A0A087Y896_POEFO Loading...

procollagen-lysine 5-dioxygenase

AlphaFold DB , UniProt , Accession A0A087Y896, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 756 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	36.5	Very low	37.2	Very low	244 Å²	244	151 Å²	151	100%	1.202	76%	0.762	S	S	*	*				0	117.4	0	-77.9	177.5	164.7	0	0	108
2	D	33.5	Very low	36.8	Very low	126 Å²	126	153 Å²	153	67%	0.674	76%	0.763	S	S	*	*			cis	-164.8	111.7	-15.4	-157	-1.1	0	0	0	106.1	F4	D2-F4 PolarHBondContact O-N 3.16Å; D2-F4 VanDerWaalsContact O-N 3.16Å
3	P	38.1	Very low	36.9	Very low	120 Å²	120	157.2 Å²	157.2	78%	0.779	77%	0.767	S	S	*	*			trans	-85.7	51	177.3	35.2	-32.6	0	0	0	111.1
4	F	38.9	Very low	36.9	Very low	158 Å²	158	157.4 Å²	157.4	69%	0.693	77%	0.768	S	S	*	*			trans	-124	16.5	-168.5	-112	-84	0	0	0	116.5	D2	D2-F4 PolarHBondContact O-N 3.16Å; D2-F4 VanDerWaalsContact O-N 3.16Å
5	R	38.3	Very low	36.9	Very low	246 Å²	246	158.8 Å²	158.8	93%	0.928	77%	0.769	S	S	*	*	S	Bend	trans	-124.7	4.5	175.6	-91.6	-174	174.9	-175.2	-0.9	117.4
6	F	38.5	Very low	36.9	Very low	179 Å²	179	161.8 Å²	161.8	79%	0.785	78%	0.777	S	S	*	*	S	Bend	trans	-108.7	-9.3	176.8	-131	-95.1	0	0	0	115.1
7	C	38.2	Very low	37	Very low	110 Å²	110	156.1 Å²	156.1	74%	0.743	77%	0.771	S	S	*	*	S	Bend	trans	-96.8	1.6	-176.8	-79.4	0	0	0	0	116
8	L	36.1	Very low	37	Very low	127 Å²	127	153.5 Å²	153.5	67%	0.665	77%	0.771	S	S	*	*	S	Bend	trans	-108.4	-3.1	-177.5	-112.2	138.1	0	0	0	115.3
9	M	35.5	Very low	37.3	Very low	163 Å²	163	150.8 Å²	150.8	80%	0.803	77%	0.768	S	S	*	*	S	Bend	trans	-103.1	6.6	171	-77.1	-71.2	-84.2	0	0	113.6
10	L	39.6	Very low	37.5	Very low	116 Å²	116	150 Å²	150	61%	0.607	77%	0.77	S	S	*	*	S	Bend	trans	-111.7	-9.4	176.6	-102.7	132.1	0	0	0	114
11	S	35.7	Very low	37.2	Very low	72 Å²	72	152.7 Å²	152.7	50%	0.503	78%	0.777	S	S	.	*	S	Bend	trans	-94.4	-10.7	177.9	62.4	0	0	0	0	114.6
12	F	33.2	Very low	37.1	Very low	175 Å²	175	145.4 Å²	145.4	77%	0.768	75%	0.75	S	S	*	*	S	Bend	trans	-94.1	-11.2	177	-107.9	-86.2	0	0	0	115
13	Y	37	Very low	37.4	Very low	208 Å²	208	144.8 Å²	144.8	82%	0.816	76%	0.755	S	S	*	*	S	Bend	trans	-96.7	-7.9	173.4	-90.5	-82	0	0	0	114.3
14	M	37	Very low	37.5	Very low	159 Å²	159	145.6 Å²	145.6	78%	0.783	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	24.6	178.6	-88.8	-162.1	-172.7	0	0	114.6
15	K	37.9	Very low	37.4	Very low	179 Å²	179	142.2 Å²	142.2	78%	0.778	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	17.6	173.6	-101.3	-174.9	-179.9	-179.2	0	116.1
16	F	36.6	Very low	37.7	Very low	206 Å²	206	136.6 Å²	136.6	90%	0.904	75%	0.75	S	S	*	*	S	Bend	trans	-127.8	22.6	167.4	-101	-80.5	0	0	0	112.9
17	G	38.9	Very low	38.2	Very low	66 Å²	66	136.9 Å²	136.9	68%	0.68	75%	0.753	S	S	*	*	S	Bend	trans	-114.9	20.6	-177.7	0	0	0	0	0	114.6
18	S	36.1	Very low	39.3	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	75%	0.753	S	S	*	*	S	Bend	trans	-135.8	57.9	-177.4	56.1	0	0	0	0	111.6
19	S	42.3	Very low	41	Very low	103 Å²	103	134.3 Å²	134.3	72%	0.72	75%	0.751	S	S	*	*	S	Bend	trans	-167.3	128.2	155.1	53.9	0	0	0	0	107.6
20	V	41.2	Very low	43.3	Very low	134 Å²	134	130.4 Å²	130.4	81%	0.812	74%	0.744	S	S	*	*			trans	86.4	58.4	-176.7	-155.7	0	0	0	0	115.3
21	F	33.2	Very low	45.7	Very low	206 Å²	206	130.1 Å²	130.1	90%	0.904	75%	0.75	S	S	*	*			trans	-106	84.6	138.6	-87.2	-81	0	0	0	107.5	S23	F21-S23 PolarHBondContact O-N 2.93Å
22	S	33.1	Very low	48.3	Very low	92 Å²	92	127.9 Å²	127.9	64%	0.643	73%	0.731	S	S	*	*			trans	-69	104.7	157	174.4	0	0	0	0	106.5	N24	S22-N24 PolarHBondContact O-N 3.22Å
23	S	39.6	Very low	51.1	Low	112 Å²	112	122.8 Å²	122.8	78%	0.783	72%	0.716	S	S	*	*			trans	-72.8	70.5	170.7	56.3	0	0	0	0	109.7	F21	F21-S23 PolarHBondContact O-N 2.93Å
24	N	40.6	Very low	53.8	Low	138 Å²	138	116.5 Å²	116.5	74%	0.738	70%	0.697	S	S	*	*			trans	-125	71	164.4	-87.5	-10	0	0	0	107.9	S22	S22-N24 PolarHBondContact O-N 3.22Å
25	A	37.9	Very low	56.5	Low	87 Å²	87	116.9 Å²	116.9	72%	0.719	70%	0.696	S	S	*	*			trans	-62.7	126.9	153.7	0	0	0	0	0	106.3	Q27	A25-Q27 PolarHBondContact O-N 2.92Å
26	P	44.3	Very low	59.2	Low	128 Å²	128	111.3 Å²	111.3	83%	0.831	67%	0.672	S	S	*	*			trans	-59.9	110.6	176.7	21.5	-28.9	0	0	0	108.2	A28	P26-A28 PolarHBondContact O-N 3.3Å
27	Q	49.1	Very low	62.1	Low	184 Å²	184	101.8 Å²	101.8	86%	0.86	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-56	129.2	168.9	-83.3	178.6	-18.8	0	0	107.3	A25	A25-Q27 PolarHBondContact O-N 2.92Å
28	A	61.4	Low	64.9	Low	89 Å²	89	99.6 Å²	99.6	74%	0.736	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-54.2	132.1	171.1	0	0	0	0	0	108	P26 A30	P26-A28 PolarHBondContact O-N 3.3Å; A28-A30 PolarHBondContact O-N 3.42Å
29	P	71.3	Confident	67.8	Low	94 Å²	94	94.5 Å²	94.5	61%	0.61	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-55.8	140.6	179.7	18.1	-26.8	0	0	0	109.6
30	A	83.3	Confident	70.5	Confident	81 Å²	81	89.6 Å²	89.6	67%	0.669	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-53.8	138.7	178.8	0	0	0	0	0	110	A28 I32 Q128	A28-A30 PolarHBondContact O-N 3.42Å; A30-I32 PolarHBondContact O-N 2.7Å; A30-Q128 PolarHBondContact O-NE2 3.45Å
31	P	89.1	Confident	73.2	Confident	111 Å²	111	83.2 Å²	83.2	72%	0.721	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-55	135	176.8	-24.5	33.6	0	0	0	111.1
32	I	90.8	Very high	76.3	Confident	24 Å²	24	74 Å²	74	12%	0.123	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-71.4	127.8	174.5	-64.7	164.5	0	0	0	108.3	A30 K36 V105 L124 Q128 Y170	A30-I32 PolarHBondContact O-N 2.7Å; I32-K36 HydrophobicContact CG2-CB 3.78Å; I32-V105 HydrophobicContact CD1-CG2 3.89Å; I32-V105 HydrophobicContact CG2-CG2 4.33Å; I32-L124 HydrophobicContact CB-CD1 4.28Å; I32-L124 HydrophobicContact CB-CD2 4.24Å; I32-L124 HydrophobicContact CD1-CD2 4.41Å; I32-L124 HydrophobicContact CG2-CD1 4.08Å; I32-L124 HydrophobicContact CG2-CD2 3.95Å; I32-Q128 HydrophobicContact CD1-CG 3.55Å; I32-Q128 HydrophobicContact CG1-CG 4.09Å; I32-Y170 HydrophobicContact CD1-CE1 4.3Å
33	P	93.3	Very high	79.2	Confident	69 Å²	69	69.6 Å²	69.6	45%	0.448	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-61.7	146.2	175.2	-21.8	32.8	0	0	0	112.1	E35 K36	P33-E35 WeakPolarHBondContact CB-OE2 3.19Å; P33-E35 PolarHBondContact O-N 2.91Å; P33-K36 HydrophobicContact CB-CG 4.38Å; P33-K36 HydrophobicContact CG-CG 4.47Å; P33-K36 WeakPolarHBondContact O-CB 2.95Å; P33-K36 PolarHBondContact O-N 3.4Å
34	N	93	Very high	81.7	Confident	76 Å²	76	64.9 Å²	64.9	41%	0.406	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-62.3	-28.7	-179	-70.2	-15.4	0	0	0	112.6	K36 L37 P120 E121	N34-K36 PolarHBondContact O-N 2.83Å; N34-K36 VanDerWaalsContact O-N 3.16Å; N34-L37 PolarHBondContact O-N 3.39Å; N34-L37 VanDerWaalsContact O-N 3.13Å; N34-P120 HydrophobicContact CB-CB 4.28Å; N34-E121 WeakPolarHBondContact OD1-CA 3.35Å; N34-E121 PolarHBondContact OD1-N 3.02Å
35	E	93.3	Very high	84	Confident	166 Å²	166	63.8 Å²	63.8	78%	0.776	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-67.6	-14	177.8	-47.4	91.1	-176.4	0	0	112.9	P33 L37	P33-E35 WeakPolarHBondContact CB-OE2 3.19Å; P33-E35 PolarHBondContact O-N 2.91Å; E35-L37 VanDerWaalsContact C-N 3.31Å
36	K	94.9	Very high	86.6	Confident	62 Å²	62	65.7 Å²	65.7	27%	0.27	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-89.9	8.5	176.5	-62.9	-68.2	-179.2	164.7	0	113.1	I32 P33 N34 D103 V105	I32-K36 HydrophobicContact CG2-CB 3.78Å; P33-K36 HydrophobicContact CB-CG 4.38Å; P33-K36 HydrophobicContact CG-CG 4.47Å; P33-K36 WeakPolarHBondContact O-CB 2.95Å; P33-K36 PolarHBondContact O-N 3.4Å; N34-K36 PolarHBondContact O-N 2.83Å; N34-K36 VanDerWaalsContact O-N 3.16Å; K36-D103 WeakPolarHBondContact CE-OD2 3.39Å; K36-D103 IonicContact NZ-OD1 3.23Å; K36-D103 PolarHBondContact NZ-OD1 2.7Å; K36-D103 IonicContact NZ-OD2 2.76Å; K36-D103 PolarHBondContact NZ-OD2 2.87Å; K36-V105 PolarHBondContact O-N 3.22Å
37	L	97.6	Very high	88.8	Confident	7 Å²	7	60.9 Å²	60.9	4%	0.037	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.7	171.1	-178.4	62.9	0	0	0	110.8	N34 E35 Y62 V105 L107 P120 I123 L124	N34-L37 PolarHBondContact O-N 3.39Å; N34-L37 VanDerWaalsContact O-N 3.13Å; E35-L37 VanDerWaalsContact C-N 3.31Å; L37-Y62 HydrophobicContact CD2-CD1 4.12Å; L37-Y62 HydrophobicContact CD2-CE1 3.72Å; L37-V105 WeakPolarHBondContact CA-O 3.42Å; L37-V105 HydrophobicContact CD1-CB 4.16Å; L37-V105 HydrophobicContact CD1-CG1 3.89Å; L37-L107 HydrophobicContact CD1-CB 4.04Å; L37-P120 HydrophobicContact CD2-CB 4Å; L37-I123 HydrophobicContact CD2-CG2 3.8Å; L37-L124 HydrophobicContact CB-CD1 4.17Å; L37-L124 HydrophobicContact CB-CD2 4.23Å; L37-L124 HydrophobicContact CB-CG 4.43Å; L37-L124 HydrophobicContact CD1-CD2 4.22Å; L37-L124 HydrophobicContact CD2-CG 4.3Å
38	V	97.1	Very high	90.9	Very high	20 Å²	20	52.6 Å²	52.6	12%	0.121	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.8	166.8	66	0	0	0	0	110.1	L40 L98 L104 V105 V106 L107	V38-L40 HydrophobicContact CG2-CD2 4.34Å; V38-L98 HydrophobicContact CG1-CD1 4.28Å; V38-L104 HydrophobicContact CG1-CD1 4.22Å; V38-L104 HydrophobicContact CG1-CD2 4.15Å; V38-L104 HydrophobicContact CG1-CG 4.3Å; V38-V105 PolarHBondContact N-O 3.13Å; V38-V106 HydrophobicContact CG1-CB 4.43Å; V38-V106 HydrophobicContact CG1-CG2 3.83Å; V38-L107 PolarHBondContact O-N 3.16Å
39	V	98.4	Very high	92.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.8	172.5	-174.8	0	0	0	0	108.5	F53 Y62 T63 V64 K65 L107 V109 F116	V39-F53 HydrophobicContact CG1-CZ 4.46Å; V39-Y62 HydrophobicContact CG2-CD1 3.49Å; V39-Y62 VanDerWaalsContact CG2-CD1 3.49Å; V39-Y62 HydrophobicContact CG2-CE1 4.21Å; V39-Y62 HydrophobicContact CG2-CG 4.15Å; V39-T63 PolarHBondContact N-O 3.43Å; V39-V64 HydrophobicContact CB-CG2 4.14Å; V39-V64 HydrophobicContact CG1-CG2 4.34Å; V39-V64 CarbonylContact O-C 3.23Å; V39-V64 WeakPolarHBondContact O-CA 3.35Å; V39-K65 PolarHBondContact O-N 2.78Å; V39-L107 CarbonylContact C-O 3.51Å; V39-L107 VanDerWaalsContact CA-O 3.29Å; V39-L107 WeakPolarHBondContact CA-O 3.36Å; V39-L107 HydrophobicContact CG1-CD2 4.39Å; V39-L107 HydrophobicContact CG2-CB 4.39Å; V39-L107 HydrophobicContact CG2-CD2 4.02Å; V39-V109 HydrophobicContact CG1-CG2 3.81Å; V39-F116 HydrophobicContact CG1-CZ 4.12Å; V39-F116 HydrophobicContact CG2-CZ 4.46Å
40	L	98.4	Very high	93.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.2	171.9	-61.6	174.9	0	0	0	108.8	V38 K65 L67 L91 M95 L98 V106 L107 F108 V109	V38-L40 HydrophobicContact CG2-CD2 4.34Å; L40-K65 WeakPolarHBondContact CA-O 3.5Å; L40-K65 HydrophobicContact CD2-CB 3.69Å; L40-K65 HydrophobicContact CD2-CD 3.8Å; L40-K65 HydrophobicContact CD2-CG 3.94Å; L40-L67 HydrophobicContact CB-CD1 4.48Å; L40-L91 HydrophobicContact CB-CD1 4.3Å; L40-L91 HydrophobicContact CD1-CD1 3.51Å; L40-M95 HydrophobicContact CD1-SD 3.98Å; L40-L98 HydrophobicContact CD1-CD1 4.12Å; L40-L98 HydrophobicContact CD2-CD1 4.49Å; L40-V106 HydrophobicContact CD1-CG1 3.57Å; L40-V106 HydrophobicContact CG-CG1 4.09Å; L40-L107 PolarHBondContact N-O 3.01Å; L40-F108 HydrophobicContact CB-CD2 4.06Å; L40-F108 VanDerWaalsContact O-CA 3.3Å; L40-F108 WeakPolarHBondContact O-CA 3.25Å; L40-V109 PolarHBondContact O-N 3.4Å; L40-V109 VanDerWaalsContact O-N 3.08Å
41	T	98.3	Very high	94.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.9	174.6	-177.5	0	0	0	0	110.1	F53 V64 K65 V66 L67 V109 S111	T41-F53 HydrophobicContact CG2-CE1 3.85Å; T41-F53 HydrophobicContact CG2-CZ 4.18Å; T41-V64 HydrophobicContact CG2-CG1 3.74Å; T41-K65 PolarHBondContact N-O 2.83Å; T41-V66 HydrophobicContact CG2-CG1 4.49Å; T41-V66 HydrophobicContact CG2-CG2 4.12Å; T41-L67 WeakPolarHBondContact O-CB 3.48Å; T41-L67 PolarHBondContact O-N 3.21Å; T41-V109 WeakPolarHBondContact CA-O 3.47Å; T41-V109 WeakPolarHBondContact CB-O 3.32Å; T41-V109 PolarHBondContact OG1-O 3.26Å; T41-S111 WeakPolarHBondContact OG1-CB 3.26Å
42	V	96.8	Very high	94.5	Very high	12 Å²	12	40.4 Å²	40.4	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.8	171.4	178.1	0	0	0	0	109.2	L67 W73 K87 L90 F108 S111	V42-L67 WeakPolarHBondContact CA-O 3.5Å; V42-L67 HydrophobicContact CG2-CB 4.14Å; V42-W73 HydrophobicContact CG1-CZ3 4.35Å; V42-K87 HydrophobicContact CB-CD 4.39Å; V42-K87 HydrophobicContact CB-CG 4Å; V42-K87 HydrophobicContact CG1-CG 4.06Å; V42-K87 HydrophobicContact CG2-CB 3.94Å; V42-K87 HydrophobicContact CG2-CG 3.99Å; V42-L90 HydrophobicContact CG1-CD1 3.97Å; V42-L90 HydrophobicContact CG2-CD1 4.33Å; V42-F108 HydrophobicContact CG2-CE2 4.03Å; V42-F108 HydrophobicContact CG2-CZ 4.13Å; V42-S111 PolarHBondContact O-OG 3.35Å
43	A	94.8	Very high	94.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.195	C	C	.	.			trans	-150.4	128	169.1	0	0	0	0	0	108.1	F50 V66 L67 G68 M69 Y112	A43-F50 HydrophobicContact CB-CD2 3.51Å; A43-F50 HydrophobicContact CB-CE2 3.71Å; A43-F50 HydrophobicContact CB-CG 4.23Å; A43-V66 HydrophobicContact CB-CG1 3.81Å; A43-L67 PolarHBondContact N-O 3.32Å; A43-L67 VanDerWaalsContact N-O 3.14Å; A43-G68 CarbonylContact O-C 3.58Å; A43-G68 VanDerWaalsContact O-C 3.27Å; A43-M69 HydrophobicContact CB-CE 3.98Å; A43-M69 WeakPolarHBondContact O-CA 3.32Å; A43-M69 PolarHBondContact O-N 3.19Å; A43-M69 VanDerWaalsContact O-N 3.11Å; A43-Y112 HydrophobicContact CB-CE1 3.85Å
44	T	91.8	Very high	95	Very high	13 Å²	13	38.5 Å²	38.5	8%	0.08	19%	0.186	C	C	.	.	S	Bend	trans	-92.1	-20.5	177.1	50	0	0	0	0	112.6	G68 G70 E71 W73 Y112	T44-G68 WeakPolarHBondContact CA-O 3.27Å; T44-G70 PolarHBondContact O-N 3.34Å; T44-E71 VanDerWaalsContact CB-O 3.3Å; T44-E71 WeakPolarHBondContact CB-O 3.4Å; T44-E71 WeakPolarHBondContact CG2-O 3.4Å; T44-W73 HydrophobicContact CG2-CB 4.16Å; T44-W73 HydrophobicContact CG2-CE3 4.02Å; T44-Y112 PolarHBondContact N-OH 2.76Å; T44-Y112 VanDerWaalsContact N-OH 3.1Å; T44-Y112 PolarHBondContact OG1-OH 3.41Å
45	K	89.9	Confident	95.1	Very high	115 Å²	115	39.7 Å²	39.7	50%	0.5	19%	0.189	S	C	.	.	S	Bend	trans	-144.8	156.6	179.2	-61.8	-179	-177	174.5	0	110.3	T47 Y112	K45-T47 HydrophobicContact CB-CG2 4.32Å; K45-T47 PolarHBondContact O-N 3.36Å; K45-T47 VanDerWaalsContact O-N 3.07Å; K45-Y112 PolarHBondContact N-OH 3.04Å; K45-Y112 VanDerWaalsContact N-OH 3.1Å; K45-Y112 PolarHBondContact O-OH 3.42Å
46	E	91.6	Very high	95.3	Very high	126 Å²	126	32.1 Å²	32.1	59%	0.589	15%	0.154	S	C	*	.			trans	-81	80.8	170.9	-63.5	-174.2	174.3	0	0	110.8	F50 M69	E46-F50 HydrophobicContact CB-CD1 4.28Å; E46-F50 HydrophobicContact CG-CD1 4.19Å; E46-F50 HydrophobicContact CG-CE1 4.12Å; E46-M69 HydrophobicContact CG-CE 3.81Å; E46-M69 HydrophobicContact CG-SD 4.13Å
47	T	91.4	Very high	95.4	Very high	27 Å²	27	29.1 Å²	29.1	17%	0.166	14%	0.141	C	C	.	.			trans	-80.4	165.3	175.7	66.8	0	0	0	0	111.6	K45 G49 F50 Q51 Y112	K45-T47 HydrophobicContact CB-CG2 4.32Å; K45-T47 PolarHBondContact O-N 3.36Å; K45-T47 VanDerWaalsContact O-N 3.07Å; T47-G49 PolarHBondContact O-N 3.17Å; T47-F50 WeakPolarHBondContact O-CB 3.41Å; T47-F50 PolarHBondContact O-N 3.41Å; T47-F50 VanDerWaalsContact O-N 3.11Å; T47-F50 PolarHBondContact OG1-N 2.98Å; T47-F50 VanDerWaalsContact OG1-N 3.13Å; T47-Q51 WeakPolarHBondContact O-CG 3.48Å; T47-Q51 PolarHBondContact O-N 3.46Å; T47-Y112 HydrophobicContact CG2-CD1 4.34Å; T47-Y112 HydrophobicContact CG2-CD2 4.42Å; T47-Y112 HydrophobicContact CG2-CE1 3.88Å; T47-Y112 HydrophobicContact CG2-CE2 4Å; T47-Y112 WeakPolarHBondContact OG1-CD1 3.45Å; T47-Y112 WeakPolarHBondContact OG1-CE1 3.25Å
48	D	92.7	Very high	95.3	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-34.7	176	-62	-16.4	0	0	0	111.6	Q51 R52 K410 F522	D48-Q51 PolarHBondContact O-N 3.13Å; D48-R52 PolarHBondContact O-N 3.16Å; D48-K410 WeakPolarHBondContact OD1-CD 3.22Å; D48-K410 WeakPolarHBondContact OD1-CE 3.1Å; D48-K410 IonicContact OD1-NZ 3.32Å; D48-K410 PolarHBondContact OD1-NZ 2.91Å; D48-K410 IonicContact OD2-NZ 3.99Å; D48-F522 HydrophobicContact CB-CB 4.09Å; D48-F522 HydrophobicContact CB-CD1 3.91Å; D48-F522 HydrophobicContact CB-CD2 3.48Å; D48-F522 VanDerWaalsContact CB-CD2 3.48Å; D48-F522 HydrophobicContact CB-CE1 4.19Å; D48-F522 HydrophobicContact CB-CE2 3.79Å; D48-F522 HydrophobicContact CB-CG 3.55Å; D48-F522 HydrophobicContact CB-CZ 4.14Å; D48-F522 PolarHBondContact OD2-N 2.98Å
49	G	94	Very high	95.2	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-45.4	172.6	0	0	0	0	0	112.9	T47 R52 F53 Y112	T47-G49 PolarHBondContact O-N 3.17Å; G49-R52 PolarHBondContact O-N 3.39Å; G49-F53 PolarHBondContact O-N 3Å; G49-Y112 WeakPolarHBondContact CA-O 3.3Å
50	F	95.4	Very high	95.1	Very high	13 Å²	13	36 Å²	36	6%	0.057	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-42.6	175.2	174.7	-100.4	0	0	0	112.1	A43 E46 T47 F53 M54 V66 M69 Y112	A43-F50 HydrophobicContact CB-CD2 3.51Å; A43-F50 HydrophobicContact CB-CE2 3.71Å; A43-F50 HydrophobicContact CB-CG 4.23Å; E46-F50 HydrophobicContact CB-CD1 4.28Å; E46-F50 HydrophobicContact CG-CD1 4.19Å; E46-F50 HydrophobicContact CG-CE1 4.12Å; T47-F50 WeakPolarHBondContact O-CB 3.41Å; T47-F50 PolarHBondContact O-N 3.41Å; T47-F50 VanDerWaalsContact O-N 3.11Å; T47-F50 PolarHBondContact OG1-N 2.98Å; T47-F50 VanDerWaalsContact OG1-N 3.13Å; F50-F53 HydrophobicContact CD2-CD1 4.42Å; F50-F53 HydrophobicContact CE2-CD1 4.47Å; F50-F53 WeakPolarHBondContact O-CB 3.17Å; F50-F53 PolarHBondContact O-N 3.35Å; F50-M54 HydrophobicContact CD1-CG 4.2Å; F50-M54 HydrophobicContact CD2-CG 4.36Å; F50-M54 HydrophobicContact CE1-CG 3.66Å; F50-M54 HydrophobicContact CE2-CG 3.84Å; F50-M54 HydrophobicContact CE2-SD 4.06Å; F50-M54 HydrophobicContact CZ-CG 3.44Å; F50-M54 VanDerWaalsContact CZ-CG 3.44Å; F50-M54 HydrophobicContact CZ-SD 3.86Å; F50-M54 WeakPolarHBondContact O-CG 3.44Å; F50-M54 PolarHBondContact O-N 3.41Å; F50-V66 HydrophobicContact CE2-CG1 4.08Å; F50-V66 HydrophobicContact CE2-CG2 3.91Å; F50-V66 HydrophobicContact CZ-CG1 4.29Å; F50-V66 HydrophobicContact CZ-CG2 3.82Å; F50-M69 HydrophobicContact CE1-CE 3.99Å; F50-M69 HydrophobicContact CE2-CE 4.49Å; F50-M69 HydrophobicContact CZ-CE 3.99Å; F50-Y112 HydrophobicContact CB-CD1 3.88Å; F50-Y112 HydrophobicContact CB-CE1 3.95Å
51	Q	94.9	Very high	95	Very high	85 Å²	85	42.6 Å²	42.6	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-45.2	176.6	-71.6	-179.2	-7.2	0	0	111.3	T47 D48 F53 M54 Q55	T47-Q51 WeakPolarHBondContact O-CG 3.48Å; T47-Q51 PolarHBondContact O-N 3.46Å; D48-Q51 PolarHBondContact O-N 3.13Å; Q51-F53 VanDerWaalsContact C-N 3.34Å; Q51-F53 PolarHBondContact O-N 3.36Å; Q51-M54 PolarHBondContact O-N 3.03Å; Q51-Q55 VanDerWaalsContact O-CG 3.3Å; Q51-Q55 WeakPolarHBondContact O-CG 3.11Å; Q51-Q55 PolarHBondContact O-N 2.89Å
52	R	95.8	Very high	95	Very high	19 Å²	19	43.5 Å²	43.5	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-45.1	173.1	-178	-177.8	62	-157.3	-7	111.7	D48 G49 M54 Q55 T56 I115 N261 F522	D48-R52 PolarHBondContact O-N 3.16Å; G49-R52 PolarHBondContact O-N 3.39Å; R52-M54 PolarHBondContact O-N 3.22Å; R52-Q55 PolarHBondContact O-N 3.02Å; R52-T56 WeakPolarHBondContact O-CG2 3.37Å; R52-T56 PolarHBondContact O-N 3.28Å; R52-T56 VanDerWaalsContact O-N 3.09Å; R52-I115 HydrophobicContact CG-CG2 3.91Å; R52-N261 PolarHBondContact NH1-OD1 3.36Å; R52-F522 HydrophobicContact CB-CE2 4.37Å
53	F	97.8	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-50.9	175.4	164.5	-95.7	0	0	0	111.4	V39 T41 G49 F50 Q51 Q55 T56 A57 V64 V109 S111 L114 F116	V39-F53 HydrophobicContact CG1-CZ 4.46Å; T41-F53 HydrophobicContact CG2-CE1 3.85Å; T41-F53 HydrophobicContact CG2-CZ 4.18Å; G49-F53 PolarHBondContact O-N 3Å; F50-F53 HydrophobicContact CD2-CD1 4.42Å; F50-F53 HydrophobicContact CE2-CD1 4.47Å; F50-F53 WeakPolarHBondContact O-CB 3.17Å; F50-F53 PolarHBondContact O-N 3.35Å; Q51-F53 VanDerWaalsContact C-N 3.34Å; Q51-F53 PolarHBondContact O-N 3.36Å; F53-Q55 VanDerWaalsContact C-N 3.34Å; F53-Q55 PolarHBondContact O-N 3Å; F53-T56 PolarHBondContact O-N 3.07Å; F53-T56 PolarHBondContact O-OG1 3.45Å; F53-A57 WeakPolarHBondContact O-CB 3.38Å; F53-A57 PolarHBondContact O-N 2.95Å; F53-V64 HydrophobicContact CE1-CG1 3.98Å; F53-V64 HydrophobicContact CE1-CG2 4.49Å; F53-V64 HydrophobicContact CZ-CG1 4.32Å; F53-V109 HydrophobicContact CE2-CG2 3.89Å; F53-V109 HydrophobicContact CZ-CG2 4.07Å; F53-S111 WeakPolarHBondContact CB-O 3.28Å; F53-L114 WeakPolarHBondContact CB-O 3.42Å; F53-L114 HydrophobicContact CD2-CB 4.34Å; F53-L114 HydrophobicContact CD2-CD2 3.63Å; F53-L114 HydrophobicContact CE2-CD2 3.58Å; F53-F116 HydrophobicContact CD2-CD2 4.46Å; F53-F116 HydrophobicContact CD2-CE2 4.1Å; F53-F116 HydrophobicContact CE2-CD2 4.12Å; F53-F116 AromaticContact CE2-CE2 3.34Å; F53-F116 HydrophobicContact CE2-CE2 3.34Å; F53-F116 AromaticContact CE2-CZ 3.95Å; F53-F116 HydrophobicContact CE2-CZ 3.95Å; F53-F116 AromaticContact CZ-CE2 3.79Å; F53-F116 HydrophobicContact CZ-CE2 3.79Å; F53-F116 HydrophobicContact CZ-CZ 4.38Å
54	M	97.4	Very high	95	Very high	53 Å²	53	49.1 Å²	49.1	26%	0.261	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-36	179.4	-71.6	-56.8	-61.8	0	0	113	F50 Q51 R52 A57 S58 V64	F50-M54 HydrophobicContact CD1-CG 4.2Å; F50-M54 HydrophobicContact CD2-CG 4.36Å; F50-M54 HydrophobicContact CE1-CG 3.66Å; F50-M54 HydrophobicContact CE2-CG 3.84Å; F50-M54 HydrophobicContact CE2-SD 4.06Å; F50-M54 HydrophobicContact CZ-CG 3.44Å; F50-M54 VanDerWaalsContact CZ-CG 3.44Å; F50-M54 HydrophobicContact CZ-SD 3.86Å; F50-M54 WeakPolarHBondContact O-CG 3.44Å; F50-M54 PolarHBondContact O-N 3.41Å; Q51-M54 PolarHBondContact O-N 3.03Å; R52-M54 PolarHBondContact O-N 3.22Å; M54-A57 PolarHBondContact O-N 3.19Å; M54-S58 WeakPolarHBondContact O-CB 3.33Å; M54-S58 PolarHBondContact O-N 2.97Å; M54-S58 PolarHBondContact O-OG 2.81Å; M54-V64 HydrophobicContact CE-CB 4.27Å; M54-V64 HydrophobicContact SD-CB 4.23Å; M54-V64 HydrophobicContact SD-CG1 3.99Å; M54-V64 HydrophobicContact SD-CG2 4.4Å
55	Q	95	Very high	95.3	Very high	101 Å²	101	52.6 Å²	52.6	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-49.6	173.4	-75.6	170.2	-12.4	0	0	111	Q51 R52 F53 A57 S58 Y59	Q51-Q55 VanDerWaalsContact O-CG 3.3Å; Q51-Q55 WeakPolarHBondContact O-CG 3.11Å; Q51-Q55 PolarHBondContact O-N 2.89Å; R52-Q55 PolarHBondContact O-N 3.02Å; F53-Q55 VanDerWaalsContact C-N 3.34Å; F53-Q55 PolarHBondContact O-N 3Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 3.46Å; Q55-S58 PolarHBondContact O-N 2.91Å; Q55-Y59 PolarHBondContact O-N 3.06Å
56	T	96.8	Very high	95.7	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-34.4	178	67.5	0	0	0	0	112.7	R52 F53 F60 I115 F116 P268	R52-T56 WeakPolarHBondContact O-CG2 3.37Å; R52-T56 PolarHBondContact O-N 3.28Å; R52-T56 VanDerWaalsContact O-N 3.09Å; F53-T56 PolarHBondContact O-N 3.07Å; F53-T56 PolarHBondContact O-OG1 3.45Å; T56-F60 VanDerWaalsContact O-CD2 3.27Å; T56-F60 WeakPolarHBondContact O-CD2 3.35Å; T56-F60 PolarHBondContact O-N 2.95Å; T56-I115 HydrophobicContact CG2-CB 4.03Å; T56-I115 HydrophobicContact CG2-CG2 4.21Å; T56-F116 PolarHBondContact OG1-N 3.07Å; T56-P268 VanDerWaalsContact CG2-CD 3.45Å; T56-P268 HydrophobicContact CG2-CG 4.39Å
