 WeakPolarHBondContact CA-O 3.5Å; S112-H430 WeakPolarHBondContact CB-O 3.25Å; Y390-H430 AromaticContact CE1-CD2 3.98Å; Y390-H430 PolarHBondContact OH-CD2 2.92Å; Y390-H430 PolarHBondContact OH-NE2 3.17Å; M392-H430 HydrophobicContact CG-CB 3.89Å; S428-H430 PolarHBondContact O-N 2.6Å; H430-A432 PolarHBondContact O-N 3.44Å; H430-N433 CarbonylContact O-C 3.53Å; H430-N433 PolarHBondContact O-N 3.04Å; H430-N433 VanDerWaalsContact O-N 3.08Å; H430-N433 VanDerWaalsContact O-O 3.04Å; H430-R434 HydrophobicContact CB-CB 3.81Å; H430-R434 HydrophobicContact CB-CG 4.3Å; H430-R434 VanDerWaalsContact CE1-CD 3.49Å; H430-R434 WeakPolarHBondContact CE1-CD 3.49Å; H430-R434 WeakPolarHBondContact ND1-CD 3.28Å; H430-R434 VanDerWaalsContact ND1-CG 3.26Å; H430-R434 WeakPolarHBondContact ND1-CG 3.39Å; H430-D442 IonicContact CD2-OD2 3.11Å; H430-D442 IonicContact CE1-OD2 3.67Å; H430-D442 IonicContact NE2-OD2 3.59Å; H430-D442 PolarHBondContact NE2-OD2 3.44Å
431	G	98.7	Very high	98.7	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.01	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.6	-124.8	-174.4	0	0	0	0	0	113.1	M392 S428	M392-G431 VanDerWaalsContact CB-O 3.29Å; M392-G431 WeakPolarHBondContact CB-O 3.16Å; M392-G431 WeakPolarHBondContact CG-O 3.49Å; S428-G431 WeakPolarHBondContact OG-CA 3.46Å
432	A	98.9	Very high	98.7	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.1	-176	0	0	0	0	0	114.7	S112 D113 L115 F274 H430 R572 A574	S112-A432 PolarHBondContact O-N 3.12Å; D113-A432 HydrophobicContact CB-CB 4.33Å; L115-A432 HydrophobicContact CB-CB 4.25Å; L115-A432 HydrophobicContact CD2-CB 4.03Å; F274-A432 HydrophobicContact CD1-CB 3.55Å; F274-A432 HydrophobicContact CE1-CB 3.42Å; F274-A432 VanDerWaalsContact CE1-CB 3.42Å; F274-A432 HydrophobicContact CG-CB 4.4Å; F274-A432 HydrophobicContact CZ-CB 4.19Å; H430-A432 PolarHBondContact O-N 3.44Å; A432-R572 HydrophobicContact CB-CB 4.37Å; A432-R572 HydrophobicContact CB-CG 3.67Å; A432-A574 WeakPolarHBondContact O-CB 3.32Å; A432-A574 PolarHBondContact O-N 2.95Å
433	N	98.9	Very high	98.7	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.029	C	C	.	.	S	Bend	trans	-159.4	118.6	175.9	165.5	82.8	0	0	0	111.1	G111 Q276 D323 H430 R645	G111-N433 CarbonylContact C-O 3.09Å; G111-N433 VanDerWaalsContact C-O 3.27Å; G111-N433 WeakPolarHBondContact O-CB 3.37Å; G111-N433 PolarHBondContact O-ND2 2.76Å; G111-N433 VanDerWaalsContact O-ND2 3.09Å; Q276-N433 PolarHBondContact NE2-OD1 3.19Å; D323-N433 HydrophobicContact CB-CB 4.24Å; D323-N433 PolarHBondContact N-OD1 3.07Å; D323-N433 PolarHBondContact OD1-ND2 3.39Å; D323-N433 PolarHBondContact OD1-OD1 3.39Å; H430-N433 CarbonylContact O-C 3.53Å; H430-N433 PolarHBondContact O-N 3.04Å; H430-N433 VanDerWaalsContact O-N 3.08Å; H430-N433 VanDerWaalsContact O-O 3.04Å; N433-R645 PolarHBondContact ND2-NH2 3.09Å
434	R	98.9	Very high	98.6	Very high	9 Å²	9	4 Å²	4	3%	0.034	2%	0.024	C	C	.	.	P	Polyproline II helix	trans	-73.3	135.6	174.3	178.4	169	67.2	67.5	-5.6	112.6	Q276 R322 H389 Y390 M392 H430 N438	Q276-R434 PolarHBondContact NE2-O 2.83Å; R322-R434 VanDerWaalsContact NH1-NH2 3.19Å; H389-R434 PolarHBondContact CD2-NH2 3.45Å; H389-R434 PolarHBondContact NE2-NH2 2.88Å; Y390-R434 VanDerWaalsContact CB-NH2 3.29Å; Y390-R434 HydrophobicContact CD1-CB 4.25Å; Y390-R434 VanDerWaalsContact CD2-NE 3.35Å; Y390-R434 HydrophobicContact CE1-CB 4.29Å; Y390-R434 HydrophobicContact CE1-CG 4.49Å; Y390-R434 VanDerWaalsContact CE1-NE 3.33Å; Y390-R434 VanDerWaalsContact CG-NH2 3.31Å; M392-R434 HydrophobicContact CG-CB 4.28Å; M392-R434 HydrophobicContact SD-CB 4.22Å; H430-R434 HydrophobicContact CB-CB 3.81Å; H430-R434 HydrophobicContact CB-CG 4.3Å; H430-R434 VanDerWaalsContact CE1-CD 3.49Å; H430-R434 WeakPolarHBondContact CE1-CD 3.49Å; H430-R434 WeakPolarHBondContact ND1-CD 3.28Å; H430-R434 VanDerWaalsContact ND1-CG 3.26Å; H430-R434 WeakPolarHBondContact ND1-CG 3.39Å; R434-N438 HydrophobicContact CG-CB 4.49Å
435	L	98.6	Very high	98.6	Very high	4 Å²	4	4 Å²	4	2%	0.021	2%	0.024	C	C	.	.	P	Polyproline II helix	trans	-71.7	144.8	164.8	-63.7	-171.7	0	0	0	111.8	D107 N438	D107-L435 HydrophobicContact CB-CD1 3.96Å; L435-N438 HydrophobicContact CB-CB 4.49Å; L435-N438 PolarHBondContact O-N 3.34Å
436	G	97.6	Very high	98.6	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.01	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	147.3	172.1	0	0	0	0	0	111.5	N90 N438	N90-G436 PolarHBondContact ND2-O 2.68Å; G436-N438 PolarHBondContact O-N 2.82Å
437	A	98.5	Very high	98.6	Very high	9 Å²	9	3.7 Å²	3.7	7%	0.074	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-5	-175	0	0	0	0	0	117.6	G88 N90 F155 T171	G88-A437 VanDerWaalsContact C-CB 3.49Å; G88-A437 WeakPolarHBondContact O-CA 3.5Å; G88-A437 WeakPolarHBondContact O-CB 3.39Å; N90-A437 PolarHBondContact N-O 2.83Å; N90-A437 VanDerWaalsContact OD1-CB 3.27Å; N90-A437 WeakPolarHBondContact OD1-CB 3.4Å; F155-A437 HydrophobicContact CD1-CB 4.37Å; F155-A437 HydrophobicContact CE1-CB 4.4Å; T171-A437 HydrophobicContact CG2-CB 3.55Å
438	N	98.8	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-75.8	-20.7	171.5	-85.5	8.7	0	0	0	113.9	N90 H104 T108 R434 L435 G436 L441 D442	N90-N438 PolarHBondContact ND2-N 3.18Å; N90-N438 PolarHBondContact ND2-OD1 3.03Å; H104-N438 PolarHBondContact NE2-OD1 3.15Å; T108-N438 WeakPolarHBondContact CG2-ND2 3.33Å; T108-N438 PolarHBondContact OG1-ND2 3.08Å; R434-N438 HydrophobicContact CG-CB 4.49Å; L435-N438 HydrophobicContact CB-CB 4.49Å; L435-N438 PolarHBondContact O-N 3.34Å; G436-N438 PolarHBondContact O-N 2.82Å; N438-L441 PolarHBondContact O-N 3.11Å; N438-D442 WeakPolarHBondContact O-CB 3.31Å; N438-D442 PolarHBondContact O-N 2.84Å
439	S	98.7	Very high	98.6	Very high	19 Å²	19	6.1 Å²	6.1	13%	0.133	3%	0.031	C	C	.	.	H	α-helix	trans	-68.5	-48.8	179.1	172.6	0	0	0	0	111.8	Y390 L441 D442 L443	Y390-S439 WeakPolarHBondContact CE2-OG 3.44Å; S439-L441 PolarHBondContact O-N 2.92Å; S439-D442 WeakPolarHBondContact O-CB 3.42Å; S439-D442 PolarHBondContact O-N 3.27Å; S439-D442 VanDerWaalsContact O-N 3.15Å; S439-L443 VanDerWaalsContact O-CG 3.28Å; S439-L443 WeakPolarHBondContact O-CG 3.39Å; S439-L443 PolarHBondContact O-N 3.11Å
440	L	98.6	Very high	98.6	Very high	8 Å²	8	6.1 Å²	6.1	4%	0.042	3%	0.031	C	C	.	.	H	α-helix	trans	-60.6	-32.8	176.7	-70.8	-171	0	0	0	112.1	T82 A85 V89 T178 M182 L443 V444	T82-L440 HydrophobicContact CG2-CD2 3.92Å; A85-L440 HydrophobicContact CB-CD1 3.92Å; A85-L440 HydrophobicContact CB-CD2 3.82Å; A85-L440 HydrophobicContact CB-CG 4.06Å; V89-L440 HydrophobicContact CB-CB 4.06Å; V89-L440 HydrophobicContact CG2-CB 4.21Å; T178-L440 HydrophobicContact CG2-CD1 4.12Å; M182-L440 HydrophobicContact CE-CB 3.76Å; M182-L440 HydrophobicContact CE-CD1 3.99Å; M182-L440 HydrophobicContact CE-CG 4.33Å; M182-L440 HydrophobicContact SD-CB 4.09Å; M182-L440 HydrophobicContact SD-CD1 4.39Å; M182-L440 HydrophobicContact SD-CD2 4Å; M182-L440 HydrophobicContact SD-CG 4.39Å; L440-L443 HydrophobicContact CD2-CD1 3.87Å; L440-V444 PolarHBondContact O-N 3.15Å
441	L	98.8	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.9	-53	173	173.7	64.1	0	0	0	111	V89 M124 A128 N438 S439 L443 V444 I445	V89-L441 HydrophobicContact CG2-CB 3.87Å; M124-L441 HydrophobicContact CE-CD2 4.42Å; M124-L441 HydrophobicContact CG-CD2 3.65Å; M124-L441 HydrophobicContact CG-CG 3.78Å; M124-L441 HydrophobicContact SD-CD2 4.04Å; M124-L441 HydrophobicContact SD-CG 4.21Å; A128-L441 HydrophobicContact CB-CD1 3.49Å; A128-L441 VanDerWaalsContact CB-CD1 3.49Å; A128-L441 HydrophobicContact CB-CD2 3.8Å; A128-L441 HydrophobicContact CB-CG 4.29Å; N438-L441 PolarHBondContact O-N 3.11Å; S439-L441 PolarHBondContact O-N 2.92Å; L441-L443 VanDerWaalsContact C-N 3.26Å; L441-L443 PolarHBondContact O-N 3.29Å; L441-V444 VanDerWaalsContact O-CG2 3.28Å; L441-V444 WeakPolarHBondContact O-CG2 3.39Å; L441-V444 PolarHBondContact O-N 2.96Å; L441-V444 VanDerWaalsContact O-N 3.12Å; L441-I445 HydrophobicContact CD1-CD1 4.07Å; L441-I445 HydrophobicContact CD1-CG1 3.58Å; L441-I445 HydrophobicContact CG-CG1 4.02Å; L441-I445 WeakPolarHBondContact O-CB 3.16Å; L441-I445 WeakPolarHBondContact O-CG1 3.28Å; L441-I445 PolarHBondContact O-N 3.3Å
442	D	98.6	Very high	98.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-48.6	-48.5	175.1	162.6	2.3	0	0	0	111	M124 H427 V429 H430 N438 S439 V444 I445 F446	M124-D442 HydrophobicContact SD-CB 4.18Å; H427-D442 IonicContact CD2-OD1 2.69Å; H427-D442 IonicContact NE2-OD1 3.25Å; V429-D442 HydrophobicContact CG2-CB 4.44Å; H430-D442 IonicContact CD2-OD2 3.11Å; H430-D442 IonicContact CE1-OD2 3.67Å; H430-D442 IonicContact NE2-OD2 3.59Å; H430-D442 PolarHBondContact NE2-OD2 3.44Å; N438-D442 WeakPolarHBondContact O-CB 3.31Å; N438-D442 PolarHBondContact O-N 2.84Å; S439-D442 WeakPolarHBondContact O-CB 3.42Å; S439-D442 PolarHBondContact O-N 3.27Å; S439-D442 VanDerWaalsContact O-N 3.15Å; D442-V444 VanDerWaalsContact C-N 3.33Å; D442-V444 PolarHBondContact O-N 3.05Å; D442-I445 PolarHBondContact O-N 2.84Å; D442-F446 HydrophobicContact CB-CD2 4.27Å; D442-F446 WeakPolarHBondContact O-CD2 3.49Å; D442-F446 PolarHBondContact O-N 3.04Å; D442-F446 VanDerWaalsContact OD1-CD2 3.26Å; D442-F446 WeakPolarHBondContact OD1-CD2 3.3Å
443	L	98.6	Very high	98.6	Very high	12 Å²	12	10 Å²	10	6%	0.063	5%	0.053	C	C	.	.	H	α-helix	trans	-50.8	-51.1	179	-56.5	-168.3	0	0	0	112.3	A54 T82 S439 L440 L441 G447	A54-L443 WeakPolarHBondContact CA-O 3.47Å; A54-L443 HydrophobicContact CB-CB 4.14Å; A54-L443 HydrophobicContact CB-CD2 4.1Å; T82-L443 HydrophobicContact CG2-CD1 3.84Å; S439-L443 VanDerWaalsContact O-CG 3.28Å; S439-L443 WeakPolarHBondContact O-CG 3.39Å; S439-L443 PolarHBondContact O-N 3.11Å; L440-L443 HydrophobicContact CD2-CD1 3.87Å; L441-L443 VanDerWaalsContact C-N 3.26Å; L441-L443 PolarHBondContact O-N 3.29Å; L443-G447 WeakPolarHBondContact O-CA 3.19Å; L443-G447 PolarHBondContact O-N 3.26Å
444	V	98.5	Very high	98.6	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-80.6	-28	-174.4	-61.5	0	0	0	0	113.1	R57 A131 L135 M182 L186 L440 L441 D442 R448	R57-V444 HydrophobicContact CG-CB 4.37Å; R57-V444 WeakPolarHBondContact CG-O 3.22Å; A131-V444 HydrophobicContact CB-CG2 4.12Å; L135-V444 HydrophobicContact CD1-CG1 4.23Å; L135-V444 HydrophobicContact CD1-CG2 4.49Å; L135-V444 HydrophobicContact CD2-CG1 4.27Å; M182-V444 HydrophobicContact SD-CG1 4.01Å; L186-V444 HydrophobicContact CD1-CG1 4.31Å; L440-V444 PolarHBondContact O-N 3.15Å; L441-V444 VanDerWaalsContact O-CG2 3.28Å; L441-V444 WeakPolarHBondContact O-CG2 3.39Å; L441-V444 PolarHBondContact O-N 2.96Å; L441-V444 VanDerWaalsContact O-N 3.12Å; D442-V444 VanDerWaalsContact C-N 3.33Å; D442-V444 PolarHBondContact O-N 3.05Å; V444-R448 VanDerWaalsContact O-CB 3.27Å; V444-R448 WeakPolarHBondContact O-CB 3.37Å; V444-R448 PolarHBondContact O-N 2.93Å
445	I	98.8	Very high	98.5	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-71.2	-56.1	174.9	-68.5	-51.8	0	0	0	110.7	Y123 M124 E127 A131 L441 D442 R448 A449	Y123-I445 HydrophobicContact CD1-CG2 3.58Å; Y123-I445 HydrophobicContact CE1-CG2 3.47Å; Y123-I445 VanDerWaalsContact CE1-CG2 3.47Å; M124-I445 HydrophobicContact CB-CG2 4.38Å; M124-I445 HydrophobicContact CG-CG1 4.2Å; M124-I445 HydrophobicContact CG-CG2 4.49Å; E127-I445 HydrophobicContact CB-CD1 3.57Å; A131-I445 HydrophobicContact CB-CD1 3.5Å; A131-I445 VanDerWaalsContact CB-CD1 3.5Å; L441-I445 HydrophobicContact CD1-CD1 4.07Å; L441-I445 HydrophobicContact CD1-CG1 3.58Å; L441-I445 HydrophobicContact CG-CG1 4.02Å; L441-I445 WeakPolarHBondContact O-CB 3.16Å; L441-I445 WeakPolarHBondContact O-CG1 3.28Å; L441-I445 PolarHBondContact O-N 3.3Å; D442-I445 PolarHBondContact O-N 2.84Å; I445-R448 WeakPolarHBondContact O-CB 3.27Å; I445-R448 PolarHBondContact O-N 3.46Å; I445-A449 PolarHBondContact O-N 2.97Å
446	F	98.8	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-82.4	-26.6	-171.4	-67.6	-75.4	0	0	0	112.5	A120 Y123 M124 A421 H427 V429 D442 R448 A449 C450	A120-F446 HydrophobicContact CB-CZ 4.26Å; Y123-F446 HydrophobicContact CD1-CE1 4.08Å; Y123-F446 HydrophobicContact CD1-CZ 4.42Å; M124-F446 HydrophobicContact CB-CE2 4.11Å; M124-F446 HydrophobicContact CB-CZ 4.27Å; M124-F446 HydrophobicContact CG-CE2 4.31Å; M124-F446 HydrophobicContact SD-CE2 4.35Å; A421-F446 HydrophobicContact CB-CB 4.2Å; H427-F446 HydrophobicContact CB-CE1 4.24Å; H427-F446 HydrophobicContact CB-CE2 4.4Å; H427-F446 HydrophobicContact CB-CZ 4.15Å; H427-F446 AromaticContact CD2-CD1 3.9Å; H427-F446 AromaticContact CD2-CD2 3.52Å; H427-F446 AromaticContact CD2-CE2 3.99Å; H427-F446 AromaticContact CD2-CG 3.47Å; H427-F446 VanDerWaalsContact CD2-CG 3.47Å; H427-F446 WeakPolarHBondContact CD2-CG 3.33Å; H427-F446 AromaticContact CE1-CD1 3.65Å; H427-F446 AromaticContact CE1-CG 3.65Å; H427-F446 AromaticContact CG-CD1 3.79Å; H427-F446 AromaticContact CG-CE1 3.92Å; H427-F446 AromaticContact CG-CG 3.86Å; H427-F446 AromaticContact ND1-CD1 3.59Å; H427-F446 AromaticContact ND1-CE1 3.97Å; H427-F446 AromaticContact ND1-CG 3.91Å; H427-F446 WeakPolarHBondContact NE2-CB 3.45Å; H427-F446 AromaticContact NE2-CD1 3.84Å; H427-F446 AromaticContact NE2-CD2 3.85Å; H427-F446 AromaticContact NE2-CG 3.36Å; H427-F446 WeakPolarHBondContact NE2-CG 3.2Å; V429-F446 HydrophobicContact CG1-CE2 3.59Å; V429-F446 HydrophobicContact CG1-CZ 3.47Å; V429-F446 VanDerWaalsContact CG1-CZ 3.47Å; V429-F446 HydrophobicContact CG2-CE2 4.17Å; D442-F446 HydrophobicContact CB-CD2 4.27Å; D442-F446 WeakPolarHBondContact O-CD2 3.49Å; D442-F446 PolarHBondContact O-N 3.04Å; D442-F446 VanDerWaalsContact OD1-CD2 3.26Å; D442-F446 WeakPolarHBondContact OD1-CD2 3.3Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.28Å; F446-A449 HydrophobicContact CD1-CB 4.29Å; F446-A449 PolarHBondContact O-N 2.89Å; F446-C450 PolarHBondContact O-N 3.11Å; F446-C450 PolarHBondContact O-SG 3.14Å; F446-C450 VanDerWaalsContact O-SG 3.36Å
447	G	98.7	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-45.3	164.3	0	0	0	0	0	111.6	A58 L443	A58-G447 WeakPolarHBondContact CA-O 3.34Å; A58-G447 VanDerWaalsContact CB-O 3.32Å; A58-G447 WeakPolarHBondContact CB-O 3.47Å; L443-G447 WeakPolarHBondContact O-CA 3.19Å; L443-G447 PolarHBondContact O-N 3.26Å
448	R	98.5	Very high	98.3	Very high	52 Å²	52	25.2 Å²	25.2	20%	0.196	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-38.3	173.6	-173.5	179	-170	-96.1	-2.6	112	R57 E134 V444 I445 F446 C450 A451 L452	R57-R448 HydrophobicContact CG-CB 4.18Å; R57-R448 VanDerWaalsContact NH2-CD 3.27Å; E134-R448 IonicContact OE1-NE 3.98Å; V444-R448 VanDerWaalsContact O-CB 3.27Å; V444-R448 WeakPolarHBondContact O-CB 3.37Å; V444-R448 PolarHBondContact O-N 2.93Å; I445-R448 WeakPolarHBondContact O-CB 3.27Å; I445-R448 PolarHBondContact O-N 3.46Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.28Å; R448-C450 VanDerWaalsContact C-N 3.35Å; R448-C450 PolarHBondContact O-N 3.3Å; R448-A451 PolarHBondContact O-N 2.97Å; R448-L452 HydrophobicContact CG-CD1 4.15Å; R448-L452 HydrophobicContact CG-CG 4.34Å; R448-L452 WeakPolarHBondContact O-CG 3.29Å; R448-L452 PolarHBondContact O-N 2.75Å
449	A	98.6	Very high	98.2	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-42.5	178.4	0	0	0	0	0	112.1	Y123 A401 I445 F446 A451 L452 S453	Y123-A449 HydrophobicContact CE1-CB 3.94Å; A401-A449 HydrophobicContact CB-CB 4.45Å; I445-A449 PolarHBondContact O-N 2.97Å; F446-A449 HydrophobicContact CD1-CB 4.29Å; F446-A449 PolarHBondContact O-N 2.89Å; A449-A451 VanDerWaalsContact C-N 3.33Å; A449-A451 PolarHBondContact O-N 3.16Å; A449-L452 PolarHBondContact O-N 3.2Å; A449-S453 VanDerWaalsContact O-CB 3.31Å; A449-S453 WeakPolarHBondContact O-CB 3.49Å; A449-S453 PolarHBondContact O-N 3.12Å
450	C	98.8	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.2	-50.2	172.8	-68.9	0	0	0	0	111.5	I235 A401 Y419 F446 R448 L452 S453 I454	I235-C450 HydrophobicContact CD1-CB 3.62Å; I235-C450 HydrophobicContact CG1-CB 4.16Å; I235-C450 HydrophobicContact CG2-CB 4.46Å; A401-C450 WeakPolarHBondContact CB-SG 3.5Å; Y419-C450 HydrophobicContact CD1-CB 4.39Å; F446-C450 PolarHBondContact O-N 3.11Å; F446-C450 PolarHBondContact O-SG 3.14Å; F446-C450 VanDerWaalsContact O-SG 3.36Å; R448-C450 VanDerWaalsContact C-N 3.35Å; R448-C450 PolarHBondContact O-N 3.3Å; C450-L452 PolarHBondContact O-N 2.75Å; C450-S453 PolarHBondContact O-N 2.88Å; C450-I454 WeakPolarHBondContact O-CB 3.34Å; C450-I454 WeakPolarHBondContact O-CG1 3.46Å; C450-I454 PolarHBondContact O-N 2.99Å
451	A	98.4	Very high	98	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-44	-178.9	0	0	0	0	0	112.1	L62 R448 A449 A455	L62-A451 HydrophobicContact CD2-CB 4.15Å; L62-A451 HydrophobicContact CG-CB 3.92Å; R448-A451 PolarHBondContact O-N 2.97Å; A449-A451 VanDerWaalsContact C-N 3.33Å; A449-A451 PolarHBondContact O-N 3.16Å; A451-A455 VanDerWaalsContact O-CB 3.26Å; A451-A455 WeakPolarHBondContact O-CB 3.34Å; A451-A455 PolarHBondContact O-N 3.05Å
452	L	98.3	Very high	97.8	Very high	79 Å²	79	41.4 Å²	41.4	41%	0.414	22%	0.223	S	C	.	.	H	α-helix	trans	-67.7	-40.1	178.2	-66.9	176.7	0	0	0	112.8	R448 A449 C450 A455 K456	R448-L452 HydrophobicContact CG-CD1 4.15Å; R448-L452 HydrophobicContact CG-CG 4.34Å; R448-L452 WeakPolarHBondContact O-CG 3.29Å; R448-L452 PolarHBondContact O-N 2.75Å; A449-L452 PolarHBondContact O-N 3.2Å; C450-L452 PolarHBondContact O-N 2.75Å; L452-A455 PolarHBondContact O-N 2.56Å; L452-K456 WeakPolarHBondContact O-CB 3.49Å; L452-K456 PolarHBondContact O-N 3.31Å
453	S	98.4	Very high	97.7	Very high	7 Å²	7	50.6 Å²	50.6	5%	0.049	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-47.3	177.6	-171.5	0	0	0	0	110.7	Y419 A449 C450 K456 E457	Y419-S453 WeakPolarHBondContact CE1-OG 3.34Å; Y419-S453 PolarHBondContact OH-OG 3.35Å; Y419-S453 VanDerWaalsContact OH-OG 3.07Å; A449-S453 VanDerWaalsContact O-CB 3.31Å; A449-S453 WeakPolarHBondContact O-CB 3.49Å; A449-S453 PolarHBondContact O-N 3.12Å; C450-S453 PolarHBondContact O-N 2.88Å; S453-K456 WeakPolarHBondContact O-CB 3.28Å; S453-K456 PolarHBondContact O-N 3.47Å; S453-E457 WeakPolarHBondContact O-CG 3.48Å; S453-E457 PolarHBondContact O-N 2.9Å; S453-E457 VanDerWaalsContact O-N 3.08Å