57	A	97.6	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-44.8	174.7	0	0	0	0	0	111.6	F53 M54 Q55 F60 N61 Y62 V64 F116	F53-A57 WeakPolarHBondContact O-CB 3.38Å; F53-A57 PolarHBondContact O-N 2.95Å; M54-A57 PolarHBondContact O-N 3.19Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 3.46Å; A57-F60 PolarHBondContact O-N 3.3Å; A57-N61 PolarHBondContact O-N 3.38Å; A57-Y62 PolarHBondContact O-N 2.83Å; A57-V64 HydrophobicContact CB-CG2 3.77Å; A57-F116 HydrophobicContact CB-CD2 3.83Å; A57-F116 HydrophobicContact CB-CE2 3.83Å
58	S	95.8	Very high	96.2	Very high	70 Å²	70	43.2 Å²	43.2	49%	0.49	23%	0.225	S	C	.	.	H	α-helix	trans	-66	-39.8	179.3	-56.7	0	0	0	0	111.7	M54 Q55 F60 N61	M54-S58 WeakPolarHBondContact O-CB 3.33Å; M54-S58 PolarHBondContact O-N 2.97Å; M54-S58 PolarHBondContact O-OG 2.81Å; Q55-S58 PolarHBondContact O-N 2.91Å; S58-F60 PolarHBondContact O-N 2.99Å; S58-N61 PolarHBondContact O-N 2.96Å; S58-N61 PolarHBondContact O-OD1 2.9Å
59	Y	94.9	Very high	96.3	Very high	84 Å²	84	46.5 Å²	46.5	33%	0.329	24%	0.241	S	C	.	.	H	α-helix	trans	-54.8	-36.9	175.3	176.1	-96	0	0	0	112.7	Q55 P268 N269	Q55-Y59 PolarHBondContact O-N 3.06Å; Y59-P268 HydrophobicContact CD1-CB 4Å; Y59-P268 HydrophobicContact CD1-CG 3.48Å; Y59-P268 VanDerWaalsContact CD1-CG 3.48Å; Y59-P268 HydrophobicContact CE1-CB 3.92Å; Y59-P268 HydrophobicContact CE1-CG 3.89Å; Y59-P268 HydrophobicContact CG-CG 3.94Å; Y59-N269 HydrophobicContact CD2-CB 4.21Å; Y59-N269 VanDerWaalsContact CD2-CG 3.42Å; Y59-N269 WeakPolarHBondContact CD2-OD1 3.42Å; Y59-N269 HydrophobicContact CE2-CB 3.63Å; Y59-N269 WeakPolarHBondContact CE2-ND2 3.45Å
60	F	96.4	Very high	96.2	Very high	18 Å²	18	49.7 Å²	49.7	8%	0.079	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	5.6	178.3	-69.9	-62.2	0	0	0	114.4	T56 A57 S58 Y62 F116 G118 P120 P268	T56-F60 VanDerWaalsContact O-CD2 3.27Å; T56-F60 WeakPolarHBondContact O-CD2 3.35Å; T56-F60 PolarHBondContact O-N 2.95Å; A57-F60 PolarHBondContact O-N 3.3Å; S58-F60 PolarHBondContact O-N 2.99Å; F60-Y62 VanDerWaalsContact C-N 3.34Å; F60-Y62 HydrophobicContact CB-CD2 3.6Å; F60-Y62 HydrophobicContact CB-CE2 3.59Å; F60-Y62 HydrophobicContact CD2-CE2 4.3Å; F60-Y62 HydrophobicContact CG-CE2 4.22Å; F60-Y62 PolarHBondContact O-N 3.15Å; F60-F116 HydrophobicContact CD2-CB 3.73Å; F60-F116 HydrophobicContact CE2-CB 4.02Å; F60-G118 WeakPolarHBondContact CD2-O 3.41Å; F60-P120 VanDerWaalsContact O-CD 3.22Å; F60-P120 WeakPolarHBondContact O-CD 3.44Å; F60-P268 HydrophobicContact CE2-CB 3.69Å; F60-P268 HydrophobicContact CE2-CG 3.73Å; F60-P268 HydrophobicContact CZ-CB 3.59Å; F60-P268 HydrophobicContact CZ-CG 4.06Å
61	N	96.6	Very high	96.1	Very high	139 Å²	139	53 Å²	53	74%	0.743	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	42.2	-175.8	-57.7	-49.6	0	0	0	113.5	A57 S58	A57-N61 PolarHBondContact O-N 3.38Å; S58-N61 PolarHBondContact O-N 2.96Å; S58-N61 PolarHBondContact O-OD1 2.9Å
62	Y	97.1	Very high	95.8	Very high	18 Å²	18	56 Å²	56	7%	0.071	31%	0.306	C	S	.	.			trans	-74.6	136.8	171	-80.4	-78.5	0	0	0	111.7	L37 V39 A57 F60 V64 F116 G118 G119 P120 I123	L37-Y62 HydrophobicContact CD2-CD1 4.12Å; L37-Y62 HydrophobicContact CD2-CE1 3.72Å; V39-Y62 HydrophobicContact CG2-CD1 3.49Å; V39-Y62 VanDerWaalsContact CG2-CD1 3.49Å; V39-Y62 HydrophobicContact CG2-CE1 4.21Å; V39-Y62 HydrophobicContact CG2-CG 4.15Å; A57-Y62 PolarHBondContact O-N 2.83Å; F60-Y62 VanDerWaalsContact C-N 3.34Å; F60-Y62 HydrophobicContact CB-CD2 3.6Å; F60-Y62 HydrophobicContact CB-CE2 3.59Å; F60-Y62 HydrophobicContact CD2-CE2 4.3Å; F60-Y62 HydrophobicContact CG-CE2 4.22Å; F60-Y62 PolarHBondContact O-N 3.15Å; Y62-V64 PolarHBondContact O-N 3.42Å; Y62-F116 HydrophobicContact CD2-CD1 4.13Å; Y62-F116 HydrophobicContact CD2-CD2 4.12Å; Y62-F116 HydrophobicContact CD2-CE1 4.31Å; Y62-F116 HydrophobicContact CD2-CE2 4.27Å; Y62-F116 HydrophobicContact CD2-CG 4.04Å; Y62-F116 HydrophobicContact CD2-CZ 4.38Å; Y62-F116 HydrophobicContact CE1-CE1 4.23Å; Y62-F116 HydrophobicContact CE2-CB 4.17Å; Y62-F116 AromaticContact CE2-CD1 3.51Å; Y62-F116 HydrophobicContact CE2-CD1 3.51Å; Y62-F116 HydrophobicContact CE2-CD2 4.27Å; Y62-F116 AromaticContact CE2-CE1 3.89Å; Y62-F116 HydrophobicContact CE2-CE1 3.89Å; Y62-F116 AromaticContact CE2-CG 3.72Å; Y62-F116 HydrophobicContact CE2-CG 3.72Å; Y62-F116 HydrophobicContact CE2-CZ 4.42Å; Y62-F116 HydrophobicContact CG-CZ 4.49Å; Y62-F116 AromaticContact CZ-CD1 3.77Å; Y62-F116 AromaticContact CZ-CE1 3.85Å; Y62-G118 WeakPolarHBondContact CE2-O 3.41Å; Y62-G118 PolarHBondContact OH-O 2.78Å; Y62-G118 VanDerWaalsContact OH-O 3.12Å; Y62-G119 PolarHBondContact OH-O 3.22Å; Y62-P120 HydrophobicContact CD1-CG 3.76Å; Y62-P120 HydrophobicContact CD2-CG 4.47Å; Y62-P120 HydrophobicContact CE1-CB 4.2Å; Y62-P120 HydrophobicContact CE1-CG 3.7Å; Y62-P120 HydrophobicContact CE2-CG 4.41Å; Y62-P120 HydrophobicContact CG-CG 4.16Å; Y62-I123 HydrophobicContact CE1-CG2 4.21Å
63	T	94.3	Very high	95.4	Very high	101 Å²	101	59 Å²	59	62%	0.62	32%	0.317	S	S	*	.			trans	-84.4	103.3	168.1	-54.8	0	0	0	0	109.7	V39	V39-T63 PolarHBondContact N-O 3.43Å
64	V	97.8	Very high	95	Very high	30 Å²	30	65.1 Å²	65.1	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.3	-178.5	-175.5	0	0	0	0	110.9	V39 T41 F53 M54 A57 Y62 V66	V39-V64 HydrophobicContact CB-CG2 4.14Å; V39-V64 HydrophobicContact CG1-CG2 4.34Å; V39-V64 CarbonylContact O-C 3.23Å; V39-V64 WeakPolarHBondContact O-CA 3.35Å; T41-V64 HydrophobicContact CG2-CG1 3.74Å; F53-V64 HydrophobicContact CE1-CG1 3.98Å; F53-V64 HydrophobicContact CE1-CG2 4.49Å; F53-V64 HydrophobicContact CZ-CG1 4.32Å; M54-V64 HydrophobicContact CE-CB 4.27Å; M54-V64 HydrophobicContact SD-CB 4.23Å; M54-V64 HydrophobicContact SD-CG1 3.99Å; M54-V64 HydrophobicContact SD-CG2 4.4Å; A57-V64 HydrophobicContact CB-CG2 3.77Å; Y62-V64 PolarHBondContact O-N 3.42Å; V64-V66 HydrophobicContact CG1-CG2 4.14Å
65	K	97.8	Very high	94.4	Very high	87 Å²	87	62.6 Å²	62.6	38%	0.378	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.9	168.1	177.2	177.8	-178.3	-177.5	0	109.4	V39 L40 T41 L67	V39-K65 PolarHBondContact O-N 2.78Å; L40-K65 WeakPolarHBondContact CA-O 3.5Å; L40-K65 HydrophobicContact CD2-CB 3.69Å; L40-K65 HydrophobicContact CD2-CD 3.8Å; L40-K65 HydrophobicContact CD2-CG 3.94Å; T41-K65 PolarHBondContact N-O 2.83Å; K65-L67 HydrophobicContact CD-CD2 4.46Å; K65-L67 HydrophobicContact CG-CD2 4.17Å
66	V	98.1	Very high	93.7	Very high	46 Å²	46	58.8 Å²	58.8	28%	0.279	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.3	-177.9	-172.9	0	0	0	0	109.8	T41 A43 F50 V64 M69	T41-V66 HydrophobicContact CG2-CG1 4.49Å; T41-V66 HydrophobicContact CG2-CG2 4.12Å; A43-V66 HydrophobicContact CB-CG1 3.81Å; F50-V66 HydrophobicContact CE2-CG1 4.08Å; F50-V66 HydrophobicContact CE2-CG2 3.91Å; F50-V66 HydrophobicContact CZ-CG1 4.29Å; F50-V66 HydrophobicContact CZ-CG2 3.82Å; V64-V66 HydrophobicContact CG1-CG2 4.14Å; V66-M69 HydrophobicContact CG1-CB 4.36Å; V66-M69 HydrophobicContact CG1-CE 4.01Å
67	L	97.8	Very high	92.5	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.5	-178.5	-50.8	179.2	0	0	0	110	L40 T41 V42 A43 K65 L90 A94	L40-L67 HydrophobicContact CB-CD1 4.48Å; T41-L67 WeakPolarHBondContact O-CB 3.48Å; T41-L67 PolarHBondContact O-N 3.21Å; V42-L67 WeakPolarHBondContact CA-O 3.5Å; V42-L67 HydrophobicContact CG2-CB 4.14Å; A43-L67 PolarHBondContact N-O 3.32Å; A43-L67 VanDerWaalsContact N-O 3.14Å; K65-L67 HydrophobicContact CD-CD2 4.46Å; K65-L67 HydrophobicContact CG-CD2 4.17Å; L67-L90 HydrophobicContact CB-CB 4.22Å; L67-L90 HydrophobicContact CD1-CB 4.47Å; L67-A94 HydrophobicContact CD1-CB 3.84Å; L67-A94 HydrophobicContact CD2-CB 3.78Å; L67-A94 HydrophobicContact CG-CB 4.49Å
68	G	95.3	Very high	91	Very high	9 Å²	9	62.4 Å²	62.4	9%	0.093	34%	0.34	C	S	.	.	S	Bend	trans	76.6	14.1	174.7	0	0	0	0	0	116	A43 T44 G70 E71	A43-G68 CarbonylContact O-C 3.58Å; A43-G68 VanDerWaalsContact O-C 3.27Å; T44-G68 WeakPolarHBondContact CA-O 3.27Å; G68-G70 PolarHBondContact O-N 3.33Å; G68-E71 VanDerWaalsContact O-CB 3.3Å; G68-E71 WeakPolarHBondContact O-CB 3.47Å; G68-E71 PolarHBondContact O-N 3.47Å
69	M	95.9	Very high	89.3	Confident	79 Å²	79	61.4 Å²	61.4	39%	0.389	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	126.1	178.5	-175.1	59	74.8	0	0	110.9	A43 E46 F50 V66 E71	A43-M69 HydrophobicContact CB-CE 3.98Å; A43-M69 WeakPolarHBondContact O-CA 3.32Å; A43-M69 PolarHBondContact O-N 3.19Å; A43-M69 VanDerWaalsContact O-N 3.11Å; E46-M69 HydrophobicContact CG-CE 3.81Å; E46-M69 HydrophobicContact CG-SD 4.13Å; F50-M69 HydrophobicContact CE1-CE 3.99Å; F50-M69 HydrophobicContact CE2-CE 4.49Å; F50-M69 HydrophobicContact CZ-CE 3.99Å; V66-M69 HydrophobicContact CG1-CB 4.36Å; V66-M69 HydrophobicContact CG1-CE 4.01Å; M69-E71 PolarHBondContact O-N 2.91Å
70	G	92.1	Very high	87.7	Confident	71 Å²	71	64.3 Å²	64.3	73%	0.732	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-8.4	-175	0	0	0	0	0	114.7	T44 G68	T44-G70 PolarHBondContact O-N 3.34Å; G68-G70 PolarHBondContact O-N 3.33Å
71	E	92.3	Very high	86.6	Confident	81 Å²	81	66.1 Å²	66.1	38%	0.379	37%	0.367	S	S	.	.	S	Bend	trans	-73.9	150	172.4	-66.4	-174.9	-149.5	0	0	111.6	T44 G68 M69 W73 R89	T44-E71 VanDerWaalsContact CB-O 3.3Å; T44-E71 WeakPolarHBondContact CB-O 3.4Å; T44-E71 WeakPolarHBondContact CG2-O 3.4Å; G68-E71 VanDerWaalsContact O-CB 3.3Å; G68-E71 WeakPolarHBondContact O-CB 3.47Å; G68-E71 PolarHBondContact O-N 3.47Å; M69-E71 PolarHBondContact O-N 2.91Å; E71-W73 PolarHBondContact O-N 3.44Å; E71-R89 IonicContact OE2-NH2 3.41Å
72	M	88.3	Confident	85.9	Confident	150 Å²	150	63.6 Å²	63.6	74%	0.739	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-69.4	131.1	170.2	-172.1	-177.7	-66.3	0	0	110.1	K74 Q86	M72-K74 PolarHBondContact O-N 3.01Å; M72-Q86 PolarHBondContact O-NE2 2.88Å; M72-Q86 VanDerWaalsContact O-NE2 3.07Å
73	W	88.8	Confident	85.6	Confident	80 Å²	80	62.8 Å²	62.8	30%	0.303	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-71.3	117.9	173.7	179.4	-102.9	0	0	0	111	V42 T44 E71 G75 G76 V78 Q86 K87	V42-W73 HydrophobicContact CG1-CZ3 4.35Å; T44-W73 HydrophobicContact CG2-CB 4.16Å; T44-W73 HydrophobicContact CG2-CE3 4.02Å; E71-W73 PolarHBondContact O-N 3.44Å; W73-G75 VanDerWaalsContact CE2-CA 3.46Å; W73-G75 VanDerWaalsContact CZ2-CA 3.47Å; W73-G76 PolarHBondContact NE1-O 3.42Å; W73-V78 HydrophobicContact CH2-CG2 4.4Å; W73-V78 HydrophobicContact CZ2-CB 4.41Å; W73-V78 HydrophobicContact CZ2-CG1 4.01Å; W73-V78 HydrophobicContact CZ2-CG2 3.46Å; W73-V78 VanDerWaalsContact CZ2-CG2 3.46Å; W73-Q86 HydrophobicContact CZ3-CB 4.45Å; W73-K87 HydrophobicContact CH2-CD 4.25Å; W73-K87 HydrophobicContact CH2-CG 3.84Å; W73-K87 HydrophobicContact CZ3-CG 3.97Å
74	K	88.8	Confident	85.4	Confident	129 Å²	129	58 Å²	58	56%	0.561	32%	0.32	S	S	*	.			trans	-111.6	1.7	176.8	-63	179.2	-176.6	176	0	112.5	M72 G76 D185	M72-K74 PolarHBondContact O-N 3.01Å; K74-G76 PolarHBondContact O-N 3.35Å; K74-G76 VanDerWaalsContact O-N 3.09Å; K74-D185 HydrophobicContact CB-CB 3.92Å
75	G	84.3	Confident	85.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-74.3	11.2	-175.4	0	0	0	0	0	117	W73 G83 G84 D185	W73-G75 VanDerWaalsContact CE2-CA 3.46Å; W73-G75 VanDerWaalsContact CZ2-CA 3.47Å; G75-G83 CarbonylContact O-C 3.56Å; G75-G83 WeakPolarHBondContact O-CA 3.37Å; G75-G84 PolarHBondContact O-N 3.21Å; G75-D185 VanDerWaalsContact CA-O 3.28Å; G75-D185 WeakPolarHBondContact CA-O 3.5Å
76	G	80.3	Confident	85.1	Confident	21 Å²	21	52.5 Å²	52.5	22%	0.216	29%	0.294	C	S	.	.			trans	75.4	-170.1	-177.9	0	0	0	0	0	114.3	W73 K74 V78	W73-G76 PolarHBondContact NE1-O 3.42Å; K74-G76 PolarHBondContact O-N 3.35Å; K74-G76 VanDerWaalsContact O-N 3.09Å; G76-V78 PolarHBondContact O-N 3.25Å
77	D	71.4	Confident	85	Confident	18 Å²	18	51.2 Å²	51.2	10%	0.096	29%	0.285	C	S	.	.			trans	-89.9	73	-178.8	-172.3	24.7	0	0	0	111.6	G79 R80 S81 S500	D77-G79 PolarHBondContact O-N 3.39Å; D77-R80 PolarHBondContact O-N 3.41Å; D77-R80 WeakPolarHBondContact OD2-CD 3.47Å; D77-S81 PolarHBondContact O-N 3.4Å; D77-S81 PolarHBondContact O-OG 2.69Å; D77-S500 PolarHBondContact OD1-N 3.42Å
78	V	67.6	Low	85	Confident	64 Å²	64	50.6 Å²	50.6	39%	0.388	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-63.3	96.5	175.6	-82	0	0	0	0	110.2	W73 G76	W73-V78 HydrophobicContact CH2-CG2 4.4Å; W73-V78 HydrophobicContact CZ2-CB 4.41Å; W73-V78 HydrophobicContact CZ2-CG1 4.01Å; W73-V78 HydrophobicContact CZ2-CG2 3.46Å; W73-V78 VanDerWaalsContact CZ2-CG2 3.46Å; G76-V78 PolarHBondContact O-N 3.25Å
79	G	60.1	Low	85.1	Confident	50 Å²	50	52.9 Å²	52.9	52%	0.515	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	149.1	-29.9	-175.7	0	0	0	0	0	113.4	D77	D77-G79 PolarHBondContact O-N 3.39Å
80	R	60.6	Low	85.2	Confident	144 Å²	144	49.5 Å²	49.5	54%	0.543	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-27.8	173.6	-64.2	-175.1	-179.7	-146	-8.3	113.5	D77 E497 T499 H501	D77-R80 PolarHBondContact O-N 3.41Å; D77-R80 WeakPolarHBondContact OD2-CD 3.47Å; R80-E497 IonicContact NH2-OE1 3.17Å; R80-T499 HydrophobicContact CG-CG2 4.18Å; R80-T499 PolarHBondContact NE-OG1 3.45Å; R80-T499 PolarHBondContact NH2-OG1 3.13Å; R80-H501 PolarHBondContact NH2-CE1 2.72Å
81	S	72.9	Confident	85.5	Confident	57 Å²	57	46.1 Å²	46.1	40%	0.399	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-134.8	179.2	-178.5	68.7	0	0	0	0	112.2	D77	D77-S81 PolarHBondContact O-N 3.4Å; D77-S81 PolarHBondContact O-OG 2.69Å
82	I	83.2	Confident	85.7	Confident	86 Å²	86	45 Å²	45	44%	0.441	23%	0.229	S	C	.	.	S	Bend	trans	-59.6	153.3	166.7	54.5	161.9	0	0	0	111.9	W143 P144 D188	I82-W143 HydrophobicContact CG2-CH2 4.1Å; I82-W143 HydrophobicContact CG2-CZ2 4.05Å; I82-P144 HydrophobicContact CG2-CB 3.67Å; I82-P144 HydrophobicContact CG2-CG 4Å; I82-D188 VanDerWaalsContact CA-OD2 3.27Å; I82-D188 WeakPolarHBondContact CA-OD2 3.47Å; I82-D188 HydrophobicContact CB-CB 3.93Å; I82-D188 WeakPolarHBondContact CB-OD2 3.49Å; I82-D188 HydrophobicContact CG2-CB 4.21Å
83	G	89.2	Confident	86.1	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	22%	0.215	C	C	.	.			trans	160.6	-161.8	176.7	0	0	0	0	0	113.8	G75 D187 D188 D189	G75-G83 CarbonylContact O-C 3.56Å; G75-G83 WeakPolarHBondContact O-CA 3.37Å; G83-D187 CarbonylContact C-O 3.29Å; G83-D188 PolarHBondContact N-OD2 3.49Å; G83-D188 VanDerWaalsContact N-OD2 3.08Å; G83-D188 WeakPolarHBondContact O-CA 3.05Å; G83-D189 PolarHBondContact O-N 3.01Å; G83-D189 VanDerWaalsContact O-N 3.11Å; G83-D189 VanDerWaalsContact O-OD1 3.06Å
84	G	90.2	Very high	86.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	91.4	-0.1	176.1	0	0	0	0	0	115.3	G75 Q86 K87	G75-G84 PolarHBondContact O-N 3.21Å; G84-Q86 PolarHBondContact O-N 2.81Å; G84-Q86 VanDerWaalsContact O-N 3.14Å; G84-K87 WeakPolarHBondContact O-CB 3.36Å; G84-K87 WeakPolarHBondContact O-CG 3.37Å; G84-K87 PolarHBondContact O-N 3.12Å
85	G	94.6	Very high	86.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-53.8	-31.7	179.1	0	0	0	0	0	115.2	K87 V88 R89 W181 D185 D187	G85-K87 PolarHBondContact O-N 3.41Å; G85-K87 VanDerWaalsContact O-N 3.13Å; G85-V88 WeakPolarHBondContact O-CA 3.27Å; G85-V88 WeakPolarHBondContact O-CB 3.45Å; G85-V88 PolarHBondContact O-N 3.4Å; G85-R89 PolarHBondContact O-N 3.12Å; G85-W181 WeakPolarHBondContact O-CZ2 3.39Å; G85-D185 CarbonylContact C-O 3.54Å; G85-D185 VanDerWaalsContact CA-O 3.26Å; G85-D185 WeakPolarHBondContact CA-O 3.42Å; G85-D185 PolarHBondContact N-O 3.38Å; G85-D185 VanDerWaalsContact N-O 3.1Å; G85-D187 VanDerWaalsContact CA-O 3.27Å; G85-D187 WeakPolarHBondContact CA-O 3.5Å; G85-D187 PolarHBondContact N-O 3Å
86	Q	95.4	Very high	87.3	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-53.6	-34.5	172.6	-170.9	179.5	8.6	0	0	111.8	M72 W73 G84 V88 R89 L90 D185	M72-Q86 PolarHBondContact O-NE2 2.88Å; M72-Q86 VanDerWaalsContact O-NE2 3.07Å; W73-Q86 HydrophobicContact CZ3-CB 4.45Å; G84-Q86 PolarHBondContact O-N 2.81Å; G84-Q86 VanDerWaalsContact O-N 3.14Å; Q86-V88 VanDerWaalsContact C-N 3.33Å; Q86-V88 PolarHBondContact O-N 3.06Å; Q86-R89 PolarHBondContact O-N 3.26Å; Q86-L90 HydrophobicContact CG-CD1 4.1Å; Q86-L90 HydrophobicContact CG-CG 4.42Å; Q86-L90 WeakPolarHBondContact O-CB 3.3Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.37Å; Q86-L90 PolarHBondContact O-N 2.78Å; Q86-D185 HydrophobicContact CB-CB 3.99Å; Q86-D185 PolarHBondContact N-O 3.01Å
87	K	96.6	Very high	87.9	Confident	20 Å²	20	42 Å²	42	9%	0.087	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-41.2	176.1	-60.3	-172	-63.6	174.8	0	111.6	V42 W73 G84 G85 L91 F108 D110 D189	V42-K87 HydrophobicContact CB-CD 4.39Å; V42-K87 HydrophobicContact CB-CG 4Å; V42-K87 HydrophobicContact CG1-CG 4.06Å; V42-K87 HydrophobicContact CG2-CB 3.94Å; V42-K87 HydrophobicContact CG2-CG 3.99Å; W73-K87 HydrophobicContact CH2-CD 4.25Å; W73-K87 HydrophobicContact CH2-CG 3.84Å; W73-K87 HydrophobicContact CZ3-CG 3.97Å; G84-K87 WeakPolarHBondContact O-CB 3.36Å; G84-K87 WeakPolarHBondContact O-CG 3.37Å; G84-K87 PolarHBondContact O-N 3.12Å; G85-K87 PolarHBondContact O-N 3.41Å; G85-K87 VanDerWaalsContact O-N 3.13Å; K87-L91 VanDerWaalsContact O-CB 3.24Å; K87-L91 WeakPolarHBondContact O-CB 3.42Å; K87-L91 PolarHBondContact O-N 3.05Å; K87-F108 HydrophobicContact CB-CZ 4.17Å; K87-D110 IonicContact NZ-OD1 3.99Å; K87-D110 PolarHBondContact NZ-OD1 2.83Å; K87-D110 IonicContact NZ-OD2 2.99Å; K87-D110 PolarHBondContact NZ-OD2 3.19Å; K87-D189 WeakPolarHBondContact CE-OD2 3.05Å; K87-D189 IonicContact NZ-OD2 2.81Å; K87-D189 PolarHBondContact NZ-OD2 3.01Å
88	V	97.6	Very high	89	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-41.9	179.7	-170.6	0	0	0	0	110.6	G85 Q86 L91 K92 W181 D189 F192 Y193	G85-V88 WeakPolarHBondContact O-CA 3.27Å; G85-V88 WeakPolarHBondContact O-CB 3.45Å; G85-V88 PolarHBondContact O-N 3.4Å; Q86-V88 VanDerWaalsContact C-N 3.33Å; Q86-V88 PolarHBondContact O-N 3.06Å; V88-L91 PolarHBondContact O-N 3.08Å; V88-K92 WeakPolarHBondContact O-CB 3.17Å; V88-K92 PolarHBondContact O-N 3.45Å; V88-W181 HydrophobicContact CB-CD2 3.78Å; V88-W181 HydrophobicContact CB-CE3 3.75Å; V88-W181 HydrophobicContact CB-CG 4.23Å; V88-W181 HydrophobicContact CB-CH2 4.48Å; V88-W181 HydrophobicContact CB-CZ3 4.1Å; V88-W181 HydrophobicContact CG1-CB 3.79Å; V88-W181 HydrophobicContact CG1-CD2 3.63Å; V88-W181 HydrophobicContact CG1-CE3 3.54Å; V88-W181 HydrophobicContact CG1-CG 3.76Å; V88-W181 HydrophobicContact CG1-CZ3 4.32Å; V88-W181 HydrophobicContact CG2-CE3 4.09Å; V88-W181 HydrophobicContact CG2-CH2 4.46Å; V88-W181 HydrophobicContact CG2-CZ3 4.01Å; V88-D189 HydrophobicContact CG2-CB 3.57Å; V88-F192 HydrophobicContact CG1-CD1 4.05Å; V88-F192 HydrophobicContact CG1-CE1 3.75Å; V88-F192 HydrophobicContact CG1-CZ 4.46Å; V88-F192 HydrophobicContact CG2-CD1 4.49Å; V88-Y193 HydrophobicContact CG2-CE2 3.94Å
89	R	97.7	Very high	90	Very high	57 Å²	57	40.3 Å²	40.3	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-51.2	173.8	-178.6	-174.4	58.8	72.5	-3.2	111.5	E71 G85 Q86 L91 K92 E93 D185	E71-R89 IonicContact OE2-NH2 3.41Å; G85-R89 PolarHBondContact O-N 3.12Å; Q86-R89 PolarHBondContact O-N 3.26Å; R89-L91 VanDerWaalsContact C-N 3.31Å; R89-L91 PolarHBondContact O-N 2.91Å; R89-K92 WeakPolarHBondContact O-CB 3.29Å; R89-K92 PolarHBondContact O-N 2.92Å; R89-E93 WeakPolarHBondContact CG-OE1 3.32Å; R89-E93 IonicContact CZ-OE1 3.97Å; R89-E93 IonicContact NH1-OE1 2.91Å; R89-E93 PolarHBondContact NH1-OE1 2.99Å; R89-E93 IonicContact NH1-OE2 2.68Å; R89-E93 PolarHBondContact NH1-OE2 3.2Å; R89-E93 WeakPolarHBondContact O-CG 3.38Å; R89-E93 PolarHBondContact O-N 2.99Å; R89-D185 WeakPolarHBondContact CD-OD1 3.32Å; R89-D185 IonicContact CZ-OD1 3.07Å; R89-D185 IonicContact NE-OD1 2.7Å; R89-D185 PolarHBondContact NE-OD1 2.98Å; R89-D185 IonicContact NE-OD2 3.17Å; R89-D185 IonicContact NH2-OD2 2.77Å
90	L	97.5	Very high	91.5	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-39.7	178.8	-71.3	171.4	0	0	0	112	V42 L67 Q86 E93 A94	V42-L90 HydrophobicContact CG1-CD1 3.97Å; V42-L90 HydrophobicContact CG2-CD1 4.33Å; L67-L90 HydrophobicContact CB-CB 4.22Å; L67-L90 HydrophobicContact CD1-CB 4.47Å; Q86-L90 HydrophobicContact CG-CD1 4.1Å; Q86-L90 HydrophobicContact CG-CG 4.42Å; Q86-L90 WeakPolarHBondContact O-CB 3.3Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.37Å; Q86-L90 PolarHBondContact O-N 2.78Å; L90-E93 PolarHBondContact O-N 2.88Å; L90-A94 WeakPolarHBondContact O-CB 3.33Å; L90-A94 PolarHBondContact O-N 3.42Å
91	L	97.9	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-42.5	175.2	-179	57.7	0	0	0	111.4	L40 K87 V88 R89 A94 M95 F108 V178	L40-L91 HydrophobicContact CB-CD1 4.3Å; L40-L91 HydrophobicContact CD1-CD1 3.51Å; K87-L91 VanDerWaalsContact O-CB 3.24Å; K87-L91 WeakPolarHBondContact O-CB 3.42Å; K87-L91 PolarHBondContact O-N 3.05Å; V88-L91 PolarHBondContact O-N 3.08Å; R89-L91 VanDerWaalsContact C-N 3.31Å; R89-L91 PolarHBondContact O-N 2.91Å; L91-A94 PolarHBondContact O-N 3.29Å; L91-M95 HydrophobicContact CD1-CG 4.02Å; L91-M95 HydrophobicContact CD1-SD 4.39Å; L91-M95 HydrophobicContact CG-CG 4.29Å; L91-M95 WeakPolarHBondContact O-CB 3.45Å; L91-M95 VanDerWaalsContact O-CG 3.23Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 2.8Å; L91-F108 HydrophobicContact CB-CD2 4.43Å; L91-F108 HydrophobicContact CB-CE2 4.22Å; L91-F108 HydrophobicContact CD1-CD2 3.67Å; L91-F108 HydrophobicContact CD1-CE2 4.24Å; L91-F108 HydrophobicContact CD1-CG 4.37Å; L91-F108 HydrophobicContact CD2-CB 4.15Å; L91-F108 HydrophobicContact CD2-CD1 4.21Å; L91-F108 HydrophobicContact CD2-CD2 3.62Å; L91-F108 HydrophobicContact CD2-CE2 4.02Å; L91-F108 HydrophobicContact CD2-CG 3.71Å; L91-F108 HydrophobicContact CD2-CZ 4.49Å; L91-F108 HydrophobicContact CG-CD2 4.1Å; L91-F108 HydrophobicContact CG-CE2 4.39Å; L91-V178 HydrophobicContact CD2-CG1 3.72Å; L91-V178 HydrophobicContact CG-CG1 3.99Å
92	K	97.6	Very high	93.9	Very high	58 Å²	58	44.5 Å²	44.5	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-56	-51.6	175.1	178.1	-176.4	179.1	177.1	0	111.2	V88 R89 A94 M95 E96 V178 W181	V88-K92 WeakPolarHBondContact O-CB 3.17Å; V88-K92 PolarHBondContact O-N 3.45Å; R89-K92 WeakPolarHBondContact O-CB 3.29Å; R89-K92 PolarHBondContact O-N 2.92Å; K92-A94 VanDerWaalsContact C-N 3.33Å; K92-A94 PolarHBondContact O-N 3.48Å; K92-M95 PolarHBondContact O-N 2.76Å; K92-E96 PolarHBondContact O-N 3.07Å; K92-V178 HydrophobicContact CB-CB 4.22Å; K92-V178 HydrophobicContact CB-CG2 4.09Å; K92-W181 HydrophobicContact CD-CB 4.36Å; K92-W181 PolarHBondContact NZ-O 3.43Å
93	E	96.5	Very high	94.3	Very high	91 Å²	91	44.3 Å²	44.3	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-43.4	177.2	-69	166.7	-162.5	0	0	111.7	R89 L90 M95 E96	R89-E93 WeakPolarHBondContact CG-OE1 3.32Å; R89-E93 IonicContact CZ-OE1 3.97Å; R89-E93 IonicContact NH1-OE1 2.91Å; R89-E93 PolarHBondContact NH1-OE1 2.99Å; R89-E93 IonicContact NH1-OE2 2.68Å; R89-E93 PolarHBondContact NH1-OE2 3.2Å; R89-E93 WeakPolarHBondContact O-CG 3.38Å; R89-E93 PolarHBondContact O-N 2.99Å; L90-E93 PolarHBondContact O-N 2.88Å; E93-M95 VanDerWaalsContact C-N 3.34Å; E93-M95 PolarHBondContact O-N 3.42Å; E93-E96 PolarHBondContact O-N 3.33Å