454	I	98.6	Very high	97.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-43.7	176.8	-67.8	166.1	0	0	0	111.1	V46 L62 F67 N233 I235 Y419 C450 K456 E457 C458	V46-I454 HydrophobicContact CG1-CD1 4Å; V46-I454 HydrophobicContact CG2-CD1 4.39Å; V46-I454 HydrophobicContact CG2-CG2 3.96Å; L62-I454 HydrophobicContact CD2-CB 4.1Å; L62-I454 HydrophobicContact CD2-CD1 4.13Å; L62-I454 HydrophobicContact CD2-CG2 4.01Å; F67-I454 HydrophobicContact CD1-CG2 4.47Å; F67-I454 HydrophobicContact CE1-CG2 4.01Å; F67-I454 HydrophobicContact CE2-CG2 4.46Å; F67-I454 HydrophobicContact CZ-CG2 4.01Å; N233-I454 HydrophobicContact CB-CD1 3.85Å; N233-I454 HydrophobicContact CB-CG1 4.2Å; I235-I454 HydrophobicContact CD1-CD1 3.81Å; I235-I454 HydrophobicContact CG1-CD1 4.09Å; Y419-I454 HydrophobicContact CD2-CD1 4.12Å; Y419-I454 HydrophobicContact CD2-CG1 4.19Å; Y419-I454 HydrophobicContact CE1-CG1 4.27Å; Y419-I454 HydrophobicContact CE2-CD1 4.07Å; Y419-I454 HydrophobicContact CE2-CG1 3.63Å; C450-I454 WeakPolarHBondContact O-CB 3.34Å; C450-I454 WeakPolarHBondContact O-CG1 3.46Å; C450-I454 PolarHBondContact O-N 2.99Å; I454-K456 PolarHBondContact O-N 3.18Å; I454-E457 PolarHBondContact O-N 3.2Å; I454-C458 HydrophobicContact CG2-CB 4.37Å; I454-C458 WeakPolarHBondContact O-CB 3.35Å; I454-C458 PolarHBondContact O-N 3.44Å
455	A	98	Very high	97.3	Very high	44 Å²	44	52.5 Å²	52.5	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-24.9	177.5	0	0	0	0	0	113.6	A65 F67 A451 L452	A65-A455 HydrophobicContact CB-CB 4.22Å; F67-A455 HydrophobicContact CE2-CB 3.9Å; F67-A455 HydrophobicContact CZ-CB 4.49Å; A451-A455 VanDerWaalsContact O-CB 3.26Å; A451-A455 WeakPolarHBondContact O-CB 3.34Å; A451-A455 PolarHBondContact O-N 3.05Å; L452-A455 PolarHBondContact O-N 2.56Å
456	K	97.4	Very high	97	Very high	172 Å²	172	58.3 Å²	58.3	75%	0.748	31%	0.306	S	S	*	.	H	α-helix	trans	-79.2	-36.2	174.7	-177	-176.4	175.6	-172.6	0	112.3	L452 S453 I454	L452-K456 WeakPolarHBondContact O-CB 3.49Å; L452-K456 PolarHBondContact O-N 3.31Å; S453-K456 WeakPolarHBondContact O-CB 3.28Å; S453-K456 PolarHBondContact O-N 3.47Å; I454-K456 PolarHBondContact O-N 3.18Å
457	E	95.5	Very high	96.7	Very high	104 Å²	104	60.2 Å²	60.2	49%	0.486	32%	0.316	S	S	.	.	H	α-helix	trans	-98.1	-20.2	-171.4	-67.1	-176.9	166.2	0	0	114.3	Q402 Y419 S453 I454	Q402-E457 VanDerWaalsContact NE2-CD 3.25Å; Q402-E457 PolarHBondContact NE2-OE1 3.46Å; Q402-E457 PolarHBondContact NE2-OE2 2.76Å; Y419-E457 PolarHBondContact OH-OE2 3.1Å; Y419-E457 VanDerWaalsContact OH-OE2 3.08Å; S453-E457 WeakPolarHBondContact O-CG 3.48Å; S453-E457 PolarHBondContact O-N 2.9Å; S453-E457 VanDerWaalsContact O-N 3.08Å; I454-E457 PolarHBondContact O-N 3.2Å
458	C	96.7	Very high	96.3	Very high	23 Å²	23	62.7 Å²	62.7	16%	0.155	34%	0.337	C	S	.	.			trans	-133.9	165.3	-173.9	-57.1	0	0	0	0	111.3	F67 N233 I454 E462	F67-C458 HydrophobicContact CE1-CB 4.18Å; F67-C458 HydrophobicContact CZ-CB 4.45Å; N233-C458 PolarHBondContact ND2-SG 3.05Å; N233-C458 VanDerWaalsContact ND2-SG 3.43Å; I454-C458 HydrophobicContact CG2-CB 4.37Å; I454-C458 WeakPolarHBondContact O-CB 3.35Å; I454-C458 PolarHBondContact O-N 3.44Å; C458-E462 WeakPolarHBondContact CA-OE2 3.32Å
459	K	96.6	Very high	95.9	Very high	151 Å²	151	65.6 Å²	65.6	66%	0.657	37%	0.365	S	S	*	.			trans	-120.6	145.6	171.8	-64	178.7	178.9	-177.5	0	110.9	G461 E462	K459-G461 PolarHBondContact O-N 3.01Å; K459-E462 HydrophobicContact CB-CG 3.99Å; K459-E462 PolarHBondContact N-OE1 2.77Å; K459-E462 PolarHBondContact N-OE2 2.86Å; K459-E462 VanDerWaalsContact N-OE2 3.11Å; K459-E462 WeakPolarHBondContact O-CB 3.46Å; K459-E462 WeakPolarHBondContact O-CG 3.29Å; K459-E462 PolarHBondContact O-N 3.43Å
460	P	96.9	Very high	95.6	Very high	61 Å²	61	70.1 Å²	70.1	40%	0.396	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	138.2	172.3	-26.1	35	0	0	0	112.1	G66 F67 E462	G66-P460 WeakPolarHBondContact O-CB 3.41Å; F67-P460 HydrophobicContact CD1-CB 4.29Å; F67-P460 HydrophobicContact CD1-CG 3.93Å; F67-P460 HydrophobicContact CD2-CG 4.08Å; F67-P460 HydrophobicContact CE1-CG 4.01Å; F67-P460 HydrophobicContact CE2-CG 4.13Å; F67-P460 HydrophobicContact CG-CG 3.98Å; F67-P460 HydrophobicContact CZ-CG 4.11Å; P460-E462 VanDerWaalsContact C-N 3.33Å; P460-E462 PolarHBondContact O-N 2.96Å
461	G	96.1	Very high	95.4	Very high	64 Å²	64	71 Å²	71	66%	0.66	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	8.9	178.9	0	0	0	0	0	115.9	D45 K459	D45-G461 PolarHBondContact OD1-N 2.82Å; D45-G461 PolarHBondContact OD2-N 3.35Å; K459-G461 PolarHBondContact O-N 3.01Å
462	E	95.6	Very high	95.3	Very high	90 Å²	90	71.6 Å²	71.6	42%	0.421	40%	0.402	S	S	.	.			trans	-60	153.2	172.8	-82.6	178.5	165.1	0	0	112.6	C458 K459 P460 L464	C458-E462 WeakPolarHBondContact CA-OE2 3.32Å; K459-E462 HydrophobicContact CB-CG 3.99Å; K459-E462 PolarHBondContact N-OE1 2.77Å; K459-E462 PolarHBondContact N-OE2 2.86Å; K459-E462 VanDerWaalsContact N-OE2 3.11Å; K459-E462 WeakPolarHBondContact O-CB 3.46Å; K459-E462 WeakPolarHBondContact O-CG 3.29Å; K459-E462 PolarHBondContact O-N 3.43Å; P460-E462 VanDerWaalsContact C-N 3.33Å; P460-E462 PolarHBondContact O-N 2.96Å; E462-L464 PolarHBondContact O-N 2.9Å
463	K	95.5	Very high	95.1	Very high	194 Å²	194	69.8 Å²	69.8	84%	0.843	39%	0.392	S	S	*	.			trans	-63.1	115	-179.4	-176.3	178.5	178.3	179.3	0	110.3
464	L	96.1	Very high	95	Very high	24 Å²	24	72.7 Å²	72.7	13%	0.126	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-65.9	150.5	177.2	-60.1	-176.5	0	0	0	112.1	Y44 A232 E462	Y44-L464 WeakPolarHBondContact O-CD2 3.17Å; A232-L464 HydrophobicContact CB-CD2 4.18Å; E462-L464 PolarHBondContact O-N 2.9Å
465	P	93.3	Very high	94.9	Very high	28 Å²	28	73.1 Å²	73.1	18%	0.182	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-58.8	153.4	171.5	26.2	-34.2	0	0	0	111.1	N214 R230 T231	N214-P465 HydrophobicContact CB-CB 4.37Å; N214-P465 HydrophobicContact CB-CG 3.92Å; N214-P465 WeakPolarHBondContact OD1-CB 3.43Å; N214-P465 VanDerWaalsContact OD1-CG 3.31Å; N214-P465 WeakPolarHBondContact OD1-CG 3.47Å; R230-P465 WeakPolarHBondContact CD-O 3.46Å; R230-P465 PolarHBondContact NH1-O 2.93Å; T231-P465 WeakPolarHBondContact O-CG 3.47Å
466	N	91.9	Very high	94.9	Very high	124 Å²	124	71.2 Å²	71.2	66%	0.663	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-73.1	142.7	171.2	-70	-21.6	0	0	0	109.1
467	L	92	Very high	94.9	Very high	39 Å²	39	64 Å²	64	20%	0.204	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-103.7	130.1	171.8	-170.8	68.2	0	0	0	108	L207 R228 R230 A471	L207-L467 HydrophobicContact CB-CD1 3.9Å; L207-L467 HydrophobicContact CD1-CD1 3.86Å; L207-L467 HydrophobicContact CD1-CD2 3.97Å; L207-L467 HydrophobicContact CG-CD1 4.3Å; R228-L467 HydrophobicContact CB-CD2 4.18Å; R230-L467 HydrophobicContact CG-CB 4.32Å; L467-A471 HydrophobicContact CD1-CB 3.4Å; L467-A471 HydrophobicContact CD2-CB 4.16Å; L467-A471 HydrophobicContact CG-CB 3.53Å
468	A	91.3	Very high	95	Very high	53 Å²	53	61.2 Å²	61.2	44%	0.438	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-61	147.4	174	0	0	0	0	0	109.9	D470 A471	A468-D470 VanDerWaalsContact CB-OD1 3.23Å; A468-D470 WeakPolarHBondContact CB-OD1 3.41Å; A468-D470 PolarHBondContact O-N 3.32Å; A468-A471 HydrophobicContact CB-CB 4.35Å; A468-A471 WeakPolarHBondContact O-CB 3.43Å; A468-A471 PolarHBondContact O-N 3.27Å
469	S	89.9	Confident	95.1	Very high	113 Å²	113	60.1 Å²	60.1	79%	0.79	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.3	-175.2	49.1	0	0	0	0	112.8	R228	R228-S469 PolarHBondContact NH1-O 3.15Å
470	D	91.6	Very high	95.1	Very high	98 Å²	98	54.8 Å²	54.8	52%	0.524	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	2.8	178.3	61.9	-23.1	0	0	0	113.5	A468 G472 E473	A468-D470 VanDerWaalsContact CB-OD1 3.23Å; A468-D470 WeakPolarHBondContact CB-OD1 3.41Å; A468-D470 PolarHBondContact O-N 3.32Å; D470-G472 PolarHBondContact O-N 3.02Å; D470-E473 WeakPolarHBondContact O-CB 3.48Å; D470-E473 PolarHBondContact O-N 3.15Å
471	A	95.2	Very high	95.1	Very high	20 Å²	20	57.6 Å²	57.6	17%	0.165	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	124.7	-179	0	0	0	0	0	111.2	L207 R228 L467 A468	L207-A471 HydrophobicContact CD2-CB 4.08Å; R228-A471 WeakPolarHBondContact CD-O 3.37Å; R228-A471 PolarHBondContact NH1-O 3.12Å; L467-A471 HydrophobicContact CD1-CB 3.4Å; L467-A471 HydrophobicContact CD2-CB 4.16Å; L467-A471 HydrophobicContact CG-CB 3.53Å; A468-A471 HydrophobicContact CB-CB 4.35Å; A468-A471 WeakPolarHBondContact O-CB 3.43Å; A468-A471 PolarHBondContact O-N 3.27Å
472	G	95.7	Very high	95.2	Very high	15 Å²	15	54.8 Å²	54.8	16%	0.155	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-0.4	-176.9	0	0	0	0	0	115	D470 A474 S475 V476	D470-G472 PolarHBondContact O-N 3.02Å; G472-A474 VanDerWaalsContact C-N 3.31Å; G472-A474 PolarHBondContact O-N 3.18Å; G472-S475 WeakPolarHBondContact O-CB 3.31Å; G472-S475 PolarHBondContact O-N 3.49Å; G472-S475 VanDerWaalsContact O-N 3.07Å; G472-V476 PolarHBondContact O-N 2.89Å
473	E	95.3	Very high	95.3	Very high	42 Å²	42	53 Å²	53	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-38.2	-179.9	178.6	164.8	-155.9	0	0	113.2	S30 D470 S475 V476 A477	S30-E473 WeakPolarHBondContact CA-OE1 3.32Å; S30-E473 WeakPolarHBondContact CB-OE1 3.42Å; D470-E473 WeakPolarHBondContact O-CB 3.48Å; D470-E473 PolarHBondContact O-N 3.15Å; E473-S475 VanDerWaalsContact C-N 3.26Å; E473-S475 PolarHBondContact O-N 3.25Å; E473-V476 PolarHBondContact O-N 3.38Å; E473-A477 WeakPolarHBondContact O-CB 3.23Å; E473-A477 PolarHBondContact O-N 2.92Å
474	A	95.2	Very high	95.3	Very high	68 Å²	68	47.1 Å²	47.1	56%	0.562	28%	0.278	S	S	*	.	H	α-helix	trans	-60.8	-35.7	175.4	0	0	0	0	0	112.4	G472 A477 N478	G472-A474 VanDerWaalsContact C-N 3.31Å; G472-A474 PolarHBondContact O-N 3.18Å; A474-A477 PolarHBondContact O-N 3Å; A474-N478 PolarHBondContact O-N 2.78Å
475	S	97.6	Very high	95.4	Very high	8 Å²	8	46.7 Å²	46.7	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-41.9	176.5	-49.2	0	0	0	0	111.5	D205 G472 E473 A477 N478 L479	D205-S475 VanDerWaalsContact CB-OG 3.3Å; D205-S475 WeakPolarHBondContact CB-OG 3.45Å; D205-S475 VanDerWaalsContact CG-OG 3.31Å; D205-S475 VanDerWaalsContact OD2-CB 3.3Å; D205-S475 WeakPolarHBondContact OD2-CB 3.42Å; D205-S475 PolarHBondContact OD2-OG 3.09Å; G472-S475 WeakPolarHBondContact O-CB 3.31Å; G472-S475 PolarHBondContact O-N 3.49Å; G472-S475 VanDerWaalsContact O-N 3.07Å; E473-S475 VanDerWaalsContact C-N 3.26Å; E473-S475 PolarHBondContact O-N 3.25Å; S475-A477 VanDerWaalsContact C-N 3.34Å; S475-N478 PolarHBondContact O-N 3.49Å; S475-L479 WeakPolarHBondContact O-CB 3.39Å; S475-L479 PolarHBondContact O-N 2.82Å
476	V	97.8	Very high	95.6	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-40.8	174.7	179.8	0	0	0	0	110.8	Y37 I217 I226 G472 E473 L479 D480	Y37-V476 HydrophobicContact CD2-CG1 3.65Å; Y37-V476 HydrophobicContact CE2-CG1 4.26Å; Y37-V476 HydrophobicContact CG-CG1 3.97Å; I217-V476 HydrophobicContact CD1-CG2 3.95Å; I226-V476 HydrophobicContact CG2-CG2 4.02Å; G472-V476 PolarHBondContact O-N 2.89Å; E473-V476 PolarHBondContact O-N 3.38Å; V476-L479 PolarHBondContact O-N 3.23Å; V476-D480 PolarHBondContact O-N 2.84Å
477	A	97.2	Very high	95.9	Very high	21 Å²	21	48.9 Å²	48.9	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-39.9	175	0	0	0	0	0	112.4	Y25 E473 A474 S475 K481	Y25-A477 WeakPolarHBondContact OH-CB 3.46Å; E473-A477 WeakPolarHBondContact O-CB 3.23Å; E473-A477 PolarHBondContact O-N 2.92Å; A474-A477 PolarHBondContact O-N 3Å; S475-A477 VanDerWaalsContact C-N 3.34Å; A477-K481 VanDerWaalsContact O-CB 3.3Å; A477-K481 WeakPolarHBondContact O-CB 3.12Å; A477-K481 PolarHBondContact O-N 3.37Å
478	N	97.8	Very high	96.2	Very high	45 Å²	45	50 Å²	50	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-47.9	172.6	178.2	58.6	0	0	0	111.5	A474 S475 D480 K481 V482 Q552	A474-N478 PolarHBondContact O-N 2.78Å; S475-N478 PolarHBondContact O-N 3.49Å; N478-D480 VanDerWaalsContact C-N 3.33Å; N478-D480 PolarHBondContact O-N 2.7Å; N478-K481 PolarHBondContact O-N 3.29Å; N478-V482 VanDerWaalsContact O-CG2 3.28Å; N478-V482 WeakPolarHBondContact O-CG2 3.48Å; N478-V482 PolarHBondContact O-N 3.23Å; N478-Q552 PolarHBondContact ND2-OE1 3.01Å; N478-Q552 PolarHBondContact OD1-NE2 3.47Å
479	L	98	Very high	96.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.1	-48.8	177.7	178.8	152	0	0	0	111.3	Y37 M204 L219 I226 S475 V476 V482 R483 L539 L545	Y37-L479 HydrophobicContact CD1-CD2 4.36Å; Y37-L479 HydrophobicContact CE1-CD2 3.53Å; M204-L479 HydrophobicContact CE-CD1 4.38Å; M204-L479 HydrophobicContact SD-CB 4.18Å; M204-L479 HydrophobicContact SD-CD1 3.53Å; M204-L479 VanDerWaalsContact SD-CD1 3.53Å; M204-L479 HydrophobicContact SD-CG 4.48Å; L219-L479 HydrophobicContact CB-CD1 4.27Å; L219-L479 HydrophobicContact CD1-CD1 4.11Å; L219-L479 HydrophobicContact CD2-CD1 3.97Å; L219-L479 HydrophobicContact CG-CD1 4.34Å; I226-L479 HydrophobicContact CD1-CD1 3.91Å; S475-L479 WeakPolarHBondContact O-CB 3.39Å; S475-L479 PolarHBondContact O-N 2.82Å; V476-L479 PolarHBondContact O-N 3.23Å; L479-V482 PolarHBondContact O-N 2.83Å; L479-R483 VanDerWaalsContact O-CB 3.28Å; L479-R483 WeakPolarHBondContact O-CB 3.37Å; L479-R483 PolarHBondContact O-N 2.81Å; L479-L539 HydrophobicContact CD2-CD2 4.29Å; L479-L545 HydrophobicContact CD2-CD2 4.34Å; L479-L545 HydrophobicContact CG-CD2 4.22Å
480	D	97.5	Very high	96.9	Very high	39 Å²	39	45.2 Å²	45.2	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-43.4	179.6	-172.8	81.2	0	0	0	112.1	M33 Y37 V476 N478 V482 R483 N484	M33-D480 HydrophobicContact CE-CB 3.45Å; M33-D480 VanDerWaalsContact CE-CB 3.45Å; Y37-D480 HydrophobicContact CE2-CB 3.91Å; Y37-D480 WeakPolarHBondContact CE2-OD1 3.28Å; Y37-D480 PolarHBondContact OH-OD1 3.4Å; V476-D480 PolarHBondContact O-N 2.84Å; N478-D480 VanDerWaalsContact C-N 3.33Å; N478-D480 PolarHBondContact O-N 2.7Å; D480-V482 VanDerWaalsContact C-N 3.35Å; D480-V482 PolarHBondContact O-N 3.25Å; D480-R483 PolarHBondContact O-N 3.4Å; D480-N484 VanDerWaalsContact CG-ND2 3.35Å; D480-N484 WeakPolarHBondContact O-CB 3.28Å; D480-N484 PolarHBondContact O-N 3.43Å; D480-N484 PolarHBondContact O-ND2 3.5Å; D480-N484 PolarHBondContact OD1-ND2 2.96Å; D480-N484 PolarHBondContact OD2-ND2 2.75Å
481	K	96.8	Very high	97.2	Very high	120 Å²	120	40.9 Å²	40.9	52%	0.522	24%	0.244	S	C	.	.	H	α-helix	trans	-58.1	-46.6	175.5	179.8	-173.4	173.9	-174.3	0	111.5	A477 N478 N484 A485	A477-K481 VanDerWaalsContact O-CB 3.3Å; A477-K481 WeakPolarHBondContact O-CB 3.12Å; A477-K481 PolarHBondContact O-N 3.37Å; N478-K481 PolarHBondContact O-N 3.29Å; K481-N484 CarbonylContact O-C 3.59Å; K481-N484 PolarHBondContact O-N 2.96Å; K481-A485 PolarHBondContact O-N 3.41Å; K481-A485 VanDerWaalsContact O-N 3.09Å
482	V	97.8	Very high	97.3	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-66.4	-49.3	-179.3	174.4	0	0	0	0	110.3	N478 L479 D480 N484 A485 I532 L534 L545 A548 L549	N478-V482 VanDerWaalsContact O-CG2 3.28Å; N478-V482 WeakPolarHBondContact O-CG2 3.48Å; N478-V482 PolarHBondContact O-N 3.23Å; L479-V482 PolarHBondContact O-N 2.83Å; D480-V482 VanDerWaalsContact C-N 3.35Å; D480-V482 PolarHBondContact O-N 3.25Å; V482-N484 PolarHBondContact O-N 3Å; V482-A485 WeakPolarHBondContact O-CB 3.3Å; V482-A485 PolarHBondContact O-N 3.06Å; V482-I532 HydrophobicContact CG1-CD1 4.28Å; V482-L534 HydrophobicContact CG1-CD1 4.16Å; V482-L534 HydrophobicContact CG1-CD2 3.99Å; V482-L534 WeakPolarHBondContact O-CD2 3.44Å; V482-L545 HydrophobicContact CB-CD1 3.98Å; V482-L545 HydrophobicContact CG1-CD1 3.63Å; V482-A548 HydrophobicContact CG1-CB 3.53Å; V482-L549 HydrophobicContact CG2-CD2 4.34Å
483	R	97.4	Very high	97.5	Very high	51 Å²	51	46.4 Å²	46.4	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-53.8	-39.1	177.3	-179.5	-179	171.7	-150.6	-2.9	112.3	Y37 L479 D480 R537 S538 L545	Y37-R483 PolarHBondContact OH-NH1 3.38Å; Y37-R483 VanDerWaalsContact OH-NH1 3.16Å; L479-R483 VanDerWaalsContact O-CB 3.28Å; L479-R483 WeakPolarHBondContact O-CB 3.37Å; L479-R483 PolarHBondContact O-N 2.81Å; D480-R483 PolarHBondContact O-N 3.4Å; R483-R537 PolarHBondContact NE-O 3.31Å; R483-R537 PolarHBondContact NH2-O 2.82Å; R483-R537 VanDerWaalsContact O-CD 3.29Å; R483-R537 WeakPolarHBondContact O-CD 3.39Å; R483-R537 PolarHBondContact O-NH1 3.29Å; R483-S538 PolarHBondContact NE-O 3.15Å; R483-L545 HydrophobicContact CB-CD1 3.97Å; R483-L545 HydrophobicContact CB-CD2 4.07Å; R483-L545 HydrophobicContact CG-CD2 4.3Å
484	N	96.8	Very high	97.6	Very high	71 Å²	71	44.4 Å²	44.4	38%	0.38	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	11.6	-179.2	-65.6	-55.6	0	0	0	113.8	D480 K481 V482 K486	D480-N484 VanDerWaalsContact CG-ND2 3.35Å; D480-N484 WeakPolarHBondContact O-CB 3.28Å; D480-N484 PolarHBondContact O-N 3.43Å; D480-N484 PolarHBondContact O-ND2 3.5Å; D480-N484 PolarHBondContact OD1-ND2 2.96Å; D480-N484 PolarHBondContact OD2-ND2 2.75Å; K481-N484 CarbonylContact O-C 3.59Å; K481-N484 PolarHBondContact O-N 2.96Å; V482-N484 PolarHBondContact O-N 3Å; N484-K486 PolarHBondContact O-N 2.84Å
485	A	97.9	Very high	97.8	Very high	16 Å²	16	43.2 Å²	43.2	13%	0.132	25%	0.247	C	C	.	.			trans	-67.7	130.5	-177.3	0	0	0	0	0	112	K481 V482 I532 L534 R537	K481-A485 PolarHBondContact O-N 3.41Å; K481-A485 VanDerWaalsContact O-N 3.09Å; V482-A485 WeakPolarHBondContact O-CB 3.3Å; V482-A485 PolarHBondContact O-N 3.06Å; A485-I532 HydrophobicContact CB-CG1 4.06Å; A485-I532 VanDerWaalsContact CB-O 3.31Å; A485-I532 WeakPolarHBondContact CB-O 3.31Å; A485-L534 HydrophobicContact CB-CD1 4.3Å; A485-L534 PolarHBondContact O-N 3.29Å; A485-R537 PolarHBondContact O-NH1 3.07Å; A485-R537 PolarHBondContact O-NH2 3.32Å; A485-R537 VanDerWaalsContact O-NH2 3.11Å
486	K	97.3	Very high	97.9	Very high	176 Å²	176	45.9 Å²	45.9	77%	0.765	26%	0.261	S	S	*	.	B	Isolated β-bridge	trans	-127	27.9	-174.2	-65.3	176.8	-175.7	179.4	0	112.5	N484	N484-K486 PolarHBondContact O-N 2.84Å
487	G	97.6	Very high	97.9	Very high	21 Å²	21	50 Å²	50	22%	0.216	28%	0.278	C	S	.	.			trans	-71.3	-166.9	-179.1	0	0	0	0	0	113.8	D531 I532 K533	G487-D531 CarbonylContact C-O 3.37Å; G487-D531 WeakPolarHBondContact CA-O 3.27Å; G487-D531 WeakPolarHBondContact CA-OD1 3.15Å; G487-I532 WeakPolarHBondContact CA-O 3.43Å; G487-I532 PolarHBondContact N-O 3.41Å; G487-K533 WeakPolarHBondContact O-CB 3.4Å
488	G	97.6	Very high	98	Very high	63 Å²	63	49 Å²	49	65%	0.649	27%	0.27	S	S	*	.	S	Bend	trans	-90.6	-16.5	-177.7	0	0	0	0	0	115.7	D531	G488-D531 PolarHBondContact N-O 3.19Å; G488-D531 PolarHBondContact N-OD1 3.44Å; G488-D531 VanDerWaalsContact N-OD1 3.1Å; G488-D531 PolarHBondContact N-OD2 2.81Å