94	A	96.7	Very high	94.7	Very high	9 Å²	9	44.8 Å²	44.8	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-38	177.9	0	0	0	0	0	112.8	L67 L90 L91 K92 E96 S97	L67-A94 HydrophobicContact CD1-CB 3.84Å; L67-A94 HydrophobicContact CD2-CB 3.78Å; L67-A94 HydrophobicContact CG-CB 4.49Å; L90-A94 WeakPolarHBondContact O-CB 3.33Å; L90-A94 PolarHBondContact O-N 3.42Å; L91-A94 PolarHBondContact O-N 3.29Å; K92-A94 VanDerWaalsContact C-N 3.33Å; K92-A94 PolarHBondContact O-N 3.48Å; A94-E96 VanDerWaalsContact C-N 3.31Å; A94-E96 PolarHBondContact O-N 2.88Å; A94-S97 PolarHBondContact O-N 3.33Å; A94-S97 PolarHBondContact O-OG 2.75Å
95	M	97.3	Very high	95.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.7	-24.3	-177.2	-74.9	-52.8	-54.3	0	0	113.5	L40 L91 K92 E93 S97 L98 A99 V106 A171 V174 N175 V178	L40-M95 HydrophobicContact CD1-SD 3.98Å; L91-M95 HydrophobicContact CD1-CG 4.02Å; L91-M95 HydrophobicContact CD1-SD 4.39Å; L91-M95 HydrophobicContact CG-CG 4.29Å; L91-M95 WeakPolarHBondContact O-CB 3.45Å; L91-M95 VanDerWaalsContact O-CG 3.23Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 2.8Å; K92-M95 PolarHBondContact O-N 2.76Å; E93-M95 VanDerWaalsContact C-N 3.34Å; E93-M95 PolarHBondContact O-N 3.42Å; M95-S97 PolarHBondContact O-N 3.48Å; M95-L98 HydrophobicContact CE-CB 4.17Å; M95-L98 PolarHBondContact O-N 2.8Å; M95-L98 HydrophobicContact SD-CB 4.45Å; M95-L98 HydrophobicContact SD-CD1 4.25Å; M95-A99 WeakPolarHBondContact O-CB 3.43Å; M95-A99 PolarHBondContact O-N 3.05Å; M95-V106 HydrophobicContact CE-CG2 4.06Å; M95-V106 HydrophobicContact SD-CG1 4.12Å; M95-V106 HydrophobicContact SD-CG2 3.97Å; M95-A171 HydrophobicContact CE-CB 3.93Å; M95-A171 WeakPolarHBondContact CE-O 3.27Å; M95-V174 HydrophobicContact CE-CB 4.09Å; M95-V174 HydrophobicContact CE-CG1 4.21Å; M95-V174 HydrophobicContact CG-CG1 4.25Å; M95-V174 HydrophobicContact SD-CG1 4.06Å; M95-N175 HydrophobicContact CB-CB 4.17Å; M95-N175 WeakPolarHBondContact CB-OD1 3.45Å; M95-N175 HydrophobicContact CE-CB 4.04Å; M95-V178 HydrophobicContact CB-CG2 4.07Å; M95-V178 HydrophobicContact CG-CG2 3.97Å
96	E	93.1	Very high	95.2	Very high	139 Å²	139	44.8 Å²	44.8	65%	0.65	24%	0.24	S	C	*	.	H	α-helix	trans	-55	-37.6	175.4	-68.2	178.4	176.7	0	0	111.9	K92 E93 A94	K92-E96 PolarHBondContact O-N 3.07Å; E93-E96 PolarHBondContact O-N 3.33Å; A94-E96 VanDerWaalsContact C-N 3.31Å; A94-E96 PolarHBondContact O-N 2.88Å
97	S	92.7	Very high	95.4	Very high	79 Å²	79	44.8 Å²	44.8	55%	0.552	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-16.6	178.2	68.2	0	0	0	0	114.8	A94 M95	A94-S97 PolarHBondContact O-N 3.33Å; A94-S97 PolarHBondContact O-OG 2.75Å; M95-S97 PolarHBondContact O-N 3.48Å
98	L	93.8	Very high	95.5	Very high	22 Å²	22	44 Å²	44	12%	0.115	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-17.4	-172.8	-60.8	178.4	0	0	0	113.1	V38 L40 M95 A100 Q101 L104	V38-L98 HydrophobicContact CG1-CD1 4.28Å; L40-L98 HydrophobicContact CD1-CD1 4.12Å; L40-L98 HydrophobicContact CD2-CD1 4.49Å; M95-L98 HydrophobicContact CE-CB 4.17Å; M95-L98 PolarHBondContact O-N 2.8Å; M95-L98 HydrophobicContact SD-CB 4.45Å; M95-L98 HydrophobicContact SD-CD1 4.25Å; L98-A100 PolarHBondContact O-N 3.19Å; L98-A100 VanDerWaalsContact O-N 3.13Å; L98-Q101 PolarHBondContact O-N 3.46Å; L98-L104 HydrophobicContact CB-CD2 4.04Å; L98-L104 HydrophobicContact CD2-CD2 4Å; L98-L104 HydrophobicContact CG-CD2 4.41Å
99	A	89.1	Confident	95.5	Very high	23 Å²	23	43.9 Å²	43.9	19%	0.19	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.4	-169.4	0	0	0	0	0	115.3	M95 Q101 N175	M95-A99 WeakPolarHBondContact O-CB 3.43Å; M95-A99 PolarHBondContact O-N 3.05Å; A99-Q101 VanDerWaalsContact C-N 3.31Å; A99-N175 HydrophobicContact CB-CB 3.71Å; A99-N175 VanDerWaalsContact CB-ND2 3.33Å; A99-N175 WeakPolarHBondContact CB-ND2 3.23Å
100	A	91.4	Very high	95.5	Very high	95 Å²	95	42.4 Å²	42.4	79%	0.785	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.6	-178.4	0	0	0	0	0	113.8	L98 E102	L98-A100 PolarHBondContact O-N 3.19Å; L98-A100 VanDerWaalsContact O-N 3.13Å; A100-E102 PolarHBondContact O-N 3.38Å
101	Q	93.1	Very high	95.4	Very high	82 Å²	82	42.1 Å²	42.1	38%	0.383	23%	0.231	S	C	.	.			trans	-89.3	96.8	-177.3	-59.4	-177.4	43.2	0	0	110.3	L98 A99 D103 L104	L98-Q101 PolarHBondContact O-N 3.46Å; A99-Q101 VanDerWaalsContact C-N 3.31Å; Q101-D103 VanDerWaalsContact C-N 3.31Å; Q101-D103 PolarHBondContact O-N 3.31Å; Q101-L104 HydrophobicContact CB-CB 3.61Å; Q101-L104 HydrophobicContact CB-CD2 4.21Å; Q101-L104 PolarHBondContact O-N 3.05Å
102	E	91.6	Very high	95.2	Very high	163 Å²	163	44.9 Å²	44.9	76%	0.762	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-31	-173	-64.5	-164.9	159.4	0	0	114.5	A100 P172	A100-E102 PolarHBondContact O-N 3.38Å; E102-P172 HydrophobicContact CG-CG 4.42Å
103	D	91.8	Very high	95	Very high	82 Å²	82	42.6 Å²	42.6	44%	0.439	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-3.4	-177.8	67	-17.9	0	0	0	113.7	K36 Q101	K36-D103 WeakPolarHBondContact CE-OD2 3.39Å; K36-D103 IonicContact NZ-OD1 3.23Å; K36-D103 PolarHBondContact NZ-OD1 2.7Å; K36-D103 IonicContact NZ-OD2 2.76Å; K36-D103 PolarHBondContact NZ-OD2 2.87Å; Q101-D103 VanDerWaalsContact C-N 3.31Å; Q101-D103 PolarHBondContact O-N 3.31Å
104	L	96.7	Very high	95	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	21%	0.213	C	C	.	.			trans	-75.4	128.5	176.6	-176.6	73	0	0	0	110.4	V38 L98 Q101 V106 Y170 A171	V38-L104 HydrophobicContact CG1-CD1 4.22Å; V38-L104 HydrophobicContact CG1-CD2 4.15Å; V38-L104 HydrophobicContact CG1-CG 4.3Å; L98-L104 HydrophobicContact CB-CD2 4.04Å; L98-L104 HydrophobicContact CD2-CD2 4Å; L98-L104 HydrophobicContact CG-CD2 4.41Å; Q101-L104 HydrophobicContact CB-CB 3.61Å; Q101-L104 HydrophobicContact CB-CD2 4.21Å; Q101-L104 PolarHBondContact O-N 3.05Å; L104-V106 HydrophobicContact CD2-CG2 4.42Å; L104-Y170 CarbonylContact O-C 3.59Å; L104-Y170 WeakPolarHBondContact O-CA 3.15Å; L104-A171 HydrophobicContact CB-CB 4.05Å; L104-A171 HydrophobicContact CD2-CB 4.03Å; L104-A171 HydrophobicContact CG-CB 4.28Å; L104-A171 PolarHBondContact O-N 3.5Å
105	V	97.9	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129	170.8	-178.3	0	0	0	0	109	I32 K36 L37 V38 L124 F127 I168 G169 Y170	I32-V105 HydrophobicContact CD1-CG2 3.89Å; I32-V105 HydrophobicContact CG2-CG2 4.33Å; K36-V105 PolarHBondContact O-N 3.22Å; L37-V105 WeakPolarHBondContact CA-O 3.42Å; L37-V105 HydrophobicContact CD1-CB 4.16Å; L37-V105 HydrophobicContact CD1-CG1 3.89Å; V38-V105 PolarHBondContact N-O 3.13Å; V105-L124 HydrophobicContact CB-CD2 4Å; V105-L124 HydrophobicContact CG1-CD2 4.06Å; V105-L124 HydrophobicContact CG2-CD2 4.01Å; V105-F127 HydrophobicContact CG1-CD1 4.1Å; V105-F127 HydrophobicContact CG1-CE1 4.06Å; V105-F127 HydrophobicContact CG2-CD1 4.42Å; V105-F127 HydrophobicContact CG2-CE1 4.16Å; V105-I168 HydrophobicContact CG1-CD1 3.94Å; V105-I168 HydrophobicContact CG1-CG1 3.63Å; V105-G169 WeakPolarHBondContact CA-O 3.3Å; V105-Y170 HydrophobicContact CG2-CD1 4.16Å; V105-Y170 HydrophobicContact CG2-CE1 4.11Å
106	V	98.2	Very high	95.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.3	176.1	176.1	0	0	0	0	108.4	V38 L40 M95 L104 I168 G169 A171 V174	V38-V106 HydrophobicContact CG1-CB 4.43Å; V38-V106 HydrophobicContact CG1-CG2 3.83Å; L40-V106 HydrophobicContact CD1-CG1 3.57Å; L40-V106 HydrophobicContact CG-CG1 4.09Å; M95-V106 HydrophobicContact CE-CG2 4.06Å; M95-V106 HydrophobicContact SD-CG1 4.12Å; M95-V106 HydrophobicContact SD-CG2 3.97Å; L104-V106 HydrophobicContact CD2-CG2 4.42Å; V106-I168 WeakPolarHBondContact O-CA 3.21Å; V106-G169 PolarHBondContact N-O 3.2Å; V106-G169 PolarHBondContact O-N 3.49Å; V106-A171 HydrophobicContact CG2-CB 3.9Å; V106-V174 HydrophobicContact CB-CG2 4.48Å
107	L	98.6	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	107.9	167.3	174.2	66.9	0	0	0	108.5	L37 V38 V39 L40 V109 F116 I123 I167 I168 F217	L37-L107 HydrophobicContact CD1-CB 4.04Å; V38-L107 PolarHBondContact O-N 3.16Å; V39-L107 CarbonylContact C-O 3.51Å; V39-L107 VanDerWaalsContact CA-O 3.29Å; V39-L107 WeakPolarHBondContact CA-O 3.36Å; V39-L107 HydrophobicContact CG1-CD2 4.39Å; V39-L107 HydrophobicContact CG2-CB 4.39Å; V39-L107 HydrophobicContact CG2-CD2 4.02Å; L40-L107 PolarHBondContact N-O 3.01Å; L107-V109 HydrophobicContact CD1-CG1 3.85Å; L107-V109 HydrophobicContact CD2-CG1 4.36Å; L107-V109 HydrophobicContact CG-CG1 3.94Å; L107-F116 HydrophobicContact CD2-CE1 3.89Å; L107-F116 HydrophobicContact CD2-CZ 4.2Å; L107-I123 HydrophobicContact CD1-CD1 4.06Å; L107-I123 HydrophobicContact CD2-CD1 3.71Å; L107-I167 CarbonylContact C-O 3.56Å; L107-I167 WeakPolarHBondContact CA-O 3.45Å; L107-I168 HydrophobicContact CD1-CB 3.94Å; L107-I168 HydrophobicContact CD1-CD1 4.43Å; L107-I168 HydrophobicContact CD1-CG1 4.47Å; L107-F217 HydrophobicContact CD1-CE1 3.82Å; L107-F217 HydrophobicContact CD1-CZ 3.66Å
108	F	98.7	Very high	95.5	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.013	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.2	169.3	-177.7	-95.2	0	0	0	110.3	L40 V42 K87 L91 G166 I167	L40-F108 HydrophobicContact CB-CD2 4.06Å; L40-F108 VanDerWaalsContact O-CA 3.3Å; L40-F108 WeakPolarHBondContact O-CA 3.25Å; V42-F108 HydrophobicContact CG2-CE2 4.03Å; V42-F108 HydrophobicContact CG2-CZ 4.13Å; K87-F108 HydrophobicContact CB-CZ 4.17Å; L91-F108 HydrophobicContact CB-CD2 4.43Å; L91-F108 HydrophobicContact CB-CE2 4.22Å; L91-F108 HydrophobicContact CD1-CD2 3.67Å; L91-F108 HydrophobicContact CD1-CE2 4.24Å; L91-F108 HydrophobicContact CD1-CG 4.37Å; L91-F108 HydrophobicContact CD2-CB 4.15Å; L91-F108 HydrophobicContact CD2-CD1 4.21Å; L91-F108 HydrophobicContact CD2-CD2 3.62Å; L91-F108 HydrophobicContact CD2-CE2 4.02Å; L91-F108 HydrophobicContact CD2-CG 3.71Å; L91-F108 HydrophobicContact CD2-CZ 4.49Å; L91-F108 HydrophobicContact CG-CD2 4.1Å; L91-F108 HydrophobicContact CG-CE2 4.39Å; F108-G166 CarbonylContact O-C 3.59Å; F108-G166 WeakPolarHBondContact O-CA 3Å; F108-I167 HydrophobicContact CB-CB 4.25Å; F108-I167 HydrophobicContact CD1-CD1 4.22Å; F108-I167 HydrophobicContact CD1-CG1 4.42Å; F108-I167 PolarHBondContact N-O 2.87Å; F108-I167 PolarHBondContact O-N 3.43Å
109	V	98.5	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.5	178.5	-72.6	0	0	0	0	111.2	V39 L40 T41 F53 L107 L114 F116 G165 F217 V249	V39-V109 HydrophobicContact CG1-CG2 3.81Å; L40-V109 PolarHBondContact O-N 3.4Å; L40-V109 VanDerWaalsContact O-N 3.08Å; T41-V109 WeakPolarHBondContact CA-O 3.47Å; T41-V109 WeakPolarHBondContact CB-O 3.32Å; T41-V109 PolarHBondContact OG1-O 3.26Å; F53-V109 HydrophobicContact CE2-CG2 3.89Å; F53-V109 HydrophobicContact CZ-CG2 4.07Å; L107-V109 HydrophobicContact CD1-CG1 3.85Å; L107-V109 HydrophobicContact CD2-CG1 4.36Å; L107-V109 HydrophobicContact CG-CG1 3.94Å; V109-L114 HydrophobicContact CB-CD1 3.75Å; V109-L114 HydrophobicContact CB-CD2 4.18Å; V109-L114 HydrophobicContact CG1-CD1 4.06Å; V109-L114 HydrophobicContact CG2-CD2 4.22Å; V109-F116 HydrophobicContact CG2-CZ 4.36Å; V109-G165 WeakPolarHBondContact CA-O 3.38Å; V109-F217 HydrophobicContact CG1-CE1 4.17Å; V109-V249 HydrophobicContact CG1-CG1 4.4Å
110	D	96.6	Very high	96.1	Very high	25 Å²	25	26.6 Å²	26.6	13%	0.134	15%	0.147	C	C	.	.			trans	-69.7	160.9	165	-73.3	-23.2	0	0	0	110.7	K87 L114 G165 H251	K87-D110 IonicContact NZ-OD1 3.99Å; K87-D110 PolarHBondContact NZ-OD1 2.83Å; K87-D110 IonicContact NZ-OD2 2.99Å; K87-D110 PolarHBondContact NZ-OD2 3.19Å; D110-L114 WeakPolarHBondContact O-CB 3.5Å; D110-L114 WeakPolarHBondContact O-CD1 3.49Å; D110-G165 PolarHBondContact N-O 3.36Å; D110-G165 VanDerWaalsContact N-O 3.15Å; D110-H251 IonicContact OD2-CE1 2.78Å; D110-H251 IonicContact OD2-NE2 3.85Å
111	S	95.1	Very high	96.3	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-119.6	-32.2	-177.2	57.8	0	0	0	0	116	T41 V42 F53 D113	T41-S111 WeakPolarHBondContact OG1-CB 3.26Å; V42-S111 PolarHBondContact O-OG 3.35Å; F53-S111 WeakPolarHBondContact CB-O 3.28Å; S111-D113 VanDerWaalsContact C-N 3.27Å; S111-D113 PolarHBondContact O-N 3.15Å
112	Y	93.7	Very high	96.5	Very high	58 Å²	58	27 Å²	27	23%	0.227	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-26	-173.4	-68.3	-4.5	0	0	0	112.6	A43 T44 K45 T47 G49 F50	A43-Y112 HydrophobicContact CB-CE1 3.85Å; T44-Y112 PolarHBondContact N-OH 2.76Å; T44-Y112 VanDerWaalsContact N-OH 3.1Å; T44-Y112 PolarHBondContact OG1-OH 3.41Å; K45-Y112 PolarHBondContact N-OH 3.04Å; K45-Y112 VanDerWaalsContact N-OH 3.1Å; K45-Y112 PolarHBondContact O-OH 3.42Å; T47-Y112 HydrophobicContact CG2-CD1 4.34Å; T47-Y112 HydrophobicContact CG2-CD2 4.42Å; T47-Y112 HydrophobicContact CG2-CE1 3.88Å; T47-Y112 HydrophobicContact CG2-CE2 4Å; T47-Y112 WeakPolarHBondContact OG1-CD1 3.45Å; T47-Y112 WeakPolarHBondContact OG1-CE1 3.25Å; G49-Y112 WeakPolarHBondContact CA-O 3.3Å; F50-Y112 HydrophobicContact CB-CD1 3.88Å; F50-Y112 HydrophobicContact CB-CE1 3.95Å
113	D	94.2	Very high	96.8	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.053	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	43.6	-176.8	63	-55.7	0	0	0	112.7	S111 H251 G252 K257 L260	S111-D113 VanDerWaalsContact C-N 3.27Å; S111-D113 PolarHBondContact O-N 3.15Å; D113-H251 PolarHBondContact O-CD2 2.95Å; D113-H251 IonicContact OD1-NE2 3.6Å; D113-H251 IonicContact OD2-CD2 3.87Å; D113-H251 PolarHBondContact OD2-CD2 2.83Å; D113-H251 IonicContact OD2-NE2 3.67Å; D113-H251 PolarHBondContact OD2-NE2 3.25Å; D113-G252 PolarHBondContact O-N 3.06Å; D113-G252 VanDerWaalsContact OD2-C 3.27Å; D113-K257 HydrophobicContact CB-CD 3.37Å; D113-K257 VanDerWaalsContact CB-NZ 3.32Å; D113-K257 IonicContact OD1-NZ 2.84Å; D113-K257 PolarHBondContact OD1-NZ 3.1Å; D113-K257 VanDerWaalsContact OD2-CE 3.31Å; D113-K257 WeakPolarHBondContact OD2-CE 3.29Å; D113-K257 IonicContact OD2-NZ 2.75Å; D113-K257 PolarHBondContact OD2-NZ 2.77Å; D113-L260 VanDerWaalsContact CA-CD2 3.5Å; D113-L260 HydrophobicContact CB-CD2 3.93Å; D113-L260 WeakPolarHBondContact O-CD2 3.42Å
114	L	96.5	Very high	97.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	143.9	179.3	-168.7	140.3	0	0	0	110.8	F53 V109 D110 V249 V250 H251	F53-L114 WeakPolarHBondContact CB-O 3.42Å; F53-L114 HydrophobicContact CD2-CB 4.34Å; F53-L114 HydrophobicContact CD2-CD2 3.63Å; F53-L114 HydrophobicContact CE2-CD2 3.58Å; V109-L114 HydrophobicContact CB-CD1 3.75Å; V109-L114 HydrophobicContact CB-CD2 4.18Å; V109-L114 HydrophobicContact CG1-CD1 4.06Å; V109-L114 HydrophobicContact CG2-CD2 4.22Å; D110-L114 WeakPolarHBondContact O-CB 3.5Å; D110-L114 WeakPolarHBondContact O-CD1 3.49Å; L114-V249 HydrophobicContact CD1-CG1 3.49Å; L114-V249 VanDerWaalsContact CD1-CG1 3.49Å; L114-V249 HydrophobicContact CD2-CG1 3.77Å; L114-V249 HydrophobicContact CG-CG1 3.68Å; L114-V250 WeakPolarHBondContact CA-O 3.43Å; L114-H251 HydrophobicContact CD1-CB 4.12Å
115	I	98.2	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.7	173	64.1	-178.4	0	0	0	110.3	R52 T56 V250 L260 L263 V267	R52-I115 HydrophobicContact CG-CG2 3.91Å; T56-I115 HydrophobicContact CG2-CB 4.03Å; T56-I115 HydrophobicContact CG2-CG2 4.21Å; I115-V250 HydrophobicContact CD1-CB 4.48Å; I115-V250 HydrophobicContact CG1-CB 3.89Å; I115-V250 HydrophobicContact CG1-CG2 4.48Å; I115-V250 PolarHBondContact N-O 3.43Å; I115-V250 PolarHBondContact O-N 3.19Å; I115-L260 HydrophobicContact CD1-CD1 3.95Å; I115-L260 HydrophobicContact CG1-CD1 3.95Å; I115-L263 HydrophobicContact CD1-CB 4.48Å; I115-V267 HydrophobicContact CD1-CB 3.95Å; I115-V267 HydrophobicContact CD1-CG1 4Å
116	F	98.4	Very high	97.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135.8	168.5	-70.1	-75.4	0	0	0	110.6	V39 F53 T56 A57 F60 Y62 L107 V109 V249	V39-F116 HydrophobicContact CG1-CZ 4.12Å; V39-F116 HydrophobicContact CG2-CZ 4.46Å; F53-F116 HydrophobicContact CD2-CD2 4.46Å; F53-F116 HydrophobicContact CD2-CE2 4.1Å; F53-F116 HydrophobicContact CE2-CD2 4.12Å; F53-F116 AromaticContact CE2-CE2 3.34Å; F53-F116 HydrophobicContact CE2-CE2 3.34Å; F53-F116 AromaticContact CE2-CZ 3.95Å; F53-F116 HydrophobicContact CE2-CZ 3.95Å; F53-F116 AromaticContact CZ-CE2 3.79Å; F53-F116 HydrophobicContact CZ-CE2 3.79Å; F53-F116 HydrophobicContact CZ-CZ 4.38Å; T56-F116 PolarHBondContact OG1-N 3.07Å; A57-F116 HydrophobicContact CB-CD2 3.83Å; A57-F116 HydrophobicContact CB-CE2 3.83Å; F60-F116 HydrophobicContact CD2-CB 3.73Å; F60-F116 HydrophobicContact CE2-CB 4.02Å; Y62-F116 HydrophobicContact CD2-CD1 4.13Å; Y62-F116 HydrophobicContact CD2-CD2 4.12Å; Y62-F116 HydrophobicContact CD2-CE1 4.31Å; Y62-F116 HydrophobicContact CD2-CE2 4.27Å; Y62-F116 HydrophobicContact CD2-CG 4.04Å; Y62-F116 HydrophobicContact CD2-CZ 4.38Å; Y62-F116 HydrophobicContact CE1-CE1 4.23Å; Y62-F116 HydrophobicContact CE2-CB 4.17Å; Y62-F116 AromaticContact CE2-CD1 3.51Å; Y62-F116 HydrophobicContact CE2-CD1 3.51Å; Y62-F116 HydrophobicContact CE2-CD2 4.27Å; Y62-F116 AromaticContact CE2-CE1 3.89Å; Y62-F116 HydrophobicContact CE2-CE1 3.89Å; Y62-F116 AromaticContact CE2-CG 3.72Å; Y62-F116 HydrophobicContact CE2-CG 3.72Å; Y62-F116 HydrophobicContact CE2-CZ 4.42Å; Y62-F116 HydrophobicContact CG-CZ 4.49Å; Y62-F116 AromaticContact CZ-CD1 3.77Å; Y62-F116 AromaticContact CZ-CE1 3.85Å; L107-F116 HydrophobicContact CD2-CE1 3.89Å; L107-F116 HydrophobicContact CD2-CZ 4.2Å; V109-F116 HydrophobicContact CG2-CZ 4.36Å; F116-V249 HydrophobicContact CD1-CG2 3.95Å; F116-V249 HydrophobicContact CE1-CG2 3.82Å
117	A	97.4	Very high	97.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-120	2.2	176.7	0	0	0	0	0	112.5	R237 V248 V250 V267	A117-R237 WeakPolarHBondContact O-CD 3.47Å; A117-R237 VanDerWaalsContact O-CZ 3.32Å; A117-R237 PolarHBondContact O-NE 3.07Å; A117-R237 PolarHBondContact O-NH2 3.15Å; A117-V248 PolarHBondContact N-O 2.63Å; A117-V250 HydrophobicContact CB-CG2 4.18Å; A117-V267 HydrophobicContact CB-CG1 3.68Å
118	G	96.8	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-157.2	169.4	175.3	0	0	0	0	0	110.5	F60 Y62 V248	F60-G118 WeakPolarHBondContact CD2-O 3.41Å; Y62-G118 WeakPolarHBondContact CE2-O 3.41Å; Y62-G118 PolarHBondContact OH-O 2.78Å; Y62-G118 VanDerWaalsContact OH-O 3.12Å; G118-V248 PolarHBondContact N-O 2.7Å; G118-V248 WeakPolarHBondContact O-CG1 3.49Å
119	G	96.8	Very high	96.9	Very high	12 Å²	12	30.1 Å²	30.1	12%	0.124	14%	0.142	C	C	.	.			trans	-101.5	176.7	-172.7	0	0	0	0	0	115.9	Y62 E121 E122 I123	Y62-G119 PolarHBondContact OH-O 3.22Å; G119-E121 VanDerWaalsContact C-N 3.34Å; G119-E121 PolarHBondContact O-N 3.17Å; G119-E122 PolarHBondContact O-N 2.9Å; G119-E122 VanDerWaalsContact O-N 3.16Å; G119-I123 PolarHBondContact O-N 2.75Å
120	P	97.6	Very high	96.7	Very high	14 Å²	14	31.7 Å²	31.7	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-51.4	-44.3	-176.9	-29.7	34.7	0	0	0	114.8	N34 L37 F60 Y62 E122 I123 L124	N34-P120 HydrophobicContact CB-CB 4.28Å; L37-P120 HydrophobicContact CD2-CB 4Å; F60-P120 VanDerWaalsContact O-CD 3.22Å; F60-P120 WeakPolarHBondContact O-CD 3.44Å; Y62-P120 HydrophobicContact CD1-CG 3.76Å; Y62-P120 HydrophobicContact CD2-CG 4.47Å; Y62-P120 HydrophobicContact CE1-CB 4.2Å; Y62-P120 HydrophobicContact CE1-CG 3.7Å; Y62-P120 HydrophobicContact CE2-CG 4.41Å; Y62-P120 HydrophobicContact CG-CG 4.16Å; P120-E122 VanDerWaalsContact C-N 3.34Å; P120-E122 PolarHBondContact O-N 2.79Å; P120-I123 WeakPolarHBondContact O-CG2 3.18Å; P120-I123 PolarHBondContact O-N 2.82Å; P120-L124 WeakPolarHBondContact O-CB 3.37Å; P120-L124 VanDerWaalsContact O-CG 3.3Å; P120-L124 WeakPolarHBondContact O-CG 3.42Å; P120-L124 PolarHBondContact O-N 2.84Å
121	E	96.9	Very high	96.7	Very high	143 Å²	143	36.8 Å²	36.8	67%	0.668	18%	0.182	S	C	*	.	H	α-helix	trans	-61.6	-42.7	-178.5	-172.7	-169.9	163.9	0	0	111.8	N34 G119 K125	N34-E121 WeakPolarHBondContact OD1-CA 3.35Å; N34-E121 PolarHBondContact OD1-N 3.02Å; G119-E121 VanDerWaalsContact C-N 3.34Å; G119-E121 PolarHBondContact O-N 3.17Å; E121-K125 VanDerWaalsContact O-CB 3.26Å; E121-K125 WeakPolarHBondContact O-CB 3.43Å; E121-K125 PolarHBondContact O-N 2.99Å
122	E	97	Very high	96.8	Very high	42 Å²	42	39.3 Å²	39.3	20%	0.196	19%	0.194	C	C	.	.	H	α-helix	trans	-68.7	-43.1	-178.5	-174.6	-177.1	150.7	0	0	111.5	G119 P120 K126 R237 V248	G119-E122 PolarHBondContact O-N 2.9Å; G119-E122 VanDerWaalsContact O-N 3.16Å; P120-E122 VanDerWaalsContact C-N 3.34Å; P120-E122 PolarHBondContact O-N 2.79Å; E122-K126 HydrophobicContact CG-CD 4.17Å; E122-K126 WeakPolarHBondContact O-CB 3.4Å; E122-K126 WeakPolarHBondContact O-CG 3.44Å; E122-K126 PolarHBondContact O-N 2.87Å; E122-K126 WeakPolarHBondContact OE1-CE 3.41Å; E122-K126 IonicContact OE1-NZ 3.41Å; E122-K126 PolarHBondContact OE1-NZ 3.01Å; E122-R237 VanDerWaalsContact CD-NH1 3.33Å; E122-R237 IonicContact OE1-CZ 3.72Å; E122-R237 IonicContact OE1-NH1 2.91Å; E122-R237 PolarHBondContact OE1-NH1 2.81Å; E122-R237 VanDerWaalsContact OE1-NH1 3.07Å; E122-R237 IonicContact OE1-NH2 3.85Å; E122-R237 PolarHBondContact OE1-NH2 2.96Å; E122-R237 IonicContact OE2-CZ 3.21Å; E122-R237 IonicContact OE2-NH1 2.7Å; E122-R237 PolarHBondContact OE2-NH1 2.85Å; E122-R237 IonicContact OE2-NH2 3.74Å; E122-R237 PolarHBondContact OE2-NH2 3.47Å; E122-V248 HydrophobicContact CB-CG2 4.42Å; E122-V248 HydrophobicContact CG-CG2 3.93Å; E122-V248 WeakPolarHBondContact OE1-CG2 3.23Å
123	I	97.8	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-41.6	-179.9	-171	157.5	0	0	0	111.6	L37 Y62 L107 G119 P120 K126 F127 I168 I216 V248 V249	L37-I123 HydrophobicContact CD2-CG2 3.8Å; Y62-I123 HydrophobicContact CE1-CG2 4.21Å; L107-I123 HydrophobicContact CD1-CD1 4.06Å; L107-I123 HydrophobicContact CD2-CD1 3.71Å; G119-I123 PolarHBondContact O-N 2.75Å; P120-I123 WeakPolarHBondContact O-CG2 3.18Å; P120-I123 PolarHBondContact O-N 2.82Å; I123-K126 PolarHBondContact O-N 2.97Å; I123-F127 WeakPolarHBondContact O-CB 3.39Å; I123-F127 PolarHBondContact O-N 3.48Å; I123-I168 HydrophobicContact CD1-CD1 4.24Å; I123-I168 HydrophobicContact CG1-CD1 3.79Å; I123-I216 HydrophobicContact CD1-CG2 3.54Å; I123-I216 HydrophobicContact CG1-CD1 4.48Å; I123-I216 HydrophobicContact CG1-CG2 3.72Å; I123-V248 HydrophobicContact CB-CB 4.4Å; I123-V248 HydrophobicContact CB-CG1 3.96Å; I123-V248 HydrophobicContact CB-CG2 4.35Å; I123-V248 HydrophobicContact CD1-CB 4.45Å; I123-V248 HydrophobicContact CD1-CG1 4.2Å; I123-V249 HydrophobicContact CD1-CG2 4.2Å