489	I	98.2	Very high	98	Very high	26 Å²	26	47.9 Å²	47.9	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.2	-164.9	-54	171	0	0	0	110.8	D493 L494 Q528 D531 I532 K533	I489-D493 HydrophobicContact CG2-CB 4.35Å; I489-L494 HydrophobicContact CG2-CB 3.92Å; I489-Q528 HydrophobicContact CD1-CB 3.77Å; I489-Q528 HydrophobicContact CD1-CG 3.76Å; I489-D531 HydrophobicContact CD1-CB 4.43Å; I489-D531 PolarHBondContact N-O 3.25Å; I489-D531 VanDerWaalsContact N-O 3.09Å; I489-I532 CarbonylContact O-C 3.44Å; I489-I532 VanDerWaalsContact O-CA 3.23Å; I489-I532 WeakPolarHBondContact O-CA 3.44Å; I489-K533 PolarHBondContact O-N 2.97Å
490	S	98.2	Very high	98	Very high	40 Å²	40	52.3 Å²	52.3	28%	0.28	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	152.7	175.5	79.9	0	0	0	0	112	A492 D493 L494	S490-A492 VanDerWaalsContact C-N 3.25Å; S490-A492 PolarHBondContact O-N 3.3Å; S490-D493 PolarHBondContact O-N 3.33Å; S490-D493 WeakPolarHBondContact OG-CB 3.06Å; S490-D493 PolarHBondContact OG-N 3.24Å; S490-D493 PolarHBondContact OG-OD2 2.85Å; S490-L494 PolarHBondContact O-N 3.09Å; S490-L494 VanDerWaalsContact O-N 3.1Å
491	V	98.3	Very high	98.1	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	28%	0.277	C	S	.	.	H	α-helix	trans	-56.3	-42.3	174.7	177.7	0	0	0	0	110.9	R495 L534 A548 L551	V491-R495 VanDerWaalsContact O-CB 3.28Å; V491-R495 WeakPolarHBondContact O-CB 3.24Å; V491-R495 PolarHBondContact O-N 2.6Å; V491-L534 HydrophobicContact CG2-CD1 3.76Å; V491-L534 HydrophobicContact CG2-CG 4.24Å; V491-A548 HydrophobicContact CG1-CB 4.35Å; V491-A548 HydrophobicContact CG2-CB 3.76Å; V491-L551 HydrophobicContact CG1-CB 4.33Å; V491-L551 HydrophobicContact CG1-CD2 3.95Å
492	A	98.2	Very high	98.2	Very high	61 Å²	61	45.4 Å²	45.4	50%	0.504	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-44.3	179.2	0	0	0	0	0	112.6	S490 R495 L496	S490-A492 VanDerWaalsContact C-N 3.25Å; S490-A492 PolarHBondContact O-N 3.3Å; A492-R495 PolarHBondContact O-N 2.96Å; A492-L496 WeakPolarHBondContact O-CB 3.45Å; A492-L496 PolarHBondContact O-N 3.1Å
493	D	98.5	Very high	98.2	Very high	90 Å²	90	47.5 Å²	47.5	48%	0.481	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-44.7	179.6	-67	-39.6	0	0	0	111.4	I489 S490 L496 K497	I489-D493 HydrophobicContact CG2-CB 4.35Å; S490-D493 PolarHBondContact O-N 3.33Å; S490-D493 WeakPolarHBondContact OG-CB 3.06Å; S490-D493 PolarHBondContact OG-N 3.24Å; S490-D493 PolarHBondContact OG-OD2 2.85Å; D493-L496 PolarHBondContact O-N 3.48Å; D493-K497 WeakPolarHBondContact O-CG 3.1Å; D493-K497 PolarHBondContact O-N 3.12Å
494	L	98.6	Very high	98.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-40.3	179.5	-173.5	59.8	0	0	0	111.6	I489 S490 L496 K497 M498 V525 Q528 I529 I532 L551 L555	I489-L494 HydrophobicContact CG2-CB 3.92Å; S490-L494 PolarHBondContact O-N 3.09Å; S490-L494 VanDerWaalsContact O-N 3.1Å; L494-L496 PolarHBondContact O-N 3.07Å; L494-K497 PolarHBondContact O-N 3.24Å; L494-M498 PolarHBondContact O-N 3.46Å; L494-V525 HydrophobicContact CD1-CG1 3.7Å; L494-V525 HydrophobicContact CG-CG1 4.47Å; L494-Q528 HydrophobicContact CD1-CB 3.66Å; L494-Q528 HydrophobicContact CD2-CB 4.32Å; L494-I529 HydrophobicContact CD2-CB 4.27Å; L494-I529 HydrophobicContact CD2-CD1 3.84Å; L494-I532 HydrophobicContact CD2-CG2 3.63Å; L494-L551 HydrophobicContact CB-CD2 3.98Å; L494-L551 HydrophobicContact CD2-CD2 3.99Å; L494-L551 HydrophobicContact CG-CD2 4.08Å; L494-L555 HydrophobicContact CD2-CD1 4.49Å
495	R	98.8	Very high	98.3	Very high	43 Å²	43	48 Å²	48	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-46.1	173.5	-174.4	-175	-62.9	144	-4	111.5	V491 A492 K497 M498 Q499 E547 L551	V491-R495 VanDerWaalsContact O-CB 3.28Å; V491-R495 WeakPolarHBondContact O-CB 3.24Å; V491-R495 PolarHBondContact O-N 2.6Å; A492-R495 PolarHBondContact O-N 2.96Å; R495-K497 VanDerWaalsContact C-N 3.34Å; R495-K497 PolarHBondContact O-N 2.81Å; R495-M498 HydrophobicContact CG-CE 4.29Å; R495-M498 WeakPolarHBondContact O-CB 3.13Å; R495-M498 PolarHBondContact O-N 3.37Å; R495-Q499 HydrophobicContact CG-CG 4.44Å; R495-Q499 WeakPolarHBondContact O-CB 3.17Å; R495-Q499 VanDerWaalsContact O-CG 3.31Å; R495-Q499 WeakPolarHBondContact O-CG 3.25Å; R495-Q499 PolarHBondContact O-N 3.45Å; R495-E547 IonicContact CZ-OE2 2.79Å; R495-E547 VanDerWaalsContact CZ-OE2 3.28Å; R495-E547 IonicContact NH1-OE2 2.74Å; R495-E547 PolarHBondContact NH1-OE2 3.11Å; R495-E547 VanDerWaalsContact NH2-CB 3.25Å; R495-E547 PolarHBondContact NH2-O 2.9Å; R495-E547 IonicContact NH2-OE2 3.57Å; R495-E547 PolarHBondContact NH2-OE2 3.19Å; R495-L551 HydrophobicContact CB-CD1 3.9Å; R495-L551 HydrophobicContact CG-CD1 4.26Å
496	L	98.7	Very high	98.3	Very high	65 Å²	65	47.2 Å²	47.2	34%	0.34	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-40	179.3	-176.1	62.2	0	0	0	111.8	F246 A492 D493 L494 Q499 K500	F246-L496 HydrophobicContact CD2-CD1 3.77Å; F246-L496 HydrophobicContact CE2-CD1 3.67Å; A492-L496 WeakPolarHBondContact O-CB 3.45Å; A492-L496 PolarHBondContact O-N 3.1Å; D493-L496 PolarHBondContact O-N 3.48Å; L494-L496 PolarHBondContact O-N 3.07Å; L496-Q499 PolarHBondContact O-N 3.19Å; L496-K500 HydrophobicContact CD1-CD 4.39Å; L496-K500 HydrophobicContact CD1-CG 4.24Å; L496-K500 HydrophobicContact CG-CD 4.34Å; L496-K500 WeakPolarHBondContact O-CG 3.29Å; L496-K500 PolarHBondContact O-N 2.88Å
497	K	98.5	Very high	98.2	Very high	90 Å²	90	40.5 Å²	40.5	39%	0.391	23%	0.232	S	C	.	.	H	α-helix	trans	-59	-48	174.5	-72.6	177.1	-172.2	-179.5	0	111.6	D493 L494 R495 T501 V525	D493-K497 WeakPolarHBondContact O-CG 3.1Å; D493-K497 PolarHBondContact O-N 3.12Å; L494-K497 PolarHBondContact O-N 3.24Å; R495-K497 VanDerWaalsContact C-N 3.34Å; R495-K497 PolarHBondContact O-N 2.81Å; K497-T501 WeakPolarHBondContact O-CB 3.43Å; K497-T501 PolarHBondContact O-N 3.09Å; K497-T501 PolarHBondContact O-OG1 2.74Å; K497-V525 HydrophobicContact CB-CG2 4.4Å
498	M	98.8	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-51.4	175	174.1	-166.4	68	0	0	111.1	L494 R495 K500 T501 M502 M522 V525 L551 L554 L555 A558	L494-M498 PolarHBondContact O-N 3.46Å; R495-M498 HydrophobicContact CG-CE 4.29Å; R495-M498 WeakPolarHBondContact O-CB 3.13Å; R495-M498 PolarHBondContact O-N 3.37Å; M498-K500 PolarHBondContact O-N 3.34Å; M498-T501 WeakPolarHBondContact O-CB 3.4Å; M498-T501 PolarHBondContact O-N 3.36Å; M498-M502 PolarHBondContact O-N 3.11Å; M498-M522 HydrophobicContact CG-CE 3.96Å; M498-M522 HydrophobicContact CG-SD 4.13Å; M498-V525 HydrophobicContact CB-CG1 4.01Å; M498-L551 HydrophobicContact CE-CD1 4.27Å; M498-L551 HydrophobicContact SD-CD1 4.39Å; M498-L554 HydrophobicContact CE-CB 3.76Å; M498-L554 HydrophobicContact CE-CD1 4Å; M498-L554 HydrophobicContact CE-CG 4.37Å; M498-L554 HydrophobicContact SD-CB 3.78Å; M498-L555 HydrophobicContact CB-CD2 4.13Å; M498-L555 HydrophobicContact CG-CD2 4.02Å; M498-L555 HydrophobicContact SD-CD2 3.78Å; M498-L555 HydrophobicContact SD-CG 4.1Å; M498-A558 HydrophobicContact CG-CB 4.08Å; M498-A558 HydrophobicContact SD-CB 4.04Å
499	Q	98.8	Very high	98.1	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-45.2	-176.2	-78.4	175.5	-20.4	0	0	113.2	R243 A244 F246 R495 L496 Q503	R243-Q499 WeakPolarHBondContact O-CG 3.48Å; R243-Q499 PolarHBondContact O-NE2 3.08Å; A244-Q499 WeakPolarHBondContact O-CA 3.44Å; F246-Q499 HydrophobicContact CB-CB 4.1Å; F246-Q499 PolarHBondContact N-O 3.44Å; R495-Q499 HydrophobicContact CG-CG 4.44Å; R495-Q499 WeakPolarHBondContact O-CB 3.17Å; R495-Q499 VanDerWaalsContact O-CG 3.31Å; R495-Q499 WeakPolarHBondContact O-CG 3.25Å; R495-Q499 PolarHBondContact O-N 3.45Å; L496-Q499 PolarHBondContact O-N 3.19Å; Q499-Q503 WeakPolarHBondContact O-CB 3.33Å; Q499-Q503 PolarHBondContact O-N 3.37Å
500	K	98.6	Very high	98.1	Very high	94 Å²	94	38 Å²	38	41%	0.409	20%	0.198	S	C	.	.	H	α-helix	trans	-65.8	-42.5	175.6	-71.9	-174.5	175.4	-174.8	0	111.6	F246 L496 M498 M502 Q503 E504	F246-K500 HydrophobicContact CD2-CG 4.4Å; L496-K500 HydrophobicContact CD1-CD 4.39Å; L496-K500 HydrophobicContact CD1-CG 4.24Å; L496-K500 HydrophobicContact CG-CD 4.34Å; L496-K500 WeakPolarHBondContact O-CG 3.29Å; L496-K500 PolarHBondContact O-N 2.88Å; M498-K500 PolarHBondContact O-N 3.34Å; K500-M502 PolarHBondContact O-N 3.03Å; K500-Q503 PolarHBondContact O-N 2.73Å; K500-E504 WeakPolarHBondContact O-CB 3.4Å; K500-E504 VanDerWaalsContact O-CG 3.32Å; K500-E504 WeakPolarHBondContact O-CG 3.33Å; K500-E504 PolarHBondContact O-N 3.46Å
501	T	98.6	Very high	98.1	Very high	13 Å²	13	37.3 Å²	37.3	8%	0.08	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-47.6	177.2	-56	0	0	0	0	111.2	K497 M498 E504 H505 K521 M522	K497-T501 WeakPolarHBondContact O-CB 3.43Å; K497-T501 PolarHBondContact O-N 3.09Å; K497-T501 PolarHBondContact O-OG1 2.74Å; M498-T501 WeakPolarHBondContact O-CB 3.4Å; M498-T501 PolarHBondContact O-N 3.36Å; T501-E504 PolarHBondContact O-N 3.13Å; T501-H505 VanDerWaalsContact O-CB 3.31Å; T501-H505 WeakPolarHBondContact O-CB 3.41Å; T501-H505 PolarHBondContact O-CD2 2.96Å; T501-H505 VanDerWaalsContact O-CD2 3.27Å; T501-H505 PolarHBondContact O-N 2.95Å; T501-K521 HydrophobicContact CG2-CB 3.68Å; T501-K521 HydrophobicContact CG2-CD 4.38Å; T501-M522 HydrophobicContact CG2-CG 3.72Å; T501-M522 HydrophobicContact CG2-SD 3.87Å
502	M	98.7	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-40.8	177	-69.9	-59.2	-67	0	0	112.4	A244 Y245 M498 K500 E504 A506 M522 A558 T561 I562	A244-M502 WeakPolarHBondContact O-CB 3.32Å; A244-M502 WeakPolarHBondContact O-CG 3.46Å; Y245-M502 HydrophobicContact CD1-CB 3.91Å; Y245-M502 HydrophobicContact CD2-CB 4.46Å; Y245-M502 HydrophobicContact CE1-CB 3.95Å; Y245-M502 VanDerWaalsContact CE1-O 3.31Å; Y245-M502 WeakPolarHBondContact CE1-O 3.46Å; Y245-M502 HydrophobicContact CE2-CB 4.48Å; Y245-M502 HydrophobicContact CE2-CE 3.96Å; Y245-M502 HydrophobicContact CG-CB 4.19Å; M498-M502 PolarHBondContact O-N 3.11Å; K500-M502 PolarHBondContact O-N 3.03Å; M502-E504 PolarHBondContact O-N 3.2Å; M502-A506 HydrophobicContact CE-CB 3.96Å; M502-A506 CarbonylContact O-C 3.59Å; M502-A506 WeakPolarHBondContact O-CA 3.5Å; M502-A506 WeakPolarHBondContact O-CB 3.36Å; M502-A506 PolarHBondContact O-N 2.83Å; M502-M522 HydrophobicContact CG-SD 4.18Å; M502-M522 HydrophobicContact SD-CG 4.11Å; M502-M522 HydrophobicContact SD-SD 4.14Å; M502-A558 HydrophobicContact CG-CB 4.02Å; M502-A558 HydrophobicContact SD-CB 3.98Å; M502-T561 HydrophobicContact CE-CG2 3.61Å; M502-I562 HydrophobicContact CE-CB 4.41Å; M502-I562 HydrophobicContact SD-CB 4.12Å; M502-I562 HydrophobicContact SD-CD1 4.26Å
503	Q	98	Very high	98	Very high	49 Å²	49	39.7 Å²	39.7	23%	0.229	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-39.8	179.4	-166.8	69.5	56.3	0	0	112.6	F246 Q499 K500 S507	F246-Q503 HydrophobicContact CB-CB 3.99Å; F246-Q503 HydrophobicContact CB-CG 4.17Å; Q499-Q503 WeakPolarHBondContact O-CB 3.33Å; Q499-Q503 PolarHBondContact O-N 3.37Å; K500-Q503 PolarHBondContact O-N 2.73Å; Q503-S507 WeakPolarHBondContact O-CB 3.26Å
504	E	97.3	Very high	97.9	Very high	121 Å²	121	38.8 Å²	38.8	57%	0.565	20%	0.196	S	C	*	.	H	α-helix	trans	-79.2	-38.9	-178.4	-70.6	167.7	-164.6	0	0	111.9	K500 T501 M502	K500-E504 WeakPolarHBondContact O-CB 3.4Å; K500-E504 VanDerWaalsContact O-CG 3.32Å; K500-E504 WeakPolarHBondContact O-CG 3.33Å; K500-E504 PolarHBondContact O-N 3.46Å; T501-E504 PolarHBondContact O-N 3.13Å; M502-E504 PolarHBondContact O-N 3.2Å
505	H	98.4	Very high	97.9	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.051	20%	0.196	C	C	.	.	H	α-helix	trans	-103.9	-16.4	-169.4	-64.8	-81.9	0	0	0	115.3	T501 I514 L515 E517 G518 K521 I562	T501-H505 VanDerWaalsContact O-CB 3.31Å; T501-H505 WeakPolarHBondContact O-CB 3.41Å; T501-H505 PolarHBondContact O-CD2 2.96Å; T501-H505 VanDerWaalsContact O-CD2 3.27Å; T501-H505 PolarHBondContact O-N 2.95Å; H505-I514 HydrophobicContact CB-CG2 4.17Å; H505-I514 PolarHBondContact ND1-O 2.89Å; H505-L515 WeakPolarHBondContact O-CD2 3.48Å; H505-E517 VanDerWaalsContact CE1-CD 3.41Å; H505-E517 IonicContact CE1-OE1 3.38Å; H505-E517 IonicContact CE1-OE2 3.64Å; H505-G518 VanDerWaalsContact CG-CA 3.46Å; H505-K521 WeakPolarHBondContact NE2-CD 3.31Å; H505-K521 PolarHBondContact NE2-NZ 2.84Å; H505-I562 HydrophobicContact CB-CD1 3.89Å
506	A	97.9	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-134.2	43.5	-175.6	0	0	0	0	0	113	Y245 M502 I562	Y245-A506 HydrophobicContact CE1-CB 4.47Å; Y245-A506 VanDerWaalsContact CE1-O 3.29Å; Y245-A506 WeakPolarHBondContact CE1-O 3.41Å; Y245-A506 PolarHBondContact OH-O 3.46Å; M502-A506 HydrophobicContact CE-CB 3.96Å; M502-A506 CarbonylContact O-C 3.59Å; M502-A506 WeakPolarHBondContact O-CA 3.5Å; M502-A506 WeakPolarHBondContact O-CB 3.36Å; M502-A506 PolarHBondContact O-N 2.83Å; A506-I562 HydrophobicContact CB-CD1 4.18Å; A506-I562 HydrophobicContact CB-CG1 4.28Å
507	S	95.7	Very high	97.9	Very high	35 Å²	35	41.7 Å²	41.7	25%	0.245	21%	0.212	C	C	.	.	S	Bend	trans	-82	-158.4	179.5	-162.9	0	0	0	0	113.4	Q503 R510	Q503-S507 WeakPolarHBondContact O-CB 3.26Å; S507-R510 WeakPolarHBondContact O-CG 3.11Å; S507-R510 PolarHBondContact O-NE 3.32Å
508	V	96.4	Very high	97.9	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.067	19%	0.194	C	C	.	.	S	Bend	trans	-59	-50.9	-179.4	176.4	0	0	0	0	112.1	F277 R327 A330 P386	F277-V508 HydrophobicContact CB-CG2 4.02Å; F277-V508 HydrophobicContact CD1-CG2 3.69Å; F277-V508 HydrophobicContact CD2-CG2 3.93Å; F277-V508 HydrophobicContact CE1-CG2 4.13Å; F277-V508 HydrophobicContact CE2-CG2 4.38Å; F277-V508 HydrophobicContact CG-CG2 3.6Å; F277-V508 HydrophobicContact CZ-CG2 4.48Å; R327-V508 HydrophobicContact CG-CG1 3.81Å; A330-V508 HydrophobicContact CB-CG1 4.21Å; P386-V508 HydrophobicContact CB-CG2 4.12Å
509	F	96.6	Very high	97.9	Very high	45 Å²	45	38.2 Å²	38.2	20%	0.197	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.4	173.2	-72.5	-71.8	0	0	0	109.8	R327 A330 I331 A576 E578	R327-F509 HydrophobicContact CB-CE1 4.46Å; R327-F509 HydrophobicContact CB-CE2 4.34Å; R327-F509 HydrophobicContact CB-CZ 3.78Å; R327-F509 HydrophobicContact CG-CE1 3.97Å; R327-F509 HydrophobicContact CG-CE2 4.3Å; R327-F509 HydrophobicContact CG-CZ 3.71Å; A330-F509 HydrophobicContact CB-CD2 4.06Å; A330-F509 HydrophobicContact CB-CE2 3.78Å; I331-F509 HydrophobicContact CD1-CE2 4.48Å; I331-F509 HydrophobicContact CD1-CZ 3.87Å; I331-F509 HydrophobicContact CG1-CE2 3.82Å; I331-F509 HydrophobicContact CG1-CZ 3.68Å; F509-A576 HydrophobicContact CD1-CB 4.18Å; F509-A576 HydrophobicContact CE1-CB 4.41Å; F509-E578 HydrophobicContact CB-CG 4.31Å; F509-E578 HydrophobicContact CD1-CG 3.93Å; F509-E578 HydrophobicContact CG-CG 4.44Å
510	R	98.1	Very high	97.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.4	-175.1	-53.6	173.8	-171.5	175.4	7.6	109.7	E273 S507 L515 H575 A576 R577 E578	E273-R510 PolarHBondContact O-NH1 3.28Å; E273-R510 PolarHBondContact O-NH2 3.44Å; S507-R510 WeakPolarHBondContact O-CG 3.11Å; S507-R510 PolarHBondContact O-NE 3.32Å; R510-L515 HydrophobicContact CB-CD1 3.85Å; R510-L515 HydrophobicContact CB-CD2 4.41Å; R510-L515 HydrophobicContact CB-CG 4.14Å; R510-H575 PolarHBondContact NH1-ND1 3.12Å; R510-A576 PolarHBondContact N-O 2.73Å; R510-R577 CarbonylContact O-C 3.12Å; R510-R577 VanDerWaalsContact O-CA 3.31Å; R510-R577 WeakPolarHBondContact O-CA 3.16Å; R510-E578 PolarHBondContact O-N 3.33Å
511	T	97.7	Very high	97.9	Very high	26 Å²	26	43.1 Å²	43.1	16%	0.16	22%	0.22	C	C	.	.			trans	-138.6	155.2	171.4	53.2	0	0	0	0	109.3	T513 I514 L515 E578	T511-T513 VanDerWaalsContact C-N 3.31Å; T511-T513 PolarHBondContact O-N 3.38Å; T511-I514 PolarHBondContact O-N 2.98Å; T511-I514 WeakPolarHBondContact OG1-CB 3.4Å; T511-I514 WeakPolarHBondContact OG1-CD1 3.31Å; T511-I514 VanDerWaalsContact OG1-CG1 3.27Å; T511-I514 WeakPolarHBondContact OG1-CG1 3.31Å; T511-L515 WeakPolarHBondContact O-CB 3.29Å; T511-L515 WeakPolarHBondContact O-CG 3.5Å; T511-L515 PolarHBondContact O-N 3.15Å; T511-E578 HydrophobicContact CG2-CB 3.85Å
512	G	97.1	Very high	97.9	Very high	8 Å²	8	42.5 Å²	42.5	8%	0.082	22%	0.217	C	C	.	.	H	α-helix	trans	-55	-44.8	-180	0	0	0	0	0	113.1	I514 L515 D516 R577 D579	G512-I514 PolarHBondContact O-N 3.31Å; G512-L515 PolarHBondContact O-N 3.37Å; G512-D516 WeakPolarHBondContact O-CB 3.37Å; G512-D516 PolarHBondContact O-N 3.5Å; G512-R577 VanDerWaalsContact CA-NH2 3.32Å; G512-D579 WeakPolarHBondContact CA-OD2 3.39Å; G512-D579 PolarHBondContact N-OD1 2.91Å; G512-D579 PolarHBondContact N-OD2 3.24Å
513	T	97.6	Very high	97.8	Very high	109 Å²	109	44 Å²	44	67%	0.669	22%	0.223	S	C	*	.	H	α-helix	trans	-62.5	-45.6	-179.8	50.6	0	0	0	0	112.8	T511 E517	T511-T513 VanDerWaalsContact C-N 3.31Å; T511-T513 PolarHBondContact O-N 3.38Å; T513-E517 PolarHBondContact O-N 3.28Å; T513-E517 VanDerWaalsContact O-N 3.11Å
514	I	98	Very high	97.8	Very high	70 Å²	70	45.6 Å²	45.6	36%	0.359	23%	0.233	S	C	.	.	H	α-helix	trans	-66.9	-41	178.9	-67.2	176.8	0	0	0	110.7	H505 T511 G512 G518	H505-I514 HydrophobicContact CB-CG2 4.17Å; H505-I514 PolarHBondContact ND1-O 2.89Å; T511-I514 PolarHBondContact O-N 2.98Å; T511-I514 WeakPolarHBondContact OG1-CB 3.4Å; T511-I514 WeakPolarHBondContact OG1-CD1 3.31Å; T511-I514 VanDerWaalsContact OG1-CG1 3.27Å; T511-I514 WeakPolarHBondContact OG1-CG1 3.31Å; G512-I514 PolarHBondContact O-N 3.31Å; I514-G518 PolarHBondContact O-N 3.22Å
515	L	98.6	Very high	97.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-42.4	177.8	-75.9	168.5	0	0	0	112.1	H505 R510 T511 G512 G518 C519 I562 A565	H505-L515 WeakPolarHBondContact O-CD2 3.48Å; R510-L515 HydrophobicContact CB-CD1 3.85Å; R510-L515 HydrophobicContact CB-CD2 4.41Å; R510-L515 HydrophobicContact CB-CG 4.14Å; T511-L515 WeakPolarHBondContact O-CB 3.29Å; T511-L515 WeakPolarHBondContact O-CG 3.5Å; T511-L515 PolarHBondContact O-N 3.15Å; G512-L515 PolarHBondContact O-N 3.37Å; L515-G518 CarbonylContact O-C 3.54Å; L515-G518 PolarHBondContact O-N 2.73Å; L515-C519 PolarHBondContact O-N 2.73Å; L515-C519 PolarHBondContact O-SG 3.42Å; L515-I562 HydrophobicContact CD2-CG1 4.11Å; L515-A565 HydrophobicContact CD1-CB 4.47Å; L515-A565 HydrophobicContact CD2-CB 3.87Å