124	L	97.9	Very high	97.1	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-45.8	176.2	-73.3	172.1	0	0	0	111.1	I32 L37 V105 P120 K126 F127 Q128	I32-L124 HydrophobicContact CB-CD1 4.28Å; I32-L124 HydrophobicContact CB-CD2 4.24Å; I32-L124 HydrophobicContact CD1-CD2 4.41Å; I32-L124 HydrophobicContact CG2-CD1 4.08Å; I32-L124 HydrophobicContact CG2-CD2 3.95Å; L37-L124 HydrophobicContact CB-CD1 4.17Å; L37-L124 HydrophobicContact CB-CD2 4.23Å; L37-L124 HydrophobicContact CB-CG 4.43Å; L37-L124 HydrophobicContact CD1-CD2 4.22Å; L37-L124 HydrophobicContact CD2-CG 4.3Å; V105-L124 HydrophobicContact CB-CD2 4Å; V105-L124 HydrophobicContact CG1-CD2 4.06Å; V105-L124 HydrophobicContact CG2-CD2 4.01Å; P120-L124 WeakPolarHBondContact O-CB 3.37Å; P120-L124 VanDerWaalsContact O-CG 3.3Å; P120-L124 WeakPolarHBondContact O-CG 3.42Å; P120-L124 PolarHBondContact O-N 2.84Å; L124-K126 PolarHBondContact O-N 2.84Å; L124-F127 PolarHBondContact O-N 2.79Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 2.86Å
125	K	97.7	Very high	97.2	Very high	124 Å²	124	39.7 Å²	39.7	54%	0.539	20%	0.196	S	C	.	.	H	α-helix	trans	-57.1	-47.3	175.8	179.3	178.4	-179.8	175.6	0	111.9	E121 Q128 Q129	E121-K125 VanDerWaalsContact O-CB 3.26Å; E121-K125 WeakPolarHBondContact O-CB 3.43Å; E121-K125 PolarHBondContact O-N 2.99Å; K125-Q128 PolarHBondContact O-N 2.75Å; K125-Q129 WeakPolarHBondContact O-CB 3.47Å; K125-Q129 VanDerWaalsContact O-CG 3.25Å; K125-Q129 WeakPolarHBondContact O-CG 3.3Å; K125-Q129 PolarHBondContact O-N 2.84Å
126	K	98	Very high	97.2	Very high	28 Å²	28	39.7 Å²	39.7	12%	0.122	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-37.2	178.6	-75.1	173.9	169	174.8	0	112.4	E122 I123 L124 Q129 A130 Q215 I216 L246 V248	E122-K126 HydrophobicContact CG-CD 4.17Å; E122-K126 WeakPolarHBondContact O-CB 3.4Å; E122-K126 WeakPolarHBondContact O-CG 3.44Å; E122-K126 PolarHBondContact O-N 2.87Å; E122-K126 WeakPolarHBondContact OE1-CE 3.41Å; E122-K126 IonicContact OE1-NZ 3.41Å; E122-K126 PolarHBondContact OE1-NZ 3.01Å; I123-K126 PolarHBondContact O-N 2.97Å; L124-K126 PolarHBondContact O-N 2.84Å; K126-Q129 PolarHBondContact O-N 3.29Å; K126-A130 PolarHBondContact O-N 2.77Å; K126-Q215 VanDerWaalsContact CD-O 3.27Å; K126-Q215 WeakPolarHBondContact CD-O 3.36Å; K126-Q215 WeakPolarHBondContact CE-O 3.2Å; K126-Q215 PolarHBondContact NZ-O 2.72Å; K126-I216 HydrophobicContact CB-CD1 3.94Å; K126-I216 HydrophobicContact CB-CG1 3.63Å; K126-I216 HydrophobicContact CD-CG1 4.18Å; K126-L246 PolarHBondContact NZ-O 2.92Å; K126-V248 HydrophobicContact CD-CG2 4.06Å
127	F	97.9	Very high	97.2	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-44.1	175.3	174.9	-118.4	0	0	0	111.6	V105 I123 L124 Q129 A130 L135 I168 Y170 I216	V105-F127 HydrophobicContact CG1-CD1 4.1Å; V105-F127 HydrophobicContact CG1-CE1 4.06Å; V105-F127 HydrophobicContact CG2-CD1 4.42Å; V105-F127 HydrophobicContact CG2-CE1 4.16Å; I123-F127 WeakPolarHBondContact O-CB 3.39Å; I123-F127 PolarHBondContact O-N 3.48Å; L124-F127 PolarHBondContact O-N 2.79Å; F127-Q129 VanDerWaalsContact C-N 3.34Å; F127-Q129 PolarHBondContact O-N 3.23Å; F127-A130 WeakPolarHBondContact O-CB 3.3Å; F127-A130 PolarHBondContact O-N 2.9Å; F127-L135 HydrophobicContact CD2-CB 4.26Å; F127-L135 HydrophobicContact CE2-CB 4.23Å; F127-I168 HydrophobicContact CB-CD1 3.92Å; F127-I168 HydrophobicContact CD1-CD1 4.4Å; F127-I168 HydrophobicContact CD1-CG1 4.35Å; F127-I168 HydrophobicContact CD2-CB 4.43Å; F127-I168 HydrophobicContact CD2-CD1 4.4Å; F127-I168 HydrophobicContact CD2-CG1 4.07Å; F127-I168 HydrophobicContact CD2-CG2 3.66Å; F127-I168 HydrophobicContact CE2-CG1 4.41Å; F127-I168 HydrophobicContact CE2-CG2 4.14Å; F127-I168 HydrophobicContact CG-CD1 3.99Å; F127-I168 HydrophobicContact CG-CG1 4.04Å; F127-I168 HydrophobicContact CG-CG2 4.31Å; F127-Y170 HydrophobicContact CE1-CD2 4.1Å; F127-Y170 AromaticContact CE1-CE2 3.71Å; F127-Y170 HydrophobicContact CE1-CE2 3.71Å; F127-Y170 AromaticContact CE1-CZ 3.98Å; F127-Y170 HydrophobicContact CZ-CD2 4.01Å; F127-Y170 AromaticContact CZ-CE2 3.87Å; F127-Y170 HydrophobicContact CZ-CE2 3.87Å; F127-I216 HydrophobicContact CB-CD1 4.16Å
128	Q	95.8	Very high	97.3	Very high	36 Å²	36	39.7 Å²	39.7	17%	0.168	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-41.5	173.8	-70.2	-175.3	-72.9	0	0	112.1	A30 I32 L124 K125 A130 N131	A30-Q128 PolarHBondContact O-NE2 3.45Å; I32-Q128 HydrophobicContact CD1-CG 3.55Å; I32-Q128 HydrophobicContact CG1-CG 4.09Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 2.86Å; K125-Q128 PolarHBondContact O-N 2.75Å; Q128-A130 VanDerWaalsContact C-N 3.26Å; Q128-A130 PolarHBondContact O-N 3.35Å; Q128-N131 PolarHBondContact O-N 3.49Å
129	Q	96.1	Very high	97.2	Very high	134 Å²	134	40 Å²	40	63%	0.626	20%	0.198	S	C	*	.	H	α-helix	trans	-63.8	-29.9	176.7	-74.9	174.3	-13.3	0	0	113.1	K125 K126 F127 N131	K125-Q129 WeakPolarHBondContact O-CB 3.47Å; K125-Q129 VanDerWaalsContact O-CG 3.25Å; K125-Q129 WeakPolarHBondContact O-CG 3.3Å; K125-Q129 PolarHBondContact O-N 2.84Å; K126-Q129 PolarHBondContact O-N 3.29Å; F127-Q129 VanDerWaalsContact C-N 3.34Å; F127-Q129 PolarHBondContact O-N 3.23Å; Q129-N131 PolarHBondContact O-N 3.4Å
130	A	95	Very high	96.9	Very high	32 Å²	32	41.2 Å²	41.2	26%	0.264	21%	0.21	S	C	.	.	H	α-helix	trans	-65.9	-24	173.9	0	0	0	0	0	112.2	K126 F127 Q128 H132 L135	K126-A130 PolarHBondContact O-N 2.77Å; F127-A130 WeakPolarHBondContact O-CB 3.3Å; F127-A130 PolarHBondContact O-N 2.9Å; Q128-A130 VanDerWaalsContact C-N 3.26Å; Q128-A130 PolarHBondContact O-N 3.35Å; A130-H132 PolarHBondContact O-CE1 3.32Å; A130-H132 PolarHBondContact O-N 3.45Å; A130-H132 PolarHBondContact O-ND1 3.33Å; A130-L135 HydrophobicContact CB-CD1 3.44Å; A130-L135 VanDerWaalsContact CB-CD1 3.44Å
131	N	95.6	Very high	96.6	Very high	132 Å²	132	43.3 Å²	43.3	71%	0.706	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	41.3	176.8	-166.5	36.9	0	0	0	114.5	Q128 Q129	Q128-N131 PolarHBondContact O-N 3.49Å; Q129-N131 PolarHBondContact O-N 3.4Å
132	H	96.7	Very high	96.4	Very high	56 Å²	56	37.6 Å²	37.6	26%	0.259	20%	0.196	S	C	.	.			trans	-128.3	164.9	176.1	-71.8	80.5	0	0	0	110.6	A130 N207 T209	A130-H132 PolarHBondContact O-CE1 3.32Å; A130-H132 PolarHBondContact O-N 3.45Å; A130-H132 PolarHBondContact O-ND1 3.33Å; H132-N207 PolarHBondContact CD2-OD1 3.29Å; H132-T209 HydrophobicContact CB-CG2 3.67Å; H132-T209 VanDerWaalsContact CD2-CB 3.47Å; H132-T209 WeakPolarHBondContact CD2-CB 3.48Å; H132-T209 WeakPolarHBondContact ND1-CG2 3.5Å
133	K	97.4	Very high	96.2	Very high	72 Å²	72	40.4 Å²	40.4	31%	0.313	21%	0.205	S	C	.	.	S	Bend	trans	-89.6	-29	-179.8	-61.7	-62.4	-174.9	-179.2	0	112.7	G169 Y170 Y173 N207	K133-G169 WeakPolarHBondContact O-CA 3.44Å; K133-Y170 HydrophobicContact CB-CD2 4.39Å; K133-Y170 HydrophobicContact CD-CD2 3.72Å; K133-Y170 HydrophobicContact CD-CE2 3.9Å; K133-Y170 PolarHBondContact O-N 3.27Å; K133-Y173 HydrophobicContact CB-CD1 3.74Å; K133-Y173 HydrophobicContact CB-CD2 4.07Å; K133-Y173 HydrophobicContact CB-CE1 3.91Å; K133-Y173 HydrophobicContact CB-CE2 4.21Å; K133-Y173 HydrophobicContact CB-CG 3.82Å; K133-Y173 HydrophobicContact CD-CD2 4.45Å; K133-Y173 HydrophobicContact CD-CE1 4.49Å; K133-Y173 HydrophobicContact CD-CE2 3.89Å; K133-Y173 HydrophobicContact CG-CD1 4.16Å; K133-Y173 HydrophobicContact CG-CD2 4.42Å; K133-Y173 HydrophobicContact CG-CE1 3.79Å; K133-Y173 HydrophobicContact CG-CE2 4.05Å; K133-Y173 HydrophobicContact CG-CG 4.46Å; K133-N207 HydrophobicContact CB-CB 4.07Å; K133-N207 HydrophobicContact CG-CB 3.81Å; K133-N207 PolarHBondContact N-O 3.21Å
134	V	98.2	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.9	172.8	-176.7	0	0	0	0	108.5	F136 I167 I168 N207 M208 T209	V134-F136 HydrophobicContact CG1-CD2 4.15Å; V134-F136 HydrophobicContact CG1-CE2 3.68Å; V134-F136 HydrophobicContact CG1-CZ 4.25Å; V134-I167 HydrophobicContact CG1-CG2 3.87Å; V134-I168 CarbonylContact C-O 3.57Å; V134-I168 WeakPolarHBondContact CA-O 3.26Å; V134-N207 PolarHBondContact N-O 3.23Å; V134-M208 HydrophobicContact CB-CG 4.16Å; V134-M208 VanDerWaalsContact O-CA 3.3Å; V134-M208 WeakPolarHBondContact O-CA 3.24Å; V134-T209 PolarHBondContact O-N 3.23Å
135	L	98.6	Very high	95.6	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.1	178.4	177.4	149.7	0	0	0	109	F127 A130 I168 T209 D211 I216 F217	F127-L135 HydrophobicContact CD2-CB 4.26Å; F127-L135 HydrophobicContact CE2-CB 4.23Å; A130-L135 HydrophobicContact CB-CD1 3.44Å; A130-L135 VanDerWaalsContact CB-CD1 3.44Å; L135-I168 HydrophobicContact CB-CG2 3.97Å; L135-I168 HydrophobicContact CD2-CG2 3.76Å; L135-I168 HydrophobicContact CG-CG2 4.47Å; L135-I168 PolarHBondContact N-O 3.31Å; L135-I168 PolarHBondContact O-N 2.98Å; L135-T209 WeakPolarHBondContact CA-O 3.26Å; L135-T209 HydrophobicContact CB-CG2 3.99Å; L135-T209 HydrophobicContact CD1-CG2 3.74Å; L135-T209 HydrophobicContact CG-CG2 3.91Å; L135-D211 HydrophobicContact CD2-CB 3.89Å; L135-D211 HydrophobicContact CG-CB 4.5Å; L135-I216 HydrophobicContact CD2-CD1 4.14Å; L135-F217 HydrophobicContact CD2-CD2 3.91Å; L135-F217 HydrophobicContact CD2-CE2 3.57Å
136	F	98.8	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	153.6	176	-70.8	-96.9	0	0	0	111	V134 L162 I167 L177 Y193 M208 T209 L210 D211	V134-F136 HydrophobicContact CG1-CD2 4.15Å; V134-F136 HydrophobicContact CG1-CE2 3.68Å; V134-F136 HydrophobicContact CG1-CZ 4.25Å; F136-L162 HydrophobicContact CB-CD1 4.08Å; F136-L162 HydrophobicContact CB-CG 3.99Å; F136-L162 HydrophobicContact CD1-CD1 3.71Å; F136-L162 HydrophobicContact CD1-CD2 4.12Å; F136-L162 HydrophobicContact CD1-CG 3.93Å; F136-L162 HydrophobicContact CD2-CD1 3.94Å; F136-L162 HydrophobicContact CE1-CD1 4.05Å; F136-L162 HydrophobicContact CE2-CD1 4.27Å; F136-L162 HydrophobicContact CG-CD1 3.64Å; F136-L162 HydrophobicContact CG-CG 3.99Å; F136-L162 HydrophobicContact CZ-CD1 4.31Å; F136-I167 HydrophobicContact CD1-CB 4.39Å; F136-I167 HydrophobicContact CD1-CD1 4.12Å; F136-I167 HydrophobicContact CD1-CG1 3.68Å; F136-I167 HydrophobicContact CD1-CG2 4.18Å; F136-I167 HydrophobicContact CE1-CB 4.42Å; F136-I167 HydrophobicContact CE1-CD1 3.58Å; F136-I167 HydrophobicContact CE1-CG1 3.67Å; F136-I167 HydrophobicContact CE1-CG2 3.97Å; F136-I167 HydrophobicContact CZ-CD1 4.46Å; F136-I167 HydrophobicContact CZ-CG2 4.22Å; F136-L177 HydrophobicContact CE1-CD2 4.35Å; F136-L177 HydrophobicContact CZ-CD1 4.02Å; F136-L177 HydrophobicContact CZ-CD2 3.68Å; F136-Y193 AromaticContact CE1-CD1 3.93Å; F136-Y193 HydrophobicContact CE1-CD1 3.93Å; F136-Y193 HydrophobicContact CE1-CD2 4.49Å; F136-Y193 AromaticContact CE1-CG 3.86Å; F136-Y193 HydrophobicContact CE1-CG 3.86Å; F136-Y193 HydrophobicContact CZ-CD1 4.08Å; F136-Y193 HydrophobicContact CZ-CG 4.38Å; F136-M208 HydrophobicContact CE2-SD 3.98Å; F136-T209 PolarHBondContact N-O 2.96Å; F136-L210 HydrophobicContact CB-CD2 3.78Å; F136-L210 HydrophobicContact CG-CD2 4.47Å; F136-L210 CarbonylContact O-C 3.57Å; F136-L210 WeakPolarHBondContact O-CA 3.49Å; F136-D211 PolarHBondContact O-N 2.97Å
137	A	98.4	Very high	95.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	145.3	163.6	0	0	0	0	0	110.2	N163 G166 F217	A137-N163 HydrophobicContact CB-CB 4.18Å; A137-N163 PolarHBondContact O-N 3.17Å; A137-G166 PolarHBondContact N-O 3Å; A137-F217 HydrophobicContact CB-CB 3.57Å; A137-F217 HydrophobicContact CB-CD1 4.16Å; A137-F217 HydrophobicContact CB-CD2 3.93Å; A137-F217 HydrophobicContact CB-CG 3.64Å
138	A	97.9	Very high	95.1	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.6	177.8	0	0	0	0	0	111.1	K159 Y161 L210 D211 N219	A138-K159 HydrophobicContact CB-CB 3.67Å; A138-Y161 CarbonylContact C-O 3.56Å; A138-Y161 VanDerWaalsContact CA-O 3.25Å; A138-Y161 WeakPolarHBondContact CA-O 3.49Å; A138-L210 HydrophobicContact CB-CB 3.95Å; A138-D211 WeakPolarHBondContact CB-O 3.38Å; A138-N219 PolarHBondContact O-ND2 2.67Å
139	E	94.5	Very high	95.1	Very high	7 Å²	7	53.8 Å²	53.8	3%	0.033	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.1	176.1	66.4	171.4	98.9	0	0	113	V141 R160 Y161 N163 Q190 N219	E139-V141 VanDerWaalsContact CD-O 3.27Å; E139-V141 VanDerWaalsContact CG-O 3.28Å; E139-V141 WeakPolarHBondContact CG-O 3.2Å; E139-R160 PolarHBondContact O-N 3.03Å; E139-Y161 PolarHBondContact N-O 3.45Å; E139-Y161 PolarHBondContact O-N 3.38Å; E139-N163 HydrophobicContact CB-CB 4.33Å; E139-N163 HydrophobicContact CG-CB 4.13Å; E139-N163 WeakPolarHBondContact OE1-CB 3.37Å; E139-N163 PolarHBondContact OE1-ND2 3.03Å; E139-Q190 PolarHBondContact OE1-NE2 3.4Å; E139-N219 HydrophobicContact CB-CB 4.28Å
140	G	91.3	Very high	95.1	Very high	37 Å²	37	54.3 Å²	54.3	38%	0.381	27%	0.273	S	S	.	.	S	Bend	trans	-84.2	-16.4	-179.2	0	0	0	0	0	113.8	Y161	G140-Y161 WeakPolarHBondContact O-CE2 3.39Å
141	V	91.3	Very high	95.1	Very high	57 Å²	57	59.4 Å²	59.4	35%	0.345	29%	0.29	S	S	.	.	S	Bend	trans	-106.5	132.4	-175.3	-179.9	0	0	0	0	109	E139	E139-V141 VanDerWaalsContact CD-O 3.27Å; E139-V141 VanDerWaalsContact CG-O 3.28Å; E139-V141 WeakPolarHBondContact CG-O 3.2Å
142	I	93.7	Very high	95.2	Very high	23 Å²	23	53.4 Å²	53.4	12%	0.118	26%	0.257	C	S	.	.			trans	-85.4	124.7	173	-178.4	165.2	0	0	0	110	D145 K146 L148 A149 Y152 Y161	I142-D145 WeakPolarHBondContact CD1-O 3.28Å; I142-K146 HydrophobicContact CG2-CB 4.27Å; I142-K146 HydrophobicContact CG2-CG 4.12Å; I142-L148 HydrophobicContact CD1-CB 4.2Å; I142-A149 HydrophobicContact CD1-CB 3.68Å; I142-Y152 HydrophobicContact CD1-CD2 4.44Å; I142-Y152 HydrophobicContact CD1-CE2 4.23Å; I142-Y161 HydrophobicContact CB-CD1 3.93Å; I142-Y161 HydrophobicContact CB-CD2 3.84Å; I142-Y161 HydrophobicContact CB-CE1 4.03Å; I142-Y161 HydrophobicContact CB-CE2 3.93Å; I142-Y161 HydrophobicContact CB-CG 3.82Å; I142-Y161 HydrophobicContact CD1-CD1 4.11Å; I142-Y161 HydrophobicContact CD1-CE1 4.1Å; I142-Y161 HydrophobicContact CG1-CD1 4.23Å; I142-Y161 HydrophobicContact CG1-CG 4.42Å; I142-Y161 HydrophobicContact CG2-CE2 4.38Å
143	W	91.3	Very high	95.1	Very high	102 Å²	102	52.8 Å²	52.8	39%	0.386	26%	0.258	S	S	.	.			trans	-149.1	147	179.1	-170.6	92.4	0	0	0	110.8	I82 D188 Q190	I82-W143 HydrophobicContact CG2-CH2 4.1Å; I82-W143 HydrophobicContact CG2-CZ2 4.05Å; W143-D188 WeakPolarHBondContact CH2-OD2 3.32Å; W143-D188 WeakPolarHBondContact CZ3-OD1 3.45Å; W143-D188 WeakPolarHBondContact CZ3-OD2 3.19Å; W143-Q190 HydrophobicContact CE3-CB 4.09Å; W143-Q190 HydrophobicContact CE3-CG 4.25Å; W143-Q190 HydrophobicContact CZ3-CB 3.93Å; W143-Q190 PolarHBondContact O-NE2 2.82Å
144	P	90.5	Very high	94.9	Very high	34 Å²	34	56.7 Å²	56.7	22%	0.221	28%	0.282	C	S	.	.	S	Bend	cis	-83.8	-25	-4.2	31.7	-34	0	0	0	114.1	I82 D188 L191	I82-P144 HydrophobicContact CG2-CB 3.67Å; I82-P144 HydrophobicContact CG2-CG 4Å; P144-D188 WeakPolarHBondContact CD-OD1 3.32Å; P144-D188 WeakPolarHBondContact CG-OD1 3.21Å; P144-L191 HydrophobicContact CG-CB 3.89Å; P144-L191 HydrophobicContact CG-CD1 4.24Å; P144-L191 HydrophobicContact CG-CD2 4.36Å; P144-L191 HydrophobicContact CG-CG 4.38Å
145	D	92.4	Very high	94.6	Very high	36 Å²	36	58.8 Å²	58.8	19%	0.193	29%	0.294	C	S	.	.			trans	-100.8	102.1	-173.6	-169.3	-9.2	0	0	0	112.9	I142 R147 L148 L191	I142-D145 WeakPolarHBondContact CD1-O 3.28Å; D145-R147 PolarHBondContact O-N 2.9Å; D145-R147 VanDerWaalsContact O-N 3.14Å; D145-R147 VanDerWaalsContact OD1-CB 3.26Å; D145-R147 WeakPolarHBondContact OD1-CB 3.44Å; D145-R147 WeakPolarHBondContact OD1-CG 3.3Å; D145-R147 IonicContact OD1-CZ 2.71Å; D145-R147 PolarHBondContact OD1-N 2.83Å; D145-R147 IonicContact OD1-NE 2.75Å; D145-R147 PolarHBondContact OD1-NE 3.32Å; D145-R147 IonicContact OD1-NH2 3.29Å; D145-R147 IonicContact OD2-CZ 2.95Å; D145-R147 IonicContact OD2-NE 3.62Å; D145-R147 PolarHBondContact OD2-NE 3.22Å; D145-R147 IonicContact OD2-NH2 3.85Å; D145-R147 PolarHBondContact OD2-NH2 3.09Å; D145-L148 HydrophobicContact CB-CD1 3.96Å; D145-L148 HydrophobicContact CB-CG 4.07Å; D145-L148 WeakPolarHBondContact O-CB 3.16Å; D145-L148 PolarHBondContact O-N 2.89Å; D145-L148 VanDerWaalsContact O-N 3.16Å; D145-L191 HydrophobicContact CB-CD1 4.38Å
146	K	93.4	Very high	94	Very high	162 Å²	162	71.1 Å²	71.1	70%	0.704	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24.2	179	-60	-171.4	177.2	179.1	0	113.8	I142 L148 A149	I142-K146 HydrophobicContact CG2-CB 4.27Å; I142-K146 HydrophobicContact CG2-CG 4.12Å; K146-L148 PolarHBondContact O-N 2.88Å; K146-A149 WeakPolarHBondContact O-CB 3.28Å; K146-A149 PolarHBondContact O-N 3.4Å
147	R	95.7	Very high	93.6	Very high	201 Å²	201	74.3 Å²	74.3	76%	0.758	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14	-179.4	-58.3	170.4	-65.5	-176.6	2.7	112.7	D145 A149	D145-R147 PolarHBondContact O-N 2.9Å; D145-R147 VanDerWaalsContact O-N 3.14Å; D145-R147 VanDerWaalsContact OD1-CB 3.26Å; D145-R147 WeakPolarHBondContact OD1-CB 3.44Å; D145-R147 WeakPolarHBondContact OD1-CG 3.3Å; D145-R147 IonicContact OD1-CZ 2.71Å; D145-R147 PolarHBondContact OD1-N 2.83Å; D145-R147 IonicContact OD1-NE 2.75Å; D145-R147 PolarHBondContact OD1-NE 3.32Å; D145-R147 IonicContact OD1-NH2 3.29Å; D145-R147 IonicContact OD2-CZ 2.95Å; D145-R147 IonicContact OD2-NE 3.62Å; D145-R147 PolarHBondContact OD2-NE 3.22Å; D145-R147 IonicContact OD2-NH2 3.85Å; D145-R147 PolarHBondContact OD2-NH2 3.09Å; R147-A149 VanDerWaalsContact C-N 3.3Å
148	L	95.6	Very high	93.4	Very high	22 Å²	22	75.2 Å²	75.2	12%	0.115	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-82.8	-6.1	178.4	-60	178.5	0	0	0	113	I142 D145 K146 D150 K151 Y152 L191 T194 L198	I142-L148 HydrophobicContact CD1-CB 4.2Å; D145-L148 HydrophobicContact CB-CD1 3.96Å; D145-L148 HydrophobicContact CB-CG 4.07Å; D145-L148 WeakPolarHBondContact O-CB 3.16Å; D145-L148 PolarHBondContact O-N 2.89Å; D145-L148 VanDerWaalsContact O-N 3.16Å; K146-L148 PolarHBondContact O-N 2.88Å; L148-D150 VanDerWaalsContact C-N 3.31Å; L148-D150 PolarHBondContact O-N 3.35Å; L148-K151 HydrophobicContact CD2-CD 4.07Å; L148-K151 WeakPolarHBondContact O-CB 3.45Å; L148-K151 PolarHBondContact O-N 3.44Å; L148-Y152 WeakPolarHBondContact O-CD2 3.39Å; L148-L191 HydrophobicContact CD1-CD1 3.87Å; L148-T194 HydrophobicContact CD1-CG2 3.78Å; L148-L198 HydrophobicContact CB-CD1 3.79Å; L148-L198 HydrophobicContact CD1-CD1 4.12Å; L148-L198 HydrophobicContact CD2-CD1 4.23Å; L148-L198 HydrophobicContact CG-CD1 4.27Å
149	A	95.1	Very high	93.3	Very high	16 Å²	16	75.9 Å²	75.9	13%	0.132	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-55.3	-43.1	-174.2	0	0	0	0	0	113.2	I142 K146 R147 K151 Y152 R160 Y161	I142-A149 HydrophobicContact CD1-CB 3.68Å; K146-A149 WeakPolarHBondContact O-CB 3.28Å; K146-A149 PolarHBondContact O-N 3.4Å; R147-A149 VanDerWaalsContact C-N 3.3Å; A149-K151 PolarHBondContact O-N 3.26Å; A149-Y152 PolarHBondContact O-N 3.5Å; A149-R160 PolarHBondContact O-NH2 3.18Å; A149-R160 VanDerWaalsContact O-NH2 3.15Å; A149-Y161 HydrophobicContact CB-CE1 4.21Å
150	D	95.1	Very high	93.4	Very high	145 Å²	145	77.8 Å²	77.8	78%	0.775	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-73	-18.8	-177	-61.8	-32.1	0	0	0	113	L148	L148-D150 VanDerWaalsContact C-N 3.31Å; L148-D150 PolarHBondContact O-N 3.35Å
151	K	96.3	Very high	93.7	Very high	139 Å²	139	77.9 Å²	77.9	60%	0.604	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-79.2	-21.1	176.6	-60.6	-172.2	179.2	-176.7	0	112.6	L148 A149 L198	L148-K151 HydrophobicContact CD2-CD 4.07Å; L148-K151 WeakPolarHBondContact O-CB 3.45Å; L148-K151 PolarHBondContact O-N 3.44Å; A149-K151 PolarHBondContact O-N 3.26Å; K151-L198 HydrophobicContact CB-CD1 4.09Å; K151-L198 HydrophobicContact CB-CD2 3.92Å; K151-L198 HydrophobicContact CB-CG 4.46Å; K151-L198 WeakPolarHBondContact O-CD2 3.39Å
152	Y	97.4	Very high	94.1	Very high	6 Å²	6	75.2 Å²	75.2	2%	0.024	36%	0.355	C	S	.	.	S	Bend	trans	-66.9	141.7	176.2	-85.3	-92.5	0	0	0	110.5	I142 L148 A149 R160 Y161 L162 T194 Y197 L198 L210	I142-Y152 HydrophobicContact CD1-CD2 4.44Å; I142-Y152 HydrophobicContact CD1-CE2 4.23Å; L148-Y152 WeakPolarHBondContact O-CD2 3.39Å; A149-Y152 PolarHBondContact O-N 3.5Å; Y152-R160 VanDerWaalsContact CD1-O 3.26Å; Y152-R160 WeakPolarHBondContact CD1-O 3.46Å; Y152-R160 PolarHBondContact O-NH2 3.48Å; Y152-Y161 HydrophobicContact CD1-CD1 4.27Å; Y152-Y161 AromaticContact CD2-CD1 3.73Å; Y152-Y161 HydrophobicContact CD2-CD1 3.73Å; Y152-Y161 HydrophobicContact CD2-CE1 4.18Å; Y152-Y161 HydrophobicContact CE1-CD1 4.46Å; Y152-Y161 AromaticContact CE2-CD1 3.95Å; Y152-Y161 HydrophobicContact CE2-CD1 3.95Å; Y152-Y161 AromaticContact CG-CD1 3.9Å; Y152-Y161 HydrophobicContact CG-CD1 3.9Å; Y152-Y161 HydrophobicContact CG-CE1 4.36Å; Y152-L162 HydrophobicContact CE1-CB 4.24Å; Y152-L162 WeakPolarHBondContact OH-CB 3.49Å; Y152-L162 PolarHBondContact OH-N 3.42Å; Y152-T194 HydrophobicContact CE2-CG2 4.06Å; Y152-T194 VanDerWaalsContact OH-CG2 3.26Å; Y152-T194 WeakPolarHBondContact OH-CG2 3.16Å; Y152-T194 PolarHBondContact OH-OG1 2.89Å; Y152-Y197 HydrophobicContact CD1-CD1 4.17Å; Y152-Y197 AromaticContact CD1-CE1 3.9Å; Y152-Y197 HydrophobicContact CD1-CE1 3.9Å; Y152-Y197 AromaticContact CE1-CD1 3.79Å; Y152-Y197 HydrophobicContact CE1-CD1 3.79Å; Y152-Y197 AromaticContact CE1-CE1 3.91Å; Y152-Y197 HydrophobicContact CE1-CE1 3.91Å; Y152-L198 HydrophobicContact CD1-CD2 4.03Å; Y152-L198 HydrophobicContact CD2-CD1 4.3Å; Y152-L198 HydrophobicContact CD2-CD2 3.66Å; Y152-L198 HydrophobicContact CD2-CG 4.44Å; Y152-L198 HydrophobicContact CE1-CD2 4.24Å; Y152-L198 HydrophobicContact CE2-CD1 3.98Å; Y152-L198 HydrophobicContact CE2-CD2 3.9Å; Y152-L198 HydrophobicContact CE2-CG 4.23Å; Y152-L198 HydrophobicContact CG-CD2 3.73Å; Y152-L210 HydrophobicContact CD1-CD1 4.46Å; Y152-L210 HydrophobicContact CE1-CD1 4.22Å
153	P	95.1	Very high	94.3	Very high	43 Å²	43	74.4 Å²	74.4	28%	0.279	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-52.2	144.2	169.6	-26.1	35.7	0	0	0	111.7	R160	P153-R160 PolarHBondContact O-NE 3.08Å; P153-R160 VanDerWaalsContact O-NE 3.08Å
154	L	93.4	Very high	94.5	Very high	155 Å²	155	69.8 Å²	69.8	81%	0.812	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-72.5	129.4	172.2	-70.2	171.9	0	0	0	109.2
155	V	91.4	Very high	94.8	Very high	43 Å²	43	68.3 Å²	68.3	26%	0.261	32%	0.324	S	S	.	.			trans	-111.4	128.9	175.7	-66.2	0	0	0	0	108.9	S157 R160	V155-S157 VanDerWaalsContact C-N 3.3Å; V155-S157 PolarHBondContact O-N 3.22Å; V155-R160 HydrophobicContact CG2-CB 3.73Å; V155-R160 HydrophobicContact CG2-CG 3.91Å
156	R	86.1	Confident	95	Very high	265 Å²	265	66.6 Å²	66.6	100%	1	32%	0.315	S	S	*	.	S	Bend	trans	-67.9	-32.9	179.6	-70.7	-175.4	177.6	-179.1	-0.5	112.5
157	S	89.3	Confident	95.3	Very high	67 Å²	67	59 Å²	59	47%	0.469	28%	0.282	S	S	.	.	S	Bend	trans	-157.5	135.8	-177.7	172.1	0	0	0	0	108.2	V155	V155-S157 VanDerWaalsContact C-N 3.3Å; V155-S157 PolarHBondContact O-N 3.22Å
158	G	94	Very high	95.4	Very high	19 Å²	19	49.4 Å²	49.4	20%	0.196	25%	0.246	C	C	.	.	S	Bend	trans	115.8	173.3	-178.6	0	0	0	0	0	114.1	H212 Y243	G158-H212 CarbonylContact C-O 3.5Å; G158-H212 WeakPolarHBondContact CA-O 3.3Å; G158-Y243 WeakPolarHBondContact CA-OH 3.36Å
159	K	96.9	Very high	95.5	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.065	24%	0.24	C	C	.	.			trans	-69.4	133.7	175.3	-56.8	-53.1	-175.7	-178.7	0	110.2	A138 H212 E226	A138-K159 HydrophobicContact CB-CB 3.67Å; K159-H212 PolarHBondContact N-O 3.44Å; K159-H212 PolarHBondContact O-ND1 3.29Å; K159-E226 WeakPolarHBondContact CE-OE2 3.38Å; K159-E226 IonicContact NZ-OE1 3.09Å; K159-E226 PolarHBondContact NZ-OE1 3.49Å; K159-E226 IonicContact NZ-OE2 3.64Å; K159-E226 PolarHBondContact NZ-OE2 3.14Å
160	R	96.8	Very high	95.7	Very high	47 Å²	47	49.6 Å²	49.6	18%	0.177	24%	0.242	C	C	.	.			trans	-97.1	-28.5	-168.9	-172.9	174.5	-179.4	-158.8	-3.9	114	E139 A149 Y152 P153 V155 L210	E139-R160 PolarHBondContact O-N 3.03Å; A149-R160 PolarHBondContact O-NH2 3.18Å; A149-R160 VanDerWaalsContact O-NH2 3.15Å; Y152-R160 VanDerWaalsContact CD1-O 3.26Å; Y152-R160 WeakPolarHBondContact CD1-O 3.46Å; Y152-R160 PolarHBondContact O-NH2 3.48Å; P153-R160 PolarHBondContact O-NE 3.08Å; P153-R160 VanDerWaalsContact O-NE 3.08Å; V155-R160 HydrophobicContact CG2-CB 3.73Å; V155-R160 HydrophobicContact CG2-CG 3.91Å; R160-L210 VanDerWaalsContact O-CD1 3.31Å; R160-L210 WeakPolarHBondContact O-CD1 3.25Å
161	Y	97.9	Very high	95.8	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.153	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	150.3	-166.4	-49.3	-61.3	0	0	0	111.4	A138 E139 G140 I142 A149 Y152	A138-Y161 CarbonylContact C-O 3.56Å; A138-Y161 VanDerWaalsContact CA-O 3.25Å; A138-Y161 WeakPolarHBondContact CA-O 3.49Å; E139-Y161 PolarHBondContact N-O 3.45Å; E139-Y161 PolarHBondContact O-N 3.38Å; G140-Y161 WeakPolarHBondContact O-CE2 3.39Å; I142-Y161 HydrophobicContact CB-CD1 3.93Å; I142-Y161 HydrophobicContact CB-CD2 3.84Å; I142-Y161 HydrophobicContact CB-CE1 4.03Å; I142-Y161 HydrophobicContact CB-CE2 3.93Å; I142-Y161 HydrophobicContact CB-CG 3.82Å; I142-Y161 HydrophobicContact CD1-CD1 4.11Å; I142-Y161 HydrophobicContact CD1-CE1 4.1Å; I142-Y161 HydrophobicContact CG1-CD1 4.23Å; I142-Y161 HydrophobicContact CG1-CG 4.42Å; I142-Y161 HydrophobicContact CG2-CE2 4.38Å; A149-Y161 HydrophobicContact CB-CE1 4.21Å; Y152-Y161 HydrophobicContact CD1-CD1 4.27Å; Y152-Y161 AromaticContact CD2-CD1 3.73Å; Y152-Y161 HydrophobicContact CD2-CD1 3.73Å; Y152-Y161 HydrophobicContact CD2-CE1 4.18Å; Y152-Y161 HydrophobicContact CE1-CD1 4.46Å; Y152-Y161 AromaticContact CE2-CD1 3.95Å; Y152-Y161 HydrophobicContact CE2-CD1 3.95Å; Y152-Y161 AromaticContact CG-CD1 3.9Å; Y152-Y161 HydrophobicContact CG-CD1 3.9Å; Y152-Y161 HydrophobicContact CG-CE1 4.36Å
162	L	98.2	Very high	95.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.2	-179.9	-179	153	0	0	0	110.4	F136 Y152 Q190 Y197 L210	F136-L162 HydrophobicContact CB-CD1 4.08Å; F136-L162 HydrophobicContact CB-CG 3.99Å; F136-L162 HydrophobicContact CD1-CD1 3.71Å; F136-L162 HydrophobicContact CD1-CD2 4.12Å; F136-L162 HydrophobicContact CD1-CG 3.93Å; F136-L162 HydrophobicContact CD2-CD1 3.94Å; F136-L162 HydrophobicContact CE1-CD1 4.05Å; F136-L162 HydrophobicContact CE2-CD1 4.27Å; F136-L162 HydrophobicContact CG-CD1 3.64Å; F136-L162 HydrophobicContact CG-CG 3.99Å; F136-L162 HydrophobicContact CZ-CD1 4.31Å; Y152-L162 HydrophobicContact CE1-CB 4.24Å; Y152-L162 WeakPolarHBondContact OH-CB 3.49Å; Y152-L162 PolarHBondContact OH-N 3.42Å; L162-Q190 HydrophobicContact CD2-CG 4.41Å; L162-Q190 PolarHBondContact O-NE2 3.34Å; L162-Y197 HydrophobicContact CD1-CG 4.08Å; L162-L210 HydrophobicContact CB-CD1 4.4Å; L162-L210 HydrophobicContact CB-CD2 3.9Å; L162-L210 HydrophobicContact CD1-CD2 3.98Å; L162-L210 HydrophobicContact CG-CD2 4.08Å
163	N	97.9	Very high	95.8	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.8	166	-177.3	-86.5	0	0	0	109.6	A137 E139 G165 Q190 N219 H251 N253	A137-N163 HydrophobicContact CB-CB 4.18Å; A137-N163 PolarHBondContact O-N 3.17Å; E139-N163 HydrophobicContact CB-CB 4.33Å; E139-N163 HydrophobicContact CG-CB 4.13Å; E139-N163 WeakPolarHBondContact OE1-CB 3.37Å; E139-N163 PolarHBondContact OE1-ND2 3.03Å; N163-G165 WeakPolarHBondContact OD1-CA 3.34Å; N163-G165 PolarHBondContact OD1-N 3.42Å; N163-Q190 PolarHBondContact ND2-OE1 2.8Å; N163-N219 WeakPolarHBondContact CB-ND2 3.21Å; N163-N219 PolarHBondContact OD1-OD1 3.11Å; N163-H251 PolarHBondContact OD1-ND1 3.14Å; N163-N253 PolarHBondContact ND2-ND2 3.29Å
164	S	96.9	Very high	95.9	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-11.7	-176.7	58.1	0	0	0	0	114.8	G166 D189	S164-G166 PolarHBondContact O-N 3.05Å; S164-G166 VanDerWaalsContact O-N 3.13Å; S164-D189 PolarHBondContact OG-OD2 2.91Å
165	G	95.6	Very high	96.1	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-1.1	-178.2	0	0	0	0	0	114.6	V109 D110 N163	V109-G165 WeakPolarHBondContact CA-O 3.38Å; D110-G165 PolarHBondContact N-O 3.36Å; D110-G165 VanDerWaalsContact N-O 3.15Å; N163-G165 WeakPolarHBondContact OD1-CA 3.34Å; N163-G165 PolarHBondContact OD1-N 3.42Å
166	G	97.8	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	122.5	173.3	0	0	0	0	0	112.3	F108 A137 S164	F108-G166 CarbonylContact O-C 3.59Å; F108-G166 WeakPolarHBondContact O-CA 3Å; A137-G166 PolarHBondContact N-O 3Å; S164-G166 PolarHBondContact O-N 3.05Å; S164-G166 VanDerWaalsContact O-N 3.13Å
167	I	98.4	Very high	96.9	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.4	177.9	-45.1	176.1	0	0	0	107.9	L107 F108 V134 F136 Y193	L107-I167 CarbonylContact C-O 3.56Å; L107-I167 WeakPolarHBondContact CA-O 3.45Å; F108-I167 HydrophobicContact CB-CB 4.25Å; F108-I167 HydrophobicContact CD1-CD1 4.22Å; F108-I167 HydrophobicContact CD1-CG1 4.42Å; F108-I167 PolarHBondContact N-O 2.87Å; F108-I167 PolarHBondContact O-N 3.43Å; V134-I167 HydrophobicContact CG1-CG2 3.87Å; F136-I167 HydrophobicContact CD1-CB 4.39Å; F136-I167 HydrophobicContact CD1-CD1 4.12Å; F136-I167 HydrophobicContact CD1-CG1 3.68Å; F136-I167 HydrophobicContact CD1-CG2 4.18Å; F136-I167 HydrophobicContact CE1-CB 4.42Å; F136-I167 HydrophobicContact CE1-CD1 3.58Å; F136-I167 HydrophobicContact CE1-CG1 3.67Å; F136-I167 HydrophobicContact CE1-CG2 3.97Å; F136-I167 HydrophobicContact CZ-CD1 4.46Å; F136-I167 HydrophobicContact CZ-CG2 4.22Å; I167-Y193 HydrophobicContact CD1-CD2 4.39Å; I167-Y193 HydrophobicContact CD1-CE1 4.11Å; I167-Y193 HydrophobicContact CD1-CE2 3.92Å
168	I	98.7	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.3	169.7	-174	165.3	0	0	0	110.1	V105 V106 L107 I123 F127 V134 L135 I216 F217	V105-I168 HydrophobicContact CG1-CD1 3.94Å; V105-I168 HydrophobicContact CG1-CG1 3.63Å; V106-I168 WeakPolarHBondContact O-CA 3.21Å; L107-I168 HydrophobicContact CD1-CB 3.94Å; L107-I168 HydrophobicContact CD1-CD1 4.43Å; L107-I168 HydrophobicContact CD1-CG1 4.47Å; I123-I168 HydrophobicContact CD1-CD1 4.24Å; I123-I168 HydrophobicContact CG1-CD1 3.79Å; F127-I168 HydrophobicContact CB-CD1 3.92Å; F127-I168 HydrophobicContact CD1-CD1 4.4Å; F127-I168 HydrophobicContact CD1-CG1 4.35Å; F127-I168 HydrophobicContact CD2-CB 4.43Å; F127-I168 HydrophobicContact CD2-CD1 4.4Å; F127-I168 HydrophobicContact CD2-CG1 4.07Å; F127-I168 HydrophobicContact CD2-CG2 3.66Å; F127-I168 HydrophobicContact CE2-CG1 4.41Å; F127-I168 HydrophobicContact CE2-CG2 4.14Å; F127-I168 HydrophobicContact CG-CD1 3.99Å; F127-I168 HydrophobicContact CG-CG1 4.04Å; F127-I168 HydrophobicContact CG-CG2 4.31Å; V134-I168 CarbonylContact C-O 3.57Å; V134-I168 WeakPolarHBondContact CA-O 3.26Å; L135-I168 HydrophobicContact CB-CG2 3.97Å; L135-I168 HydrophobicContact CD2-CG2 3.76Å; L135-I168 HydrophobicContact CG-CG2 4.47Å; L135-I168 PolarHBondContact N-O 3.31Å; L135-I168 PolarHBondContact O-N 2.98Å; I168-I216 HydrophobicContact CG2-CD1 4.35Å; I168-F217 HydrophobicContact CB-CZ 4.28Å; I168-F217 HydrophobicContact CG2-CE2 3.93Å; I168-F217 HydrophobicContact CG2-CZ 4.1Å
169	G	98.1	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	167.5	-179.3	0	0	0	0	0	113.6	V105 V106 K133	V105-G169 WeakPolarHBondContact CA-O 3.3Å; V106-G169 PolarHBondContact N-O 3.2Å; V106-G169 PolarHBondContact O-N 3.49Å; K133-G169 WeakPolarHBondContact O-CA 3.44Å
170	Y	98	Very high	97.3	Very high	43 Å²	43	23 Å²	23	17%	0.169	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.4	171.8	-65.2	-83.3	0	0	0	110.2	I32 L104 V105 F127 K133 P172 Y173 V174	I32-Y170 HydrophobicContact CD1-CE1 4.3Å; L104-Y170 CarbonylContact O-C 3.59Å; L104-Y170 WeakPolarHBondContact O-CA 3.15Å; V105-Y170 HydrophobicContact CG2-CD1 4.16Å; V105-Y170 HydrophobicContact CG2-CE1 4.11Å; F127-Y170 HydrophobicContact CE1-CD2 4.1Å; F127-Y170 AromaticContact CE1-CE2 3.71Å; F127-Y170 HydrophobicContact CE1-CE2 3.71Å; F127-Y170 AromaticContact CE1-CZ 3.98Å; F127-Y170 HydrophobicContact CZ-CD2 4.01Å; F127-Y170 AromaticContact CZ-CE2 3.87Å; F127-Y170 HydrophobicContact CZ-CE2 3.87Å; K133-Y170 HydrophobicContact CB-CD2 4.39Å; K133-Y170 HydrophobicContact CD-CD2 3.72Å; K133-Y170 HydrophobicContact CD-CE2 3.9Å; K133-Y170 PolarHBondContact O-N 3.27Å; Y170-P172 VanDerWaalsContact C-CD 3.44Å; Y170-Y173 PolarHBondContact O-N 2.6Å; Y170-V174 PolarHBondContact O-N 2.89Å
171	A	97.4	Very high	97.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-51.6	-42.7	-171.8	0	0	0	0	0	114.5	M95 L104 V106 Y173 V174 N175	M95-A171 HydrophobicContact CE-CB 3.93Å; M95-A171 WeakPolarHBondContact CE-O 3.27Å; L104-A171 HydrophobicContact CB-CB 4.05Å; L104-A171 HydrophobicContact CD2-CB 4.03Å; L104-A171 HydrophobicContact CG-CB 4.28Å; L104-A171 PolarHBondContact O-N 3.5Å; V106-A171 HydrophobicContact CG2-CB 3.9Å; A171-Y173 VanDerWaalsContact C-N 3.28Å; A171-Y173 PolarHBondContact O-N 3.11Å; A171-V174 PolarHBondContact O-N 2.98Å; A171-N175 WeakPolarHBondContact O-CB 3.39Å; A171-N175 PolarHBondContact O-N 2.68Å
172	P	97.1	Very high	97.2	Very high	18 Å²	18	26.1 Å²	26.1	12%	0.117	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-34.4	178.1	-21.2	31.6	0	0	0	113.4	E102 Y170 R176	E102-P172 HydrophobicContact CG-CG 4.42Å; Y170-P172 VanDerWaalsContact C-CD 3.44Å; P172-R176 VanDerWaalsContact O-CG 3.28Å; P172-R176 WeakPolarHBondContact O-CG 3.25Å; P172-R176 PolarHBondContact O-N 3.24Å; P172-R176 VanDerWaalsContact O-N 3.15Å
173	Y	97.4	Very high	97	Very high	56 Å²	56	29.2 Å²	29.2	22%	0.22	14%	0.144	C	C	.	.	H	α-helix	trans	-78.9	-40.3	-178.4	-67.6	-96.7	0	0	0	111.5	K133 Y170 A171 N175 R176 L177 L206	K133-Y173 HydrophobicContact CB-CD1 3.74Å; K133-Y173 HydrophobicContact CB-CD2 4.07Å; K133-Y173 HydrophobicContact CB-CE1 3.91Å; K133-Y173 HydrophobicContact CB-CE2 4.21Å; K133-Y173 HydrophobicContact CB-CG 3.82Å; K133-Y173 HydrophobicContact CD-CD2 4.45Å; K133-Y173 HydrophobicContact CD-CE1 4.49Å; K133-Y173 HydrophobicContact CD-CE2 3.89Å; K133-Y173 HydrophobicContact CG-CD1 4.16Å; K133-Y173 HydrophobicContact CG-CD2 4.42Å; K133-Y173 HydrophobicContact CG-CE1 3.79Å; K133-Y173 HydrophobicContact CG-CE2 4.05Å; K133-Y173 HydrophobicContact CG-CG 4.46Å; Y170-Y173 PolarHBondContact O-N 2.6Å; A171-Y173 VanDerWaalsContact C-N 3.28Å; A171-Y173 PolarHBondContact O-N 3.11Å; Y173-N175 VanDerWaalsContact C-N 3.3Å; Y173-N175 PolarHBondContact O-N 2.97Å; Y173-R176 PolarHBondContact O-N 3.3Å; Y173-L177 PolarHBondContact O-N 2.78Å; Y173-L177 VanDerWaalsContact O-N 3.07Å; Y173-L206 HydrophobicContact CD1-CD2 4.37Å
174	V	97.6	Very high	96.7	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-41.7	172	178.9	0	0	0	0	110	M95 V106 Y170 A171 R176 L177 V178	M95-V174 HydrophobicContact CE-CB 4.09Å; M95-V174 HydrophobicContact CE-CG1 4.21Å; M95-V174 HydrophobicContact CG-CG1 4.25Å; M95-V174 HydrophobicContact SD-CG1 4.06Å; V106-V174 HydrophobicContact CB-CG2 4.48Å; Y170-V174 PolarHBondContact O-N 2.89Å; A171-V174 PolarHBondContact O-N 2.98Å; V174-R176 PolarHBondContact O-N 2.84Å; V174-L177 WeakPolarHBondContact O-CB 3.36Å; V174-L177 PolarHBondContact O-N 3.45Å; V174-V178 WeakPolarHBondContact O-CG2 3.36Å; V174-V178 PolarHBondContact O-N 3.4Å
175	N	97.8	Very high	96.4	Very high	30 Å²	30	36.4 Å²	36.4	16%	0.16	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-45.7	176.2	-173.9	50.6	0	0	0	112.3	M95 A99 A171 Y173 L177 V178 S179	M95-N175 HydrophobicContact CB-CB 4.17Å; M95-N175 WeakPolarHBondContact CB-OD1 3.45Å; M95-N175 HydrophobicContact CE-CB 4.04Å; A99-N175 HydrophobicContact CB-CB 3.71Å; A99-N175 VanDerWaalsContact CB-ND2 3.33Å; A99-N175 WeakPolarHBondContact CB-ND2 3.23Å; A171-N175 WeakPolarHBondContact O-CB 3.39Å; A171-N175 PolarHBondContact O-N 2.68Å; Y173-N175 VanDerWaalsContact C-N 3.3Å; Y173-N175 PolarHBondContact O-N 2.97Å; N175-L177 PolarHBondContact O-N 2.99Å; N175-V178 PolarHBondContact O-N 2.89Å; N175-S179 WeakPolarHBondContact O-CB 3.31Å; N175-S179 PolarHBondContact O-N 3.12Å; N175-S179 PolarHBondContact O-OG 3.17Å; N175-S179 PolarHBondContact OD1-OG 3.29Å
176	R	96.5	Very high	96.1	Very high	113 Å²	113	40.4 Å²	40.4	43%	0.426	20%	0.198	S	C	.	.	H	α-helix	trans	-61.9	-31.6	176.7	-71.3	170.9	-166	174.3	5.8	112.9	P172 Y173 V174 Q180 L206	P172-R176 VanDerWaalsContact O-CG 3.28Å; P172-R176 WeakPolarHBondContact O-CG 3.25Å; P172-R176 PolarHBondContact O-N 3.24Å; P172-R176 VanDerWaalsContact O-N 3.15Å; Y173-R176 PolarHBondContact O-N 3.3Å; V174-R176 PolarHBondContact O-N 2.84Å; R176-Q180 PolarHBondContact O-NE2 3.42Å; R176-L206 HydrophobicContact CB-CD2 3.82Å
177	L	96.1	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-57	175.5	-179.4	91.2	0	0	0	110.6	F136 Y173 V174 N175 S179 Q180 Y193 I196 L206 M208	F136-L177 HydrophobicContact CE1-CD2 4.35Å; F136-L177 HydrophobicContact CZ-CD1 4.02Å; F136-L177 HydrophobicContact CZ-CD2 3.68Å; Y173-L177 PolarHBondContact O-N 2.78Å; Y173-L177 VanDerWaalsContact O-N 3.07Å; V174-L177 WeakPolarHBondContact O-CB 3.36Å; V174-L177 PolarHBondContact O-N 3.45Å; N175-L177 PolarHBondContact O-N 2.99Å; L177-S179 PolarHBondContact O-N 2.91Å; L177-Q180 WeakPolarHBondContact O-CB 3.27Å; L177-Q180 PolarHBondContact O-N 2.76Å; L177-Y193 HydrophobicContact CD1-CD1 4.31Å; L177-Y193 HydrophobicContact CD2-CD1 3.64Å; L177-Y193 HydrophobicContact CD2-CE1 3.39Å; L177-Y193 HydrophobicContact CG-CD1 4.01Å; L177-Y193 HydrophobicContact CG-CE1 3.93Å; L177-I196 HydrophobicContact CD1-CD1 4.4Å; L177-I196 HydrophobicContact CD1-CG2 3.83Å; L177-L206 HydrophobicContact CD1-CD1 4.17Å; L177-M208 HydrophobicContact CD1-SD 3.74Å
178	V	97.1	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-75.5	-23.8	-174	-57.9	0	0	0	0	113.3	L91 K92 M95 V174 N175 Q180 W181 Y193	L91-V178 HydrophobicContact CD2-CG1 3.72Å; L91-V178 HydrophobicContact CG-CG1 3.99Å; K92-V178 HydrophobicContact CB-CB 4.22Å; K92-V178 HydrophobicContact CB-CG2 4.09Å; M95-V178 HydrophobicContact CB-CG2 4.07Å; M95-V178 HydrophobicContact CG-CG2 3.97Å; V174-V178 WeakPolarHBondContact O-CG2 3.36Å; V174-V178 PolarHBondContact O-N 3.4Å; N175-V178 PolarHBondContact O-N 2.89Å; V178-Q180 PolarHBondContact O-N 2.71Å; V178-Q180 VanDerWaalsContact O-N 3.15Å; V178-W181 WeakPolarHBondContact O-CB 3.36Å; V178-W181 PolarHBondContact O-N 3.1Å; V178-Y193 HydrophobicContact CG1-CE1 4.31Å
179	S	96.4	Very high	95.4	Very high	55 Å²	55	43.2 Å²	43.2	39%	0.385	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.7	174.7	-68.8	0	0	0	0	113	N175 L177 W181	N175-S179 WeakPolarHBondContact O-CB 3.31Å; N175-S179 PolarHBondContact O-N 3.12Å; N175-S179 PolarHBondContact O-OG 3.17Å; N175-S179 PolarHBondContact OD1-OG 3.29Å; L177-S179 PolarHBondContact O-N 2.91Å; S179-W181 PolarHBondContact O-N 3Å
180	Q	96.1	Very high	95.3	Very high	64 Å²	64	43.7 Å²	43.7	30%	0.299	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.2	175.4	-66.9	173.2	70.4	0	0	113.4	R176 L177 V178 D182 F192 I196	R176-Q180 PolarHBondContact O-NE2 3.42Å; L177-Q180 WeakPolarHBondContact O-CB 3.27Å; L177-Q180 PolarHBondContact O-N 2.76Å; V178-Q180 PolarHBondContact O-N 2.71Å; V178-Q180 VanDerWaalsContact O-N 3.15Å; Q180-D182 PolarHBondContact O-N 2.77Å; Q180-F192 HydrophobicContact CB-CE2 4.33Å; Q180-F192 HydrophobicContact CB-CZ 4.21Å; Q180-I196 HydrophobicContact CB-CD1 4.36Å
181	W	96.8	Very high	95.2	Very high	10 Å²	10	43.4 Å²	43.4	4%	0.038	22%	0.217	C	C	.	.			trans	-70.5	117.7	177.3	-179.5	-93.7	0	0	0	111.4	G85 V88 K92 V178 S179 L183 H184 D187 F192	G85-W181 WeakPolarHBondContact O-CZ2 3.39Å; V88-W181 HydrophobicContact CB-CD2 3.78Å; V88-W181 HydrophobicContact CB-CE3 3.75Å; V88-W181 HydrophobicContact CB-CG 4.23Å; V88-W181 HydrophobicContact CB-CH2 4.48Å; V88-W181 HydrophobicContact CB-CZ3 4.1Å; V88-W181 HydrophobicContact CG1-CB 3.79Å; V88-W181 HydrophobicContact CG1-CD2 3.63Å; V88-W181 HydrophobicContact CG1-CE3 3.54Å; V88-W181 HydrophobicContact CG1-CG 3.76Å; V88-W181 HydrophobicContact CG1-CZ3 4.32Å; V88-W181 HydrophobicContact CG2-CE3 4.09Å; V88-W181 HydrophobicContact CG2-CH2 4.46Å; V88-W181 HydrophobicContact CG2-CZ3 4.01Å; K92-W181 HydrophobicContact CD-CB 4.36Å; K92-W181 PolarHBondContact NZ-O 3.43Å; V178-W181 WeakPolarHBondContact O-CB 3.36Å; V178-W181 PolarHBondContact O-N 3.1Å; S179-W181 PolarHBondContact O-N 3Å; W181-L183 HydrophobicContact CD2-CB 4.14Å; W181-L183 HydrophobicContact CE3-CB 4.14Å; W181-L183 HydrophobicContact CE3-CD1 4.23Å; W181-L183 HydrophobicContact CE3-CG 4.42Å; W181-L183 HydrophobicContact CH2-CB 3.62Å; W181-L183 HydrophobicContact CH2-CD1 4.12Å; W181-L183 HydrophobicContact CH2-CG 4.44Å; W181-L183 HydrophobicContact CZ2-CB 3.59Å; W181-L183 HydrophobicContact CZ3-CB 3.91Å; W181-L183 HydrophobicContact CZ3-CD1 3.77Å; W181-L183 HydrophobicContact CZ3-CG 4.28Å; W181-L183 PolarHBondContact NE1-O 3.04Å; W181-H184 VanDerWaalsContact CZ2-O 3.25Å; W181-H184 WeakPolarHBondContact CZ2-O 3.48Å; W181-D187 HydrophobicContact CH2-CB 4.02Å; W181-F192 HydrophobicContact CB-CE2 4.26Å; W181-F192 HydrophobicContact CB-CZ 3.96Å; W181-F192 HydrophobicContact CE3-CB 4.03Å; W181-F192 AromaticContact CE3-CD1 3.74Å; W181-F192 HydrophobicContact CE3-CD1 3.74Å; W181-F192 AromaticContact CE3-CD2 3.62Å; W181-F192 HydrophobicContact CE3-CD2 3.62Å; W181-F192 HydrophobicContact CE3-CE1 4.04Å; W181-F192 AromaticContact CE3-CE2 3.93Å; W181-F192 HydrophobicContact CE3-CE2 3.93Å; W181-F192 AromaticContact CE3-CG 3.52Å; W181-F192 HydrophobicContact CE3-CG 3.52Å; W181-F192 HydrophobicContact CE3-CZ 4.13Å; W181-F192 HydrophobicContact CZ3-CB 3.65Å; W181-F192 HydrophobicContact CZ3-CD1 4.12Å; W181-F192 HydrophobicContact CZ3-CD2 4.08Å; W181-F192 AromaticContact CZ3-CG 3.69Å; W181-F192 HydrophobicContact CZ3-CG 3.69Å
182	D	94.5	Very high	95.2	Very high	140 Å²	140	44.1 Å²	44.1	75%	0.749	22%	0.22	S	C	*	.			trans	-132.1	16.7	176.7	64.3	-12.6	0	0	0	112.5	Q180	Q180-D182 PolarHBondContact O-N 2.77Å
183	L	94.3	Very high	95.3	Very high	66 Å²	66	43.3 Å²	43.3	35%	0.346	22%	0.215	S	C	.	.	S	Bend	trans	-98.7	174	-176.1	-59.4	-179.7	0	0	0	112.5	W181 D187 F192	W181-L183 HydrophobicContact CD2-CB 4.14Å; W181-L183 HydrophobicContact CE3-CB 4.14Å; W181-L183 HydrophobicContact CE3-CD1 4.23Å; W181-L183 HydrophobicContact CE3-CG 4.42Å; W181-L183 HydrophobicContact CH2-CB 3.62Å; W181-L183 HydrophobicContact CH2-CD1 4.12Å; W181-L183 HydrophobicContact CH2-CG 4.44Å; W181-L183 HydrophobicContact CZ2-CB 3.59Å; W181-L183 HydrophobicContact CZ3-CB 3.91Å; W181-L183 HydrophobicContact CZ3-CD1 3.77Å; W181-L183 HydrophobicContact CZ3-CG 4.28Å; W181-L183 PolarHBondContact NE1-O 3.04Å; L183-D187 HydrophobicContact CB-CB 3.91Å; L183-D187 WeakPolarHBondContact CB-OD2 3.45Å; L183-D187 HydrophobicContact CD1-CB 4.29Å; L183-F192 HydrophobicContact CD1-CB 4.38Å; L183-F192 HydrophobicContact CD1-CD2 4.27Å
184	H	92.8	Very high	95.3	Very high	131 Å²	131	40.9 Å²	40.9	61%	0.606	21%	0.206	S	C	*	.			trans	-83.5	156.5	-178.3	-56.1	85.4	0	0	0	112.4	W181 N186 D187	W181-H184 VanDerWaalsContact CZ2-O 3.25Å; W181-H184 WeakPolarHBondContact CZ2-O 3.48Å; H184-N186 VanDerWaalsContact CB-OD1 3.25Å; H184-N186 WeakPolarHBondContact CB-OD1 3.26Å; H184-N186 PolarHBondContact O-N 3.21Å; H184-D187 WeakPolarHBondContact CB-OD2 2.93Å; H184-D187 IonicContact CG-OD2 2.72Å; H184-D187 PolarHBondContact N-OD2 2.75Å; H184-D187 IonicContact ND1-OD2 3.67Å; H184-D187 PolarHBondContact ND1-OD2 2.83Å; H184-D187 VanDerWaalsContact ND1-OD2 3.14Å; H184-D187 WeakPolarHBondContact O-CB 3.37Å; H184-D187 PolarHBondContact O-N 3.03Å
185	D	90.5	Very high	95.3	Very high	31 Å²	31	46.8 Å²	46.8	17%	0.166	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.7	179.6	-85.7	-2.5	0	0	0	113.4	K74 G75 G85 Q86 R89	K74-D185 HydrophobicContact CB-CB 3.92Å; G75-D185 VanDerWaalsContact CA-O 3.28Å; G75-D185 WeakPolarHBondContact CA-O 3.5Å; G85-D185 CarbonylContact C-O 3.54Å; G85-D185 VanDerWaalsContact CA-O 3.26Å; G85-D185 WeakPolarHBondContact CA-O 3.42Å; G85-D185 PolarHBondContact N-O 3.38Å; G85-D185 VanDerWaalsContact N-O 3.1Å; Q86-D185 HydrophobicContact CB-CB 3.99Å; Q86-D185 PolarHBondContact N-O 3.01Å; R89-D185 WeakPolarHBondContact CD-OD1 3.32Å; R89-D185 IonicContact CZ-OD1 3.07Å; R89-D185 IonicContact NE-OD1 2.7Å; R89-D185 PolarHBondContact NE-OD1 2.98Å; R89-D185 IonicContact NE-OD2 3.17Å; R89-D185 IonicContact NH2-OD2 2.77Å
186	N	89.6	Confident	95.3	Very high	86 Å²	86	45.7 Å²	45.7	46%	0.46	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.9	179.5	67	-28.9	0	0	0	114.6	H184	H184-N186 VanDerWaalsContact CB-OD1 3.25Å; H184-N186 WeakPolarHBondContact CB-OD1 3.26Å; H184-N186 PolarHBondContact O-N 3.21Å
187	D	91.8	Very high	95.3	Very high	49 Å²	49	40.7 Å²	40.7	26%	0.262	21%	0.206	S	C	.	.	S	Bend	trans	-72	162.4	170.2	-77.4	-50	0	0	0	110.7	G83 G85 W181 L183 H184	G83-D187 CarbonylContact C-O 3.29Å; G85-D187 VanDerWaalsContact CA-O 3.27Å; G85-D187 WeakPolarHBondContact CA-O 3.5Å; G85-D187 PolarHBondContact N-O 3Å; W181-D187 HydrophobicContact CH2-CB 4.02Å; L183-D187 HydrophobicContact CB-CB 3.91Å; L183-D187 WeakPolarHBondContact CB-OD2 3.45Å; L183-D187 HydrophobicContact CD1-CB 4.29Å; H184-D187 WeakPolarHBondContact CB-OD2 2.93Å; H184-D187 IonicContact CG-OD2 2.72Å; H184-D187 PolarHBondContact N-OD2 2.75Å; H184-D187 IonicContact ND1-OD2 3.67Å; H184-D187 PolarHBondContact ND1-OD2 2.83Å; H184-D187 VanDerWaalsContact ND1-OD2 3.14Å; H184-D187 WeakPolarHBondContact O-CB 3.37Å; H184-D187 PolarHBondContact O-N 3.03Å
188	D	93.1	Very high	95.4	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.027	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-80.5	119.7	-171.7	-162	-110.3	0	0	0	113.1	I82 G83 W143 P144 Q190 L191 F192	I82-D188 VanDerWaalsContact CA-OD2 3.27Å; I82-D188 WeakPolarHBondContact CA-OD2 3.47Å; I82-D188 HydrophobicContact CB-CB 3.93Å; I82-D188 WeakPolarHBondContact CB-OD2 3.49Å; I82-D188 HydrophobicContact CG2-CB 4.21Å; G83-D188 PolarHBondContact N-OD2 3.49Å; G83-D188 VanDerWaalsContact N-OD2 3.08Å; G83-D188 WeakPolarHBondContact O-CA 3.05Å; W143-D188 WeakPolarHBondContact CH2-OD2 3.32Å; W143-D188 WeakPolarHBondContact CZ3-OD1 3.45Å; W143-D188 WeakPolarHBondContact CZ3-OD2 3.19Å; P144-D188 WeakPolarHBondContact CD-OD1 3.32Å; P144-D188 WeakPolarHBondContact CG-OD1 3.21Å; D188-Q190 PolarHBondContact OD1-N 2.9Å; D188-L191 HydrophobicContact CB-CB 3.76Å; D188-L191 VanDerWaalsContact OD1-CB 3.27Å; D188-L191 WeakPolarHBondContact OD1-CB 3.5Å; D188-L191 PolarHBondContact OD1-N 3.24Å; D188-F192 PolarHBondContact O-N 3.02Å