516	D	98.3	Very high	97.9	Very high	78 Å²	78	40.3 Å²	40.3	42%	0.417	21%	0.209	S	C	.	.	H	α-helix	trans	-66.3	-38.6	179.7	-70.8	-13.1	0	0	0	111.7	G512 C519 K520 S566	G512-D516 WeakPolarHBondContact O-CB 3.37Å; G512-D516 PolarHBondContact O-N 3.5Å; D516-C519 PolarHBondContact O-N 3.16Å; D516-K520 WeakPolarHBondContact O-CG 3.16Å; D516-K520 PolarHBondContact O-N 3.01Å; D516-S566 PolarHBondContact OD1-OG 3.46Å
517	E	98.5	Very high	97.9	Very high	91 Å²	91	45.9 Å²	45.9	43%	0.425	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-45.9	170.2	-171.2	-170.9	161.1	0	0	111.1	H505 T513 C519 K520 K521	H505-E517 VanDerWaalsContact CE1-CD 3.41Å; H505-E517 IonicContact CE1-OE1 3.38Å; H505-E517 IonicContact CE1-OE2 3.64Å; T513-E517 PolarHBondContact O-N 3.28Å; T513-E517 VanDerWaalsContact O-N 3.11Å; E517-C519 VanDerWaalsContact C-N 3.35Å; E517-C519 PolarHBondContact O-N 3.28Å; E517-K520 PolarHBondContact O-N 2.92Å; E517-K521 HydrophobicContact CG-CD 4.29Å; E517-K521 PolarHBondContact O-N 2.89Å; E517-K521 WeakPolarHBondContact OE1-CE 3.32Å; E517-K521 IonicContact OE1-NZ 2.71Å; E517-K521 PolarHBondContact OE1-NZ 2.83Å
518	G	98.6	Very high	98	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-40.4	177.2	0	0	0	0	0	113.1	H505 I514 L515 K521 M522	H505-G518 VanDerWaalsContact CG-CA 3.46Å; I514-G518 PolarHBondContact O-N 3.22Å; L515-G518 CarbonylContact O-C 3.54Å; L515-G518 PolarHBondContact O-N 2.73Å; G518-K521 PolarHBondContact O-N 3.45Å; G518-M522 VanDerWaalsContact O-CB 3.26Å; G518-M522 WeakPolarHBondContact O-CB 3.08Å; G518-M522 WeakPolarHBondContact O-CG 3.46Å; G518-M522 PolarHBondContact O-N 3.17Å
519	C	98.6	Very high	98	Very high	18 Å²	18	46.6 Å²	46.6	12%	0.122	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-46.4	175.4	-67.2	0	0	0	0	111	L515 D516 E517 M522 Q523 E563	L515-C519 PolarHBondContact O-N 2.73Å; L515-C519 PolarHBondContact O-SG 3.42Å; D516-C519 PolarHBondContact O-N 3.16Å; E517-C519 VanDerWaalsContact C-N 3.35Å; E517-C519 PolarHBondContact O-N 3.28Å; C519-M522 PolarHBondContact O-N 3.05Å; C519-Q523 WeakPolarHBondContact O-CB 3.49Å; C519-Q523 WeakPolarHBondContact O-CG 3.36Å; C519-Q523 PolarHBondContact O-N 3.48Å; C519-E563 HydrophobicContact CB-CG 4.46Å
520	K	98.4	Very high	98	Very high	146 Å²	146	49.7 Å²	49.7	64%	0.635	25%	0.246	S	C	*	.	H	α-helix	trans	-60.7	-49.8	176.8	-68.6	172.2	-173.9	175.5	0	111.5	D516 E517 M522 Q523 D524	D516-K520 WeakPolarHBondContact O-CG 3.16Å; D516-K520 PolarHBondContact O-N 3.01Å; E517-K520 PolarHBondContact O-N 2.92Å; K520-M522 PolarHBondContact O-N 3.13Å; K520-Q523 PolarHBondContact O-N 3.22Å; K520-D524 PolarHBondContact O-N 3.5Å
521	K	98.6	Very high	98	Very high	73 Å²	73	53.2 Å²	53.2	32%	0.317	27%	0.265	S	S	.	.	H	α-helix	trans	-59.1	-44.8	177.2	-77.4	174.5	169.2	171.4	0	111.9	T501 H505 E517 G518 Q523 D524 V525	T501-K521 HydrophobicContact CG2-CB 3.68Å; T501-K521 HydrophobicContact CG2-CD 4.38Å; H505-K521 WeakPolarHBondContact NE2-CD 3.31Å; H505-K521 PolarHBondContact NE2-NZ 2.84Å; E517-K521 HydrophobicContact CG-CD 4.29Å; E517-K521 PolarHBondContact O-N 2.89Å; E517-K521 WeakPolarHBondContact OE1-CE 3.32Å; E517-K521 IonicContact OE1-NZ 2.71Å; E517-K521 PolarHBondContact OE1-NZ 2.83Å; G518-K521 PolarHBondContact O-N 3.45Å; K521-Q523 PolarHBondContact O-N 2.73Å; K521-D524 PolarHBondContact O-N 3.3Å; K521-V525 WeakPolarHBondContact O-CG2 3.26Å; K521-V525 PolarHBondContact O-N 3.47Å
522	M	98.5	Very high	98	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-37.9	178.2	-83.6	-55.3	-50.3	0	0	112.6	M498 T501 M502 G518 C519 K520 D524 V525 Y526 L555 A558 V559 I562	M498-M522 HydrophobicContact CG-CE 3.96Å; M498-M522 HydrophobicContact CG-SD 4.13Å; T501-M522 HydrophobicContact CG2-CG 3.72Å; T501-M522 HydrophobicContact CG2-SD 3.87Å; M502-M522 HydrophobicContact CG-SD 4.18Å; M502-M522 HydrophobicContact SD-CG 4.11Å; M502-M522 HydrophobicContact SD-SD 4.14Å; G518-M522 VanDerWaalsContact O-CB 3.26Å; G518-M522 WeakPolarHBondContact O-CB 3.08Å; G518-M522 WeakPolarHBondContact O-CG 3.46Å; G518-M522 PolarHBondContact O-N 3.17Å; C519-M522 PolarHBondContact O-N 3.05Å; K520-M522 PolarHBondContact O-N 3.13Å; M522-D524 VanDerWaalsContact C-N 3.34Å; M522-V525 PolarHBondContact O-N 3.18Å; M522-Y526 WeakPolarHBondContact O-CB 3.36Å; M522-Y526 PolarHBondContact O-N 2.74Å; M522-L555 HydrophobicContact CE-CD2 4.23Å; M522-A558 HydrophobicContact CE-CB 3.51Å; M522-A558 HydrophobicContact SD-CB 4.47Å; M522-V559 HydrophobicContact CB-CG2 4.44Å; M522-V559 HydrophobicContact CE-CG2 3.96Å; M522-I562 HydrophobicContact CB-CG2 4.09Å; M522-I562 HydrophobicContact CG-CD1 4.35Å; M522-I562 HydrophobicContact CG-CG2 4.02Å
523	Q	98	Very high	98.1	Very high	31 Å²	31	56.9 Å²	56.9	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-38.5	172.1	-76.2	-65.4	-22.9	0	0	112	C519 K520 K521 Y526 K527 E563 G618	C519-Q523 WeakPolarHBondContact O-CB 3.49Å; C519-Q523 WeakPolarHBondContact O-CG 3.36Å; C519-Q523 PolarHBondContact O-N 3.48Å; K520-Q523 PolarHBondContact O-N 3.22Å; K521-Q523 PolarHBondContact O-N 2.73Å; Q523-Y526 WeakPolarHBondContact O-CB 3.33Å; Q523-Y526 PolarHBondContact O-N 3.08Å; Q523-K527 WeakPolarHBondContact O-CG 3.48Å; Q523-K527 PolarHBondContact O-N 2.79Å; Q523-K527 VanDerWaalsContact O-N 3.09Å; Q523-E563 PolarHBondContact NE2-OE1 3.04Å; Q523-G618 PolarHBondContact NE2-O 3.14Å
524	D	98	Very high	98.1	Very high	82 Å²	82	51.7 Å²	51.7	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-72.7	-34.4	176.4	-67.5	-22.2	0	0	0	112.7	K520 K521 M522 K527 Q528	K520-D524 PolarHBondContact O-N 3.5Å; K521-D524 PolarHBondContact O-N 3.3Å; M522-D524 VanDerWaalsContact C-N 3.34Å; D524-K527 IonicContact OD1-NZ 2.72Å; D524-K527 PolarHBondContact OD1-NZ 3.35Å; D524-Q528 WeakPolarHBondContact O-CG 3.46Å; D524-Q528 PolarHBondContact O-N 3.11Å; D524-Q528 PolarHBondContact O-NE2 3.22Å
525	V	98.3	Very high	98	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.048	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-42.9	169.5	175.9	0	0	0	0	110	L494 K497 M498 K521 M522 K527 Q528 L555	L494-V525 HydrophobicContact CD1-CG1 3.7Å; L494-V525 HydrophobicContact CG-CG1 4.47Å; K497-V525 HydrophobicContact CB-CG2 4.4Å; M498-V525 HydrophobicContact CB-CG1 4.01Å; K521-V525 WeakPolarHBondContact O-CG2 3.26Å; K521-V525 PolarHBondContact O-N 3.47Å; M522-V525 PolarHBondContact O-N 3.18Å; V525-K527 PolarHBondContact O-N 3.48Å; V525-Q528 WeakPolarHBondContact O-CB 3.41Å; V525-Q528 PolarHBondContact O-N 3.2Å; V525-Q528 VanDerWaalsContact O-N 3.15Å; V525-L555 HydrophobicContact CG1-CD2 3.73Å
526	Y	98.4	Very high	97.9	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-47	178	-171.7	-91.2	0	0	0	111.5	M522 Q523 Q528 I529 L555 L556 V559 M613 P615	M522-Y526 WeakPolarHBondContact O-CB 3.36Å; M522-Y526 PolarHBondContact O-N 2.74Å; Q523-Y526 WeakPolarHBondContact O-CB 3.33Å; Q523-Y526 PolarHBondContact O-N 3.08Å; Y526-Q528 PolarHBondContact O-N 2.88Å; Y526-I529 WeakPolarHBondContact O-CB 3.41Å; Y526-I529 WeakPolarHBondContact O-CG2 3.46Å; Y526-I529 PolarHBondContact O-N 3.26Å; Y526-I529 VanDerWaalsContact O-N 3.08Å; Y526-L555 HydrophobicContact CD2-CB 3.94Å; Y526-L555 HydrophobicContact CE2-CB 4.22Å; Y526-L556 HydrophobicContact CE2-CD2 3.82Å; Y526-L556 WeakPolarHBondContact OH-CD2 3.03Å; Y526-V559 HydrophobicContact CD2-CG2 4.03Å; Y526-V559 HydrophobicContact CG-CG2 4.42Å; Y526-M613 HydrophobicContact CD2-CE 3.59Å; Y526-M613 HydrophobicContact CE1-CE 4.24Å; Y526-M613 HydrophobicContact CE2-CE 3.27Å; Y526-M613 HydrophobicContact CG-CE 4.22Å; Y526-P615 WeakPolarHBondContact OH-CA 3.35Å; Y526-P615 PolarHBondContact OH-O 2.85Å
527	K	97.7	Very high	97.8	Very high	117 Å²	117	55.6 Å²	55.6	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-60.9	-29.5	178.2	-67.3	165.5	-163	158.1	0	113.3	Q523 D524 V525 I529 F530	Q523-K527 WeakPolarHBondContact O-CG 3.48Å; Q523-K527 PolarHBondContact O-N 2.79Å; Q523-K527 VanDerWaalsContact O-N 3.09Å; D524-K527 IonicContact OD1-NZ 2.72Å; D524-K527 PolarHBondContact OD1-NZ 3.35Å; V525-K527 PolarHBondContact O-N 3.48Å; K527-I529 PolarHBondContact O-N 3.5Å; K527-F530 WeakPolarHBondContact O-CD2 3.31Å
528	Q	98	Very high	97.7	Very high	50 Å²	50	53.4 Å²	53.4	23%	0.234	26%	0.262	C	S	.	.	H	α-helix	trans	-68.9	-15.6	178	-76	166.6	73.6	0	0	113.1	I489 L494 D524 V525 Y526 F530 D531	I489-Q528 HydrophobicContact CD1-CB 3.77Å; I489-Q528 HydrophobicContact CD1-CG 3.76Å; L494-Q528 HydrophobicContact CD1-CB 3.66Å; L494-Q528 HydrophobicContact CD2-CB 4.32Å; D524-Q528 WeakPolarHBondContact O-CG 3.46Å; D524-Q528 PolarHBondContact O-N 3.11Å; D524-Q528 PolarHBondContact O-NE2 3.22Å; V525-Q528 WeakPolarHBondContact O-CB 3.41Å; V525-Q528 PolarHBondContact O-N 3.2Å; V525-Q528 VanDerWaalsContact O-N 3.15Å; Y526-Q528 PolarHBondContact O-N 2.88Å; Q528-F530 PolarHBondContact O-N 2.91Å; Q528-F530 VanDerWaalsContact O-N 3.1Å; Q528-D531 PolarHBondContact O-N 2.92Å
529	I	97.4	Very high	97.4	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.056	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-59.4	-24.6	177.6	-162.1	54.2	0	0	0	112.8	L494 Y526 K527 D531 I532 L551 Q552 L555	L494-I529 HydrophobicContact CD2-CB 4.27Å; L494-I529 HydrophobicContact CD2-CD1 3.84Å; Y526-I529 WeakPolarHBondContact O-CB 3.41Å; Y526-I529 WeakPolarHBondContact O-CG2 3.46Å; Y526-I529 PolarHBondContact O-N 3.26Å; Y526-I529 VanDerWaalsContact O-N 3.08Å; K527-I529 PolarHBondContact O-N 3.5Å; I529-D531 VanDerWaalsContact C-N 3.29Å; I529-D531 PolarHBondContact O-N 2.8Å; I529-I532 HydrophobicContact CD1-CD1 4.15Å; I529-I532 HydrophobicContact CD1-CG2 3.89Å; I529-I532 WeakPolarHBondContact O-CG1 3.43Å; I529-L551 HydrophobicContact CD1-CD2 3.97Å; I529-L551 HydrophobicContact CD1-CG 4.04Å; I529-Q552 HydrophobicContact CD1-CG 4.16Å; I529-Q552 HydrophobicContact CG1-CG 3.99Å; I529-L555 HydrophobicContact CB-CD1 3.84Å; I529-L555 HydrophobicContact CD1-CD1 3.64Å; I529-L555 HydrophobicContact CG1-CD1 3.79Å
530	F	95.8	Very high	97.4	Very high	110 Å²	110	59.3 Å²	59.3	48%	0.482	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-80.2	-9.9	179.5	-56.7	-62.2	0	0	0	113.5	K527 Q528	K527-F530 WeakPolarHBondContact O-CD2 3.31Å; Q528-F530 PolarHBondContact O-N 2.91Å; Q528-F530 VanDerWaalsContact O-N 3.1Å
531	D	97.8	Very high	97.4	Very high	77 Å²	77	57.8 Å²	57.8	41%	0.412	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-113.4	23.7	177.5	-170.2	42.9	0	0	0	112.3	G487 G488 I489 Q528 I529	G487-D531 CarbonylContact C-O 3.37Å; G487-D531 WeakPolarHBondContact CA-O 3.27Å; G487-D531 WeakPolarHBondContact CA-OD1 3.15Å; G488-D531 PolarHBondContact N-O 3.19Å; G488-D531 PolarHBondContact N-OD1 3.44Å; G488-D531 VanDerWaalsContact N-OD1 3.1Å; G488-D531 PolarHBondContact N-OD2 2.81Å; I489-D531 HydrophobicContact CD1-CB 4.43Å; I489-D531 PolarHBondContact N-O 3.25Å; I489-D531 VanDerWaalsContact N-O 3.09Å; Q528-D531 PolarHBondContact O-N 2.92Å; I529-D531 VanDerWaalsContact C-N 3.29Å; I529-D531 PolarHBondContact O-N 2.8Å
532	I	98.1	Very high	97.3	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	155.5	175.9	62.3	177.6	0	0	0	112.4	V482 A485 G487 I489 L494 I529 L534 A548	V482-I532 HydrophobicContact CG1-CD1 4.28Å; A485-I532 HydrophobicContact CB-CG1 4.06Å; A485-I532 VanDerWaalsContact CB-O 3.31Å; A485-I532 WeakPolarHBondContact CB-O 3.31Å; G487-I532 WeakPolarHBondContact CA-O 3.43Å; G487-I532 PolarHBondContact N-O 3.41Å; I489-I532 CarbonylContact O-C 3.44Å; I489-I532 VanDerWaalsContact O-CA 3.23Å; I489-I532 WeakPolarHBondContact O-CA 3.44Å; L494-I532 HydrophobicContact CD2-CG2 3.63Å; I529-I532 HydrophobicContact CD1-CD1 4.15Å; I529-I532 HydrophobicContact CD1-CG2 3.89Å; I529-I532 WeakPolarHBondContact O-CG1 3.43Å; I532-L534 HydrophobicContact CD1-CD1 3.96Å; I532-L534 HydrophobicContact CG1-CD1 4.26Å; I532-A548 HydrophobicContact CD1-CB 4.32Å
533	K	98.1	Very high	97.3	Very high	105 Å²	105	57.6 Å²	57.6	46%	0.457	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126	175	-176.2	-176	171	-173.2	0	109	G487 I489	G487-K533 WeakPolarHBondContact O-CB 3.4Å; I489-K533 PolarHBondContact O-N 2.97Å
534	L	97.8	Very high	97.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.			trans	-102	155.5	163.3	-80.2	68.2	0	0	0	108.8	V482 A485 V491 I532 R537 D544 L545 A548	V482-L534 HydrophobicContact CG1-CD1 4.16Å; V482-L534 HydrophobicContact CG1-CD2 3.99Å; V482-L534 WeakPolarHBondContact O-CD2 3.44Å; A485-L534 HydrophobicContact CB-CD1 4.3Å; A485-L534 PolarHBondContact O-N 3.29Å; V491-L534 HydrophobicContact CG2-CD1 3.76Å; V491-L534 HydrophobicContact CG2-CG 4.24Å; I532-L534 HydrophobicContact CD1-CD1 3.96Å; I532-L534 HydrophobicContact CG1-CD1 4.26Å; L534-R537 PolarHBondContact O-NH1 2.99Å; L534-R537 VanDerWaalsContact O-NH1 3.08Å; L534-R537 PolarHBondContact O-NH2 2.82Å; L534-D544 WeakPolarHBondContact CA-OD2 3.4Å; L534-L545 HydrophobicContact CD2-CB 4.12Å; L534-L545 HydrophobicContact CD2-CD1 4.22Å; L534-A548 HydrophobicContact CD1-CB 3.88Å; L534-A548 HydrophobicContact CD2-CB 4.1Å; L534-A548 HydrophobicContact CG-CB 4.33Å
535	S	95.9	Very high	97.3	Very high	93 Å²	93	54.2 Å²	54.2	65%	0.65	27%	0.269	S	S	*	.	S	Bend	trans	-106.2	-39.3	175.2	-56	0	0	0	0	110.9	D544	S535-D544 PolarHBondContact N-OD2 2.93Å
536	D	97.5	Very high	97.3	Very high	58 Å²	58	55 Å²	55	31%	0.31	27%	0.273	S	S	.	.			trans	-81.7	125.9	177.8	-171	0	0	0	0	111.5	S538 N542 D544	D536-S538 VanDerWaalsContact CG-OG 3.28Å; D536-S538 WeakPolarHBondContact OD1-CB 3.5Å; D536-S538 PolarHBondContact OD1-N 2.91Å; D536-S538 PolarHBondContact OD1-OG 3.49Å; D536-S538 PolarHBondContact OD2-OG 3.41Å; D536-N542 PolarHBondContact O-ND2 3.44Å; D536-N542 PolarHBondContact OD2-OD1 3.48Å; D536-D544 HydrophobicContact CB-CB 4.03Å; D536-D544 PolarHBondContact N-OD2 2.95Å; D536-D544 VanDerWaalsContact N-OD2 3.15Å
537	R	95.1	Very high	97.3	Very high	79 Å²	79	57.9 Å²	57.9	30%	0.298	29%	0.287	S	S	.	.			trans	-107.4	0.8	179.4	-53.4	-56.6	-179.4	-153.3	-6	112.9	R483 A485 L534	R483-R537 PolarHBondContact NE-O 3.31Å; R483-R537 PolarHBondContact NH2-O 2.82Å; R483-R537 VanDerWaalsContact O-CD 3.29Å; R483-R537 WeakPolarHBondContact O-CD 3.39Å; R483-R537 PolarHBondContact O-NH1 3.29Å; A485-R537 PolarHBondContact O-NH1 3.07Å; A485-R537 PolarHBondContact O-NH2 3.32Å; A485-R537 VanDerWaalsContact O-NH2 3.11Å; L534-R537 PolarHBondContact O-NH1 2.99Å; L534-R537 VanDerWaalsContact O-NH1 3.08Å; L534-R537 PolarHBondContact O-NH2 2.82Å
538	S	96.4	Very high	97.4	Very high	45 Å²	45	52.3 Å²	52.3	32%	0.315	26%	0.263	S	S	.	.			trans	-68.5	176.8	176.5	76.5	0	0	0	0	111.3	R483 D536 N542	R483-S538 PolarHBondContact NE-O 3.15Å; D536-S538 VanDerWaalsContact CG-OG 3.28Å; D536-S538 WeakPolarHBondContact OD1-CB 3.5Å; D536-S538 PolarHBondContact OD1-N 2.91Å; D536-S538 PolarHBondContact OD1-OG 3.49Å; D536-S538 PolarHBondContact OD2-OG 3.41Å; S538-N542 PolarHBondContact O-ND2 2.94Å
539	L	94.2	Very high	97.4	Very high	37 Å²	37	50.1 Å²	50.1	19%	0.194	25%	0.253	C	S	.	.	S	Bend	trans	-115.3	-35.3	168.8	-74.8	170.8	0	0	0	112.5	Y37 L479 W541 L545	Y37-L539 HydrophobicContact CD1-CD1 4.27Å; Y37-L539 HydrophobicContact CE1-CD1 3.9Å; Y37-L539 HydrophobicContact CE1-CD2 3.82Å; L479-L539 HydrophobicContact CD2-CD2 4.29Å; L539-W541 PolarHBondContact O-N 2.93Å; L539-L545 HydrophobicContact CD2-CD2 4.44Å
540	I	97.5	Very high	97.5	Very high	105 Å²	105	50.1 Å²	50.1	54%	0.538	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	119.5	-178.9	-64.8	172.9	0	0	0	108.4	E222 N542	E222-I540 VanDerWaalsContact O-CG2 3.29Å; E222-I540 WeakPolarHBondContact O-CG2 3.19Å; I540-N542 PolarHBondContact O-N 3.27Å
541	W	97.9	Very high	97.6	Very high	114 Å²	114	44.9 Å²	44.9	43%	0.432	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	31	178.4	-84.3	100.7	0	0	0	114.3	E200 L221 L539 T543	E200-W541 HydrophobicContact CB-CH2 4.48Å; E200-W541 HydrophobicContact CB-CZ2 4.43Å; E200-W541 VanDerWaalsContact CD-CH2 3.47Å; E200-W541 HydrophobicContact CG-CH2 4.3Å; E200-W541 HydrophobicContact CG-CZ2 4.48Å; E200-W541 WeakPolarHBondContact OE1-CH2 3.44Å; E200-W541 VanDerWaalsContact OE2-CZ2 3.24Å; E200-W541 WeakPolarHBondContact OE2-CZ2 3.35Å; L221-W541 WeakPolarHBondContact O-CA 3.43Å; L221-W541 PolarHBondContact O-N 3.41Å; L539-W541 PolarHBondContact O-N 2.93Å; W541-T543 VanDerWaalsContact C-N 3.29Å; W541-T543 HydrophobicContact CE3-CG2 4.34Å; W541-T543 PolarHBondContact O-N 2.71Å
542	N	98	Very high	97.7	Very high	3 Å²	3	43 Å²	43	2%	0.016	22%	0.218	C	C	.	.			trans	-72.4	85.9	176.2	-172.4	-20.3	0	0	0	109.9	D536 S538 I540 D544 L545 M546	D536-N542 PolarHBondContact O-ND2 3.44Å; D536-N542 PolarHBondContact OD2-OD1 3.48Å; S538-N542 PolarHBondContact O-ND2 2.94Å; I540-N542 PolarHBondContact O-N 3.27Å; N542-D544 VanDerWaalsContact C-N 3.32Å; N542-D544 WeakPolarHBondContact OD1-CB 3.5Å; N542-D544 PolarHBondContact OD1-N 3.47Å; N542-L545 HydrophobicContact CB-CB 4.04Å; N542-L545 VanDerWaalsContact CG-CB 3.47Å; N542-L545 WeakPolarHBondContact O-CB 3.4Å; N542-L545 PolarHBondContact O-N 3.06Å; N542-L545 WeakPolarHBondContact OD1-CB 3.42Å; N542-L545 PolarHBondContact OD1-N 3.43Å; N542-M546 PolarHBondContact O-N 2.97Å; N542-M546 VanDerWaalsContact O-N 3.09Å
543	T	97.6	Very high	97.7	Very high	65 Å²	65	42.8 Å²	42.8	40%	0.399	22%	0.217	S	C	.	.	H	α-helix	trans	-70.3	-27.9	179.6	47.3	0	0	0	0	112.3	W541 L545 M546 E547	W541-T543 VanDerWaalsContact C-N 3.29Å; W541-T543 HydrophobicContact CE3-CG2 4.34Å; W541-T543 PolarHBondContact O-N 2.71Å; T543-L545 VanDerWaalsContact C-N 3.32Å; T543-L545 PolarHBondContact O-N 3.16Å; T543-M546 HydrophobicContact CG2-CE 4.4Å; T543-M546 PolarHBondContact O-N 3.21Å; T543-E547 WeakPolarHBondContact O-CB 3.24Å; T543-E547 WeakPolarHBondContact O-CG 3.34Å; T543-E547 PolarHBondContact O-N 3.42Å
544	D	98	Very high	97.7	Very high	42 Å²	42	37.9 Å²	37.9	23%	0.225	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-42.3	172.3	-167.4	19.1	0	0	0	110.9	L534 S535 D536 N542 A548	L534-D544 WeakPolarHBondContact CA-OD2 3.4Å; S535-D544 PolarHBondContact N-OD2 2.93Å; D536-D544 HydrophobicContact CB-CB 4.03Å; D536-D544 PolarHBondContact N-OD2 2.95Å; D536-D544 VanDerWaalsContact N-OD2 3.15Å; N542-D544 VanDerWaalsContact C-N 3.32Å; N542-D544 WeakPolarHBondContact OD1-CB 3.5Å; N542-D544 PolarHBondContact OD1-N 3.47Å; D544-A548 WeakPolarHBondContact O-CB 3.3Å; D544-A548 PolarHBondContact O-N 3.01Å