189	D	94.9	Very high	95.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-44.1	177.6	66.5	-31.6	0	0	0	111.6	G83 K87 V88 S164 F192 Y193	G83-D189 PolarHBondContact O-N 3.01Å; G83-D189 VanDerWaalsContact O-N 3.11Å; G83-D189 VanDerWaalsContact O-OD1 3.06Å; K87-D189 WeakPolarHBondContact CE-OD2 3.05Å; K87-D189 IonicContact NZ-OD2 2.81Å; K87-D189 PolarHBondContact NZ-OD2 3.01Å; V88-D189 HydrophobicContact CG2-CB 3.57Å; S164-D189 PolarHBondContact OG-OD2 2.91Å; D189-F192 WeakPolarHBondContact O-CB 3.05Å; D189-F192 PolarHBondContact O-N 3.45Å; D189-Y193 HydrophobicContact CB-CE2 4.49Å; D189-Y193 WeakPolarHBondContact O-CD2 3.28Å; D189-Y193 PolarHBondContact O-N 3Å
190	Q	96	Very high	95.4	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-41.5	-179.5	-174.9	155.9	-53.9	0	0	112.9	E139 W143 L162 N163 D188 F192 Y193 T194	E139-Q190 PolarHBondContact OE1-NE2 3.4Å; W143-Q190 HydrophobicContact CE3-CB 4.09Å; W143-Q190 HydrophobicContact CE3-CG 4.25Å; W143-Q190 HydrophobicContact CZ3-CB 3.93Å; W143-Q190 PolarHBondContact O-NE2 2.82Å; L162-Q190 HydrophobicContact CD2-CG 4.41Å; L162-Q190 PolarHBondContact O-NE2 3.34Å; N163-Q190 PolarHBondContact ND2-OE1 2.8Å; D188-Q190 PolarHBondContact OD1-N 2.9Å; Q190-F192 VanDerWaalsContact C-N 3.33Å; Q190-Y193 PolarHBondContact O-N 2.9Å; Q190-T194 WeakPolarHBondContact O-CB 3.42Å; Q190-T194 PolarHBondContact O-N 3.47Å; Q190-T194 PolarHBondContact O-OG1 3.36Å
191	L	96.4	Very high	95.5	Very high	37 Å²	37	48.7 Å²	48.7	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-37.9	177.1	-173.7	58.9	0	0	0	111.4	P144 D145 L148 D188 T194 K195	P144-L191 HydrophobicContact CG-CB 3.89Å; P144-L191 HydrophobicContact CG-CD1 4.24Å; P144-L191 HydrophobicContact CG-CD2 4.36Å; P144-L191 HydrophobicContact CG-CG 4.38Å; D145-L191 HydrophobicContact CB-CD1 4.38Å; L148-L191 HydrophobicContact CD1-CD1 3.87Å; D188-L191 HydrophobicContact CB-CB 3.76Å; D188-L191 VanDerWaalsContact OD1-CB 3.27Å; D188-L191 WeakPolarHBondContact OD1-CB 3.5Å; D188-L191 PolarHBondContact OD1-N 3.24Å; L191-T194 PolarHBondContact O-N 2.93Å; L191-K195 HydrophobicContact CD1-CG 4.42Å; L191-K195 HydrophobicContact CG-CD 4.32Å; L191-K195 WeakPolarHBondContact O-CB 3.25Å; L191-K195 VanDerWaalsContact O-CG 3.31Å; L191-K195 WeakPolarHBondContact O-CG 3.46Å; L191-K195 PolarHBondContact O-N 3.15Å
192	F	97.6	Very high	95.4	Very high	14 Å²	14	51.9 Å²	51.9	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-54.3	175.1	165.8	-103.8	0	0	0	111.3	V88 Q180 W181 L183 D188 D189 Q190 T194 K195 I196	V88-F192 HydrophobicContact CG1-CD1 4.05Å; V88-F192 HydrophobicContact CG1-CE1 3.75Å; V88-F192 HydrophobicContact CG1-CZ 4.46Å; V88-F192 HydrophobicContact CG2-CD1 4.49Å; Q180-F192 HydrophobicContact CB-CE2 4.33Å; Q180-F192 HydrophobicContact CB-CZ 4.21Å; W181-F192 HydrophobicContact CB-CE2 4.26Å; W181-F192 HydrophobicContact CB-CZ 3.96Å; W181-F192 HydrophobicContact CE3-CB 4.03Å; W181-F192 AromaticContact CE3-CD1 3.74Å; W181-F192 HydrophobicContact CE3-CD1 3.74Å; W181-F192 AromaticContact CE3-CD2 3.62Å; W181-F192 HydrophobicContact CE3-CD2 3.62Å; W181-F192 HydrophobicContact CE3-CE1 4.04Å; W181-F192 AromaticContact CE3-CE2 3.93Å; W181-F192 HydrophobicContact CE3-CE2 3.93Å; W181-F192 AromaticContact CE3-CG 3.52Å; W181-F192 HydrophobicContact CE3-CG 3.52Å; W181-F192 HydrophobicContact CE3-CZ 4.13Å; W181-F192 HydrophobicContact CZ3-CB 3.65Å; W181-F192 HydrophobicContact CZ3-CD1 4.12Å; W181-F192 HydrophobicContact CZ3-CD2 4.08Å; W181-F192 AromaticContact CZ3-CG 3.69Å; W181-F192 HydrophobicContact CZ3-CG 3.69Å; L183-F192 HydrophobicContact CD1-CB 4.38Å; L183-F192 HydrophobicContact CD1-CD2 4.27Å; D188-F192 PolarHBondContact O-N 3.02Å; D189-F192 WeakPolarHBondContact O-CB 3.05Å; D189-F192 PolarHBondContact O-N 3.45Å; Q190-F192 VanDerWaalsContact C-N 3.33Å; F192-T194 VanDerWaalsContact C-N 3.34Å; F192-T194 PolarHBondContact O-N 2.74Å; F192-K195 PolarHBondContact O-N 3.13Å; F192-I196 HydrophobicContact CD1-CD1 4.29Å; F192-I196 HydrophobicContact CD2-CD1 4.13Å; F192-I196 HydrophobicContact CE1-CD1 3.77Å; F192-I196 HydrophobicContact CE2-CD1 3.59Å; F192-I196 HydrophobicContact CG-CD1 4.46Å; F192-I196 HydrophobicContact CZ-CD1 3.38Å; F192-I196 PolarHBondContact O-N 2.92Å
193	Y	98.1	Very high	95.5	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-37.9	178.1	-65	-58.9	0	0	0	112.5	V88 F136 I167 L177 V178 D189 Q190 K195 I196 Y197	V88-Y193 HydrophobicContact CG2-CE2 3.94Å; F136-Y193 AromaticContact CE1-CD1 3.93Å; F136-Y193 HydrophobicContact CE1-CD1 3.93Å; F136-Y193 HydrophobicContact CE1-CD2 4.49Å; F136-Y193 AromaticContact CE1-CG 3.86Å; F136-Y193 HydrophobicContact CE1-CG 3.86Å; F136-Y193 HydrophobicContact CZ-CD1 4.08Å; F136-Y193 HydrophobicContact CZ-CG 4.38Å; I167-Y193 HydrophobicContact CD1-CD2 4.39Å; I167-Y193 HydrophobicContact CD1-CE1 4.11Å; I167-Y193 HydrophobicContact CD1-CE2 3.92Å; L177-Y193 HydrophobicContact CD1-CD1 4.31Å; L177-Y193 HydrophobicContact CD2-CD1 3.64Å; L177-Y193 HydrophobicContact CD2-CE1 3.39Å; L177-Y193 HydrophobicContact CG-CD1 4.01Å; L177-Y193 HydrophobicContact CG-CE1 3.93Å; V178-Y193 HydrophobicContact CG1-CE1 4.31Å; D189-Y193 HydrophobicContact CB-CE2 4.49Å; D189-Y193 WeakPolarHBondContact O-CD2 3.28Å; D189-Y193 PolarHBondContact O-N 3Å; Q190-Y193 PolarHBondContact O-N 2.9Å; Y193-K195 PolarHBondContact O-N 2.85Å; Y193-I196 PolarHBondContact O-N 3.42Å; Y193-Y197 WeakPolarHBondContact O-CB 3.47Å; Y193-Y197 PolarHBondContact O-N 3.41Å
194	T	97.7	Very high	95.6	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-47.8	175.2	-68.9	0	0	0	0	111.4	L148 Y152 Q190 L191 F192 I196 Y197 L198	L148-T194 HydrophobicContact CD1-CG2 3.78Å; Y152-T194 HydrophobicContact CE2-CG2 4.06Å; Y152-T194 VanDerWaalsContact OH-CG2 3.26Å; Y152-T194 WeakPolarHBondContact OH-CG2 3.16Å; Y152-T194 PolarHBondContact OH-OG1 2.89Å; Q190-T194 WeakPolarHBondContact O-CB 3.42Å; Q190-T194 PolarHBondContact O-N 3.47Å; Q190-T194 PolarHBondContact O-OG1 3.36Å; L191-T194 PolarHBondContact O-N 2.93Å; F192-T194 VanDerWaalsContact C-N 3.34Å; F192-T194 PolarHBondContact O-N 2.74Å; T194-I196 VanDerWaalsContact C-N 3.29Å; T194-I196 PolarHBondContact O-N 2.02Å; T194-Y197 PolarHBondContact O-N 3.23Å; T194-L198 HydrophobicContact CG2-CD1 3.63Å; T194-L198 HydrophobicContact CG2-CG 4.16Å; T194-L198 WeakPolarHBondContact O-CB 3.09Å; T194-L198 VanDerWaalsContact O-CG 3.23Å; T194-L198 WeakPolarHBondContact O-CG 3.44Å; T194-L198 PolarHBondContact O-N 3.44Å
195	K	97.2	Very high	95.8	Very high	127 Å²	127	52.8 Å²	52.8	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-61.3	-38.9	179.2	-76	172.2	178.3	173.3	0	111.8	L191 F192 Y193 D199	L191-K195 HydrophobicContact CD1-CG 4.42Å; L191-K195 HydrophobicContact CG-CD 4.32Å; L191-K195 WeakPolarHBondContact O-CB 3.25Å; L191-K195 VanDerWaalsContact O-CG 3.31Å; L191-K195 WeakPolarHBondContact O-CG 3.46Å; L191-K195 PolarHBondContact O-N 3.15Å; F192-K195 PolarHBondContact O-N 3.13Å; Y193-K195 PolarHBondContact O-N 2.85Å; K195-D199 PolarHBondContact O-N 3.25Å
196	I	97.4	Very high	96	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-42.5	176.7	-64.2	167.1	0	0	0	111.2	L177 Q180 F192 Y193 T194 L198 D199 K202 L206 M208	L177-I196 HydrophobicContact CD1-CD1 4.4Å; L177-I196 HydrophobicContact CD1-CG2 3.83Å; Q180-I196 HydrophobicContact CB-CD1 4.36Å; F192-I196 HydrophobicContact CD1-CD1 4.29Å; F192-I196 HydrophobicContact CD2-CD1 4.13Å; F192-I196 HydrophobicContact CE1-CD1 3.77Å; F192-I196 HydrophobicContact CE2-CD1 3.59Å; F192-I196 HydrophobicContact CG-CD1 4.46Å; F192-I196 HydrophobicContact CZ-CD1 3.38Å; F192-I196 PolarHBondContact O-N 2.92Å; Y193-I196 PolarHBondContact O-N 3.42Å; T194-I196 VanDerWaalsContact C-N 3.29Å; T194-I196 PolarHBondContact O-N 2.02Å; I196-L198 VanDerWaalsContact C-N 3.34Å; I196-L198 PolarHBondContact O-N 2.94Å; I196-D199 PolarHBondContact O-N 3.38Å; I196-K202 HydrophobicContact CG2-CB 4.36Å; I196-K202 HydrophobicContact CG2-CD 4.2Å; I196-L206 HydrophobicContact CG2-CD1 4.36Å; I196-M208 HydrophobicContact CG2-CE 3.88Å; I196-M208 HydrophobicContact CG2-SD 4.39Å
197	Y	98	Very high	96.4	Very high	8 Å²	8	50.1 Å²	50.1	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-31.5	178.9	-179.2	-99.7	0	0	0	113.7	Y152 L162 Y193 T194 D199 R203 M208 L210	Y152-Y197 HydrophobicContact CD1-CD1 4.17Å; Y152-Y197 AromaticContact CD1-CE1 3.9Å; Y152-Y197 HydrophobicContact CD1-CE1 3.9Å; Y152-Y197 AromaticContact CE1-CD1 3.79Å; Y152-Y197 HydrophobicContact CE1-CD1 3.79Å; Y152-Y197 AromaticContact CE1-CE1 3.91Å; Y152-Y197 HydrophobicContact CE1-CE1 3.91Å; L162-Y197 HydrophobicContact CD1-CG 4.08Å; Y193-Y197 WeakPolarHBondContact O-CB 3.47Å; Y193-Y197 PolarHBondContact O-N 3.41Å; T194-Y197 PolarHBondContact O-N 3.23Å; Y197-D199 VanDerWaalsContact C-N 3.34Å; Y197-R203 HydrophobicContact CD2-CG 4.24Å; Y197-R203 VanDerWaalsContact CE2-CD 3.45Å; Y197-R203 HydrophobicContact CE2-CG 4.05Å; Y197-R203 WeakPolarHBondContact O-CD 3.4Å; Y197-R203 PolarHBondContact O-NH1 3.47Å; Y197-M208 HydrophobicContact CD2-CB 4.12Å; Y197-M208 HydrophobicContact CD2-CE 4.46Å; Y197-M208 HydrophobicContact CE2-CB 4.34Å; Y197-L210 HydrophobicContact CD1-CD2 4.31Å; Y197-L210 HydrophobicContact CD2-CD2 4.01Å; Y197-L210 HydrophobicContact CE1-CD1 3.92Å; Y197-L210 HydrophobicContact CE1-CD2 4.04Å; Y197-L210 HydrophobicContact CE1-CG 4.01Å; Y197-L210 HydrophobicContact CE2-CD2 3.72Å; Y197-L210 HydrophobicContact CE2-CG 4.03Å; Y197-L210 HydrophobicContact CG-CD2 4.31Å
198	L	97.6	Very high	96.7	Very high	22 Å²	22	48.1 Å²	48.1	12%	0.115	23%	0.233	C	C	.	.	H	α-helix	trans	-79.1	-16.1	179.7	-71.4	179.9	0	0	0	113.9	L148 K151 Y152 T194 I196 P200	L148-L198 HydrophobicContact CB-CD1 3.79Å; L148-L198 HydrophobicContact CD1-CD1 4.12Å; L148-L198 HydrophobicContact CD2-CD1 4.23Å; L148-L198 HydrophobicContact CG-CD1 4.27Å; K151-L198 HydrophobicContact CB-CD1 4.09Å; K151-L198 HydrophobicContact CB-CD2 3.92Å; K151-L198 HydrophobicContact CB-CG 4.46Å; K151-L198 WeakPolarHBondContact O-CD2 3.39Å; Y152-L198 HydrophobicContact CD1-CD2 4.03Å; Y152-L198 HydrophobicContact CD2-CD1 4.3Å; Y152-L198 HydrophobicContact CD2-CD2 3.66Å; Y152-L198 HydrophobicContact CD2-CG 4.44Å; Y152-L198 HydrophobicContact CE1-CD2 4.24Å; Y152-L198 HydrophobicContact CE2-CD1 3.98Å; Y152-L198 HydrophobicContact CE2-CD2 3.9Å; Y152-L198 HydrophobicContact CE2-CG 4.23Å; Y152-L198 HydrophobicContact CG-CD2 3.73Å; T194-L198 HydrophobicContact CG2-CD1 3.63Å; T194-L198 HydrophobicContact CG2-CG 4.16Å; T194-L198 WeakPolarHBondContact O-CB 3.09Å; T194-L198 VanDerWaalsContact O-CG 3.23Å; T194-L198 WeakPolarHBondContact O-CG 3.44Å; T194-L198 PolarHBondContact O-N 3.44Å; I196-L198 VanDerWaalsContact C-N 3.34Å; I196-L198 PolarHBondContact O-N 2.94Å; L198-P200 VanDerWaalsContact O-CD 3.26Å; L198-P200 WeakPolarHBondContact O-CD 3.37Å
199	D	97.7	Very high	96.9	Very high	53 Å²	53	48.9 Å²	48.9	28%	0.283	24%	0.238	S	C	.	.			trans	-75	112.5	169.8	-178.5	-29.9	0	0	0	109.3	K195 I196 Y197 L201 K202 R203	K195-D199 PolarHBondContact O-N 3.25Å; I196-D199 PolarHBondContact O-N 3.38Å; Y197-D199 VanDerWaalsContact C-N 3.34Å; D199-L201 VanDerWaalsContact C-N 3.3Å; D199-L201 PolarHBondContact O-N 3.46Å; D199-L201 PolarHBondContact OD1-N 3.43Å; D199-K202 HydrophobicContact CB-CB 4.01Å; D199-K202 HydrophobicContact CB-CD 4.06Å; D199-K202 HydrophobicContact CB-CG 4.09Å; D199-K202 PolarHBondContact O-N 2.85Å; D199-K202 PolarHBondContact OD1-N 2.89Å; D199-K202 WeakPolarHBondContact OD2-CD 3.46Å; D199-K202 WeakPolarHBondContact OD2-CE 3.42Å; D199-K202 WeakPolarHBondContact OD2-CG 3.45Å; D199-R203 WeakPolarHBondContact O-CB 3.21Å; D199-R203 PolarHBondContact O-N 3.25Å
200	P	96.1	Very high	97.1	Very high	80 Å²	80	48.7 Å²	48.7	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-61.4	-36.9	-175.4	-23	34.9	0	0	0	113.3	L198 R203 E204	L198-P200 VanDerWaalsContact O-CD 3.26Å; L198-P200 WeakPolarHBondContact O-CD 3.37Å; P200-R203 PolarHBondContact O-N 3.46Å; P200-E204 WeakPolarHBondContact O-CB 3.2Å; P200-E204 PolarHBondContact O-N 3.17Å
201	L	96.8	Very high	97.2	Very high	133 Å²	133	48.7 Å²	48.7	70%	0.696	24%	0.238	S	C	*	.	H	α-helix	trans	-69.4	-43.9	-178.5	-64.4	175.9	0	0	0	110.3	D199 F205	D199-L201 VanDerWaalsContact C-N 3.3Å; D199-L201 PolarHBondContact O-N 3.46Å; D199-L201 PolarHBondContact OD1-N 3.43Å; L201-F205 WeakPolarHBondContact O-CB 3.44Å; L201-F205 PolarHBondContact O-N 3.31Å
202	K	96.3	Very high	97.3	Very high	77 Å²	77	49 Å²	49	34%	0.335	24%	0.238	S	C	.	.	H	α-helix	trans	-66.9	-39.5	175.9	-66.2	-176.1	-176.4	-168	0	111.8	I196 D199 F205 L206	I196-K202 HydrophobicContact CG2-CB 4.36Å; I196-K202 HydrophobicContact CG2-CD 4.2Å; D199-K202 HydrophobicContact CB-CB 4.01Å; D199-K202 HydrophobicContact CB-CD 4.06Å; D199-K202 HydrophobicContact CB-CG 4.09Å; D199-K202 PolarHBondContact O-N 2.85Å; D199-K202 PolarHBondContact OD1-N 2.89Å; D199-K202 WeakPolarHBondContact OD2-CD 3.46Å; D199-K202 WeakPolarHBondContact OD2-CE 3.42Å; D199-K202 WeakPolarHBondContact OD2-CG 3.45Å; K202-F205 PolarHBondContact O-N 2.71Å; K202-L206 WeakPolarHBondContact O-CB 3.48Å; K202-L206 PolarHBondContact O-N 2.9Å
203	R	96.7	Very high	97.2	Very high	60 Å²	60	53.3 Å²	53.3	23%	0.226	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-43.9	177.4	-174.8	174	64.4	-139	2.8	112.5	Y197 D199 P200 N207 M208	Y197-R203 HydrophobicContact CD2-CG 4.24Å; Y197-R203 VanDerWaalsContact CE2-CD 3.45Å; Y197-R203 HydrophobicContact CE2-CG 4.05Å; Y197-R203 WeakPolarHBondContact O-CD 3.4Å; Y197-R203 PolarHBondContact O-NH1 3.47Å; D199-R203 WeakPolarHBondContact O-CB 3.21Å; D199-R203 PolarHBondContact O-N 3.25Å; P200-R203 PolarHBondContact O-N 3.46Å; R203-N207 WeakPolarHBondContact O-CA 3.27Å; R203-N207 PolarHBondContact O-N 3.16Å; R203-N207 VanDerWaalsContact O-N 3.08Å; R203-M208 VanDerWaalsContact CA-CE 3.45Å; R203-M208 HydrophobicContact CB-CE 4.05Å; R203-M208 HydrophobicContact CG-CB 4.27Å; R203-M208 HydrophobicContact CG-CE 4.43Å; R203-M208 PolarHBondContact O-N 3.29Å
204	E	96.3	Very high	97.2	Very high	157 Å²	157	53.2 Å²	53.2	73%	0.734	26%	0.256	S	S	*	.	H	α-helix	trans	-68.4	-47.8	175.7	-172.8	174.2	-177.2	0	0	111.3	P200 L206 N207	P200-E204 WeakPolarHBondContact O-CB 3.2Å; P200-E204 PolarHBondContact O-N 3.17Å; E204-L206 PolarHBondContact O-N 3.24Å; E204-N207 PolarHBondContact O-N 2.94Å
205	F	96.1	Very high	97.2	Very high	138 Å²	138	56.5 Å²	56.5	61%	0.605	27%	0.271	S	S	*	.	H	α-helix	trans	-60.3	-42.8	-179.2	175.9	-104.5	0	0	0	113.5	L201 K202 N207	L201-F205 WeakPolarHBondContact O-CB 3.44Å; L201-F205 PolarHBondContact O-N 3.31Å; K202-F205 PolarHBondContact O-N 2.71Å; F205-N207 VanDerWaalsContact C-N 3.31Å
206	L	95.4	Very high	97.3	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.8	177.3	-67.4	173.4	0	0	0	113	Y173 R176 L177 I196 K202 E204 M208	Y173-L206 HydrophobicContact CD1-CD2 4.37Å; R176-L206 HydrophobicContact CB-CD2 3.82Å; L177-L206 HydrophobicContact CD1-CD1 4.17Å; I196-L206 HydrophobicContact CG2-CD1 4.36Å; K202-L206 WeakPolarHBondContact O-CB 3.48Å; K202-L206 PolarHBondContact O-N 2.9Å; E204-L206 PolarHBondContact O-N 3.24Å; L206-M208 HydrophobicContact CB-CE 4.35Å; L206-M208 HydrophobicContact CB-CG 3.58Å; L206-M208 HydrophobicContact CB-SD 4.03Å; L206-M208 HydrophobicContact CD1-CE 4.25Å; L206-M208 HydrophobicContact CD1-SD 4Å; L206-M208 PolarHBondContact O-N 3.36Å
207	N	97.5	Very high	97.3	Very high	58 Å²	58	50.4 Å²	50.4	31%	0.31	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	44	59.6	-175.3	-171.2	17.5	0	0	0	112.3	H132 K133 V134 R203 E204 F205	H132-N207 PolarHBondContact CD2-OD1 3.29Å; K133-N207 HydrophobicContact CB-CB 4.07Å; K133-N207 HydrophobicContact CG-CB 3.81Å; K133-N207 PolarHBondContact N-O 3.21Å; V134-N207 PolarHBondContact N-O 3.23Å; R203-N207 WeakPolarHBondContact O-CA 3.27Å; R203-N207 PolarHBondContact O-N 3.16Å; R203-N207 VanDerWaalsContact O-N 3.08Å; E204-N207 PolarHBondContact O-N 2.94Å; F205-N207 VanDerWaalsContact C-N 3.31Å
208	M	97.8	Very high	97.4	Very high	8 Å²	8	50 Å²	50	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	145	-175.5	-52.4	-174.4	-75.4	0	0	112.4	V134 F136 L177 I196 Y197 R203 L206	V134-M208 HydrophobicContact CB-CG 4.16Å; V134-M208 VanDerWaalsContact O-CA 3.3Å; V134-M208 WeakPolarHBondContact O-CA 3.24Å; F136-M208 HydrophobicContact CE2-SD 3.98Å; L177-M208 HydrophobicContact CD1-SD 3.74Å; I196-M208 HydrophobicContact CG2-CE 3.88Å; I196-M208 HydrophobicContact CG2-SD 4.39Å; Y197-M208 HydrophobicContact CD2-CB 4.12Å; Y197-M208 HydrophobicContact CD2-CE 4.46Å; Y197-M208 HydrophobicContact CE2-CB 4.34Å; R203-M208 VanDerWaalsContact CA-CE 3.45Å; R203-M208 HydrophobicContact CB-CE 4.05Å; R203-M208 HydrophobicContact CG-CB 4.27Å; R203-M208 HydrophobicContact CG-CE 4.43Å; R203-M208 PolarHBondContact O-N 3.29Å; L206-M208 HydrophobicContact CB-CE 4.35Å; L206-M208 HydrophobicContact CB-CG 3.58Å; L206-M208 HydrophobicContact CB-SD 4.03Å; L206-M208 HydrophobicContact CD1-CE 4.25Å; L206-M208 HydrophobicContact CD1-SD 4Å; L206-M208 PolarHBondContact O-N 3.36Å
209	T	97.8	Very high	97.4	Very high	20 Å²	20	49.2 Å²	49.2	12%	0.123	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	174.1	171.8	-161.9	0	0	0	0	112.2	H132 V134 L135 F136	H132-T209 HydrophobicContact CB-CG2 3.67Å; H132-T209 VanDerWaalsContact CD2-CB 3.47Å; H132-T209 WeakPolarHBondContact CD2-CB 3.48Å; H132-T209 WeakPolarHBondContact ND1-CG2 3.5Å; V134-T209 PolarHBondContact O-N 3.23Å; L135-T209 WeakPolarHBondContact CA-O 3.26Å; L135-T209 HydrophobicContact CB-CG2 3.99Å; L135-T209 HydrophobicContact CD1-CG2 3.74Å; L135-T209 HydrophobicContact CG-CG2 3.91Å; F136-T209 PolarHBondContact N-O 2.96Å
210	L	98.4	Very high	97.3	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.8	171.3	-40.4	178.2	0	0	0	110.6	F136 A138 Y152 R160 L162 Y197 H212	F136-L210 HydrophobicContact CB-CD2 3.78Å; F136-L210 HydrophobicContact CG-CD2 4.47Å; F136-L210 CarbonylContact O-C 3.57Å; F136-L210 WeakPolarHBondContact O-CA 3.49Å; A138-L210 HydrophobicContact CB-CB 3.95Å; Y152-L210 HydrophobicContact CD1-CD1 4.46Å; Y152-L210 HydrophobicContact CE1-CD1 4.22Å; R160-L210 VanDerWaalsContact O-CD1 3.31Å; R160-L210 WeakPolarHBondContact O-CD1 3.25Å; L162-L210 HydrophobicContact CB-CD1 4.4Å; L162-L210 HydrophobicContact CB-CD2 3.9Å; L162-L210 HydrophobicContact CD1-CD2 3.98Å; L162-L210 HydrophobicContact CG-CD2 4.08Å; Y197-L210 HydrophobicContact CD1-CD2 4.31Å; Y197-L210 HydrophobicContact CD2-CD2 4.01Å; Y197-L210 HydrophobicContact CE1-CD1 3.92Å; Y197-L210 HydrophobicContact CE1-CD2 4.04Å; Y197-L210 HydrophobicContact CE1-CG 4.01Å; Y197-L210 HydrophobicContact CE2-CD2 3.72Å; Y197-L210 HydrophobicContact CE2-CG 4.03Å; Y197-L210 HydrophobicContact CG-CD2 4.31Å; L210-H212 PolarHBondContact O-CD2 3.34Å; L210-H212 PolarHBondContact O-N 3.4Å
211	D	98.3	Very high	97.1	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.059	21%	0.213	C	C	.	.			trans	-75.9	66	174.3	-170.5	12.9	0	0	0	112.7	L135 F136 A138 K213 C214 Q215 I216 F217	L135-D211 HydrophobicContact CD2-CB 3.89Å; L135-D211 HydrophobicContact CG-CB 4.5Å; F136-D211 PolarHBondContact O-N 2.97Å; A138-D211 WeakPolarHBondContact CB-O 3.38Å; D211-K213 PolarHBondContact O-N 2.75Å; D211-C214 PolarHBondContact O-N 2.95Å; D211-C214 VanDerWaalsContact O-N 3.1Å; D211-C214 PolarHBondContact OD1-N 3.33Å; D211-C214 WeakPolarHBondContact OD2-CA 3.41Å; D211-Q215 VanDerWaalsContact CG-N 3.32Å; D211-Q215 PolarHBondContact OD1-N 2.83Å; D211-Q215 PolarHBondContact OD2-N 3.16Å; D211-I216 WeakPolarHBondContact OD2-CA 3.42Å; D211-I216 PolarHBondContact OD2-N 2.97Å; D211-F217 HydrophobicContact CB-CD2 4.21Å; D211-F217 PolarHBondContact OD2-N 3.01Å
212	H	97.8	Very high	96.8	Very high	43 Å²	43	41.1 Å²	41.1	20%	0.199	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.1	-171.2	-60.1	-60.3	0	0	0	114.2	G158 K159 L210	G158-H212 CarbonylContact C-O 3.5Å; G158-H212 WeakPolarHBondContact CA-O 3.3Å; K159-H212 PolarHBondContact N-O 3.44Å; K159-H212 PolarHBondContact O-ND1 3.29Å; L210-H212 PolarHBondContact O-CD2 3.34Å; L210-H212 PolarHBondContact O-N 3.4Å
213	K	97.1	Very high	96.7	Very high	105 Å²	105	37.5 Å²	37.5	46%	0.457	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	21.1	-175.8	-66.2	-174.7	177.8	-178.6	0	113	D211 Q215 Y243 S245	D211-K213 PolarHBondContact O-N 2.75Å; K213-Q215 VanDerWaalsContact C-N 3.26Å; K213-Q215 HydrophobicContact CB-CG 4.43Å; K213-Q215 PolarHBondContact O-N 2.94Å; K213-Q215 PolarHBondContact O-NE2 2.96Å; K213-Y243 HydrophobicContact CB-CD1 4.44Å; K213-Y243 HydrophobicContact CB-CG 4.14Å; K213-Y243 HydrophobicContact CG-CD1 4.18Å; K213-Y243 HydrophobicContact CG-CG 4.38Å; K213-S245 PolarHBondContact O-OG 3.15Å
214	C	97.6	Very high	96.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.			trans	49.2	45.8	175.7	-54.8	0	0	0	0	112.5	D211 F217 S245	D211-C214 PolarHBondContact O-N 2.95Å; D211-C214 VanDerWaalsContact O-N 3.1Å; D211-C214 PolarHBondContact OD1-N 3.33Å; D211-C214 WeakPolarHBondContact OD2-CA 3.41Å; C214-F217 VanDerWaalsContact CA-O 3.27Å; C214-F217 WeakPolarHBondContact CA-O 3.26Å; C214-F217 VanDerWaalsContact CB-O 3.3Å; C214-F217 WeakPolarHBondContact CB-O 3.3Å; C214-S245 WeakPolarHBondContact O-CB 3.26Å; C214-S245 PolarHBondContact O-OG 2.77Å
215	Q	97.8	Very high	96.4	Very high	73 Å²	73	36.4 Å²	36.4	34%	0.341	19%	0.193	S	C	.	.	S	Bend	trans	-74.8	-39.9	179.6	-64.4	-60.8	-46.6	0	0	110.9	K126 D211 K213	K126-Q215 VanDerWaalsContact CD-O 3.27Å; K126-Q215 WeakPolarHBondContact CD-O 3.36Å; K126-Q215 WeakPolarHBondContact CE-O 3.2Å; K126-Q215 PolarHBondContact NZ-O 2.72Å; D211-Q215 VanDerWaalsContact CG-N 3.32Å; D211-Q215 PolarHBondContact OD1-N 2.83Å; D211-Q215 PolarHBondContact OD2-N 3.16Å; K213-Q215 VanDerWaalsContact C-N 3.26Å; K213-Q215 HydrophobicContact CB-CG 4.43Å; K213-Q215 PolarHBondContact O-N 2.94Å; K213-Q215 PolarHBondContact O-NE2 2.96Å
216	I	98.5	Very high	96.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	-103.9	-53.2	178.7	-61.9	175.8	0	0	0	109.7	I123 K126 F127 L135 I168 D211 V248 V249	I123-I216 HydrophobicContact CD1-CG2 3.54Å; I123-I216 HydrophobicContact CG1-CD1 4.48Å; I123-I216 HydrophobicContact CG1-CG2 3.72Å; K126-I216 HydrophobicContact CB-CD1 3.94Å; K126-I216 HydrophobicContact CB-CG1 3.63Å; K126-I216 HydrophobicContact CD-CG1 4.18Å; F127-I216 HydrophobicContact CB-CD1 4.16Å; L135-I216 HydrophobicContact CD2-CD1 4.14Å; I168-I216 HydrophobicContact CG2-CD1 4.35Å; D211-I216 WeakPolarHBondContact OD2-CA 3.42Å; D211-I216 PolarHBondContact OD2-N 2.97Å; I216-V248 PolarHBondContact O-N 2.88Å; I216-V249 PolarHBondContact O-N 2.74Å
217	F	98.6	Very high	96.4	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.013	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.7	-170.2	-57.9	-77.6	0	0	0	112.1	L107 V109 L135 A137 I168 D211 C214 V249	L107-F217 HydrophobicContact CD1-CE1 3.82Å; L107-F217 HydrophobicContact CD1-CZ 3.66Å; V109-F217 HydrophobicContact CG1-CE1 4.17Å; L135-F217 HydrophobicContact CD2-CD2 3.91Å; L135-F217 HydrophobicContact CD2-CE2 3.57Å; A137-F217 HydrophobicContact CB-CB 3.57Å; A137-F217 HydrophobicContact CB-CD1 4.16Å; A137-F217 HydrophobicContact CB-CD2 3.93Å; A137-F217 HydrophobicContact CB-CG 3.64Å; I168-F217 HydrophobicContact CB-CZ 4.28Å; I168-F217 HydrophobicContact CG2-CE2 3.93Å; I168-F217 HydrophobicContact CG2-CZ 4.1Å; D211-F217 HydrophobicContact CB-CD2 4.21Å; D211-F217 PolarHBondContact OD2-N 3.01Å; C214-F217 VanDerWaalsContact CA-O 3.27Å; C214-F217 WeakPolarHBondContact CA-O 3.26Å; C214-F217 VanDerWaalsContact CB-O 3.3Å; C214-F217 WeakPolarHBondContact CB-O 3.3Å; F217-V249 HydrophobicContact CD1-CB 3.78Å; F217-V249 HydrophobicContact CD1-CG1 3.89Å; F217-V249 HydrophobicContact CD1-CG2 4.2Å; F217-V249 HydrophobicContact CE1-CB 4.25Å; F217-V249 HydrophobicContact CE1-CG1 4.35Å; F217-V249 HydrophobicContact CE1-CG2 4.18Å
218	Q	98.4	Very high	96.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	101.3	169.3	178.8	65.7	65.1	0	0	110	L220 V227 V238 N240 P247 V249 H251	Q218-L220 HydrophobicContact CG-CD2 4.08Å; Q218-V227 HydrophobicContact CG-CG2 3.79Å; Q218-V238 HydrophobicContact CG-CG1 4.41Å; Q218-N240 PolarHBondContact OE1-ND2 2.95Å; Q218-P247 HydrophobicContact CB-CB 3.59Å; Q218-P247 HydrophobicContact CB-CG 3.56Å; Q218-P247 HydrophobicContact CG-CG 4.25Å; Q218-V249 PolarHBondContact N-O 2.9Å; Q218-H251 PolarHBondContact O-N 3.27Å
219	N	98	Very high	96.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.7	165.3	-65.6	-52.3	0	0	0	108.7	A138 E139 N163 H251 N253	A138-N219 PolarHBondContact O-ND2 2.67Å; E139-N219 HydrophobicContact CB-CB 4.28Å; N163-N219 WeakPolarHBondContact CB-ND2 3.21Å; N163-N219 PolarHBondContact OD1-OD1 3.11Å; N219-H251 WeakPolarHBondContact OD1-CB 3.47Å; N219-H251 PolarHBondContact OD1-ND1 3.13Å; N219-N253 WeakPolarHBondContact CB-OD1 3.45Å
220	L	96	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.			trans	-83.1	-27.1	-175.5	-65.3	179.6	0	0	0	112.4	Q218 G222 A223 V224 V227 V250 H251 N253 T256 Y259 L260 L263	Q218-L220 HydrophobicContact CG-CD2 4.08Å; L220-G222 PolarHBondContact O-N 3.31Å; L220-G222 VanDerWaalsContact O-N 3.16Å; L220-A223 CarbonylContact O-C 3.59Å; L220-A223 PolarHBondContact O-N 3.07Å; L220-V224 WeakPolarHBondContact O-CG2 3.26Å; L220-V224 PolarHBondContact O-N 2.89Å; L220-V227 HydrophobicContact CD2-CB 4.42Å; L220-V227 HydrophobicContact CD2-CG1 4.26Å; L220-V227 HydrophobicContact CD2-CG2 3.95Å; L220-V250 HydrophobicContact CD1-CG1 4.13Å; L220-V250 HydrophobicContact CD2-CG1 4.03Å; L220-V250 HydrophobicContact CG-CG1 4.13Å; L220-H251 WeakPolarHBondContact CG-O 3.36Å; L220-H251 PolarHBondContact N-O 3.33Å; L220-N253 PolarHBondContact N-OD1 3.3Å; L220-N253 VanDerWaalsContact N-OD1 3.1Å; L220-T256 HydrophobicContact CB-CG2 4.02Å; L220-T256 WeakPolarHBondContact CB-OG1 3.17Å; L220-Y259 HydrophobicContact CD1-CD1 4.09Å; L220-Y259 HydrophobicContact CD2-CD1 4.33Å; L220-Y259 HydrophobicContact CD2-CE1 4.48Å; L220-L260 HydrophobicContact CD1-CB 4.03Å; L220-L260 HydrophobicContact CD1-CD1 4.21Å; L220-L263 HydrophobicContact CD1-CD1 3.98Å; L220-L263 HydrophobicContact CD2-CD1 4.15Å
221	N	91.7	Very high	95.9	Very high	50 Å²	50	39.2 Å²	39.2	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	118.4	-179.1	-164.8	28.1	0	0	0	111.6	A223 N253 T256	N221-A223 VanDerWaalsContact C-N 3.31Å; N221-N253 WeakPolarHBondContact CB-ND2 3.27Å; N221-N253 WeakPolarHBondContact CB-OD1 3.06Å; N221-N253 PolarHBondContact N-OD1 3.16Å; N221-T256 HydrophobicContact CB-CG2 4.37Å
222	G	90.9	Very high	95.5	Very high	46 Å²	46	40.8 Å²	40.8	47%	0.474	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	21.8	-174.5	0	0	0	0	0	114.9	L220	L220-G222 PolarHBondContact O-N 3.31Å; L220-G222 VanDerWaalsContact O-N 3.16Å
223	A	94.9	Very high	94.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	24%	0.243	C	C	.	.			trans	-147.4	17.8	177.1	0	0	0	0	0	113.6	L220 N221 D225 E226	L220-A223 CarbonylContact O-C 3.59Å; L220-A223 PolarHBondContact O-N 3.07Å; N221-A223 VanDerWaalsContact C-N 3.31Å; A223-D225 VanDerWaalsContact C-N 3.28Å; A223-D225 PolarHBondContact O-N 3.13Å; A223-E226 HydrophobicContact CB-CG 4.48Å; A223-E226 WeakPolarHBondContact O-CB 3.47Å; A223-E226 PolarHBondContact O-N 2.88Å; A223-E226 VanDerWaalsContact O-N 3.14Å
224	V	92.4	Very high	93.8	Very high	56 Å²	56	43.5 Å²	43.5	34%	0.339	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-60.8	-39.3	-178.9	172.2	0	0	0	0	111.4	L220 E226 V227 T256 Y259	L220-V224 WeakPolarHBondContact O-CG2 3.26Å; L220-V224 PolarHBondContact O-N 2.89Å; V224-E226 PolarHBondContact O-N 2.91Å; V224-V227 PolarHBondContact O-N 3.06Å; V224-T256 HydrophobicContact CG2-CG2 3.86Å; V224-Y259 HydrophobicContact CB-CD1 4.42Å; V224-Y259 HydrophobicContact CG1-CD1 3.78Å; V224-Y259 HydrophobicContact CG1-CD2 4.33Å; V224-Y259 HydrophobicContact CG1-CE1 3.78Å; V224-Y259 HydrophobicContact CG1-CE2 4.33Å; V224-Y259 HydrophobicContact CG1-CG 4.08Å; V224-Y259 HydrophobicContact CG2-CD1 4.17Å
225	D	93.1	Very high	93.4	Very high	138 Å²	138	47.6 Å²	47.6	74%	0.738	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-71.2	-14.9	177.6	59	-38.4	0	0	0	114	A223	A223-D225 VanDerWaalsContact C-N 3.28Å; A223-D225 PolarHBondContact O-N 3.13Å
226	E	95.4	Very high	93.3	Very high	31 Å²	31	44.1 Å²	44.1	15%	0.145	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-89	-7	175.9	-56.6	177.8	-179.1	0	0	112.5	K159 A223 V224 N240 T241 A242	K159-E226 WeakPolarHBondContact CE-OE2 3.38Å; K159-E226 IonicContact NZ-OE1 3.09Å; K159-E226 PolarHBondContact NZ-OE1 3.49Å; K159-E226 IonicContact NZ-OE2 3.64Å; K159-E226 PolarHBondContact NZ-OE2 3.14Å; A223-E226 HydrophobicContact CB-CG 4.48Å; A223-E226 WeakPolarHBondContact O-CB 3.47Å; A223-E226 PolarHBondContact O-N 2.88Å; A223-E226 VanDerWaalsContact O-N 3.14Å; V224-E226 PolarHBondContact O-N 2.91Å; E226-N240 CarbonylContact O-C 3.53Å; E226-N240 VanDerWaalsContact O-CA 3.26Å; E226-N240 WeakPolarHBondContact O-CA 3.4Å; E226-N240 PolarHBondContact OE2-ND2 3.01Å; E226-T241 PolarHBondContact O-N 3.49Å; E226-T241 PolarHBondContact O-OG1 3.07Å; E226-T241 VanDerWaalsContact O-OG1 3.13Å; E226-A242 HydrophobicContact CB-CB 4.28Å; E226-A242 HydrophobicContact CG-CB 3.98Å
227	V	96.3	Very high	93.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129	-168.4	164	0	0	0	0	111	Q218 L220 V224 V238 Y259 L263	Q218-V227 HydrophobicContact CG-CG2 3.79Å; L220-V227 HydrophobicContact CD2-CB 4.42Å; L220-V227 HydrophobicContact CD2-CG1 4.26Å; L220-V227 HydrophobicContact CD2-CG2 3.95Å; V224-V227 PolarHBondContact O-N 3.06Å; V227-V238 HydrophobicContact CB-CG1 4.36Å; V227-V238 HydrophobicContact CG1-CG1 3.56Å; V227-V238 HydrophobicContact CG1-CG2 4.3Å; V227-V238 HydrophobicContact CG2-CG1 4.09Å; V227-Y259 HydrophobicContact CB-CE1 4.31Å; V227-Y259 HydrophobicContact CG1-CE1 3.94Å; V227-Y259 PolarHBondContact O-OH 3.14Å; V227-L263 HydrophobicContact CG1-CD1 4.07Å; V227-L263 HydrophobicContact CG1-CD2 4.34Å
228	L	95.7	Very high	93.1	Very high	79 Å²	79	44.9 Å²	44.9	41%	0.414	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.7	171.8	-64.8	176.3	0	0	0	111.1	R239 T241	L228-R239 PolarHBondContact N-O 2.67Å; L228-R239 VanDerWaalsContact N-O 3.07Å; L228-R239 PolarHBondContact O-N 3.28Å; L228-T241 HydrophobicContact CD1-CG2 3.74Å; L228-T241 HydrophobicContact CG-CG2 4.1Å
229	L	96.6	Very high	93.1	Very high	27 Å²	27	49.5 Å²	49.5	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.8	167.7	-69.2	173.7	0	0	0	110	F231 V236 Y262 L263 Y266 V267	L229-F231 HydrophobicContact CB-CD2 4.46Å; L229-F231 HydrophobicContact CB-CE2 3.88Å; L229-F231 HydrophobicContact CB-CZ 4.41Å; L229-F231 HydrophobicContact CD1-CE2 4.37Å; L229-F231 HydrophobicContact CD1-CZ 4.2Å; L229-V236 HydrophobicContact CB-CG1 4.25Å; L229-V236 HydrophobicContact CD2-CG1 3.87Å; L229-Y262 HydrophobicContact CD1-CE1 4.03Å; L229-Y262 WeakPolarHBondContact CD1-OH 3.46Å; L229-Y262 HydrophobicContact CG-CE1 4.37Å; L229-L263 HydrophobicContact CD2-CD2 3.6Å; L229-L263 HydrophobicContact CG-CD2 3.96Å; L229-Y266 HydrophobicContact CD1-CD1 4.28Å; L229-Y266 HydrophobicContact CD1-CD2 3.42Å; L229-Y266 VanDerWaalsContact CD1-CD2 3.42Å; L229-Y266 HydrophobicContact CD1-CE2 3.82Å; L229-Y266 HydrophobicContact CD1-CG 3.68Å; L229-Y266 HydrophobicContact CD2-CD2 4.47Å; L229-Y266 HydrophobicContact CD2-CG 4.47Å; L229-V267 HydrophobicContact CD2-CG2 3.77Å
230	K	95.8	Very high	93	Very high	91 Å²	91	49.3 Å²	49.3	40%	0.396	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105.4	171.2	-177	-177.3	179	-177.3	0	108.6	G232 R237 R239 L246	K230-G232 PolarHBondContact O-N 3.22Å; K230-R237 PolarHBondContact N-O 3.28Å; K230-R237 PolarHBondContact O-N 3.1Å; K230-R239 HydrophobicContact CB-CB 4.19Å; K230-L246 HydrophobicContact CD-CD2 3.68Å
231	F	94	Very high	93.1	Very high	62 Å²	62	52.6 Å²	52.6	27%	0.272	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.8	173.6	-66.1	-92.3	0	0	0	109.6	L229 V236 Y266 W271 Y273	L229-F231 HydrophobicContact CB-CD2 4.46Å; L229-F231 HydrophobicContact CB-CE2 3.88Å; L229-F231 HydrophobicContact CB-CZ 4.41Å; L229-F231 HydrophobicContact CD1-CE2 4.37Å; L229-F231 HydrophobicContact CD1-CZ 4.2Å; F231-V236 HydrophobicContact CD1-CG1 4.18Å; F231-V236 HydrophobicContact CD1-CG2 3.55Å; F231-V236 HydrophobicContact CE1-CG1 4.2Å; F231-V236 HydrophobicContact CE1-CG2 3.76Å; F231-V236 HydrophobicContact CG-CG1 4.43Å; F231-V236 HydrophobicContact CG-CG2 4.39Å; F231-V236 HydrophobicContact CZ-CG1 4.48Å; F231-Y266 AromaticContact CE1-CD1 3.88Å; F231-Y266 HydrophobicContact CE1-CD1 3.88Å; F231-Y266 HydrophobicContact CE1-CE1 4.3Å; F231-Y266 AromaticContact CZ-CD1 3.88Å; F231-Y266 HydrophobicContact CZ-CD1 3.88Å; F231-Y266 HydrophobicContact CZ-CE1 4.06Å; F231-W271 AromaticContact CE1-CE3 3.96Å; F231-W271 HydrophobicContact CE1-CE3 3.96Å; F231-W271 AromaticContact CE1-CZ3 3.76Å; F231-W271 HydrophobicContact CE1-CZ3 3.76Å; F231-W271 HydrophobicContact CZ-CZ3 4.4Å; F231-Y273 HydrophobicContact CB-CD2 4.21Å; F231-Y273 HydrophobicContact CB-CE2 4.12Å; F231-Y273 AromaticContact CD1-CD2 3.71Å; F231-Y273 HydrophobicContact CD1-CD2 3.71Å; F231-Y273 AromaticContact CD1-CE2 3.52Å; F231-Y273 HydrophobicContact CD1-CE2 3.52Å; F231-Y273 HydrophobicContact CD2-CE2 4Å; F231-Y273 HydrophobicContact CE1-CD2 4.32Å; F231-Y273 AromaticContact CE1-CE2 3.89Å; F231-Y273 HydrophobicContact CE1-CE2 3.89Å; F231-Y273 HydrophobicContact CE2-CE2 4.33Å; F231-Y273 HydrophobicContact CG-CD2 4Å; F231-Y273 AromaticContact CG-CE2 3.59Å; F231-Y273 HydrophobicContact CG-CE2 3.59Å; F231-Y273 HydrophobicContact CZ-CE2 4.28Å
232	G	88	Confident	93.3	Very high	43 Å²	43	53 Å²	53	44%	0.443	30%	0.296	S	S	.	.			trans	-94.5	-171.8	165.1	0	0	0	0	0	111	K230 R235	K230-G232 PolarHBondContact O-N 3.22Å; G232-R235 WeakPolarHBondContact CA-O 3.41Å; G232-R235 PolarHBondContact N-O 3.1Å
233	T	79.8	Confident	93.5	Very high	100 Å²	100	53 Å²	53	61%	0.613	28%	0.283	S	S	*	.	S	Bend	trans	-67.4	-58.2	172	51.6	0	0	0	0	109.9
234	D	80.5	Confident	93.6	Very high	106 Å²	106	58.1 Å²	58.1	57%	0.567	31%	0.31	S	S	*	.	S	Bend	trans	-97.6	-17.3	-167.4	-43.3	-13.9	0	0	0	112.9
235	R	89.9	Confident	93.8	Very high	85 Å²	85	55.5 Å²	55.5	32%	0.321	29%	0.294	S	S	.	.			trans	-154.6	154.2	-173.2	65.8	-175.7	-179	-169.2	3.2	112.8	G232 P268	G232-R235 WeakPolarHBondContact CA-O 3.41Å; G232-R235 PolarHBondContact N-O 3.1Å; R235-P268 CarbonylContact C-O 3.45Å; R235-P268 VanDerWaalsContact CA-O 3.29Å; R235-P268 WeakPolarHBondContact CA-O 3.4Å; R235-P268 VanDerWaalsContact CB-O 3.25Å; R235-P268 WeakPolarHBondContact CB-O 3.35Å
236	V	95.8	Very high	94	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139	171.3	-169.4	0	0	0	0	109.4	L229 F231 V267 P268 W271 N272	L229-V236 HydrophobicContact CB-CG1 4.25Å; L229-V236 HydrophobicContact CD2-CG1 3.87Å; F231-V236 HydrophobicContact CD1-CG1 4.18Å; F231-V236 HydrophobicContact CD1-CG2 3.55Å; F231-V236 HydrophobicContact CE1-CG1 4.2Å; F231-V236 HydrophobicContact CE1-CG2 3.76Å; F231-V236 HydrophobicContact CG-CG1 4.43Å; F231-V236 HydrophobicContact CG-CG2 4.39Å; F231-V236 HydrophobicContact CZ-CG1 4.48Å; V236-V267 HydrophobicContact CB-CG2 4.41Å; V236-V267 HydrophobicContact CG1-CG2 4.19Å; V236-P268 PolarHBondContact N-O 3.04Å; V236-P268 WeakPolarHBondContact O-CA 3.39Å; V236-W271 VanDerWaalsContact CG2-O 3.26Å; V236-W271 WeakPolarHBondContact CG2-O 3.36Å; V236-N272 HydrophobicContact CG2-CB 4.15Å
237	R	95.6	Very high	94.2	Very high	21 Å²	21	49.7 Å²	49.7	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	167	176.1	-63	-165.5	66.7	173.8	2.4	111.3	A117 E122 K230 L246 P247	A117-R237 WeakPolarHBondContact O-CD 3.47Å; A117-R237 VanDerWaalsContact O-CZ 3.32Å; A117-R237 PolarHBondContact O-NE 3.07Å; A117-R237 PolarHBondContact O-NH2 3.15Å; E122-R237 VanDerWaalsContact CD-NH1 3.33Å; E122-R237 IonicContact OE1-CZ 3.72Å; E122-R237 IonicContact OE1-NH1 2.91Å; E122-R237 PolarHBondContact OE1-NH1 2.81Å; E122-R237 VanDerWaalsContact OE1-NH1 3.07Å; E122-R237 IonicContact OE1-NH2 3.85Å; E122-R237 PolarHBondContact OE1-NH2 2.96Å; E122-R237 IonicContact OE2-CZ 3.21Å; E122-R237 IonicContact OE2-NH1 2.7Å; E122-R237 PolarHBondContact OE2-NH1 2.85Å; E122-R237 IonicContact OE2-NH2 3.74Å; E122-R237 PolarHBondContact OE2-NH2 3.47Å; K230-R237 PolarHBondContact N-O 3.28Å; K230-R237 PolarHBondContact O-N 3.1Å; R237-L246 PolarHBondContact NH2-O 2.59Å; R237-L246 VanDerWaalsContact NH2-O 3.15Å; R237-P247 PolarHBondContact NH2-O 2.83Å
238	V	96.6	Very high	94.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.4	162.3	166.4	0	0	0	0	109.4	Q218 V227 P247 V250 L263 V267	Q218-V238 HydrophobicContact CG-CG1 4.41Å; V227-V238 HydrophobicContact CB-CG1 4.36Å; V227-V238 HydrophobicContact CG1-CG1 3.56Å; V227-V238 HydrophobicContact CG1-CG2 4.3Å; V227-V238 HydrophobicContact CG2-CG1 4.09Å; V238-P247 HydrophobicContact CG1-CG 4.44Å; V238-P247 WeakPolarHBondContact O-CD 3.32Å; V238-V250 HydrophobicContact CB-CG2 3.94Å; V238-V250 HydrophobicContact CG1-CG2 4.43Å; V238-V250 HydrophobicContact CG2-CG1 4.42Å; V238-V250 HydrophobicContact CG2-CG2 3.79Å; V238-L263 HydrophobicContact CG2-CD1 4Å; V238-L263 HydrophobicContact CG2-CD2 4.18Å; V238-V267 HydrophobicContact CG2-CG2 4.34Å
239	R	97.3	Very high	94.4	Very high	99 Å²	99	45.9 Å²	45.9	37%	0.374	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.2	167	-175.4	-177.7	-170.1	177	-2	109.1	L228 K230 N244 S245 L246	L228-R239 PolarHBondContact N-O 2.67Å; L228-R239 VanDerWaalsContact N-O 3.07Å; L228-R239 PolarHBondContact O-N 3.28Å; K230-R239 HydrophobicContact CB-CB 4.19Å; R239-N244 VanDerWaalsContact CZ-OD1 3.3Å; R239-N244 PolarHBondContact NE-OD1 3.48Å; R239-N244 VanDerWaalsContact NE-OD1 3.12Å; R239-N244 PolarHBondContact NH2-OD1 3.13Å; R239-S245 WeakPolarHBondContact CA-O 3.49Å; R239-L246 HydrophobicContact CB-CD2 3.95Å; R239-L246 HydrophobicContact CG-CD2 4.1Å
240	N	97.7	Very high	94.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	117.2	165.1	-174.6	-65.8	0	0	0	108.4	Q218 E226 A242 Y243 N244 S245	Q218-N240 PolarHBondContact OE1-ND2 2.95Å; E226-N240 CarbonylContact O-C 3.53Å; E226-N240 VanDerWaalsContact O-CA 3.26Å; E226-N240 WeakPolarHBondContact O-CA 3.4Å; E226-N240 PolarHBondContact OE2-ND2 3.01Å; N240-A242 WeakPolarHBondContact OD1-CB 3.4Å; N240-A242 PolarHBondContact OD1-N 2.79Å; N240-Y243 VanDerWaalsContact OD1-CD2 3.3Å; N240-Y243 WeakPolarHBondContact OD1-CD2 3.39Å; N240-Y243 PolarHBondContact OD1-N 3.29Å; N240-N244 CarbonylContact O-C 3.58Å; N240-N244 WeakPolarHBondContact O-CA 3.28Å; N240-N244 PolarHBondContact O-N 3.24Å; N240-S245 WeakPolarHBondContact CB-OG 3.46Å; N240-S245 PolarHBondContact N-O 3.08Å; N240-S245 PolarHBondContact O-N 2.86Å; N240-S245 VanDerWaalsContact O-N 3.17Å
241	T	97.1	Very high	94.6	Very high	69 Å²	69	40.6 Å²	40.6	42%	0.423	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-30.3	-176.9	57.2	0	0	0	0	112.4	E226 L228	E226-T241 PolarHBondContact O-N 3.49Å; E226-T241 PolarHBondContact O-OG1 3.07Å; E226-T241 VanDerWaalsContact O-OG1 3.13Å; L228-T241 HydrophobicContact CD1-CG2 3.74Å; L228-T241 HydrophobicContact CG-CG2 4.1Å
242	A	96.3	Very high	94.6	Very high	57 Å²	57	37.6 Å²	37.6	47%	0.471	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-38.3	179.9	0	0	0	0	0	112.6	E226 N240	E226-A242 HydrophobicContact CB-CB 4.28Å; E226-A242 HydrophobicContact CG-CB 3.98Å; N240-A242 WeakPolarHBondContact OD1-CB 3.4Å; N240-A242 PolarHBondContact OD1-N 2.79Å
243	Y	95.8	Very high	94.8	Very high	48 Å²	48	36 Å²	36	19%	0.188	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	1.4	-179.2	-49.8	-60.9	0	0	0	113.9	G158 K213 N240 S245	G158-Y243 WeakPolarHBondContact CA-OH 3.36Å; K213-Y243 HydrophobicContact CB-CD1 4.44Å; K213-Y243 HydrophobicContact CB-CG 4.14Å; K213-Y243 HydrophobicContact CG-CD1 4.18Å; K213-Y243 HydrophobicContact CG-CG 4.38Å; N240-Y243 VanDerWaalsContact OD1-CD2 3.3Å; N240-Y243 WeakPolarHBondContact OD1-CD2 3.39Å; N240-Y243 PolarHBondContact OD1-N 3.29Å; Y243-S245 PolarHBondContact O-N 2.87Å
244	N	96.1	Very high	95.1	Very high	107 Å²	107	33.1 Å²	33.1	57%	0.572	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	41.8	-175.4	-169.6	30.5	0	0	0	112.8	R239 N240	R239-N244 VanDerWaalsContact CZ-OD1 3.3Å; R239-N244 PolarHBondContact NE-OD1 3.48Å; R239-N244 VanDerWaalsContact NE-OD1 3.12Å; R239-N244 PolarHBondContact NH2-OD1 3.13Å; N240-N244 CarbonylContact O-C 3.58Å; N240-N244 WeakPolarHBondContact O-CA 3.28Å; N240-N244 PolarHBondContact O-N 3.24Å
245	S	96.8	Very high	95.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-103	160.2	-179.3	74	0	0	0	0	111.7	K213 C214 R239 N240 Y243 P247	K213-S245 PolarHBondContact O-OG 3.15Å; C214-S245 WeakPolarHBondContact O-CB 3.26Å; C214-S245 PolarHBondContact O-OG 2.77Å; R239-S245 WeakPolarHBondContact CA-O 3.49Å; N240-S245 WeakPolarHBondContact CB-OG 3.46Å; N240-S245 PolarHBondContact N-O 3.08Å; N240-S245 PolarHBondContact O-N 2.86Å; N240-S245 VanDerWaalsContact O-N 3.17Å; Y243-S245 PolarHBondContact O-N 2.87Å; S245-P247 WeakPolarHBondContact O-CD 3.42Å
246	L	97.6	Very high	95.2	Very high	46 Å²	46	31.9 Å²	31.9	24%	0.241	18%	0.178	C	C	.	.			trans	-116.2	89.1	169.3	-64.9	176.4	0	0	0	108	K126 K230 R237 R239	K126-L246 PolarHBondContact NZ-O 2.92Å; K230-L246 HydrophobicContact CD-CD2 3.68Å; R237-L246 PolarHBondContact NH2-O 2.59Å; R237-L246 VanDerWaalsContact NH2-O 3.15Å; R239-L246 HydrophobicContact CB-CD2 3.95Å; R239-L246 HydrophobicContact CG-CD2 4.1Å
247	P	98.1	Very high	95	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.			trans	-55.6	148.2	179.7	-22	31.3	0	0	0	112	Q218 R237 V238 S245	Q218-P247 HydrophobicContact CB-CB 3.59Å; Q218-P247 HydrophobicContact CB-CG 3.56Å; Q218-P247 HydrophobicContact CG-CG 4.25Å; R237-P247 PolarHBondContact NH2-O 2.83Å; V238-P247 HydrophobicContact CG1-CG 4.44Å; V238-P247 WeakPolarHBondContact O-CD 3.32Å; S245-P247 WeakPolarHBondContact O-CD 3.42Å
248	V	98.2	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-91.3	-30.8	175	-177.4	0	0	0	0	111	A117 G118 E122 I123 K126 I216	A117-V248 PolarHBondContact N-O 2.63Å; G118-V248 PolarHBondContact N-O 2.7Å; G118-V248 WeakPolarHBondContact O-CG1 3.49Å; E122-V248 HydrophobicContact CB-CG2 4.42Å; E122-V248 HydrophobicContact CG-CG2 3.93Å; E122-V248 WeakPolarHBondContact OE1-CG2 3.23Å; I123-V248 HydrophobicContact CB-CB 4.4Å; I123-V248 HydrophobicContact CB-CG1 3.96Å; I123-V248 HydrophobicContact CB-CG2 4.35Å; I123-V248 HydrophobicContact CD1-CB 4.45Å; I123-V248 HydrophobicContact CD1-CG1 4.2Å; K126-V248 HydrophobicContact CD-CG2 4.06Å; I216-V248 PolarHBondContact O-N 2.88Å
249	V	98.4	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.6	-178.5	174.7	0	0	0	0	108.7	V109 L114 F116 I123 I216 F217 Q218	V109-V249 HydrophobicContact CG1-CG1 4.4Å; L114-V249 HydrophobicContact CD1-CG1 3.49Å; L114-V249 VanDerWaalsContact CD1-CG1 3.49Å; L114-V249 HydrophobicContact CD2-CG1 3.77Å; L114-V249 HydrophobicContact CG-CG1 3.68Å; F116-V249 HydrophobicContact CD1-CG2 3.95Å; F116-V249 HydrophobicContact CE1-CG2 3.82Å; I123-V249 HydrophobicContact CD1-CG2 4.2Å; I216-V249 PolarHBondContact O-N 2.74Å; F217-V249 HydrophobicContact CD1-CB 3.78Å; F217-V249 HydrophobicContact CD1-CG1 3.89Å; F217-V249 HydrophobicContact CD1-CG2 4.2Å; F217-V249 HydrophobicContact CE1-CB 4.25Å; F217-V249 HydrophobicContact CE1-CG1 4.35Å; F217-V249 HydrophobicContact CE1-CG2 4.18Å; Q218-V249 PolarHBondContact N-O 2.9Å
250	V	98.6	Very high	94.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.7	176	-173.7	0	0	0	0	108.5	L114 I115 A117 L220 V238 L260 L263	L114-V250 WeakPolarHBondContact CA-O 3.43Å; I115-V250 HydrophobicContact CD1-CB 4.48Å; I115-V250 HydrophobicContact CG1-CB 3.89Å; I115-V250 HydrophobicContact CG1-CG2 4.48Å; I115-V250 PolarHBondContact N-O 3.43Å; I115-V250 PolarHBondContact O-N 3.19Å; A117-V250 HydrophobicContact CB-CG2 4.18Å; L220-V250 HydrophobicContact CD1-CG1 4.13Å; L220-V250 HydrophobicContact CD2-CG1 4.03Å; L220-V250 HydrophobicContact CG-CG1 4.13Å; V238-V250 HydrophobicContact CB-CG2 3.94Å; V238-V250 HydrophobicContact CG1-CG2 4.43Å; V238-V250 HydrophobicContact CG2-CG1 4.42Å; V238-V250 HydrophobicContact CG2-CG2 3.79Å; V250-L260 HydrophobicContact CB-CD1 4.43Å; V250-L260 HydrophobicContact CG1-CD1 3.92Å; V250-L263 HydrophobicContact CG1-CD1 4.1Å
251	H	97.9	Very high	94.4	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.032	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.1	-173.4	-178.4	-158.7	0	0	0	110.1	D110 D113 L114 N163 Q218 N219 L220 N253	D110-H251 IonicContact OD2-CE1 2.78Å; D110-H251 IonicContact OD2-NE2 3.85Å; D113-H251 PolarHBondContact O-CD2 2.95Å; D113-H251 IonicContact OD1-NE2 3.6Å; D113-H251 IonicContact OD2-CD2 3.87Å; D113-H251 PolarHBondContact OD2-CD2 2.83Å; D113-H251 IonicContact OD2-NE2 3.67Å; D113-H251 PolarHBondContact OD2-NE2 3.25Å; L114-H251 HydrophobicContact CD1-CB 4.12Å; N163-H251 PolarHBondContact OD1-ND1 3.14Å; Q218-H251 PolarHBondContact O-N 3.27Å; N219-H251 WeakPolarHBondContact OD1-CB 3.47Å; N219-H251 PolarHBondContact OD1-ND1 3.13Å; L220-H251 WeakPolarHBondContact CG-O 3.36Å; L220-H251 PolarHBondContact N-O 3.33Å; H251-N253 PolarHBondContact O-N 3.04Å; H251-N253 PolarHBondContact O-OD1 3.26Å
252	G	95.2	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.			trans	-80.6	45	178.4	0	0	0	0	0	113.9	D113 T256 K257	D113-G252 PolarHBondContact O-N 3.06Å; D113-G252 VanDerWaalsContact OD2-C 3.27Å; G252-T256 WeakPolarHBondContact CA-OG1 3.21Å; G252-T256 PolarHBondContact O-OG1 2.96Å; G252-K257 WeakPolarHBondContact O-CD 3.49Å; G252-K257 WeakPolarHBondContact O-CE 3.47Å