545	L	98.4	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-51.2	172.3	175.7	58.8	0	0	0	112.6	L479 V482 R483 L534 L539 N542 T543 E547 A548 L549	L479-L545 HydrophobicContact CD2-CD2 4.34Å; L479-L545 HydrophobicContact CG-CD2 4.22Å; V482-L545 HydrophobicContact CB-CD1 3.98Å; V482-L545 HydrophobicContact CG1-CD1 3.63Å; R483-L545 HydrophobicContact CB-CD1 3.97Å; R483-L545 HydrophobicContact CB-CD2 4.07Å; R483-L545 HydrophobicContact CG-CD2 4.3Å; L534-L545 HydrophobicContact CD2-CB 4.12Å; L534-L545 HydrophobicContact CD2-CD1 4.22Å; L539-L545 HydrophobicContact CD2-CD2 4.44Å; N542-L545 HydrophobicContact CB-CB 4.04Å; N542-L545 VanDerWaalsContact CG-CB 3.47Å; N542-L545 WeakPolarHBondContact O-CB 3.4Å; N542-L545 PolarHBondContact O-N 3.06Å; N542-L545 WeakPolarHBondContact OD1-CB 3.42Å; N542-L545 PolarHBondContact OD1-N 3.43Å; T543-L545 VanDerWaalsContact C-N 3.32Å; T543-L545 PolarHBondContact O-N 3.16Å; L545-E547 VanDerWaalsContact C-N 3.3Å; L545-E547 PolarHBondContact O-N 3.16Å; L545-A548 WeakPolarHBondContact O-CB 3.39Å; L545-A548 PolarHBondContact O-N 3.18Å; L545-L549 HydrophobicContact CD1-CD1 4.41Å; L545-L549 HydrophobicContact CD1-CG 4.37Å; L545-L549 HydrophobicContact CG-CD1 4.43Å; L545-L549 WeakPolarHBondContact O-CG 3.34Å; L545-L549 PolarHBondContact O-N 3.42Å
546	M	98.1	Very high	97.9	Very high	26 Å²	26	33.7 Å²	33.7	13%	0.128	17%	0.166	C	C	.	.	H	α-helix	trans	-57.2	-46.6	179.5	-176.6	-173.1	73.6	0	0	111.1	F202 L221 N542 T543 A548 L549 E550	F202-M546 HydrophobicContact CD2-CG 3.82Å; F202-M546 HydrophobicContact CD2-SD 4.41Å; F202-M546 HydrophobicContact CE2-CG 4.16Å; F202-M546 HydrophobicContact CG-CG 4.38Å; L221-M546 HydrophobicContact CD1-SD 3.65Å; L221-M546 HydrophobicContact CD2-CB 4.49Å; L221-M546 HydrophobicContact CD2-CG 4.46Å; L221-M546 HydrophobicContact CD2-SD 4.2Å; N542-M546 PolarHBondContact O-N 2.97Å; N542-M546 VanDerWaalsContact O-N 3.09Å; T543-M546 HydrophobicContact CG2-CE 4.4Å; T543-M546 PolarHBondContact O-N 3.21Å; M546-A548 VanDerWaalsContact C-N 3.3Å; M546-A548 PolarHBondContact O-N 3.02Å; M546-L549 WeakPolarHBondContact O-CB 3.43Å; M546-L549 PolarHBondContact O-N 2.96Å; M546-L549 VanDerWaalsContact O-N 3.16Å; M546-E550 WeakPolarHBondContact O-CG 3.46Å; M546-E550 PolarHBondContact O-N 2.94Å
547	E	98.6	Very high	98	Very high	72 Å²	72	30.9 Å²	30.9	34%	0.336	15%	0.151	S	C	.	.	H	α-helix	trans	-66.7	-28.8	179.9	-85.7	-162.6	-143.8	0	0	113.6	R495 T543 L545 L551	R495-E547 IonicContact CZ-OE2 2.79Å; R495-E547 VanDerWaalsContact CZ-OE2 3.28Å; R495-E547 IonicContact NH1-OE2 2.74Å; R495-E547 PolarHBondContact NH1-OE2 3.11Å; R495-E547 VanDerWaalsContact NH2-CB 3.25Å; R495-E547 PolarHBondContact NH2-O 2.9Å; R495-E547 IonicContact NH2-OE2 3.57Å; R495-E547 PolarHBondContact NH2-OE2 3.19Å; T543-E547 WeakPolarHBondContact O-CB 3.24Å; T543-E547 WeakPolarHBondContact O-CG 3.34Å; T543-E547 PolarHBondContact O-N 3.42Å; L545-E547 VanDerWaalsContact C-N 3.3Å; L545-E547 PolarHBondContact O-N 3.16Å; E547-L551 WeakPolarHBondContact O-CB 3.31Å; E547-L551 PolarHBondContact O-N 3.34Å
548	A	98.7	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.3	-39.7	171.2	0	0	0	0	0	111.9	V482 V491 I532 L534 D544 L545 M546 L551 Q552	V482-A548 HydrophobicContact CG1-CB 3.53Å; V491-A548 HydrophobicContact CG1-CB 4.35Å; V491-A548 HydrophobicContact CG2-CB 3.76Å; I532-A548 HydrophobicContact CD1-CB 4.32Å; L534-A548 HydrophobicContact CD1-CB 3.88Å; L534-A548 HydrophobicContact CD2-CB 4.1Å; L534-A548 HydrophobicContact CG-CB 4.33Å; D544-A548 WeakPolarHBondContact O-CB 3.3Å; D544-A548 PolarHBondContact O-N 3.01Å; L545-A548 WeakPolarHBondContact O-CB 3.39Å; L545-A548 PolarHBondContact O-N 3.18Å; M546-A548 VanDerWaalsContact C-N 3.3Å; M546-A548 PolarHBondContact O-N 3.02Å; A548-L551 WeakPolarHBondContact O-CB 3.24Å; A548-L551 PolarHBondContact O-N 3.07Å; A548-Q552 PolarHBondContact O-N 3.3Å
549	L	98.7	Very high	98.3	Very high	5 Å²	5	25 Å²	25	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-65.1	-41.2	172.8	-64.5	171.7	0	0	0	111	F202 V482 L545 M546 L551 Q552 N553	F202-L549 HydrophobicContact CD1-CD1 4.18Å; F202-L549 HydrophobicContact CE1-CB 3.78Å; F202-L549 HydrophobicContact CE1-CD1 3.98Å; F202-L549 HydrophobicContact CZ-CB 3.94Å; V482-L549 HydrophobicContact CG2-CD2 4.34Å; L545-L549 HydrophobicContact CD1-CD1 4.41Å; L545-L549 HydrophobicContact CD1-CG 4.37Å; L545-L549 HydrophobicContact CG-CD1 4.43Å; L545-L549 WeakPolarHBondContact O-CG 3.34Å; L545-L549 PolarHBondContact O-N 3.42Å; M546-L549 WeakPolarHBondContact O-CB 3.43Å; M546-L549 PolarHBondContact O-N 2.96Å; M546-L549 VanDerWaalsContact O-N 3.16Å; L549-L551 VanDerWaalsContact C-N 3.3Å; L549-L551 PolarHBondContact O-N 3.33Å; L549-Q552 WeakPolarHBondContact O-CB 3.44Å; L549-Q552 PolarHBondContact O-N 3.31Å; L549-N553 PolarHBondContact O-N 3.49Å; L549-N553 VanDerWaalsContact O-N 3.1Å; L549-N553 PolarHBondContact O-ND2 3.14Å
550	E	98.9	Very high	98.5	Very high	11 Å²	11	23.2 Å²	23.2	5%	0.051	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-37.1	171.8	-73.4	-177.5	151.4	0	0	112.2	K74 F202 T255 M546 N553 L554	K74-E550 IonicContact NZ-OE1 2.69Å; K74-E550 PolarHBondContact NZ-OE1 3.04Å; F202-E550 HydrophobicContact CE2-CG 3.71Å; F202-E550 HydrophobicContact CZ-CG 4.1Å; T255-E550 HydrophobicContact CG2-CB 3.92Å; T255-E550 HydrophobicContact CG2-CG 4.03Å; M546-E550 WeakPolarHBondContact O-CG 3.46Å; M546-E550 PolarHBondContact O-N 2.94Å; E550-N553 WeakPolarHBondContact O-CB 3.49Å; E550-N553 PolarHBondContact O-N 3.35Å; E550-L554 WeakPolarHBondContact O-CB 3.28Å; E550-L554 WeakPolarHBondContact O-CG 3.31Å; E550-L554 PolarHBondContact O-N 3.36Å
551	L	98.8	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-40.4	174.3	178.7	60.3	0	0	0	111.8	V491 L494 R495 M498 I529 E547 A548 L549 N553 L554 L555	V491-L551 HydrophobicContact CG1-CB 4.33Å; V491-L551 HydrophobicContact CG1-CD2 3.95Å; L494-L551 HydrophobicContact CB-CD2 3.98Å; L494-L551 HydrophobicContact CD2-CD2 3.99Å; L494-L551 HydrophobicContact CG-CD2 4.08Å; R495-L551 HydrophobicContact CB-CD1 3.9Å; R495-L551 HydrophobicContact CG-CD1 4.26Å; M498-L551 HydrophobicContact CE-CD1 4.27Å; M498-L551 HydrophobicContact SD-CD1 4.39Å; I529-L551 HydrophobicContact CD1-CD2 3.97Å; I529-L551 HydrophobicContact CD1-CG 4.04Å; E547-L551 WeakPolarHBondContact O-CB 3.31Å; E547-L551 PolarHBondContact O-N 3.34Å; A548-L551 WeakPolarHBondContact O-CB 3.24Å; A548-L551 PolarHBondContact O-N 3.07Å; L549-L551 VanDerWaalsContact C-N 3.3Å; L549-L551 PolarHBondContact O-N 3.33Å; L551-N553 VanDerWaalsContact C-N 3.27Å; L551-N553 PolarHBondContact O-N 3.06Å; L551-L554 PolarHBondContact O-N 2.67Å; L551-L555 HydrophobicContact CD1-CD1 4.27Å; L551-L555 HydrophobicContact CD1-CG 4.1Å; L551-L555 HydrophobicContact CG-CD1 4.12Å; L551-L555 HydrophobicContact CG-CG 4.42Å; L551-L555 WeakPolarHBondContact O-CB 3.45Å; L551-L555 VanDerWaalsContact O-CG 3.29Å; L551-L555 WeakPolarHBondContact O-CG 3.31Å; L551-L555 PolarHBondContact O-N 2.75Å
552	Q	98.8	Very high	98.6	Very high	37 Å²	37	12.8 Å²	12.8	17%	0.173	7%	0.067	C	C	.	.	H	α-helix	trans	-58	-42.3	172.3	-67	179.7	-29.9	0	0	111	N478 I529 A548 L549 L556	N478-Q552 PolarHBondContact ND2-OE1 3.01Å; N478-Q552 PolarHBondContact OD1-NE2 3.47Å; I529-Q552 HydrophobicContact CD1-CG 4.16Å; I529-Q552 HydrophobicContact CG1-CG 3.99Å; A548-Q552 PolarHBondContact O-N 3.3Å; L549-Q552 WeakPolarHBondContact O-CB 3.44Å; L549-Q552 PolarHBondContact O-N 3.31Å; Q552-L556 WeakPolarHBondContact O-CG 3.47Å; Q552-L556 PolarHBondContact O-N 2.98Å
553	N	98.9	Very high	98.6	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.011	7%	0.074	C	C	.	.	H	α-helix	trans	-64.4	-48.5	177.3	-62.2	-25.8	0	0	0	111.9	D257 A260 R264 L549 E550 L551 L555 L556 N557	D257-N553 PolarHBondContact OD1-ND2 2.88Å; A260-N553 HydrophobicContact CB-CB 3.54Å; A260-N553 VanDerWaalsContact CB-OD1 3.3Å; A260-N553 WeakPolarHBondContact CB-OD1 3.36Å; R264-N553 PolarHBondContact NH1-OD1 3.29Å; R264-N553 PolarHBondContact NH2-OD1 3.47Å; R264-N553 VanDerWaalsContact NH2-OD1 3.08Å; L549-N553 PolarHBondContact O-N 3.49Å; L549-N553 VanDerWaalsContact O-N 3.1Å; L549-N553 PolarHBondContact O-ND2 3.14Å; E550-N553 WeakPolarHBondContact O-CB 3.49Å; E550-N553 PolarHBondContact O-N 3.35Å; L551-N553 VanDerWaalsContact C-N 3.27Å; L551-N553 PolarHBondContact O-N 3.06Å; N553-L555 VanDerWaalsContact C-N 3.32Å; N553-L555 PolarHBondContact O-N 2.9Å; N553-L556 PolarHBondContact O-N 3.24Å; N553-N557 PolarHBondContact O-N 2.8Å; N553-N557 PolarHBondContact O-ND2 3.44Å
554	L	98.9	Very high	98.7	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-59	-41.7	178.8	-77.5	170.5	0	0	0	112.4	R243 A244 T255 M498 E550 L551 L556 N557 A558	R243-L554 HydrophobicContact CB-CD1 4.34Å; R243-L554 HydrophobicContact CB-CD2 4.1Å; A244-L554 HydrophobicContact CB-CD2 4.14Å; T255-L554 HydrophobicContact CG2-CD1 4.14Å; T255-L554 HydrophobicContact CG2-CG 4.31Å; M498-L554 HydrophobicContact CE-CB 3.76Å; M498-L554 HydrophobicContact CE-CD1 4Å; M498-L554 HydrophobicContact CE-CG 4.37Å; M498-L554 HydrophobicContact SD-CB 3.78Å; E550-L554 WeakPolarHBondContact O-CB 3.28Å; E550-L554 WeakPolarHBondContact O-CG 3.31Å; E550-L554 PolarHBondContact O-N 3.36Å; L551-L554 PolarHBondContact O-N 2.67Å; L554-L556 PolarHBondContact O-N 3.2Å; L554-N557 PolarHBondContact O-N 2.82Å; L554-A558 VanDerWaalsContact O-CB 3.28Å; L554-A558 WeakPolarHBondContact O-CB 3.48Å; L554-A558 PolarHBondContact O-N 3.28Å
555	L	98.8	Very high	98.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.9	-42	179.7	-76.8	171.1	0	0	0	112.4	L494 M498 M522 V525 Y526 I529 L551 N553 A558 V559	L494-L555 HydrophobicContact CD2-CD1 4.49Å; M498-L555 HydrophobicContact CB-CD2 4.13Å; M498-L555 HydrophobicContact CG-CD2 4.02Å; M498-L555 HydrophobicContact SD-CD2 3.78Å; M498-L555 HydrophobicContact SD-CG 4.1Å; M522-L555 HydrophobicContact CE-CD2 4.23Å; V525-L555 HydrophobicContact CG1-CD2 3.73Å; Y526-L555 HydrophobicContact CD2-CB 3.94Å; Y526-L555 HydrophobicContact CE2-CB 4.22Å; I529-L555 HydrophobicContact CB-CD1 3.84Å; I529-L555 HydrophobicContact CD1-CD1 3.64Å; I529-L555 HydrophobicContact CG1-CD1 3.79Å; L551-L555 HydrophobicContact CD1-CD1 4.27Å; L551-L555 HydrophobicContact CD1-CG 4.1Å; L551-L555 HydrophobicContact CG-CD1 4.12Å; L551-L555 HydrophobicContact CG-CG 4.42Å; L551-L555 WeakPolarHBondContact O-CB 3.45Å; L551-L555 VanDerWaalsContact O-CG 3.29Å; L551-L555 WeakPolarHBondContact O-CG 3.31Å; L551-L555 PolarHBondContact O-N 2.75Å; N553-L555 VanDerWaalsContact C-N 3.32Å; N553-L555 PolarHBondContact O-N 2.9Å; L555-A558 PolarHBondContact O-N 3.06Å; L555-V559 VanDerWaalsContact O-CG2 3.31Å; L555-V559 WeakPolarHBondContact O-CG2 3.43Å; L555-V559 PolarHBondContact O-N 3.35Å
556	L	98.8	Very high	98.7	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.021	5%	0.052	C	C	.	.	H	α-helix	trans	-59.7	-47.5	174.6	-66.2	175.2	0	0	0	110.8	A260 T263 R264 Y526 Q552 N553 L554 Q560 M613 P615	A260-L556 HydrophobicContact CB-CD1 4.02Å; T263-L556 HydrophobicContact CG2-CD1 4.19Å; T263-L556 HydrophobicContact CG2-CD2 4.23Å; R264-L556 HydrophobicContact CG-CD1 4.06Å; Y526-L556 HydrophobicContact CE2-CD2 3.82Å; Y526-L556 WeakPolarHBondContact OH-CD2 3.03Å; Q552-L556 WeakPolarHBondContact O-CG 3.47Å; Q552-L556 PolarHBondContact O-N 2.98Å; N553-L556 PolarHBondContact O-N 3.24Å; L554-L556 PolarHBondContact O-N 3.2Å; L556-Q560 WeakPolarHBondContact O-CB 3.35Å; L556-Q560 VanDerWaalsContact O-CG 3.23Å; L556-Q560 WeakPolarHBondContact O-CG 3.37Å; L556-Q560 PolarHBondContact O-N 3.27Å; L556-Q560 VanDerWaalsContact O-N 3.11Å; L556-M613 HydrophobicContact CB-SD 4.34Å; L556-M613 HydrophobicContact CD2-CE 3.65Å; L556-M613 HydrophobicContact CD2-CG 4.3Å; L556-M613 HydrophobicContact CD2-SD 3.54Å; L556-M613 VanDerWaalsContact CD2-SD 3.54Å; L556-P615 HydrophobicContact CD2-CB 4.49Å
557	N	98.9	Very high	98.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.4	-41.5	179	-72.4	-71.4	0	0	0	112.7	Y241 G256 T259 M272 N553 L554 T561	Y241-N557 HydrophobicContact CD1-CB 4.32Å; Y241-N557 HydrophobicContact CD2-CB 3.68Å; Y241-N557 HydrophobicContact CE2-CB 4.08Å; Y241-N557 HydrophobicContact CG-CB 3.81Å; G256-N557 PolarHBondContact O-ND2 2.95Å; T259-N557 VanDerWaalsContact CB-OD1 3.27Å; T259-N557 WeakPolarHBondContact CB-OD1 3.35Å; T259-N557 PolarHBondContact OG1-ND2 2.82Å; T259-N557 PolarHBondContact OG1-OD1 3.1Å; M272-N557 HydrophobicContact CE-CB 4.17Å; M272-N557 WeakPolarHBondContact CE-OD1 3.19Å; N553-N557 PolarHBondContact O-N 2.8Å; N553-N557 PolarHBondContact O-ND2 3.44Å; L554-N557 PolarHBondContact O-N 2.82Å; N557-T561 WeakPolarHBondContact O-CB 3.29Å; N557-T561 PolarHBondContact O-N 3.2Å; N557-T561 PolarHBondContact O-OG1 3.09Å
558	A	98.8	Very high	98.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.2	-46	-179.2	0	0	0	0	0	112	A244 M498 M502 M522 L554 L555 T561 I562	A244-A558 HydrophobicContact CB-CB 4.27Å; M498-A558 HydrophobicContact CG-CB 4.08Å; M498-A558 HydrophobicContact SD-CB 4.04Å; M502-A558 HydrophobicContact CG-CB 4.02Å; M502-A558 HydrophobicContact SD-CB 3.98Å; M522-A558 HydrophobicContact CE-CB 3.51Å; M522-A558 HydrophobicContact SD-CB 4.47Å; L554-A558 VanDerWaalsContact O-CB 3.28Å; L554-A558 WeakPolarHBondContact O-CB 3.48Å; L554-A558 PolarHBondContact O-N 3.28Å; L555-A558 PolarHBondContact O-N 3.06Å; A558-T561 PolarHBondContact O-N 3.34Å; A558-I562 PolarHBondContact O-N 3.43Å
559	V	98.8	Very high	98.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-48.8	176.1	171.9	0	0	0	0	110.5	M522 Y526 L555 T561 I562 E563 M613 T620	M522-V559 HydrophobicContact CB-CG2 4.44Å; M522-V559 HydrophobicContact CE-CG2 3.96Å; Y526-V559 HydrophobicContact CD2-CG2 4.03Å; Y526-V559 HydrophobicContact CG-CG2 4.42Å; L555-V559 VanDerWaalsContact O-CG2 3.31Å; L555-V559 WeakPolarHBondContact O-CG2 3.43Å; L555-V559 PolarHBondContact O-N 3.35Å; V559-T561 VanDerWaalsContact C-N 3.29Å; V559-T561 PolarHBondContact O-N 2.65Å; V559-I562 PolarHBondContact O-N 3.12Å; V559-E563 HydrophobicContact CG1-CG 4.35Å; V559-E563 WeakPolarHBondContact O-CB 3.4Å; V559-E563 WeakPolarHBondContact O-CG 3.27Å; V559-E563 PolarHBondContact O-N 2.7Å; V559-M613 HydrophobicContact CB-CE 3.72Å; V559-M613 HydrophobicContact CB-SD 4.06Å; V559-M613 HydrophobicContact CG1-CE 3.69Å; V559-M613 HydrophobicContact CG1-SD 3.99Å; V559-M613 HydrophobicContact CG2-CE 3.96Å; V559-T620 HydrophobicContact CG1-CG2 3.67Å
560	Q	98.9	Very high	98.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.5	-40.9	177.2	-72.4	178.4	26.9	0	0	112.5	T263 N269 M272 L556 S564 V611 M613	T263-Q560 PolarHBondContact OG1-NE2 3.42Å; N269-Q560 PolarHBondContact ND2-OE1 2.94Å; M272-Q560 HydrophobicContact CB-CB 4.38Å; M272-Q560 HydrophobicContact CG-CB 4.21Å; L556-Q560 WeakPolarHBondContact O-CB 3.35Å; L556-Q560 VanDerWaalsContact O-CG 3.23Å; L556-Q560 WeakPolarHBondContact O-CG 3.37Å; L556-Q560 PolarHBondContact O-N 3.27Å; L556-Q560 VanDerWaalsContact O-N 3.11Å; Q560-S564 WeakPolarHBondContact O-CB 3.32Å; Q560-S564 PolarHBondContact O-N 3.34Å; Q560-S564 VanDerWaalsContact O-N 3.07Å; Q560-S564 PolarHBondContact O-OG 2.99Å; Q560-V611 HydrophobicContact CB-CG1 3.88Å; Q560-V611 HydrophobicContact CB-CG2 4.08Å; Q560-V611 HydrophobicContact CG-CG1 3.95Å; Q560-V611 HydrophobicContact CG-CG2 3.74Å; Q560-M613 HydrophobicContact CG-CB 4.4Å; Q560-M613 HydrophobicContact CG-SD 4.16Å
561	T	98.9	Very high	98.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-51.6	179.2	-63.8	0	0	0	0	111.9	Y241 M272 V275 M502 N557 A558 V559 A565	Y241-T561 VanDerWaalsContact CE2-OG1 3.28Å; Y241-T561 WeakPolarHBondContact CE2-OG1 3.14Å; Y241-T561 PolarHBondContact OH-OG1 3.47Å; M272-T561 WeakPolarHBondContact O-CG2 3.46Å; M272-T561 PolarHBondContact O-OG1 3.24Å; V275-T561 HydrophobicContact CG2-CG2 3.96Å; M502-T561 HydrophobicContact CE-CG2 3.61Å; N557-T561 WeakPolarHBondContact O-CB 3.29Å; N557-T561 PolarHBondContact O-N 3.2Å; N557-T561 PolarHBondContact O-OG1 3.09Å; A558-T561 PolarHBondContact O-N 3.34Å; V559-T561 VanDerWaalsContact C-N 3.29Å; V559-T561 PolarHBondContact O-N 2.65Å; T561-A565 WeakPolarHBondContact O-CB 3.39Å; T561-A565 PolarHBondContact O-N 2.88Å
562	I	98.7	Very high	98.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-74.5	-35.6	-173.5	-160.8	161	0	0	0	112.3	M502 H505 A506 L515 M522 A558 V559 A565 S566	M502-I562 HydrophobicContact CE-CB 4.41Å; M502-I562 HydrophobicContact SD-CB 4.12Å; M502-I562 HydrophobicContact SD-CD1 4.26Å; H505-I562 HydrophobicContact CB-CD1 3.89Å; A506-I562 HydrophobicContact CB-CD1 4.18Å; A506-I562 HydrophobicContact CB-CG1 4.28Å; L515-I562 HydrophobicContact CD2-CG1 4.11Å; M522-I562 HydrophobicContact CB-CG2 4.09Å; M522-I562 HydrophobicContact CG-CD1 4.35Å; M522-I562 HydrophobicContact CG-CG2 4.02Å; A558-I562 PolarHBondContact O-N 3.43Å; V559-I562 PolarHBondContact O-N 3.12Å; I562-A565 WeakPolarHBondContact O-CB 3.44Å; I562-A565 PolarHBondContact O-N 3.2Å; I562-S566 PolarHBondContact O-N 2.97Å
563	E	98.6	Very high	98.8	Very high	38 Å²	38	10.9 Å²	10.9	18%	0.178	6%	0.06	C	C	.	.	H	α-helix	trans	-70.5	-39.6	177.1	-67.6	-163.4	-176.8	0	0	111.7	C519 Q523 V559 A565 S566 A567 T620	C519-E563 HydrophobicContact CB-CG 4.46Å; Q523-E563 PolarHBondContact NE2-OE1 3.04Å; V559-E563 HydrophobicContact CG1-CG 4.35Å; V559-E563 WeakPolarHBondContact O-CB 3.4Å; V559-E563 WeakPolarHBondContact O-CG 3.27Å; V559-E563 PolarHBondContact O-N 2.7Å; E563-A565 VanDerWaalsContact C-N 3.28Å; E563-A565 PolarHBondContact O-N 2.87Å; E563-S566 PolarHBondContact O-N 3.05Å; E563-A567 WeakPolarHBondContact O-CB 3.19Å; E563-A567 PolarHBondContact O-N 3.43Å; E563-T620 HydrophobicContact CB-CG2 4.43Å; E563-T620 HydrophobicContact CG-CG2 4.47Å; E563-T620 VanDerWaalsContact OE2-CB 3.23Å; E563-T620 WeakPolarHBondContact OE2-CB 3.37Å; E563-T620 WeakPolarHBondContact OE2-CG2 3.44Å; E563-T620 PolarHBondContact OE2-OG1 2.98Å
564	S	98.8	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-39.6	170.9	-58.8	0	0	0	0	111.3	E273 Q560 A567 R568	E273-S564 WeakPolarHBondContact OE2-CB 3.47Å; Q560-S564 WeakPolarHBondContact O-CB 3.32Å; Q560-S564 PolarHBondContact O-N 3.34Å; Q560-S564 VanDerWaalsContact O-N 3.07Å; Q560-S564 PolarHBondContact O-OG 2.99Å; S564-A567 PolarHBondContact O-N 3.29Å; S564-R568 PolarHBondContact O-N 2.94Å; S564-R568 VanDerWaalsContact O-N 3.1Å
565	A	98.8	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.7	-39.5	177.5	0	0	0	0	0	113.1	E273 L515 T561 I562 E563 H575 R577	E273-A565 HydrophobicContact CB-CB 3.82Å; L515-A565 HydrophobicContact CD1-CB 4.47Å; L515-A565 HydrophobicContact CD2-CB 3.87Å; T561-A565 WeakPolarHBondContact O-CB 3.39Å; T561-A565 PolarHBondContact O-N 2.88Å; I562-A565 WeakPolarHBondContact O-CB 3.44Å; I562-A565 PolarHBondContact O-N 3.2Å; E563-A565 VanDerWaalsContact C-N 3.28Å; E563-A565 PolarHBondContact O-N 2.87Å; A565-H575 PolarHBondContact O-CE1 3.03Å; A565-R577 PolarHBondContact O-NH1 3.36Å
566	S	98.6	Very high	98.7	Very high	23 Å²	23	11.4 Å²	11.4	16%	0.161	7%	0.065	C	C	.	.	H	α-helix	trans	-62.7	-45.2	174.6	172.8	0	0	0	0	110.8	D516 I562 E563 R568 R577	D516-S566 PolarHBondContact OD1-OG 3.46Å; I562-S566 PolarHBondContact O-N 2.97Å; E563-S566 PolarHBondContact O-N 3.05Å; S566-R568 PolarHBondContact O-N 2.78Å; S566-R577 PolarHBondContact O-NH1 3.23Å
567	A	98.5	Very high	98.7	Very high	26 Å²	26	11.5 Å²	11.5	22%	0.215	7%	0.065	C	C	.	.	H	α-helix	trans	-64.3	-39.4	-178	0	0	0	0	0	113.4	E563 S564 K569 W605 L622	E563-A567 WeakPolarHBondContact O-CB 3.19Å; E563-A567 PolarHBondContact O-N 3.43Å; S564-A567 PolarHBondContact O-N 3.29Å; A567-K569 PolarHBondContact O-N 3.35Å; A567-W605 WeakPolarHBondContact O-CH2 3.23Å; A567-W605 VanDerWaalsContact O-CZ2 3.27Å; A567-W605 WeakPolarHBondContact O-CZ2 3.22Å; A567-L622 HydrophobicContact CB-CD1 3.37Å
568	R	98.7	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.			trans	-72.4	106.4	-179.3	-175.5	169.4	-68.2	-87.6	-0.9	111.8	E273 S564 S566 E570 H575 R577 W605 K607 T609	E273-R568 IonicContact OE1-CZ 2.89Å; E273-R568 IonicContact OE1-NE 3.65Å; E273-R568 PolarHBondContact OE1-NE 2.87Å; E273-R568 IonicContact OE1-NH2 3.92Å; E273-R568 PolarHBondContact OE1-NH2 2.84Å; S564-R568 PolarHBondContact O-N 2.94Å; S564-R568 VanDerWaalsContact O-N 3.1Å; S566-R568 PolarHBondContact O-N 2.78Å; R568-E570 HydrophobicContact CG-CG 3.79Å; R568-E570 IonicContact NH1-OE1 3.71Å; R568-E570 PolarHBondContact NH1-OE1 3.46Å; R568-E570 PolarHBondContact O-N 2.95Å; R568-H575 PolarHBondContact O-NE2 2.76Å; R568-R577 PolarHBondContact O-NH1 2.99Å; R568-W605 HydrophobicContact CB-CE3 4.43Å; R568-W605 HydrophobicContact CB-CZ3 4.27Å; R568-W605 HydrophobicContact CG-CD2 4.35Å; R568-W605 HydrophobicContact CG-CE3 4.04Å; R568-W605 HydrophobicContact CG-CZ3 4.38Å; R568-W605 PolarHBondContact NH1-O 3.37Å; R568-K607 PolarHBondContact NH2-O 3.01Å; R568-T609 PolarHBondContact NH2-OG1 3.4Å
569	K	98.5	Very high	98.6	Very high	106 Å²	106	18 Å²	18	46%	0.461	10%	0.097	S	C	.	.			trans	-101.7	57.8	-178.1	-67.1	172.9	-174	167.3	0	111.9	A567 F580 W605	A567-K569 PolarHBondContact O-N 3.35Å; K569-F580 HydrophobicContact CB-CD1 3.88Å; K569-F580 HydrophobicContact CB-CD2 3.93Å; K569-F580 HydrophobicContact CB-CE1 3.87Å; K569-F580 HydrophobicContact CB-CE2 3.93Å; K569-F580 HydrophobicContact CB-CG 3.92Å; K569-F580 HydrophobicContact CB-CZ 3.91Å; K569-F580 HydrophobicContact CD-CE1 4.48Å; K569-F580 HydrophobicContact CD-CE2 4.18Å; K569-F580 HydrophobicContact CD-CZ 3.92Å; K569-F580 HydrophobicContact CG-CD2 4.15Å; K569-F580 HydrophobicContact CG-CE1 4.42Å; K569-F580 HydrophobicContact CG-CE2 3.79Å; K569-F580 HydrophobicContact CG-CZ 3.94Å; K569-F580 WeakPolarHBondContact O-CD1 3.45Å; K569-W605 HydrophobicContact CB-CZ2 4.1Å; K569-W605 PolarHBondContact O-NE1 2.98Å
570	E	98.7	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-149.9	-179.9	171.9	67.8	161.6	172.9	0	0	110	R568 R572 H575 R577 F580 K582 I584 W605	R568-E570 HydrophobicContact CG-CG 3.79Å; R568-E570 IonicContact NH1-OE1 3.71Å; R568-E570 PolarHBondContact NH1-OE1 3.46Å; R568-E570 PolarHBondContact O-N 2.95Å; E570-R572 IonicContact OE1-CZ 3.87Å; E570-R572 IonicContact OE1-NE 3.07Å; E570-R572 PolarHBondContact OE1-NE 3.34Å; E570-R572 IonicContact OE1-NH2 3.23Å; E570-R572 PolarHBondContact OE1-NH2 2.86Å; E570-R572 IonicContact OE2-CZ 3.28Å; E570-R572 IonicContact OE2-NE 2.89Å; E570-R572 IonicContact OE2-NH2 3.97Å; E570-R572 PolarHBondContact OE2-NH2 2.86Å; E570-H575 PolarHBondContact O-CD2 2.96Å; E570-H575 VanDerWaalsContact O-CD2 3.31Å; E570-R577 VanDerWaalsContact O-CG 3.3Å; E570-R577 WeakPolarHBondContact O-CG 3.45Å; E570-F580 CarbonylContact C-O 3.33Å; E570-K582 WeakPolarHBondContact CB-O 3.41Å; E570-I584 HydrophobicContact CB-CB 4.37Å; E570-I584 HydrophobicContact CB-CD1 4.25Å; E570-I584 HydrophobicContact CB-CG1 4.06Å; E570-I584 PolarHBondContact OE2-N 2.81Å; E570-W605 HydrophobicContact CB-CB 4.11Å; E570-W605 HydrophobicContact CB-CG 4.05Å; E570-W605 HydrophobicContact CG-CB 3.57Å; E570-W605 HydrophobicContact CG-CG 3.8Å; E570-W605 VanDerWaalsContact OE1-CB 3.22Å; E570-W605 WeakPolarHBondContact OE1-CB 3.33Å; E570-W605 WeakPolarHBondContact OE2-CB 3.36Å
571	S	98.8	Very high	98.6	Very high	22 Å²	22	29.4 Å²	29.4	15%	0.154	15%	0.147	C	C	.	.			trans	-121	123.3	164.5	-64.9	0	0	0	0	110.5	H575 R577 F580 K582 R583	S571-H575 CarbonylContact C-O 3.57Å; S571-H575 VanDerWaalsContact CA-O 3.27Å; S571-H575 WeakPolarHBondContact CA-O 3.31Å; S571-R577 PolarHBondContact OG-N 3.31Å; S571-R577 PolarHBondContact OG-O 3.48Å; S571-F580 WeakPolarHBondContact CB-O 3.37Å; S571-F580 PolarHBondContact N-O 3.41Å; S571-F580 PolarHBondContact OG-O 3.06Å; S571-K582 PolarHBondContact N-O 3.21Å; S571-R583 WeakPolarHBondContact O-CA 3.34Å; S571-R583 WeakPolarHBondContact O-CB 3.44Å; S571-R583 PolarHBondContact O-N 2.79Å
572	R	98.8	Very high	98.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.008	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-148	129.6	-178.8	-172.5	-175.9	-60.1	-87.3	-8.2	110.2	D113 F274 A432 E570 A574 H575 R583 I584 D585	D113-R572 HydrophobicContact CB-CG 3.79Å; D113-R572 PolarHBondContact O-NH1 3.44Å; D113-R572 WeakPolarHBondContact OD2-CA 3.28Å; D113-R572 WeakPolarHBondContact OD2-CG 3.47Å; F274-R572 HydrophobicContact CE1-CB 4.42Å; A432-R572 HydrophobicContact CB-CB 4.37Å; A432-R572 HydrophobicContact CB-CG 3.67Å; E570-R572 IonicContact OE1-CZ 3.87Å; E570-R572 IonicContact OE1-NE 3.07Å; E570-R572 PolarHBondContact OE1-NE 3.34Å; E570-R572 IonicContact OE1-NH2 3.23Å; E570-R572 PolarHBondContact OE1-NH2 2.86Å; E570-R572 IonicContact OE2-CZ 3.28Å; E570-R572 IonicContact OE2-NE 2.89Å; E570-R572 IonicContact OE2-NH2 3.97Å; E570-R572 PolarHBondContact OE2-NH2 2.86Å; R572-A574 PolarHBondContact O-N 2.9Å; R572-H575 PolarHBondContact N-O 2.94Å; R572-H575 PolarHBondContact O-N 3.32Å; R572-R583 HydrophobicContact CB-CG 4.31Å; R572-R583 HydrophobicContact CG-CG 4.26Å; R572-R583 VanDerWaalsContact CZ-CG 3.43Å; R572-R583 VanDerWaalsContact NH1-CD 3.31Å; R572-R583 VanDerWaalsContact NH2-CG 3.32Å; R572-I584 PolarHBondContact NH2-O 2.92Å; R572-D585 IonicContact CZ-OD1 3.52Å; R572-D585 VanDerWaalsContact CZ-OD1 3.3Å; R572-D585 IonicContact NH1-OD1 2.75Å; R572-D585 PolarHBondContact NH1-OD1 2.78Å; R572-D585 IonicContact NH2-OD1 3.41Å; R572-D585 PolarHBondContact NH2-OD1 3.48Å
573	G	98.7	Very high	98.5	Very high	4 Å²	4	40 Å²	40	4%	0.041	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-124.3	-179.4	0	0	0	0	0	112.6	D113 R327 H575	D113-G573 PolarHBondContact OD2-N 2.88Å; R327-G573 PolarHBondContact NH1-O 2.88Å; G573-H575 VanDerWaalsContact C-N 3.28Å; G573-H575 PolarHBondContact O-N 2.69Å
574	A	98.7	Very high	98.5	Very high	7 Å²	7	40.7 Å²	40.7	6%	0.058	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11	-179.4	0	0	0	0	0	114.8	V275 D323 M392 A432 R572	V275-A574 WeakPolarHBondContact O-CB 3.4Å; D323-A574 HydrophobicContact CB-CB 4.41Å; M392-A574 HydrophobicContact CE-CB 3.74Å; A432-A574 WeakPolarHBondContact O-CB 3.32Å; A432-A574 PolarHBondContact O-N 2.95Å; R572-A574 PolarHBondContact O-N 2.9Å
575	H	98.9	Very high	98.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-91.6	103.9	175.7	-176	74.7	0	0	0	110.2	F274 R510 A565 R568 E570 S571 R572 G573 R577	F274-H575 HydrophobicContact CD1-CB 3.87Å; F274-H575 HydrophobicContact CE1-CB 3.65Å; R510-H575 PolarHBondContact NH1-ND1 3.12Å; A565-H575 PolarHBondContact O-CE1 3.03Å; R568-H575 PolarHBondContact O-NE2 2.76Å; E570-H575 PolarHBondContact O-CD2 2.96Å; E570-H575 VanDerWaalsContact O-CD2 3.31Å; S571-H575 CarbonylContact C-O 3.57Å; S571-H575 VanDerWaalsContact CA-O 3.27Å; S571-H575 WeakPolarHBondContact CA-O 3.31Å; R572-H575 PolarHBondContact N-O 2.94Å; R572-H575 PolarHBondContact O-N 3.32Å; G573-H575 VanDerWaalsContact C-N 3.28Å; G573-H575 PolarHBondContact O-N 2.69Å; H575-R577 VanDerWaalsContact NE2-CG 3.29Å; H575-R577 WeakPolarHBondContact NE2-CG 3.34Å
576	A	98.6	Very high	98.5	Very high	8 Å²	8	41.4 Å²	41.4	7%	0.066	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	110.2	-178.5	0	0	0	0	0	112	F509 R510	F509-A576 HydrophobicContact CD1-CB 4.18Å; F509-A576 HydrophobicContact CE1-CB 4.41Å; R510-A576 PolarHBondContact N-O 2.73Å
577	R	98.5	Very high	98.5	Very high	6 Å²	6	43.4 Å²	43.4	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.8	178.2	-71.6	-74.2	-64.5	-98.4	5.6	110.1	R510 G512 A565 S566 R568 E570 S571 H575 D579 F580 K581	R510-R577 CarbonylContact O-C 3.12Å; R510-R577 VanDerWaalsContact O-CA 3.31Å; R510-R577 WeakPolarHBondContact O-CA 3.16Å; G512-R577 VanDerWaalsContact CA-NH2 3.32Å; A565-R577 PolarHBondContact O-NH1 3.36Å; S566-R577 PolarHBondContact O-NH1 3.23Å; R568-R577 PolarHBondContact O-NH1 2.99Å; E570-R577 VanDerWaalsContact O-CG 3.3Å; E570-R577 WeakPolarHBondContact O-CG 3.45Å; S571-R577 PolarHBondContact OG-N 3.31Å; S571-R577 PolarHBondContact OG-O 3.48Å; H575-R577 VanDerWaalsContact NE2-CG 3.29Å; H575-R577 WeakPolarHBondContact NE2-CG 3.34Å; R577-D579 IonicContact CZ-OD1 2.69Å; R577-D579 IonicContact CZ-OD2 3.21Å; R577-D579 IonicContact NE-OD1 3.57Å; R577-D579 PolarHBondContact NE-OD1 2.9Å; R577-D579 IonicContact NE-OD2 2.77Å; R577-D579 IonicContact NH2-OD1 3.55Å; R577-D579 IonicContact NH2-OD2 2.79Å; R577-D579 PolarHBondContact NH2-OD2 3.43Å; R577-D579 PolarHBondContact O-N 2.93Å; R577-F580 HydrophobicContact CB-CB 3.85Å; R577-F580 CarbonylContact O-C 3.55Å; R577-F580 PolarHBondContact O-N 3.33Å; R577-F580 VanDerWaalsContact O-N 3.08Å; R577-K581 WeakPolarHBondContact O-CA 3.21Å; R577-K581 PolarHBondContact O-N 3.49Å
578	E	97.6	Very high	98.4	Very high	67 Å²	67	45 Å²	45	31%	0.313	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.6	178.5	-63.4	-175	89	0	0	112.2	R334 F509 R510 T511 K581	R334-E578 IonicContact CZ-OE1 3.14Å; R334-E578 IonicContact CZ-OE2 3.52Å; R334-E578 VanDerWaalsContact NH1-CD 3.32Å; R334-E578 IonicContact NH1-OE1 2.65Å; R334-E578 PolarHBondContact NH1-OE1 3.48Å; R334-E578 IonicContact NH1-OE2 3.17Å; R334-E578 PolarHBondContact NH1-OE2 3.22Å; R334-E578 IonicContact NH2-OE1 2.74Å; R334-E578 PolarHBondContact NH2-OE1 2.95Å; R334-E578 IonicContact NH2-OE2 2.93Å; F509-E578 HydrophobicContact CB-CG 4.31Å; F509-E578 HydrophobicContact CD1-CG 3.93Å; F509-E578 HydrophobicContact CG-CG 4.44Å; R510-E578 PolarHBondContact O-N 3.33Å; T511-E578 HydrophobicContact CG2-CB 3.85Å; E578-K581 WeakPolarHBondContact O-CE 3.5Å; E578-K581 VanDerWaalsContact O-CG 3.29Å; E578-K581 WeakPolarHBondContact O-CG 3.39Å
579	D	98.3	Very high	98.4	Very high	69 Å²	69	47 Å²	47	37%	0.369	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-14	172.6	58.7	-31	0	0	0	113.8	G512 R577	G512-D579 WeakPolarHBondContact CA-OD2 3.39Å; G512-D579 PolarHBondContact N-OD1 2.91Å; G512-D579 PolarHBondContact N-OD2 3.24Å; R577-D579 IonicContact CZ-OD1 2.69Å; R577-D579 IonicContact CZ-OD2 3.21Å; R577-D579 IonicContact NE-OD1 3.57Å; R577-D579 PolarHBondContact NE-OD1 2.9Å; R577-D579 IonicContact NE-OD2 2.77Å; R577-D579 IonicContact NH2-OD1 3.55Å; R577-D579 IonicContact NH2-OD2 2.79Å; R577-D579 PolarHBondContact NH2-OD2 3.43Å; R577-D579 PolarHBondContact O-N 2.93Å
580	F	98.2	Very high	98.3	Very high	77 Å²	77	45.6 Å²	45.6	34%	0.338	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-137.8	67.5	175.7	-66.1	-86.2	0	0	0	111	K569 E570 S571 R577 K582	K569-F580 HydrophobicContact CB-CD1 3.88Å; K569-F580 HydrophobicContact CB-CD2 3.93Å; K569-F580 HydrophobicContact CB-CE1 3.87Å; K569-F580 HydrophobicContact CB-CE2 3.93Å; K569-F580 HydrophobicContact CB-CG 3.92Å; K569-F580 HydrophobicContact CB-CZ 3.91Å; K569-F580 HydrophobicContact CD-CE1 4.48Å; K569-F580 HydrophobicContact CD-CE2 4.18Å; K569-F580 HydrophobicContact CD-CZ 3.92Å; K569-F580 HydrophobicContact CG-CD2 4.15Å; K569-F580 HydrophobicContact CG-CE1 4.42Å; K569-F580 HydrophobicContact CG-CE2 3.79Å; K569-F580 HydrophobicContact CG-CZ 3.94Å; K569-F580 WeakPolarHBondContact O-CD1 3.45Å; E570-F580 CarbonylContact C-O 3.33Å; S571-F580 WeakPolarHBondContact CB-O 3.37Å; S571-F580 PolarHBondContact N-O 3.41Å; S571-F580 PolarHBondContact OG-O 3.06Å; R577-F580 HydrophobicContact CB-CB 3.85Å; R577-F580 CarbonylContact O-C 3.55Å; R577-F580 PolarHBondContact O-N 3.33Å; R577-F580 VanDerWaalsContact O-N 3.08Å; F580-K582 VanDerWaalsContact C-N 3.26Å; F580-K582 PolarHBondContact O-N 3.04Å
581	K	98	Very high	98.2	Very high	163 Å²	163	51.6 Å²	51.6	71%	0.709	25%	0.247	S	C	*	.			trans	-68.2	-16.6	-168.5	-56.6	-172.3	-178.7	-174.4	0	115.9	R577 E578	R577-K581 WeakPolarHBondContact O-CA 3.21Å; R577-K581 PolarHBondContact O-N 3.49Å; E578-K581 WeakPolarHBondContact O-CE 3.5Å; E578-K581 VanDerWaalsContact O-CG 3.29Å; E578-K581 WeakPolarHBondContact O-CG 3.39Å
582	K	97.7	Very high	98.1	Very high	168 Å²	168	55.8 Å²	55.8	73%	0.73	27%	0.273	S	S	*	.	S	Bend	trans	-93.7	145.1	-175	-65.5	-175.9	178.8	-178.1	0	110.6	E570 S571 F580	E570-K582 WeakPolarHBondContact CB-O 3.41Å; S571-K582 PolarHBondContact N-O 3.21Å; F580-K582 VanDerWaalsContact C-N 3.26Å; F580-K582 PolarHBondContact O-N 3.04Å
583	R	98.4	Very high	98	Very high	55 Å²	55	59.6 Å²	59.6	21%	0.208	29%	0.293	C	S	.	.			trans	-73.7	132.8	161.6	-165.4	-176.3	82	-156.5	-2.9	108.6	D113 S571 R572 D585 K643	D113-R583 WeakPolarHBondContact OD1-CD 3.26Å; D113-R583 IonicContact OD1-CZ 3.8Å; D113-R583 IonicContact OD1-NE 2.63Å; D113-R583 IonicContact OD1-NH1 3.42Å; D113-R583 PolarHBondContact OD1-NH1 2.77Å; S571-R583 WeakPolarHBondContact O-CA 3.34Å; S571-R583 WeakPolarHBondContact O-CB 3.44Å; S571-R583 PolarHBondContact O-N 2.79Å; R572-R583 HydrophobicContact CB-CG 4.31Å; R572-R583 HydrophobicContact CG-CG 4.26Å; R572-R583 VanDerWaalsContact CZ-CG 3.43Å; R572-R583 VanDerWaalsContact NH1-CD 3.31Å; R572-R583 VanDerWaalsContact NH2-CG 3.32Å; R583-D585 IonicContact CZ-OD2 3.53Å; R583-D585 IonicContact NE-OD1 2.82Å; R583-D585 PolarHBondContact NE-OD1 2.94Å; R583-D585 IonicContact NE-OD2 3.29Å; R583-D585 PolarHBondContact NE-OD2 3.46Å; R583-D585 IonicContact NH2-OD2 3.7Å; R583-D585 PolarHBondContact NH2-OD2 2.85Å; R583-K643 PolarHBondContact NH1-O 3.42Å; R583-K643 PolarHBondContact NH2-O 2.98Å
584	I	98.4	Very high	97.9	Very high	52 Å²	52	68.5 Å²	68.5	27%	0.267	33%	0.334	S	S	.	.			trans	-119.3	97.8	-174.9	-52.9	179.1	0	0	0	109	E570 R572 L599 H604 W605 R606	E570-I584 HydrophobicContact CB-CB 4.37Å; E570-I584 HydrophobicContact CB-CD1 4.25Å; E570-I584 HydrophobicContact CB-CG1 4.06Å; E570-I584 PolarHBondContact OE2-N 2.81Å; R572-I584 PolarHBondContact NH2-O 2.92Å; I584-L599 HydrophobicContact CG2-CD1 4.48Å; I584-H604 HydrophobicContact CG2-CB 4.32Å; I584-W605 PolarHBondContact O-N 3.17Å; I584-R606 PolarHBondContact O-N 3.2Å
585	D	98.6	Very high	97.7	Very high	9 Å²	9	72.1 Å²	72.1	5%	0.048	37%	0.372	C	S	.	.			trans	-95	175.1	174.7	-50.8	-47.9	0	0	0	110.7	R572 R583 Y587 Y589 H604 R606	R572-D585 IonicContact CZ-OD1 3.52Å; R572-D585 VanDerWaalsContact CZ-OD1 3.3Å; R572-D585 IonicContact NH1-OD1 2.75Å; R572-D585 PolarHBondContact NH1-OD1 2.78Å; R572-D585 IonicContact NH2-OD1 3.41Å; R572-D585 PolarHBondContact NH2-OD1 3.48Å; R583-D585 IonicContact CZ-OD2 3.53Å; R583-D585 IonicContact NE-OD1 2.82Å; R583-D585 PolarHBondContact NE-OD1 2.94Å; R583-D585 IonicContact NE-OD2 3.29Å; R583-D585 PolarHBondContact NE-OD2 3.46Å; R583-D585 IonicContact NH2-OD2 3.7Å; R583-D585 PolarHBondContact NH2-OD2 2.85Å; D585-Y587 PolarHBondContact O-N 3.46Å; D585-Y589 HydrophobicContact CB-CD2 3.74Å; D585-Y589 HydrophobicContact CB-CE2 3.78Å; D585-H604 WeakPolarHBondContact O-CB 3.24Å; D585-R606 HydrophobicContact CB-CB 4.37Å
586	E	98.5	Very high	97.7	Very high	5 Å²	5	74.5 Å²	74.5	2%	0.023	38%	0.383	C	S	.	.	S	Bend	trans	-68.4	-14.3	178.1	71.7	-72.5	176.7	0	0	114	Y589 K598 L599 R606	E586-Y589 PolarHBondContact OE1-OH 3.17Å; E586-K598 HydrophobicContact CB-CG 3.99Å; E586-K598 HydrophobicContact CG-CD 4.36Å; E586-K598 HydrophobicContact CG-CG 4.11Å; E586-K598 CarbonylContact O-C 3.44Å; E586-K598 WeakPolarHBondContact O-CA 3.28Å; E586-L599 PolarHBondContact O-N 3.36Å; E586-R606 VanDerWaalsContact CD-NH2 3.28Å; E586-R606 IonicContact OE1-CZ 2.9Å; E586-R606 IonicContact OE1-NE 2.9Å; E586-R606 PolarHBondContact OE1-NE 3.25Å; E586-R606 IonicContact OE1-NH2 2.8Å; E586-R606 PolarHBondContact OE1-NH2 3.42Å; E586-R606 IonicContact OE2-CZ 3.76Å; E586-R606 IonicContact OE2-NE 3.78Å; E586-R606 PolarHBondContact OE2-NE 2.93Å; E586-R606 IonicContact OE2-NH2 2.96Å; E586-R606 PolarHBondContact OE2-NH2 3.21Å
587	Y	98.4	Very high	97.6	Very high	66 Å²	66	80.2 Å²	80.2	26%	0.259	42%	0.417	S	S	.	.	S	Bend	trans	-134.6	161.2	170	-64.5	-73.9	0	0	0	109.9	D585 Y589 L593 Q596 K598	D585-Y587 PolarHBondContact O-N 3.46Å; Y587-Y589 HydrophobicContact CD2-CE2 4.29Å; Y587-Y589 AromaticContact CD2-CZ 3.93Å; Y587-Y589 VanDerWaalsContact O-CD2 3.32Å; Y587-Y589 WeakPolarHBondContact O-CD2 3.4Å; Y587-Y589 PolarHBondContact O-N 3.23Å; Y587-L593 HydrophobicContact CD2-CD2 4.44Å; Y587-L593 HydrophobicContact CG-CD2 4.03Å; Y587-Q596 HydrophobicContact CD1-CB 3.98Å; Y587-Q596 HydrophobicContact CE1-CB 4.48Å; Y587-K598 HydrophobicContact CD1-CB 4.34Å; Y587-K598 VanDerWaalsContact CE1-CA 3.45Å; Y587-K598 HydrophobicContact CE1-CB 3.53Å; Y587-K598 HydrophobicContact CE1-CG 4.06Å; Y587-K598 HydrophobicContact CE2-CB 4.36Å; Y587-K598 HydrophobicContact CE2-CD 4.11Å; Y587-K598 HydrophobicContact CE2-CG 4.03Å
588	D	97.8	Very high	97.6	Very high	60 Å²	60	85.6 Å²	85.6	32%	0.321	44%	0.441	S	S	.	.			trans	-83.1	86.4	166.6	-174.9	-2.6	0	0	0	109.6	S590 K591 Q596	D588-S590 PolarHBondContact O-N 3.14Å; D588-S590 WeakPolarHBondContact OD1-CB 3.45Å; D588-S590 PolarHBondContact OD1-N 3.22Å; D588-S590 VanDerWaalsContact OD1-N 3.12Å; D588-S590 PolarHBondContact OD1-OG 3.21Å; D588-K591 PolarHBondContact O-N 3.18Å; D588-K591 VanDerWaalsContact O-N 3.1Å; D588-K591 WeakPolarHBondContact OD2-CD 3.49Å; D588-K591 VanDerWaalsContact OD2-CE 3.28Å; D588-K591 WeakPolarHBondContact OD2-CE 3.38Å; D588-K591 IonicContact OD2-NZ 3.33Å; D588-K591 PolarHBondContact OD2-NZ 2.8Å; D588-Q596 PolarHBondContact O-NE2 2.92Å
589	Y	97.7	Very high	97.6	Very high	40 Å²	40	85.5 Å²	85.5	16%	0.157	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	4.4	178.5	-69.7	-83.4	0	0	0	114.3	D585 E586 Y587 K591 L593 P642	D585-Y589 HydrophobicContact CB-CD2 3.74Å; D585-Y589 HydrophobicContact CB-CE2 3.78Å; E586-Y589 PolarHBondContact OE1-OH 3.17Å; Y587-Y589 HydrophobicContact CD2-CE2 4.29Å; Y587-Y589 AromaticContact CD2-CZ 3.93Å; Y587-Y589 VanDerWaalsContact O-CD2 3.32Å; Y587-Y589 WeakPolarHBondContact O-CD2 3.4Å; Y587-Y589 PolarHBondContact O-N 3.23Å; Y589-K591 VanDerWaalsContact C-N 3.3Å; Y589-L593 HydrophobicContact CD1-CD2 3.92Å; Y589-L593 HydrophobicContact CE1-CD1 4.13Å; Y589-L593 HydrophobicContact CE1-CD2 4Å; Y589-P642 HydrophobicContact CD1-CB 4.03Å; Y589-P642 WeakPolarHBondContact CD1-O 3.03Å; Y589-P642 HydrophobicContact CD2-CB 3.6Å; Y589-P642 HydrophobicContact CD2-CG 4.21Å; Y589-P642 HydrophobicContact CE1-CB 4.07Å; Y589-P642 HydrophobicContact CE1-CG 4.17Å; Y589-P642 HydrophobicContact CE2-CB 3.64Å; Y589-P642 HydrophobicContact CE2-CG 3.71Å; Y589-P642 HydrophobicContact CG-CB 3.79Å
590	S	96.6	Very high	97.6	Very high	77 Å²	77	85.1 Å²	85.1	54%	0.538	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.8	167.5	76.5	0	0	0	0	113.2	D588	D588-S590 PolarHBondContact O-N 3.14Å; D588-S590 WeakPolarHBondContact OD1-CB 3.45Å; D588-S590 PolarHBondContact OD1-N 3.22Å; D588-S590 VanDerWaalsContact OD1-N 3.12Å; D588-S590 PolarHBondContact OD1-OG 3.21Å
591	K	96.9	Very high	97.5	Very high	127 Å²	127	84.8 Å²	84.8	55%	0.552	44%	0.442	S	S	*	.	S	Bend	trans	-128.9	163.3	-177.9	-63.4	174.3	-170.5	141.3	0	110.6	D588 Y589 L593	D588-K591 PolarHBondContact O-N 3.18Å; D588-K591 VanDerWaalsContact O-N 3.1Å; D588-K591 WeakPolarHBondContact OD2-CD 3.49Å; D588-K591 VanDerWaalsContact OD2-CE 3.28Å; D588-K591 WeakPolarHBondContact OD2-CE 3.38Å; D588-K591 IonicContact OD2-NZ 3.33Å; D588-K591 PolarHBondContact OD2-NZ 2.8Å; Y589-K591 VanDerWaalsContact C-N 3.3Å; K591-L593 PolarHBondContact O-N 3.41Å
592	P	96.3	Very high	97.5	Very high	109 Å²	109	83.9 Å²	83.9	71%	0.708	44%	0.44	S	S	*	.			trans	-52.7	139.7	168.5	-25.3	35.1	0	0	0	111.6	E594 Q596	P592-E594 VanDerWaalsContact C-N 3.33Å; P592-Q596 PolarHBondContact O-NE2 3.43Å
593	L	96.7	Very high	97.5	Very high	83 Å²	83	83 Å²	83	44%	0.435	44%	0.437	S	S	.	.	S	Bend	trans	-76.3	-21.4	-178	-63	-178.6	0	0	0	113.2	Y587 Y589 K591 G595 Q596	Y587-L593 HydrophobicContact CD2-CD2 4.44Å; Y587-L593 HydrophobicContact CG-CD2 4.03Å; Y589-L593 HydrophobicContact CD1-CD2 3.92Å; Y589-L593 HydrophobicContact CE1-CD1 4.13Å; Y589-L593 HydrophobicContact CE1-CD2 4Å; K591-L593 PolarHBondContact O-N 3.41Å; L593-G595 PolarHBondContact O-N 3.31Å; L593-Q596 WeakPolarHBondContact O-CB 3.41Å; L593-Q596 PolarHBondContact O-N 2.97Å
594	E	96	Very high	97.5	Very high	190 Å²	190	80.9 Å²	80.9	89%	0.888	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	127.5	-179.1	-168.5	167.7	-175.5	0	0	111	P592 Q596	P592-E594 VanDerWaalsContact C-N 3.33Å; E594-Q596 VanDerWaalsContact C-N 3.27Å; E594-Q596 PolarHBondContact O-N 3.5Å
595	G	96	Very high	97.5	Very high	83 Å²	83	80.1 Å²	80.1	86%	0.856	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-5.2	-176.8	0	0	0	0	0	115.8	L593	L593-G595 PolarHBondContact O-N 3.31Å
596	Q	97.7	Very high	97.5	Very high	51 Å²	51	80.6 Å²	80.6	24%	0.238	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-73.5	142	174.2	-64	-164.7	29.9	0	0	111.7	Y587 D588 P592 L593 E594	Y587-Q596 HydrophobicContact CD1-CB 3.98Å; Y587-Q596 HydrophobicContact CE1-CB 4.48Å; D588-Q596 PolarHBondContact O-NE2 2.92Å; P592-Q596 PolarHBondContact O-NE2 3.43Å; L593-Q596 WeakPolarHBondContact O-CB 3.41Å; L593-Q596 PolarHBondContact O-N 2.97Å; E594-Q596 VanDerWaalsContact C-N 3.27Å; E594-Q596 PolarHBondContact O-N 3.5Å
597	T	97.5	Very high	97.5	Very high	127 Å²	127	80.6 Å²	80.6	78%	0.779	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-92	123.4	168.5	-59.5	0	0	0	0	109.4	L599	T597-L599 PolarHBondContact O-N 3.19Å
598	K	97.9	Very high	97.5	Very high	119 Å²	119	77.5 Å²	77.5	52%	0.517	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-59	127.9	175.6	-169.6	173	168.8	163.1	0	110.5	E586 Y587	E586-K598 HydrophobicContact CB-CG 3.99Å; E586-K598 HydrophobicContact CG-CD 4.36Å; E586-K598 HydrophobicContact CG-CG 4.11Å; E586-K598 CarbonylContact O-C 3.44Å; E586-K598 WeakPolarHBondContact O-CA 3.28Å; Y587-K598 HydrophobicContact CD1-CB 4.34Å; Y587-K598 VanDerWaalsContact CE1-CA 3.45Å; Y587-K598 HydrophobicContact CE1-CB 3.53Å; Y587-K598 HydrophobicContact CE1-CG 4.06Å; Y587-K598 HydrophobicContact CE2-CB 4.36Å; Y587-K598 HydrophobicContact CE2-CD 4.11Å; Y587-K598 HydrophobicContact CE2-CG 4.03Å
599	L	98	Very high	97.5	Very high	65 Å²	65	74.7 Å²	74.7	34%	0.34	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-65.7	137.1	171	-63.2	-179.9	0	0	0	109.7	I584 E586 T597 K603 H604	I584-L599 HydrophobicContact CG2-CD1 4.48Å; E586-L599 PolarHBondContact O-N 3.36Å; T597-L599 PolarHBondContact O-N 3.19Å; L599-K603 HydrophobicContact CB-CB 4.42Å; L599-H604 HydrophobicContact CB-CB 4.29Å; L599-H604 HydrophobicContact CD1-CB 4.25Å
600	P	98	Very high	97.6	Very high	62 Å²	62	73 Å²	73	40%	0.403	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-65	157.7	173	29.5	-35.5	0	0	0	110.7	E602 K603 H604	P600-E602 PolarHBondContact O-N 3.21Å; P600-K603 HydrophobicContact CG-CB 4.01Å; P600-K603 HydrophobicContact CG-CD 3.72Å; P600-K603 HydrophobicContact CG-CG 3.82Å; P600-K603 PolarHBondContact O-N 3.22Å; P600-H604 PolarHBondContact O-CD2 2.91Å; P600-H604 VanDerWaalsContact O-CD2 3.27Å
601	F	96.9	Very high	97.7	Very high	69 Å²	69	69.3 Å²	69.3	30%	0.303	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-54.3	-31.1	-171.8	-174.7	-108.3	0	0	0	113.8	K603 K607 A626	F601-K603 VanDerWaalsContact C-N 3.33Å; F601-K603 PolarHBondContact O-N 3.03Å; F601-K607 HydrophobicContact CD2-CD 4.41Å; F601-K607 HydrophobicContact CE1-CD 4.13Å; F601-K607 HydrophobicContact CE2-CB 3.65Å; F601-K607 HydrophobicContact CE2-CD 3.94Å; F601-K607 HydrophobicContact CE2-CG 4.45Å; F601-K607 HydrophobicContact CZ-CB 3.8Å; F601-K607 HydrophobicContact CZ-CD 3.79Å; F601-K607 HydrophobicContact CZ-CG 4.39Å; F601-K607 PolarHBondContact O-NZ 3.38Å; F601-A626 HydrophobicContact CE2-CB 4.25Å
602	E	96.5	Very high	97.8	Very high	145 Å²	145	65.8 Å²	65.8	68%	0.678	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-75.4	-20.6	-179.8	-57.7	69.8	-147	0	0	112.7	P600	P600-E602 PolarHBondContact O-N 3.21Å
603	K	97.8	Very high	97.8	Very high	150 Å²	150	61.1 Å²	61.1	65%	0.652	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-103.3	-2.6	-173.2	-68	-171	-179.1	-179	0	114.9	L599 P600 F601	L599-K603 HydrophobicContact CB-CB 4.42Å; P600-K603 HydrophobicContact CG-CB 4.01Å; P600-K603 HydrophobicContact CG-CD 3.72Å; P600-K603 HydrophobicContact CG-CG 3.82Å; P600-K603 PolarHBondContact O-N 3.22Å; F601-K603 VanDerWaalsContact C-N 3.33Å; F601-K603 PolarHBondContact O-N 3.03Å
604	H	98.4	Very high	97.9	Very high	10 Å²	10	60.7 Å²	60.7	5%	0.046	32%	0.315	C	S	.	.			trans	-125.8	169.5	172.4	73.2	86.1	0	0	0	111.7	I584 D585 L599 P600 R606 K607	I584-H604 HydrophobicContact CG2-CB 4.32Å; D585-H604 WeakPolarHBondContact O-CB 3.24Å; L599-H604 HydrophobicContact CB-CB 4.29Å; L599-H604 HydrophobicContact CD1-CB 4.25Å; P600-H604 PolarHBondContact O-CD2 2.91Å; P600-H604 VanDerWaalsContact O-CD2 3.27Å; H604-R606 PolarHBondContact CE1-O 2.58Å; H604-R606 PolarHBondContact ND1-N 2.93Å; H604-K607 WeakPolarHBondContact O-CE 3.31Å; H604-K607 PolarHBondContact O-NZ 3.1Å
605	W	98.7	Very high	97.9	Very high	36 Å²	36	53.8 Å²	53.8	14%	0.136	29%	0.286	C	S	.	.			trans	-118.9	-1.3	-171.6	-74.4	110.6	0	0	0	115	A567 R568 K569 E570 I584 K607 Y624	A567-W605 WeakPolarHBondContact O-CH2 3.23Å; A567-W605 VanDerWaalsContact O-CZ2 3.27Å; A567-W605 WeakPolarHBondContact O-CZ2 3.22Å; R568-W605 HydrophobicContact CB-CE3 4.43Å; R568-W605 HydrophobicContact CB-CZ3 4.27Å; R568-W605 HydrophobicContact CG-CD2 4.35Å; R568-W605 HydrophobicContact CG-CE3 4.04Å; R568-W605 HydrophobicContact CG-CZ3 4.38Å; R568-W605 PolarHBondContact NH1-O 3.37Å; K569-W605 HydrophobicContact CB-CZ2 4.1Å; K569-W605 PolarHBondContact O-NE1 2.98Å; E570-W605 HydrophobicContact CB-CB 4.11Å; E570-W605 HydrophobicContact CB-CG 4.05Å; E570-W605 HydrophobicContact CG-CB 3.57Å; E570-W605 HydrophobicContact CG-CG 3.8Å; E570-W605 VanDerWaalsContact OE1-CB 3.22Å; E570-W605 WeakPolarHBondContact OE1-CB 3.33Å; E570-W605 WeakPolarHBondContact OE2-CB 3.36Å; I584-W605 PolarHBondContact O-N 3.17Å; W605-K607 PolarHBondContact O-N 3Å; W605-Y624 HydrophobicContact CE3-CE1 4.33Å; W605-Y624 HydrophobicContact CH2-CE1 4.46Å; W605-Y624 WeakPolarHBondContact CH2-OH 3.4Å; W605-Y624 AromaticContact CZ3-CE1 3.57Å; W605-Y624 HydrophobicContact CZ3-CE1 3.57Å; W605-Y624 AromaticContact CZ3-CZ 3.57Å; W605-Y624 WeakPolarHBondContact CZ3-OH 3.39Å
606	R	98.7	Very high	97.8	Very high	18 Å²	18	53.1 Å²	53.1	7%	0.068	27%	0.273	C	S	.	.			trans	-68.1	72	166.1	-160.2	172.8	74.4	86.4	-4.3	112.1	W114 I584 D585 E586 H604 V627 D629	W114-R606 WeakPolarHBondContact O-CG 3.3Å; I584-R606 PolarHBondContact O-N 3.2Å; D585-R606 HydrophobicContact CB-CB 4.37Å; E586-R606 VanDerWaalsContact CD-NH2 3.28Å; E586-R606 IonicContact OE1-CZ 2.9Å; E586-R606 IonicContact OE1-NE 2.9Å; E586-R606 PolarHBondContact OE1-NE 3.25Å; E586-R606 IonicContact OE1-NH2 2.8Å; E586-R606 PolarHBondContact OE1-NH2 3.42Å; E586-R606 IonicContact OE2-CZ 3.76Å; E586-R606 IonicContact OE2-NE 3.78Å; E586-R606 PolarHBondContact OE2-NE 2.93Å; E586-R606 IonicContact OE2-NH2 2.96Å; E586-R606 PolarHBondContact OE2-NH2 3.21Å; H604-R606 PolarHBondContact CE1-O 2.58Å; H604-R606 PolarHBondContact ND1-N 2.93Å; R606-V627 HydrophobicContact CG-CG2 4.3Å; R606-D629 IonicContact CZ-OD1 2.77Å; R606-D629 IonicContact CZ-OD2 2.67Å; R606-D629 VanDerWaalsContact NH1-CG 3.27Å; R606-D629 IonicContact NH1-OD1 3.63Å; R606-D629 PolarHBondContact NH1-OD1 2.73Å; R606-D629 IonicContact NH1-OD2 3.78Å; R606-D629 PolarHBondContact NH1-OD2 2.77Å; R606-D629 IonicContact NH2-OD1 3.09Å; R606-D629 IonicContact NH2-OD2 3.61Å; R606-D629 PolarHBondContact NH2-OD2 3.43Å
607	K	98.5	Very high	97.7	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	145.2	-175.9	62.1	-167.1	-179.1	-170.1	0	109	L115 R568 F601 H604 W605 Y624 R625	L115-K607 WeakPolarHBondContact CD1-O 3.48Å; R568-K607 PolarHBondContact NH2-O 3.01Å; F601-K607 HydrophobicContact CD2-CD 4.41Å; F601-K607 HydrophobicContact CE1-CD 4.13Å; F601-K607 HydrophobicContact CE2-CB 3.65Å; F601-K607 HydrophobicContact CE2-CD 3.94Å; F601-K607 HydrophobicContact CE2-CG 4.45Å; F601-K607 HydrophobicContact CZ-CB 3.8Å; F601-K607 HydrophobicContact CZ-CD 3.79Å; F601-K607 HydrophobicContact CZ-CG 4.39Å; F601-K607 PolarHBondContact O-NZ 3.38Å; H604-K607 WeakPolarHBondContact O-CE 3.31Å; H604-K607 PolarHBondContact O-NZ 3.1Å; W605-K607 PolarHBondContact O-N 3Å; K607-Y624 HydrophobicContact CD-CD1 4.02Å; K607-Y624 HydrophobicContact CD-CD2 4.36Å; K607-Y624 HydrophobicContact CD-CG 3.75Å; K607-Y624 HydrophobicContact CG-CD1 3.89Å; K607-Y624 HydrophobicContact CG-CG 4.07Å; K607-R625 CarbonylContact C-O 3.53Å; K607-R625 WeakPolarHBondContact CA-O 3.33Å; K607-R625 WeakPolarHBondContact CB-O 3.36Å
608	H	98.8	Very high	97.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	141.1	176.5	-56.3	-84.5	0	0	0	110.3	L115 D117 D271 S428 Y624 R625	L115-H608 PolarHBondContact O-CE1 2.89Å; D117-H608 IonicContact OD1-CE1 2.94Å; D117-H608 IonicContact OD1-NE2 2.76Å; D117-H608 PolarHBondContact OD1-NE2 2.89Å; D117-H608 VanDerWaalsContact OD1-NE2 3.09Å; D117-H608 IonicContact OD2-CE1 2.87Å; D117-H608 IonicContact OD2-NE2 3.25Å; D271-H608 WeakPolarHBondContact OD1-CA 3.36Å; D271-H608 WeakPolarHBondContact OD1-CB 3.45Å; D271-H608 IonicContact OD1-ND1 3.84Å; D271-H608 IonicContact OD2-CE1 3.99Å; D271-H608 IonicContact OD2-CG 3.86Å; D271-H608 IonicContact OD2-ND1 3.84Å; D271-H608 PolarHBondContact OD2-ND1 3.01Å; S428-H608 PolarHBondContact OG-CE1 2.88Å; S428-H608 VanDerWaalsContact OG-CE1 3.3Å; H608-Y624 VanDerWaalsContact O-CA 3.24Å; H608-Y624 WeakPolarHBondContact O-CA 3.33Å; H608-Y624 WeakPolarHBondContact O-CD1 3.4Å; H608-R625 HydrophobicContact CB-CG 3.7Å; H608-R625 PolarHBondContact CD2-NH1 2.88Å; H608-R625 PolarHBondContact N-O 3.23Å; H608-R625 PolarHBondContact NE2-NH1 2.88Å; H608-R625 PolarHBondContact O-N 2.65Å; H608-R625 VanDerWaalsContact O-N 3.15Å
609	T	98.8	Very high	97.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.7	169.6	-59.8	0	0	0	0	108.4	S270 D271 E273 R568 L622 Y624	S270-T609 CarbonylContact C-O 3.48Å; S270-T609 WeakPolarHBondContact CA-O 3.29Å; S270-T609 PolarHBondContact OG-O 2.84Å; D271-T609 PolarHBondContact N-O 3.09Å; D271-T609 PolarHBondContact OD1-N 2.85Å; E273-T609 WeakPolarHBondContact OE1-CB 3.36Å; E273-T609 PolarHBondContact OE1-OG1 2.81Å; R568-T609 PolarHBondContact NH2-OG1 3.4Å; T609-L622 HydrophobicContact CG2-CD2 3.76Å; T609-Y624 HydrophobicContact CG2-CE1 4.32Å
610	L	98.7	Very high	97.6	Very high	3 Å²	3	47 Å²	47	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.8	166.6	-63.5	179.5	0	0	0	108.8	P268 N269 P396 K406 W612 L622 D623 R625	P268-L610 HydrophobicContact CB-CB 4.31Å; P268-L610 HydrophobicContact CB-CD2 4.37Å; N269-L610 WeakPolarHBondContact O-CA 3.4Å; P396-L610 HydrophobicContact CG-CD2 4.33Å; K406-L610 HydrophobicContact CB-CD1 4.37Å; K406-L610 HydrophobicContact CD-CD1 4.32Å; L610-W612 HydrophobicContact CB-CH2 3.7Å; L610-W612 HydrophobicContact CB-CZ3 3.57Å; L610-W612 HydrophobicContact CD1-CH2 3.92Å; L610-W612 HydrophobicContact CG-CH2 4.47Å; L610-L622 WeakPolarHBondContact O-CA 3.43Å; L610-D623 PolarHBondContact N-O 3.04Å; L610-D623 PolarHBondContact O-N 2.64Å; L610-R625 HydrophobicContact CD1-CB 4.12Å; L610-R625 HydrophobicContact CD1-CG 4.23Å; L610-R625 HydrophobicContact CD2-CG 4.22Å; L610-R625 HydrophobicContact CG-CG 4.2Å
611	V	98.7	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.9	-177.7	61.7	0	0	0	0	111.4	P268 N269 M272 Q560 T620 L622	P268-V611 WeakPolarHBondContact CA-O 3.49Å; N269-V611 HydrophobicContact CB-CG1 4.18Å; N269-V611 PolarHBondContact N-O 2.92Å; N269-V611 PolarHBondContact O-N 3.41Å; M272-V611 HydrophobicContact CG-CG1 3.8Å; Q560-V611 HydrophobicContact CB-CG1 3.88Å; Q560-V611 HydrophobicContact CB-CG2 4.08Å; Q560-V611 HydrophobicContact CG-CG1 3.95Å; Q560-V611 HydrophobicContact CG-CG2 3.74Å; V611-T620 HydrophobicContact CG2-CG2 4.34Å; V611-L622 HydrophobicContact CB-CD2 3.64Å; V611-L622 HydrophobicContact CG2-CD2 3.62Å
612	W	98.6	Very high	97.7	Very high	54 Å²	54	47.3 Å²	47.3	21%	0.205	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	157.2	167.6	-64.9	-100.9	0	0	0	108.9	P268 K406 L610 T620 T621 D623	P268-W612 HydrophobicContact CB-CD2 3.96Å; P268-W612 HydrophobicContact CB-CE3 4.37Å; P268-W612 HydrophobicContact CB-CH2 4.02Å; P268-W612 HydrophobicContact CB-CZ2 3.58Å; P268-W612 HydrophobicContact CB-CZ3 4.38Å; P268-W612 HydrophobicContact CG-CH2 4.36Å; P268-W612 HydrophobicContact CG-CZ2 3.65Å; K406-W612 HydrophobicContact CB-CH2 4.31Å; K406-W612 HydrophobicContact CB-CZ2 4.33Å; L610-W612 HydrophobicContact CB-CH2 3.7Å; L610-W612 HydrophobicContact CB-CZ3 3.57Å; L610-W612 HydrophobicContact CD1-CH2 3.92Å; L610-W612 HydrophobicContact CG-CH2 4.47Å; W612-T620 CarbonylContact O-C 3.51Å; W612-T620 WeakPolarHBondContact O-CA 3.4Å; W612-T620 WeakPolarHBondContact O-CB 3.48Å; W612-T621 PolarHBondContact N-O 3.37Å; W612-T621 PolarHBondContact O-N 2.94Å; W612-D623 HydrophobicContact CH2-CB 4.13Å; W612-D623 HydrophobicContact CZ3-CB 3.62Å
613	M	97.8	Very high	97.7	Very high	11 Å²	11	43.1 Å²	43.1	5%	0.054	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	135.6	175.8	-175.4	175.5	174.8	0	0	109.6	T263 Y526 L556 V559 Q560 P615 G618 K619 T620	T263-M613 HydrophobicContact CG2-CB 3.81Å; Y526-M613 HydrophobicContact CD2-CE 3.59Å; Y526-M613 HydrophobicContact CE1-CE 4.24Å; Y526-M613 HydrophobicContact CE2-CE 3.27Å; Y526-M613 HydrophobicContact CG-CE 4.22Å; L556-M613 HydrophobicContact CB-SD 4.34Å; L556-M613 HydrophobicContact CD2-CE 3.65Å; L556-M613 HydrophobicContact CD2-CG 4.3Å; L556-M613 HydrophobicContact CD2-SD 3.54Å; L556-M613 VanDerWaalsContact CD2-SD 3.54Å; V559-M613 HydrophobicContact CB-CE 3.72Å; V559-M613 HydrophobicContact CB-SD 4.06Å; V559-M613 HydrophobicContact CG1-CE 3.69Å; V559-M613 HydrophobicContact CG1-SD 3.99Å; V559-M613 HydrophobicContact CG2-CE 3.96Å; Q560-M613 HydrophobicContact CG-CB 4.4Å; Q560-M613 HydrophobicContact CG-SD 4.16Å; M613-P615 VanDerWaalsContact O-CD 3.25Å; M613-P615 WeakPolarHBondContact O-CD 3.48Å; M613-G618 VanDerWaalsContact CE-CA 3.43Å; M613-G618 WeakPolarHBondContact CE-O 3.46Å; M613-K619 WeakPolarHBondContact CA-O 3.29Å; M613-T620 HydrophobicContact CB-CG2 4.32Å; M613-T620 HydrophobicContact CG-CG2 4.16Å; M613-T620 HydrophobicContact SD-CG2 4.36Å
614	D	97.6	Very high	97.7	Very high	73 Å²	73	38 Å²	38	39%	0.39	20%	0.203	S	C	.	.			trans	-79.8	111.3	168.9	170.1	11.2	0	0	0	108.9	A616 T617 G618 K619	D614-A616 PolarHBondContact O-N 3.41Å; D614-A616 VanDerWaalsContact O-N 3.16Å; D614-A616 WeakPolarHBondContact OD1-CB 3.37Å; D614-A616 PolarHBondContact OD1-N 3.03Å; D614-T617 WeakPolarHBondContact CB-OG1 3.48Å; D614-T617 VanDerWaalsContact CG-OG1 3.29Å; D614-T617 PolarHBondContact O-N 2.85Å; D614-T617 VanDerWaalsContact OD2-CG2 3.29Å; D614-T617 WeakPolarHBondContact OD2-CG2 3.36Å; D614-T617 PolarHBondContact OD2-OG1 3.42Å; D614-G618 WeakPolarHBondContact O-CA 3.43Å; D614-G618 PolarHBondContact O-N 2.88Å; D614-K619 PolarHBondContact N-O 3.25Å
615	P	95.8	Very high	97.6	Very high	45 Å²	45	38.2 Å²	38.2	29%	0.292	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.9	-177.6	-20.4	33.6	0	0	0	113.5	R264 Y526 L556 M613	R264-P615 HydrophobicContact CB-CG 4.49Å; R264-P615 HydrophobicContact CG-CB 4.36Å; R264-P615 HydrophobicContact CG-CG 3.94Å; Y526-P615 WeakPolarHBondContact OH-CA 3.35Å; Y526-P615 PolarHBondContact OH-O 2.85Å; L556-P615 HydrophobicContact CD2-CB 4.49Å; M613-P615 VanDerWaalsContact O-CD 3.25Å; M613-P615 WeakPolarHBondContact O-CD 3.48Å
616	A	94.4	Very high	97.5	Very high	69 Å²	69	39.3 Å²	39.3	57%	0.57	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-32.7	-179.9	0	0	0	0	0	112.6	D614	D614-A616 PolarHBondContact O-N 3.41Å; D614-A616 VanDerWaalsContact O-N 3.16Å; D614-A616 WeakPolarHBondContact OD1-CB 3.37Å; D614-A616 PolarHBondContact OD1-N 3.03Å
617	T	95.2	Very high	97.5	Very high	74 Å²	74	39.1 Å²	39.1	45%	0.454	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-20.7	-174.3	60.4	0	0	0	0	113.8	D614 K619	D614-T617 WeakPolarHBondContact CB-OG1 3.48Å; D614-T617 VanDerWaalsContact CG-OG1 3.29Å; D614-T617 PolarHBondContact O-N 2.85Å; D614-T617 VanDerWaalsContact OD2-CG2 3.29Å; D614-T617 WeakPolarHBondContact OD2-CG2 3.36Å; D614-T617 PolarHBondContact OD2-OG1 3.42Å; T617-K619 PolarHBondContact O-N 3.31Å; T617-K619 WeakPolarHBondContact OG1-CB 3.19Å; T617-K619 PolarHBondContact OG1-N 3.45Å
618	G	95.5	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.			trans	78.9	1.3	-171.9	0	0	0	0	0	114.1	Q523 M613 D614 T620	Q523-G618 PolarHBondContact NE2-O 3.14Å; M613-G618 VanDerWaalsContact CE-CA 3.43Å; M613-G618 WeakPolarHBondContact CE-O 3.46Å; D614-G618 WeakPolarHBondContact O-CA 3.43Å; D614-G618 PolarHBondContact O-N 2.88Å; G618-T620 PolarHBondContact O-N 3.05Å
619	K	97.7	Very high	97.5	Very high	144 Å²	144	43.3 Å²	43.3	63%	0.626	24%	0.243	S	C	*	.			trans	-70.5	126.6	-178.7	-176.7	-177.2	178	-175.1	0	110.3	M613 D614 T617	M613-K619 WeakPolarHBondContact CA-O 3.29Å; D614-K619 PolarHBondContact N-O 3.25Å; T617-K619 PolarHBondContact O-N 3.31Å; T617-K619 WeakPolarHBondContact OG1-CB 3.19Å; T617-K619 PolarHBondContact OG1-N 3.45Å
620	T	98.4	Very high	97.4	Very high	17 Å²	17	46.4 Å²	46.4	10%	0.104	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	161.6	172.3	82.6	0	0	0	0	112.7	V559 E563 V611 W612 M613 G618	V559-T620 HydrophobicContact CG1-CG2 3.67Å; E563-T620 HydrophobicContact CB-CG2 4.43Å; E563-T620 HydrophobicContact CG-CG2 4.47Å; E563-T620 VanDerWaalsContact OE2-CB 3.23Å; E563-T620 WeakPolarHBondContact OE2-CB 3.37Å; E563-T620 WeakPolarHBondContact OE2-CG2 3.44Å; E563-T620 PolarHBondContact OE2-OG1 2.98Å; V611-T620 HydrophobicContact CG2-CG2 4.34Å; W612-T620 CarbonylContact O-C 3.51Å; W612-T620 WeakPolarHBondContact O-CA 3.4Å; W612-T620 WeakPolarHBondContact O-CB 3.48Å; M613-T620 HydrophobicContact CB-CG2 4.32Å; M613-T620 HydrophobicContact CG-CG2 4.16Å; M613-T620 HydrophobicContact SD-CG2 4.36Å; G618-T620 PolarHBondContact O-N 3.05Å
621	T	98.3	Very high	97.4	Very high	84 Å²	84	47.3 Å²	47.3	52%	0.515	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.6	166.4	-62.2	0	0	0	0	107.7	W612	W612-T621 PolarHBondContact N-O 3.37Å; W612-T621 PolarHBondContact O-N 2.94Å
622	L	98.1	Very high	97.4	Very high	52 Å²	52	50.3 Å²	50.3	27%	0.272	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142	-179.2	-63.9	171	0	0	0	110.5	A567 T609 L610 V611	A567-L622 HydrophobicContact CB-CD1 3.37Å; T609-L622 HydrophobicContact CG2-CD2 3.76Å; L610-L622 WeakPolarHBondContact O-CA 3.43Å; V611-L622 HydrophobicContact CB-CD2 3.64Å; V611-L622 HydrophobicContact CG2-CD2 3.62Å
623	D	97.3	Very high	97.4	Very high	58 Å²	58	50.4 Å²	50.4	31%	0.31	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	-179.3	168.4	-157.4	-17.7	0	0	0	108.4	K406 L610 W612	K406-D623 VanDerWaalsContact CD-OD2 3.24Å; K406-D623 WeakPolarHBondContact CD-OD2 3.35Å; K406-D623 VanDerWaalsContact CE-OD2 3.32Å; K406-D623 WeakPolarHBondContact CE-OD2 3.47Å; K406-D623 IonicContact NZ-OD1 3.64Å; K406-D623 PolarHBondContact NZ-OD1 3.06Å; K406-D623 IonicContact NZ-OD2 3.48Å; K406-D623 PolarHBondContact NZ-OD2 2.75Å; L610-D623 PolarHBondContact N-O 3.04Å; L610-D623 PolarHBondContact O-N 2.64Å; W612-D623 HydrophobicContact CH2-CB 4.13Å; W612-D623 HydrophobicContact CZ3-CB 3.62Å
624	Y	97.4	Very high	97.3	Very high	41 Å²	41	56.9 Å²	56.9	16%	0.161	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.2	-179.2	-54	-79.8	0	0	0	112.1	K406 W605 K607 H608 T609	K406-Y624 PolarHBondContact NZ-O 2.74Å; K406-Y624 VanDerWaalsContact NZ-O 3.1Å; W605-Y624 HydrophobicContact CE3-CE1 4.33Å; W605-Y624 HydrophobicContact CH2-CE1 4.46Å; W605-Y624 WeakPolarHBondContact CH2-OH 3.4Å; W605-Y624 AromaticContact CZ3-CE1 3.57Å; W605-Y624 HydrophobicContact CZ3-CE1 3.57Å; W605-Y624 AromaticContact CZ3-CZ 3.57Å; W605-Y624 WeakPolarHBondContact CZ3-OH 3.39Å; K607-Y624 HydrophobicContact CD-CD1 4.02Å; K607-Y624 HydrophobicContact CD-CD2 4.36Å; K607-Y624 HydrophobicContact CD-CG 3.75Å; K607-Y624 HydrophobicContact CG-CD1 3.89Å; K607-Y624 HydrophobicContact CG-CG 4.07Å; H608-Y624 VanDerWaalsContact O-CA 3.24Å; H608-Y624 WeakPolarHBondContact O-CA 3.33Å; H608-Y624 WeakPolarHBondContact O-CD1 3.4Å; T609-Y624 HydrophobicContact CG2-CE1 4.32Å
625	R	97	Very high	97.3	Very high	16 Å²	16	58.4 Å²	58.4	6%	0.06	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.4	167	65.5	173.9	-69.4	-93.4	4.2	110.8	D117 D412 K607 H608 L610	D117-R625 IonicContact OD1-NH1 2.72Å; D117-R625 IonicContact OD2-CZ 3.71Å; D117-R625 IonicContact OD2-NH1 3.87Å; D117-R625 PolarHBondContact OD2-NH1 3.33Å; D117-R625 IonicContact OD2-NH2 3.62Å; D412-R625 IonicContact OD1-CZ 2.8Å; D412-R625 IonicContact OD1-NE 3.31Å; D412-R625 PolarHBondContact OD1-NE 3.39Å; D412-R625 IonicContact OD1-NH2 2.88Å; D412-R625 IonicContact OD2-CZ 3.17Å; D412-R625 IonicContact OD2-NE 2.74Å; D412-R625 PolarHBondContact OD2-NE 2.9Å; D412-R625 IonicContact OD2-NH2 3.27Å; D412-R625 PolarHBondContact OD2-NH2 3.26Å; K607-R625 CarbonylContact C-O 3.53Å; K607-R625 WeakPolarHBondContact CA-O 3.33Å; K607-R625 WeakPolarHBondContact CB-O 3.36Å; H608-R625 HydrophobicContact CB-CG 3.7Å; H608-R625 PolarHBondContact CD2-NH1 2.88Å; H608-R625 PolarHBondContact N-O 3.23Å; H608-R625 PolarHBondContact NE2-NH1 2.88Å; H608-R625 PolarHBondContact O-N 2.65Å; H608-R625 VanDerWaalsContact O-N 3.15Å; L610-R625 HydrophobicContact CD1-CB 4.12Å; L610-R625 HydrophobicContact CD1-CG 4.23Å; L610-R625 HydrophobicContact CD2-CG 4.22Å; L610-R625 HydrophobicContact CG-CG 4.2Å
626	A	96.8	Very high	97.4	Very high	59 Å²	59	59.5 Å²	59.5	49%	0.488	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	150.1	177.6	0	0	0	0	0	111.3	F601	F601-A626 HydrophobicContact CE2-CB 4.25Å
627	V	98.4	Very high	97.6	Very high	14 Å²	14	56.9 Å²	56.9	9%	0.085	32%	0.317	C	S	.	.			trans	-71.6	141.3	166	-179	0	0	0	0	108.9	L115 R606 D629	L115-V627 HydrophobicContact CD1-CG2 3.87Å; R606-V627 HydrophobicContact CG-CG2 4.3Å; V627-D629 PolarHBondContact O-N 3.06Å
628	I	98.3	Very high	97.7	Very high	49 Å²	49	57.1 Å²	57.1	25%	0.251	32%	0.316	S	S	.	.			trans	-87.4	98.5	174.3	-56.3	177.6	0	0	0	108.7	D117 Q118 D119	D117-I628 HydrophobicContact CB-CB 4.15Å; D117-I628 PolarHBondContact OD1-N 3.38Å; Q118-I628 PolarHBondContact N-O 2.92Å; D119-I628 HydrophobicContact CB-CG2 4.32Å
629	D	98.5	Very high	97.8	Very high	46 Å²	46	59.6 Å²	59.6	25%	0.246	33%	0.331	C	S	.	.			trans	-79.1	-22.5	176.8	-72.1	-39.4	0	0	0	113.3	R606 V627 T639	R606-D629 IonicContact CZ-OD1 2.77Å; R606-D629 IonicContact CZ-OD2 2.67Å; R606-D629 VanDerWaalsContact NH1-CG 3.27Å; R606-D629 IonicContact NH1-OD1 3.63Å; R606-D629 PolarHBondContact NH1-OD1 2.73Å; R606-D629 IonicContact NH1-OD2 3.78Å; R606-D629 PolarHBondContact NH1-OD2 2.77Å; R606-D629 IonicContact NH2-OD1 3.09Å; R606-D629 IonicContact NH2-OD2 3.61Å; R606-D629 PolarHBondContact NH2-OD2 3.43Å; V627-D629 PolarHBondContact O-N 3.06Å; D629-T639 VanDerWaalsContact O-CB 3.3Å; D629-T639 WeakPolarHBondContact O-CB 3.2Å; D629-T639 PolarHBondContact O-OG1 2.81Å
630	A	98.1	Very high	97.8	Very high	66 Å²	66	53.7 Å²	53.7	55%	0.545	31%	0.306	S	S	.	.			trans	-69.8	133.2	-178.4	0	0	0	0	0	110.8	D119	D119-A630 WeakPolarHBondContact CB-O 3.35Å; D119-A630 PolarHBondContact N-O 3.38Å
631	T	98.6	Very high	97.8	Very high	22 Å²	22	56.7 Å²	56.7	14%	0.135	33%	0.326	C	S	.	.			trans	-84.1	164.8	173.1	74.8	0	0	0	0	110.2	F105 Q118 N633 V637	F105-T631 HydrophobicContact CE2-CG2 4.38Å; F105-T631 HydrophobicContact CZ-CG2 3.76Å; Q118-T631 HydrophobicContact CB-CG2 4.33Å; T631-N633 PolarHBondContact O-N 3.42Å; T631-N633 PolarHBondContact OG1-O 2.75Å; T631-V637 HydrophobicContact CG2-CG1 4.25Å; T631-V637 WeakPolarHBondContact CG2-O 3.39Å; T631-V637 PolarHBondContact OG1-O 3.46Å
632	L	98.3	Very high	97.8	Very high	62 Å²	62	53 Å²	53	33%	0.325	30%	0.304	S	S	.	.	S	Bend	trans	-61.2	-32.7	177.8	-66.2	178.7	0	0	0	113.8	D119 H122 Y123	D119-L632 HydrophobicContact CB-CD2 3.88Å; D119-L632 HydrophobicContact CB-CG 4.24Å; H122-L632 PolarHBondContact ND1-N 2.8Å; Y123-L632 HydrophobicContact CD2-CD1 4.11Å; Y123-L632 HydrophobicContact CG-CD1 4.44Å
633	N	97.9	Very high	97.7	Very high	56 Å²	56	54.7 Å²	54.7	30%	0.299	31%	0.309	S	S	.	.			trans	-151.3	108.4	179.1	-175.5	-1	0	0	0	110.1	T631 S635 E636 V637	T631-N633 PolarHBondContact O-N 3.42Å; T631-N633 PolarHBondContact OG1-O 2.75Å; N633-S635 PolarHBondContact ND2-OG 3.02Å; N633-S635 VanDerWaalsContact ND2-OG 3.15Å; N633-S635 PolarHBondContact O-N 2.89Å; N633-S635 PolarHBondContact OD1-N 3.48Å; N633-S635 PolarHBondContact OD1-OG 2.92Å; N633-E636 HydrophobicContact CB-CB 4.27Å; N633-E636 HydrophobicContact CB-CG 4.23Å; N633-E636 PolarHBondContact ND2-OE1 3.12Å; N633-E636 PolarHBondContact O-N 3.22Å; N633-V637 PolarHBondContact O-N 2.93Å
634	K	96.6	Very high	97.7	Very high	147 Å²	147	56.2 Å²	56.2	64%	0.639	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.1	178.9	-175.3	172.4	179.7	168.5	0	113.2	E636 D638	K634-E636 VanDerWaalsContact C-N 3.32Å; K634-D638 VanDerWaalsContact CE-CG 3.45Å; K634-D638 VanDerWaalsContact CE-OD1 3.23Å; K634-D638 WeakPolarHBondContact CE-OD1 3.44Å; K634-D638 WeakPolarHBondContact CE-OD2 3.36Å; K634-D638 HydrophobicContact CG-CB 4.47Å; K634-D638 IonicContact NZ-OD1 2.7Å; K634-D638 IonicContact NZ-OD2 2.71Å
635	S	97.1	Very high	97.7	Very high	105 Å²	105	56.1 Å²	56.1	73%	0.734	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-21.1	177.3	76.1	0	0	0	0	113.3	N633	N633-S635 PolarHBondContact ND2-OG 3.02Å; N633-S635 VanDerWaalsContact ND2-OG 3.15Å; N633-S635 PolarHBondContact O-N 2.89Å; N633-S635 PolarHBondContact OD1-N 3.48Å; N633-S635 PolarHBondContact OD1-OG 2.92Å
636	E	97.7	Very high	97.7	Very high	69 Å²	69	59 Å²	59	32%	0.322	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-46.8	175.5	-76.2	168.8	-137.7	0	0	110.9	W101 R102 H122 R126 N633 K634	W101-E636 HydrophobicContact CH2-CB 4.33Å; W101-E636 HydrophobicContact CZ2-CB 4.3Å; R102-E636 WeakPolarHBondContact CD-O 3.44Å; H122-E636 IonicContact CE1-OE2 3.11Å; H122-E636 IonicContact NE2-OE2 3.64Å; H122-E636 PolarHBondContact NE2-OE2 2.93Å; R126-E636 VanDerWaalsContact CD-OE2 3.3Å; R126-E636 WeakPolarHBondContact CD-OE2 3.37Å; R126-E636 IonicContact CZ-OE2 3.55Å; R126-E636 IonicContact NH1-OE1 3.99Å; R126-E636 IonicContact NH1-OE2 3.6Å; R126-E636 PolarHBondContact NH1-OE2 3.4Å; N633-E636 HydrophobicContact CB-CB 4.27Å; N633-E636 HydrophobicContact CB-CG 4.23Å; N633-E636 PolarHBondContact ND2-OE1 3.12Å; N633-E636 PolarHBondContact O-N 3.22Å; K634-E636 VanDerWaalsContact C-N 3.32Å
637	V	97.9	Very high	97.6	Very high	13 Å²	13	57.4 Å²	57.4	8%	0.079	32%	0.324	C	S	.	.			trans	-154.9	130.6	176	67	0	0	0	0	110.1	W101 R102 F105 H122 T631 N633	W101-V637 HydrophobicContact CH2-CB 3.97Å; W101-V637 HydrophobicContact CH2-CG1 3.69Å; W101-V637 HydrophobicContact CZ3-CB 4.37Å; W101-V637 HydrophobicContact CZ3-CG1 3.92Å; R102-V637 HydrophobicContact CB-CG2 4.45Å; R102-V637 HydrophobicContact CG-CB 4.32Å; R102-V637 HydrophobicContact CG-CG2 4.33Å; F105-V637 HydrophobicContact CD1-CG1 4.42Å; F105-V637 HydrophobicContact CD1-CG2 3.52Å; F105-V637 HydrophobicContact CE1-CG1 4.29Å; F105-V637 HydrophobicContact CE1-CG2 3.6Å; F105-V637 HydrophobicContact CG-CG2 4.32Å; F105-V637 HydrophobicContact CZ-CG1 4.42Å; F105-V637 HydrophobicContact CZ-CG2 4.48Å; H122-V637 HydrophobicContact CB-CG1 4.48Å; H122-V637 WeakPolarHBondContact ND1-CG1 3.37Å; T631-V637 HydrophobicContact CG2-CG1 4.25Å; T631-V637 WeakPolarHBondContact CG2-O 3.39Å; T631-V637 PolarHBondContact OG1-O 3.46Å; N633-V637 PolarHBondContact O-N 2.93Å
638	D	97.2	Very high	97.6	Very high	80 Å²	80	59.6 Å²	59.6	43%	0.428	34%	0.336	S	S	.	.			trans	-80.1	163.4	175.9	-154.8	-3.1	0	0	0	111.2	K634	K634-D638 VanDerWaalsContact CE-CG 3.45Å; K634-D638 VanDerWaalsContact CE-OD1 3.23Å; K634-D638 WeakPolarHBondContact CE-OD1 3.44Å; K634-D638 WeakPolarHBondContact CE-OD2 3.36Å; K634-D638 HydrophobicContact CG-CB 4.47Å; K634-D638 IonicContact NZ-OD1 2.7Å; K634-D638 IonicContact NZ-OD2 2.71Å
639	T	98	Very high	97.6	Very high	52 Å²	52	60.1 Å²	60.1	32%	0.319	34%	0.34	S	S	.	.			trans	-59.3	140.7	173.7	-171.5	0	0	0	0	111	Q118 D629 P641	Q118-T639 PolarHBondContact NE2-OG1 2.93Å; Q118-T639 VanDerWaalsContact NE2-OG1 3.14Å; Q118-T639 PolarHBondContact OE1-OG1 3Å; D629-T639 VanDerWaalsContact O-CB 3.3Å; D629-T639 WeakPolarHBondContact O-CB 3.2Å; D629-T639 PolarHBondContact O-OG1 2.81Å; T639-P641 WeakPolarHBondContact O-CD 3.49Å
640	V	98.4	Very high	97.5	Very high	19 Å²	19	60.9 Å²	60.9	12%	0.115	35%	0.345	C	S	.	.			trans	-94.5	107.3	171.8	176.8	0	0	0	0	107.9	F105 Y106 V109 W114 Q118	F105-V640 HydrophobicContact CD1-CG2 4.32Å; F105-V640 HydrophobicContact CE1-CG2 3.75Å; Y106-V640 HydrophobicContact CD2-CG1 3.88Å; Y106-V640 HydrophobicContact CD2-CG2 4.04Å; Y106-V640 HydrophobicContact CE2-CG1 4.1Å; V109-V640 HydrophobicContact CB-CB 4.37Å; V109-V640 HydrophobicContact CG1-CB 3.97Å; V109-V640 HydrophobicContact CG1-CG1 4.25Å; W114-V640 PolarHBondContact NE1-O 2.83Å; Q118-V640 PolarHBondContact NE2-O 3.39Å; Q118-V640 VanDerWaalsContact NE2-O 3.15Å
641	P	97.7	Very high	97.5	Very high	80 Å²	80	60.6 Å²	60.6	52%	0.519	33%	0.334	S	S	.	.			trans	-66.3	153.3	-178.7	27.8	-35	0	0	0	111.2	W114 T639	W114-P641 PolarHBondContact NE1-O 3.31Å; T639-P641 WeakPolarHBondContact O-CD 3.49Å
642	P	98.3	Very high	97.4	Very high	8 Å²	8	63 Å²	63	5%	0.052	35%	0.346	C	S	.	.			trans	-53.7	141.1	171.5	-23.4	32.5	0	0	0	112.7	W114 Y589	W114-P642 HydrophobicContact CB-CB 4.29Å; W114-P642 HydrophobicContact CB-CG 4.05Å; W114-P642 HydrophobicContact CD2-CB 4.12Å; W114-P642 HydrophobicContact CG-CB 3.93Å; W114-P642 HydrophobicContact CG-CG 3.96Å; Y589-P642 HydrophobicContact CD1-CB 4.03Å; Y589-P642 WeakPolarHBondContact CD1-O 3.03Å; Y589-P642 HydrophobicContact CD2-CB 3.6Å; Y589-P642 HydrophobicContact CD2-CG 4.21Å; Y589-P642 HydrophobicContact CE1-CB 4.07Å; Y589-P642 HydrophobicContact CE1-CG 4.17Å; Y589-P642 HydrophobicContact CE2-CB 3.64Å; Y589-P642 HydrophobicContact CE2-CG 3.71Å; Y589-P642 HydrophobicContact CG-CB 3.79Å
643	K	96.6	Very high	97.4	Very high	86 Å²	86	63.1 Å²	63.1	37%	0.374	35%	0.347	S	S	.	.			trans	-146.3	176.3	170.4	60.9	174.9	178.1	-173.2	0	110.7	Y106 W114 R583 R645	Y106-K643 VanDerWaalsContact OH-CE 3.26Å; Y106-K643 WeakPolarHBondContact OH-CE 3.4Å; Y106-K643 PolarHBondContact OH-NZ 3.42Å; W114-K643 HydrophobicContact CH2-CB 4.43Å; W114-K643 HydrophobicContact CH2-CG 3.53Å; W114-K643 WeakPolarHBondContact CH2-O 3.43Å; W114-K643 HydrophobicContact CZ2-CB 4.36Å; W114-K643 HydrophobicContact CZ2-CD 4.48Å; W114-K643 HydrophobicContact CZ2-CG 3.42Å; W114-K643 VanDerWaalsContact CZ2-CG 3.42Å; W114-K643 WeakPolarHBondContact CZ3-O 3.46Å; R583-K643 PolarHBondContact NH1-O 3.42Å; R583-K643 PolarHBondContact NH2-O 2.98Å; K643-R645 PolarHBondContact O-N 3.38Å
644	V	97.3	Very high	97.3	Very high	90 Å²	90	63.6 Å²	63.6	55%	0.545	35%	0.351	S	S	.	.			trans	-58.9	130.8	170.8	178.8	0	0	0	0	109.6
645	R	97.7	Very high	97.4	Very high	40 Å²	40	57.2 Å²	57.2	15%	0.151	33%	0.329	C	S	.	.			trans	-100.1	106.9	179.9	-163.2	171.2	167.6	-95.8	11	110.8	K110 G111 D113 W114 S321 D323 N433 K643 Y647	K110-R645 HydrophobicContact CG-CG 4.35Å; K110-R645 VanDerWaalsContact O-CD 3.27Å; K110-R645 WeakPolarHBondContact O-CD 3.32Å; K110-R645 PolarHBondContact O-NE 3.11Å; G111-R645 PolarHBondContact O-NH2 3.14Å; D113-R645 WeakPolarHBondContact OD1-CD 3.16Å; W114-R645 HydrophobicContact CH2-CB 4.37Å; W114-R645 HydrophobicContact CZ3-CB 3.92Å; W114-R645 HydrophobicContact CZ3-CG 4.28Å; S321-R645 VanDerWaalsContact CB-NH2 3.29Å; S321-R645 PolarHBondContact OG-NH1 3.16Å; S321-R645 PolarHBondContact OG-NH2 3.37Å; S321-R645 VanDerWaalsContact OG-NH2 3.07Å; D323-R645 IonicContact OD1-CZ 3.38Å; D323-R645 IonicContact OD1-NH1 3.82Å; D323-R645 PolarHBondContact OD1-NH1 3.39Å; D323-R645 IonicContact OD1-NH2 2.69Å; D323-R645 PolarHBondContact OD1-NH2 3.46Å; D323-R645 IonicContact OD2-CZ 3.34Å; D323-R645 IonicContact OD2-NH1 3.37Å; D323-R645 PolarHBondContact OD2-NH1 2.92Å; D323-R645 IonicContact OD2-NH2 3.85Å; N433-R645 PolarHBondContact ND2-NH2 3.09Å; K643-R645 PolarHBondContact O-N 3.38Å; R645-Y647 HydrophobicContact CG-CE2 3.94Å
646	S	95.9	Very high	97.4	Very high	77 Å²	77	53.2 Å²	53.2	54%	0.538	30%	0.295	S	S	.	.			trans	-134.4	159.2	171.3	56.7	0	0	0	0	110.7	K110	K110-S646 VanDerWaalsContact CE-O 3.28Å; K110-S646 WeakPolarHBondContact CE-O 3.35Å; K110-S646 PolarHBondContact NZ-O 2.94Å
647	Y	96.3	Very high	97.4	Very high	24 Å²	24	51.7 Å²	51.7	9%	0.094	29%	0.292	C	S	.	.			trans	-129.4	0	-178.6	-74.3	-87	0	0	0	110.2	K110 A313 N315 A316 A320 S321 V324 R645	K110-Y647 HydrophobicContact CD-CE1 4.42Å; A313-Y647 CarbonylContact C-O 3.57Å; A313-Y647 WeakPolarHBondContact CA-O 3.3Å; A313-Y647 VanDerWaalsContact CB-O 3.32Å; A313-Y647 WeakPolarHBondContact CB-O 3.39Å; N315-Y647 WeakPolarHBondContact CB-OXT 3.22Å; N315-Y647 PolarHBondContact N-OXT 3.14Å; N315-Y647 PolarHBondContact ND2-OXT 3.41Å; N315-Y647 VanDerWaalsContact ND2-OXT 3.16Å; A316-Y647 HydrophobicContact CB-CD1 4.34Å; A316-Y647 PolarHBondContact N-OXT 3.23Å; A320-Y647 HydrophobicContact CB-CG 4.23Å; S321-Y647 VanDerWaalsContact OG-CE2 3.29Å; S321-Y647 WeakPolarHBondContact OG-CE2 3.16Å; V324-Y647 HydrophobicContact CG2-CD2 4.26Å; R645-Y647 HydrophobicContact CG-CE2 3.94Å

Retrieved 647 of 647 residues in 383.2 ms (Link to these results)

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