253	N	90.9	Very high	94.5	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.053	15%	0.154	C	C	.	.			trans	-59.9	152.9	-174.7	67.4	-44.5	0	0	0	113.2	N163 N219 L220 N221 H251 N255 T256	N163-N253 PolarHBondContact ND2-ND2 3.29Å; N219-N253 WeakPolarHBondContact CB-OD1 3.45Å; L220-N253 PolarHBondContact N-OD1 3.3Å; L220-N253 VanDerWaalsContact N-OD1 3.1Å; N221-N253 WeakPolarHBondContact CB-ND2 3.27Å; N221-N253 WeakPolarHBondContact CB-OD1 3.06Å; N221-N253 PolarHBondContact N-OD1 3.16Å; H251-N253 PolarHBondContact O-N 3.04Å; H251-N253 PolarHBondContact O-OD1 3.26Å; N253-N255 PolarHBondContact O-N 3.34Å; N253-T256 PolarHBondContact N-OG1 3.25Å; N253-T256 PolarHBondContact O-N 3.35Å; N253-T256 PolarHBondContact O-OG1 3.39Å
254	G	86.2	Confident	94.5	Very high	38 Å²	38	27.5 Å²	27.5	39%	0.392	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	59.3	-131.7	-177.9	0	0	0	0	0	112.6	T256 K257	G254-T256 VanDerWaalsContact C-N 3.26Å; G254-T256 PolarHBondContact O-N 2.81Å; G254-K257 WeakPolarHBondContact O-CE 3.31Å
255	N	83.8	Confident	94.6	Very high	153 Å²	153	23.3 Å²	23.3	82%	0.818	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-87.6	21.5	-174.3	-67.4	-14.2	0	0	0	114	N253	N253-N255 PolarHBondContact O-N 3.34Å
256	T	90.1	Very high	94.6	Very high	12 Å²	12	23.2 Å²	23.2	7%	0.074	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-104.9	7.8	-174.3	63.5	0	0	0	0	114.4	L220 N221 V224 G252 N253 G254 M258 Y259 L260	L220-T256 HydrophobicContact CB-CG2 4.02Å; L220-T256 WeakPolarHBondContact CB-OG1 3.17Å; N221-T256 HydrophobicContact CB-CG2 4.37Å; V224-T256 HydrophobicContact CG2-CG2 3.86Å; G252-T256 WeakPolarHBondContact CA-OG1 3.21Å; G252-T256 PolarHBondContact O-OG1 2.96Å; N253-T256 PolarHBondContact N-OG1 3.25Å; N253-T256 PolarHBondContact O-N 3.35Å; N253-T256 PolarHBondContact O-OG1 3.39Å; G254-T256 VanDerWaalsContact C-N 3.26Å; G254-T256 PolarHBondContact O-N 2.81Å; T256-M258 PolarHBondContact O-N 2.98Å; T256-Y259 PolarHBondContact O-N 2.95Å; T256-L260 PolarHBondContact O-N 2.9Å
257	K	90.4	Very high	94.5	Very high	54 Å²	54	21.1 Å²	21.1	24%	0.235	12%	0.117	C	C	.	.	H	α-helix	trans	-51.7	-40.1	178.4	-49.2	-72.4	177.7	158.7	0	112.9	D113 G252 G254 L260 N261 M498	D113-K257 HydrophobicContact CB-CD 3.37Å; D113-K257 VanDerWaalsContact CB-NZ 3.32Å; D113-K257 IonicContact OD1-NZ 2.84Å; D113-K257 PolarHBondContact OD1-NZ 3.1Å; D113-K257 VanDerWaalsContact OD2-CE 3.31Å; D113-K257 WeakPolarHBondContact OD2-CE 3.29Å; D113-K257 IonicContact OD2-NZ 2.75Å; D113-K257 PolarHBondContact OD2-NZ 2.77Å; G252-K257 WeakPolarHBondContact O-CD 3.49Å; G252-K257 WeakPolarHBondContact O-CE 3.47Å; G254-K257 WeakPolarHBondContact O-CE 3.31Å; K257-L260 WeakPolarHBondContact O-CB 3.31Å; K257-L260 PolarHBondContact O-N 3.39Å; K257-N261 PolarHBondContact O-N 3.44Å; K257-N261 PolarHBondContact O-OD1 3.37Å; K257-M498 HydrophobicContact CB-CE 4.03Å; K257-M498 HydrophobicContact CD-CE 3.52Å; K257-M498 HydrophobicContact CG-CE 3.7Å
258	M	90.8	Very high	94.4	Very high	56 Å²	56	21.2 Å²	21.2	28%	0.276	12%	0.117	S	C	.	.	H	α-helix	trans	-67.4	-38.5	178.8	-65.3	-60	121.4	0	0	112.4	T256 L260 N261 Y262 L430 P457 R496	T256-M258 PolarHBondContact O-N 2.98Å; M258-L260 VanDerWaalsContact C-N 3.34Å; M258-N261 WeakPolarHBondContact O-CB 3.34Å; M258-N261 PolarHBondContact O-N 2.72Å; M258-Y262 PolarHBondContact O-N 3.25Å; M258-Y262 VanDerWaalsContact O-N 3.09Å; M258-L430 HydrophobicContact CG-CD1 4.44Å; M258-P457 HydrophobicContact SD-CB 3.95Å; M258-R496 HydrophobicContact CE-CB 4.08Å; M258-R496 HydrophobicContact CE-CG 4.2Å
259	Y	93.2	Very high	94.2	Very high	48 Å²	48	22.2 Å²	22.2	19%	0.188	12%	0.123	C	C	.	.	H	α-helix	trans	-69.8	-35.8	175.6	-168.2	-120.4	0	0	0	111.1	L220 V224 V227 T256 N261 Y262 L263	L220-Y259 HydrophobicContact CD1-CD1 4.09Å; L220-Y259 HydrophobicContact CD2-CD1 4.33Å; L220-Y259 HydrophobicContact CD2-CE1 4.48Å; V224-Y259 HydrophobicContact CB-CD1 4.42Å; V224-Y259 HydrophobicContact CG1-CD1 3.78Å; V224-Y259 HydrophobicContact CG1-CD2 4.33Å; V224-Y259 HydrophobicContact CG1-CE1 3.78Å; V224-Y259 HydrophobicContact CG1-CE2 4.33Å; V224-Y259 HydrophobicContact CG1-CG 4.08Å; V224-Y259 HydrophobicContact CG2-CD1 4.17Å; V227-Y259 HydrophobicContact CB-CE1 4.31Å; V227-Y259 HydrophobicContact CG1-CE1 3.94Å; V227-Y259 PolarHBondContact O-OH 3.14Å; T256-Y259 PolarHBondContact O-N 2.95Å; Y259-N261 VanDerWaalsContact C-N 3.33Å; Y259-N261 PolarHBondContact O-N 3.04Å; Y259-Y262 AromaticContact CD2-CD1 3.92Å; Y259-Y262 HydrophobicContact CD2-CD1 3.92Å; Y259-Y262 AromaticContact CE2-CD1 3.63Å; Y259-Y262 HydrophobicContact CE2-CD1 3.63Å; Y259-Y262 AromaticContact CE2-CE1 3.94Å; Y259-Y262 HydrophobicContact CE2-CE1 3.94Å; Y259-Y262 WeakPolarHBondContact O-CB 3.45Å; Y259-Y262 PolarHBondContact O-N 3.48Å; Y259-L263 HydrophobicContact CD1-CD1 4.14Å; Y259-L263 HydrophobicContact CE1-CD1 4Å; Y259-L263 HydrophobicContact CE1-CD2 4.42Å; Y259-L263 HydrophobicContact CE1-CG 4.31Å; Y259-L263 WeakPolarHBondContact O-CG 3.05Å; Y259-L263 PolarHBondContact O-N 3.35Å
260	L	96.2	Very high	94	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.4	-38.6	169.8	-175.5	72.8	0	0	0	112.4	D113 I115 L220 V250 T256 K257 M258 Y262 L263 G264	D113-L260 VanDerWaalsContact CA-CD2 3.5Å; D113-L260 HydrophobicContact CB-CD2 3.93Å; D113-L260 WeakPolarHBondContact O-CD2 3.42Å; I115-L260 HydrophobicContact CD1-CD1 3.95Å; I115-L260 HydrophobicContact CG1-CD1 3.95Å; L220-L260 HydrophobicContact CD1-CB 4.03Å; L220-L260 HydrophobicContact CD1-CD1 4.21Å; V250-L260 HydrophobicContact CB-CD1 4.43Å; V250-L260 HydrophobicContact CG1-CD1 3.92Å; T256-L260 PolarHBondContact O-N 2.9Å; K257-L260 WeakPolarHBondContact O-CB 3.31Å; K257-L260 PolarHBondContact O-N 3.39Å; M258-L260 VanDerWaalsContact C-N 3.34Å; L260-Y262 VanDerWaalsContact C-N 3.31Å; L260-Y262 PolarHBondContact O-N 3.2Å; L260-L263 PolarHBondContact O-N 2.83Å; L260-G264 PolarHBondContact O-N 2.83Å
261	N	95.4	Very high	93.8	Very high	13 Å²	13	23.5 Å²	23.5	7%	0.07	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-43.3	174	-69.7	-1.7	0	0	0	111.4	R52 K257 M258 Y259 G264 N265	R52-N261 PolarHBondContact NH1-OD1 3.36Å; K257-N261 PolarHBondContact O-N 3.44Å; K257-N261 PolarHBondContact O-OD1 3.37Å; M258-N261 WeakPolarHBondContact O-CB 3.34Å; M258-N261 PolarHBondContact O-N 2.72Å; Y259-N261 VanDerWaalsContact C-N 3.33Å; Y259-N261 PolarHBondContact O-N 3.04Å; N261-G264 PolarHBondContact O-N 3.48Å; N261-N265 PolarHBondContact O-N 3.2Å; N261-N265 PolarHBondContact O-ND2 3.33Å
262	Y	96.6	Very high	93.6	Very high	20 Å²	20	23.2 Å²	23.2	8%	0.078	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-50.9	172.1	161.3	-98.9	0	0	0	111.9	L229 M258 Y259 L260 G264 N265 Y266 E440 D441	L229-Y262 HydrophobicContact CD1-CE1 4.03Å; L229-Y262 WeakPolarHBondContact CD1-OH 3.46Å; L229-Y262 HydrophobicContact CG-CE1 4.37Å; M258-Y262 PolarHBondContact O-N 3.25Å; M258-Y262 VanDerWaalsContact O-N 3.09Å; Y259-Y262 AromaticContact CD2-CD1 3.92Å; Y259-Y262 HydrophobicContact CD2-CD1 3.92Å; Y259-Y262 AromaticContact CE2-CD1 3.63Å; Y259-Y262 HydrophobicContact CE2-CD1 3.63Å; Y259-Y262 AromaticContact CE2-CE1 3.94Å; Y259-Y262 HydrophobicContact CE2-CE1 3.94Å; Y259-Y262 WeakPolarHBondContact O-CB 3.45Å; Y259-Y262 PolarHBondContact O-N 3.48Å; L260-Y262 VanDerWaalsContact C-N 3.31Å; L260-Y262 PolarHBondContact O-N 3.2Å; Y262-G264 VanDerWaalsContact C-N 3.28Å; Y262-G264 PolarHBondContact O-N 2.75Å; Y262-N265 WeakPolarHBondContact O-CB 3.19Å; Y262-N265 PolarHBondContact O-N 3.23Å; Y262-N265 VanDerWaalsContact O-N 3.16Å; Y262-Y266 HydrophobicContact CD2-CE2 4.25Å; Y262-Y266 AromaticContact CE2-CE2 3.85Å; Y262-Y266 HydrophobicContact CE2-CE2 3.85Å; Y262-Y266 WeakPolarHBondContact O-CD2 3.45Å; Y262-E440 PolarHBondContact OH-OE2 3.11Å; Y262-D441 HydrophobicContact CE2-CB 4.34Å; Y262-D441 WeakPolarHBondContact CE2-OD2 3.32Å
263	L	97.6	Very high	93.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-37.8	179.1	-64.2	174.3	0	0	0	112	I115 L220 V227 L229 V238 V250 Y259 L260 N265 Y266 V267	I115-L263 HydrophobicContact CD1-CB 4.48Å; L220-L263 HydrophobicContact CD1-CD1 3.98Å; L220-L263 HydrophobicContact CD2-CD1 4.15Å; V227-L263 HydrophobicContact CG1-CD1 4.07Å; V227-L263 HydrophobicContact CG1-CD2 4.34Å; L229-L263 HydrophobicContact CD2-CD2 3.6Å; L229-L263 HydrophobicContact CG-CD2 3.96Å; V238-L263 HydrophobicContact CG2-CD1 4Å; V238-L263 HydrophobicContact CG2-CD2 4.18Å; V250-L263 HydrophobicContact CG1-CD1 4.1Å; Y259-L263 HydrophobicContact CD1-CD1 4.14Å; Y259-L263 HydrophobicContact CE1-CD1 4Å; Y259-L263 HydrophobicContact CE1-CD2 4.42Å; Y259-L263 HydrophobicContact CE1-CG 4.31Å; Y259-L263 WeakPolarHBondContact O-CG 3.05Å; Y259-L263 PolarHBondContact O-N 3.35Å; L260-L263 PolarHBondContact O-N 2.83Å; L263-N265 PolarHBondContact O-N 2.91Å; L263-Y266 PolarHBondContact O-N 3.44Å; L263-V267 PolarHBondContact O-N 2.66Å
264	G	96.6	Very high	93.2	Very high	12 Å²	12	36 Å²	36	12%	0.124	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-16.3	178.5	0	0	0	0	0	114.6	L260 N261 Y262 Y266	L260-G264 PolarHBondContact O-N 2.83Å; N261-G264 PolarHBondContact O-N 3.48Å; Y262-G264 VanDerWaalsContact C-N 3.28Å; Y262-G264 PolarHBondContact O-N 2.75Å; G264-Y266 PolarHBondContact O-N 3.3Å
265	N	97	Very high	93.3	Very high	18 Å²	18	40 Å²	40	10%	0.096	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.7	170	-68.7	-34.5	0	0	0	112.8	N261 Y262 L263 A270 W271 W454 N455	N261-N265 PolarHBondContact O-N 3.2Å; N261-N265 PolarHBondContact O-ND2 3.33Å; Y262-N265 WeakPolarHBondContact O-CB 3.19Å; Y262-N265 PolarHBondContact O-N 3.23Å; Y262-N265 VanDerWaalsContact O-N 3.16Å; L263-N265 PolarHBondContact O-N 2.91Å; N265-A270 WeakPolarHBondContact O-CB 3.22Å; N265-W271 WeakPolarHBondContact O-CB 3.1Å; N265-W271 PolarHBondContact O-N 2.73Å; N265-W454 HydrophobicContact CB-CE3 4.01Å; N265-W454 HydrophobicContact CB-CZ3 4.36Å; N265-N455 PolarHBondContact ND2-O 3.37Å; N265-N455 VanDerWaalsContact OD1-CB 3.27Å; N265-N455 WeakPolarHBondContact OD1-CB 3.43Å; N265-N455 PolarHBondContact OD1-N 2.83Å
266	Y	97.1	Very high	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-49.1	-177.4	-60.5	-84.9	0	0	0	112	L229 F231 Y262 L263 G264 P268 N269 A270 W271 D441 R450 W454	L229-Y266 HydrophobicContact CD1-CD1 4.28Å; L229-Y266 HydrophobicContact CD1-CD2 3.42Å; L229-Y266 VanDerWaalsContact CD1-CD2 3.42Å; L229-Y266 HydrophobicContact CD1-CE2 3.82Å; L229-Y266 HydrophobicContact CD1-CG 3.68Å; L229-Y266 HydrophobicContact CD2-CD2 4.47Å; L229-Y266 HydrophobicContact CD2-CG 4.47Å; F231-Y266 AromaticContact CE1-CD1 3.88Å; F231-Y266 HydrophobicContact CE1-CD1 3.88Å; F231-Y266 HydrophobicContact CE1-CE1 4.3Å; F231-Y266 AromaticContact CZ-CD1 3.88Å; F231-Y266 HydrophobicContact CZ-CD1 3.88Å; F231-Y266 HydrophobicContact CZ-CE1 4.06Å; Y262-Y266 HydrophobicContact CD2-CE2 4.25Å; Y262-Y266 AromaticContact CE2-CE2 3.85Å; Y262-Y266 HydrophobicContact CE2-CE2 3.85Å; Y262-Y266 WeakPolarHBondContact O-CD2 3.45Å; L263-Y266 PolarHBondContact O-N 3.44Å; G264-Y266 PolarHBondContact O-N 3.3Å; Y266-P268 CarbonylContact O-C 3.52Å; Y266-P268 VanDerWaalsContact O-C 3.29Å; Y266-N269 PolarHBondContact O-N 3.42Å; Y266-A270 PolarHBondContact O-N 3.11Å; Y266-W271 HydrophobicContact CD1-CB 4.07Å; Y266-W271 HydrophobicContact CD1-CD2 4.36Å; Y266-W271 AromaticContact CD1-CE3 3.68Å; Y266-W271 HydrophobicContact CD1-CE3 3.68Å; Y266-W271 HydrophobicContact CE1-CB 4.39Å; Y266-W271 HydrophobicContact CE1-CD2 4.11Å; Y266-W271 AromaticContact CE1-CE3 3.52Å; Y266-W271 HydrophobicContact CE1-CE3 3.52Å; Y266-W271 HydrophobicContact CE1-CG 4.48Å; Y266-W271 HydrophobicContact CE1-CZ3 4.18Å; Y266-D441 WeakPolarHBondContact CE2-OD2 3.27Å; Y266-D441 WeakPolarHBondContact OH-CB 3.35Å; Y266-D441 VanDerWaalsContact OH-CG 3.32Å; Y266-D441 PolarHBondContact OH-OD2 3.39Å; Y266-R450 PolarHBondContact OH-NH1 3.48Å; Y266-W454 HydrophobicContact CE1-CH2 4.39Å; Y266-W454 AromaticContact CE1-CZ3 3.95Å; Y266-W454 HydrophobicContact CE1-CZ3 3.95Å; Y266-W454 HydrophobicContact CE2-CZ3 4.36Å; Y266-W454 AromaticContact CZ-CZ3 3.7Å
267	V	97	Very high	93.8	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	134.4	-169.6	178.7	0	0	0	0	111.4	I115 A117 L229 V236 V238 L263	I115-V267 HydrophobicContact CD1-CB 3.95Å; I115-V267 HydrophobicContact CD1-CG1 4Å; A117-V267 HydrophobicContact CB-CG1 3.68Å; L229-V267 HydrophobicContact CD2-CG2 3.77Å; V236-V267 HydrophobicContact CB-CG2 4.41Å; V236-V267 HydrophobicContact CG1-CG2 4.19Å; V238-V267 HydrophobicContact CG2-CG2 4.34Å; L263-V267 PolarHBondContact O-N 2.66Å
268	P	95.4	Very high	93.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.013	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.6	-28.4	-6	31.8	-32.2	0	0	0	113	T56 Y59 F60 R235 V236 Y266	T56-P268 VanDerWaalsContact CG2-CD 3.45Å; T56-P268 HydrophobicContact CG2-CG 4.39Å; Y59-P268 HydrophobicContact CD1-CB 4Å; Y59-P268 HydrophobicContact CD1-CG 3.48Å; Y59-P268 VanDerWaalsContact CD1-CG 3.48Å; Y59-P268 HydrophobicContact CE1-CB 3.92Å; Y59-P268 HydrophobicContact CE1-CG 3.89Å; Y59-P268 HydrophobicContact CG-CG 3.94Å; F60-P268 HydrophobicContact CE2-CB 3.69Å; F60-P268 HydrophobicContact CE2-CG 3.73Å; F60-P268 HydrophobicContact CZ-CB 3.59Å; F60-P268 HydrophobicContact CZ-CG 4.06Å; R235-P268 CarbonylContact C-O 3.45Å; R235-P268 VanDerWaalsContact CA-O 3.29Å; R235-P268 WeakPolarHBondContact CA-O 3.4Å; R235-P268 VanDerWaalsContact CB-O 3.25Å; R235-P268 WeakPolarHBondContact CB-O 3.35Å; V236-P268 PolarHBondContact N-O 3.04Å; V236-P268 WeakPolarHBondContact O-CA 3.39Å; Y266-P268 CarbonylContact O-C 3.52Å; Y266-P268 VanDerWaalsContact O-C 3.29Å
269	N	93.8	Very high	93.4	Very high	20 Å²	20	33.5 Å²	33.5	11%	0.107	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141	14.6	-171.3	68.3	-53.4	0	0	0	113.3	Y59 Y266 W271 S278 H279	Y59-N269 HydrophobicContact CD2-CB 4.21Å; Y59-N269 VanDerWaalsContact CD2-CG 3.42Å; Y59-N269 WeakPolarHBondContact CD2-OD1 3.42Å; Y59-N269 HydrophobicContact CE2-CB 3.63Å; Y59-N269 WeakPolarHBondContact CE2-ND2 3.45Å; Y266-N269 PolarHBondContact O-N 3.42Å; N269-W271 PolarHBondContact O-N 2.95Å; N269-S278 WeakPolarHBondContact O-CB 3.36Å; N269-S278 PolarHBondContact O-OG 2.86Å; N269-H279 PolarHBondContact ND2-CE1 2.79Å; N269-H279 PolarHBondContact ND2-NE2 3.17Å; N269-H279 PolarHBondContact OD1-NE2 3.4Å
270	A	93.8	Very high	93.2	Very high	15 Å²	15	31.2 Å²	31.2	12%	0.124	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-40.3	-175.1	0	0	0	0	0	112.6	N265 Y266 C277 S278	N265-A270 WeakPolarHBondContact O-CB 3.22Å; Y266-A270 PolarHBondContact O-N 3.11Å; A270-C277 CarbonylContact O-C 3.59Å; A270-C277 WeakPolarHBondContact O-CA 2.98Å; A270-S278 PolarHBondContact O-N 3.42Å
271	W	95.1	Very high	92.8	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.045	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132.9	171.7	-171.1	95.7	0	0	0	111.3	F231 V236 N265 Y266 N269 Y273 G276 R450 V451 W454	F231-W271 AromaticContact CE1-CE3 3.96Å; F231-W271 HydrophobicContact CE1-CE3 3.96Å; F231-W271 AromaticContact CE1-CZ3 3.76Å; F231-W271 HydrophobicContact CE1-CZ3 3.76Å; F231-W271 HydrophobicContact CZ-CZ3 4.4Å; V236-W271 VanDerWaalsContact CG2-O 3.26Å; V236-W271 WeakPolarHBondContact CG2-O 3.36Å; N265-W271 WeakPolarHBondContact O-CB 3.1Å; N265-W271 PolarHBondContact O-N 2.73Å; Y266-W271 HydrophobicContact CD1-CB 4.07Å; Y266-W271 HydrophobicContact CD1-CD2 4.36Å; Y266-W271 AromaticContact CD1-CE3 3.68Å; Y266-W271 HydrophobicContact CD1-CE3 3.68Å; Y266-W271 HydrophobicContact CE1-CB 4.39Å; Y266-W271 HydrophobicContact CE1-CD2 4.11Å; Y266-W271 AromaticContact CE1-CE3 3.52Å; Y266-W271 HydrophobicContact CE1-CE3 3.52Å; Y266-W271 HydrophobicContact CE1-CG 4.48Å; Y266-W271 HydrophobicContact CE1-CZ3 4.18Å; N269-W271 PolarHBondContact O-N 2.95Å; W271-Y273 AromaticContact CH2-CD1 3.64Å; W271-Y273 HydrophobicContact CH2-CD1 3.64Å; W271-Y273 AromaticContact CH2-CE1 3.67Å; W271-Y273 HydrophobicContact CH2-CE1 3.67Å; W271-Y273 HydrophobicContact CH2-CG 4.18Å; W271-Y273 HydrophobicContact CZ3-CD1 4.14Å; W271-Y273 HydrophobicContact CZ3-CD2 4.43Å; W271-Y273 HydrophobicContact CZ3-CE1 4.07Å; W271-Y273 HydrophobicContact CZ3-CE2 4.36Å; W271-Y273 HydrophobicContact CZ3-CG 4.32Å; W271-G276 CarbonylContact C-O 3.58Å; W271-G276 VanDerWaalsContact CA-O 3.27Å; W271-G276 WeakPolarHBondContact CA-O 3.37Å; W271-R450 HydrophobicContact CH2-CB 4.19Å; W271-R450 HydrophobicContact CH2-CG 3.47Å; W271-R450 VanDerWaalsContact CH2-CG 3.47Å; W271-R450 HydrophobicContact CZ2-CB 3.62Å; W271-R450 HydrophobicContact CZ2-CG 3.41Å; W271-R450 VanDerWaalsContact CZ2-CG 3.41Å; W271-R450 HydrophobicContact CZ3-CG 4.16Å; W271-V451 PolarHBondContact NE1-O 3.49Å; W271-W454 HydrophobicContact CB-CH2 4.26Å; W271-W454 HydrophobicContact CB-CZ3 4.38Å; W271-W454 AromaticContact CD1-CH2 3.55Å; W271-W454 AromaticContact CD2-CH2 3.98Å; W271-W454 HydrophobicContact CD2-CH2 3.98Å; W271-W454 AromaticContact CG-CH2 3.66Å; W271-W454 HydrophobicContact CG-CH2 3.66Å; W271-W454 HydrophobicContact CG-CZ3 4.24Å; W271-W454 AromaticContact NE1-CH2 3.81Å
272	N	92.4	Very high	92.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.011	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	172.7	171.9	69.6	45.9	0	0	0	111.9	V236 E274 H275 G276	V236-N272 HydrophobicContact CG2-CB 4.15Å; N272-E274 VanDerWaalsContact C-N 3.33Å; N272-E274 PolarHBondContact O-N 2.79Å; N272-E274 PolarHBondContact OD1-N 3.43Å; N272-H275 PolarHBondContact OD1-N 2.99Å; N272-G276 PolarHBondContact N-O 3.2Å; N272-G276 WeakPolarHBondContact O-CA 3.32Å; N272-G276 PolarHBondContact O-N 3.49Å
273	Y	90.5	Very high	91.9	Very high	153 Å²	153	43.1 Å²	43.1	60%	0.6	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.5	-177.2	-70.7	-73.7	0	0	0	114.5	F231 W271	F231-Y273 HydrophobicContact CB-CD2 4.21Å; F231-Y273 HydrophobicContact CB-CE2 4.12Å; F231-Y273 AromaticContact CD1-CD2 3.71Å; F231-Y273 HydrophobicContact CD1-CD2 3.71Å; F231-Y273 AromaticContact CD1-CE2 3.52Å; F231-Y273 HydrophobicContact CD1-CE2 3.52Å; F231-Y273 HydrophobicContact CD2-CE2 4Å; F231-Y273 HydrophobicContact CE1-CD2 4.32Å; F231-Y273 AromaticContact CE1-CE2 3.89Å; F231-Y273 HydrophobicContact CE1-CE2 3.89Å; F231-Y273 HydrophobicContact CE2-CE2 4.33Å; F231-Y273 HydrophobicContact CG-CD2 4Å; F231-Y273 AromaticContact CG-CE2 3.59Å; F231-Y273 HydrophobicContact CG-CE2 3.59Å; F231-Y273 HydrophobicContact CZ-CE2 4.28Å; W271-Y273 AromaticContact CH2-CD1 3.64Å; W271-Y273 HydrophobicContact CH2-CD1 3.64Å; W271-Y273 AromaticContact CH2-CE1 3.67Å; W271-Y273 HydrophobicContact CH2-CE1 3.67Å; W271-Y273 HydrophobicContact CH2-CG 4.18Å; W271-Y273 HydrophobicContact CZ3-CD1 4.14Å; W271-Y273 HydrophobicContact CZ3-CD2 4.43Å; W271-Y273 HydrophobicContact CZ3-CE1 4.07Å; W271-Y273 HydrophobicContact CZ3-CE2 4.36Å; W271-Y273 HydrophobicContact CZ3-CG 4.32Å
274	E	88.8	Confident	91.7	Very high	126 Å²	126	46.5 Å²	46.5	59%	0.589	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-44.5	-174.3	-171.7	172.2	171.6	0	0	112.2	N272	N272-E274 VanDerWaalsContact C-N 3.33Å; N272-E274 PolarHBondContact O-N 2.79Å; N272-E274 PolarHBondContact OD1-N 3.43Å
275	H	88.1	Confident	91.5	Very high	122 Å²	122	48 Å²	48	57%	0.565	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-8.2	-176.2	-55.7	-42.3	0	0	0	113.1	N272	N272-H275 PolarHBondContact OD1-N 2.99Å
276	G	92.2	Very high	91.2	Very high	23 Å²	23	50.2 Å²	50.2	24%	0.237	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.7	-135.2	-171.4	0	0	0	0	0	110.7	W271 N272 S278	W271-G276 CarbonylContact C-O 3.58Å; W271-G276 VanDerWaalsContact CA-O 3.27Å; W271-G276 WeakPolarHBondContact CA-O 3.37Å; N272-G276 PolarHBondContact N-O 3.2Å; N272-G276 WeakPolarHBondContact O-CA 3.32Å; N272-G276 PolarHBondContact O-N 3.49Å; G276-S278 PolarHBondContact O-N 3.23Å
277	C	91.8	Very high	90.9	Very high	26 Å²	26	50.4 Å²	50.4	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.7	-179.2	-177.1	0	0	0	0	111.8	A270 C280	A270-C277 CarbonylContact O-C 3.59Å; A270-C277 WeakPolarHBondContact O-CA 2.98Å; C277-C280 HydrophobicContact CB-CB 3.73Å; C277-C280 WeakPolarHBondContact CB-SG 3.31Å; C277-C280 WeakPolarHBondContact SG-CB 3.3Å; C277-C280 PolarHBondContact SG-N 3.25Å; C277-C280 VanDerWaalsContact SG-N 3.36Å; C277-C280 CovalentContact SG-SG 2.02Å; C277-C280 PolarHBondContact SG-SG 3.44Å
278	S	88	Confident	90.5	Very high	41 Å²	41	55 Å²	55	29%	0.287	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-26.7	-176.1	-44.8	0	0	0	0	113.7	N269 A270 G276	N269-S278 WeakPolarHBondContact O-CB 3.36Å; N269-S278 PolarHBondContact O-OG 2.86Å; A270-S278 PolarHBondContact O-N 3.42Å; G276-S278 PolarHBondContact O-N 3.23Å
279	H	85.1	Confident	90.2	Very high	47 Å²	47	62 Å²	62	22%	0.218	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	6.8	-175.8	-60.8	-56.4	0	0	0	113.6	N269 D281 D282 R409	N269-H279 PolarHBondContact ND2-CE1 2.79Å; N269-H279 PolarHBondContact ND2-NE2 3.17Å; N269-H279 PolarHBondContact OD1-NE2 3.4Å; H279-D281 PolarHBondContact O-N 2.98Å; H279-D282 IonicContact CE1-OD2 3.46Å; H279-D282 IonicContact CG-OD2 3.42Å; H279-D282 IonicContact ND1-OD2 2.81Å; H279-D282 PolarHBondContact ND1-OD2 3.08Å; H279-D282 PolarHBondContact O-N 2.71Å; H279-R409 PolarHBondContact O-NH2 3.08Å
280	C	87.9	Confident	89.9	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.007	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.1	-178.4	-82.8	0	0	0	0	113.3	C277 Q407 G452 V453 R528	C277-C280 HydrophobicContact CB-CB 3.73Å; C277-C280 WeakPolarHBondContact CB-SG 3.31Å; C277-C280 WeakPolarHBondContact SG-CB 3.3Å; C277-C280 PolarHBondContact SG-N 3.25Å; C277-C280 VanDerWaalsContact SG-N 3.36Å; C277-C280 CovalentContact SG-SG 2.02Å; C277-C280 PolarHBondContact SG-SG 3.44Å; C280-Q407 PolarHBondContact O-NE2 3.43Å; C280-Q407 VanDerWaalsContact O-NE2 3.16Å; C280-Q407 PolarHBondContact O-OE1 3.4Å; C280-G452 VanDerWaalsContact SG-CA 3.5Å; C280-V453 HydrophobicContact CB-CG2 4.41Å; C280-V453 PolarHBondContact SG-N 3.05Å; C280-R528 PolarHBondContact O-NH1 3.33Å
281	D	87.9	Confident	89.3	Confident	92 Å²	92	73.4 Å²	73.4	49%	0.492	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	5.4	177.6	-60.1	-46.4	0	0	0	112.4	H279 L284 R528	H279-D281 PolarHBondContact O-N 2.98Å; D281-L284 HydrophobicContact CB-CD1 4.13Å; D281-R528 VanDerWaalsContact CG-NH2 3.34Å; D281-R528 IonicContact OD1-CZ 3.74Å; D281-R528 IonicContact OD1-NH1 3.44Å; D281-R528 PolarHBondContact OD1-NH1 3.3Å; D281-R528 IonicContact OD1-NH2 2.67Å; D281-R528 PolarHBondContact OD1-NH2 3.21Å; D281-R528 IonicContact OD2-NH2 2.83Å; D281-R528 PolarHBondContact OD2-NH2 2.78Å; D281-R528 VanDerWaalsContact OD2-NH2 3.17Å
282	D	85.4	Confident	89.1	Confident	70 Å²	70	79 Å²	79	37%	0.374	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	134.7	177.1	-69.5	-3.6	0	0	0	111	H279 L284 R409	H279-D282 IonicContact CE1-OD2 3.46Å; H279-D282 IonicContact CG-OD2 3.42Å; H279-D282 IonicContact ND1-OD2 2.81Å; H279-D282 PolarHBondContact ND1-OD2 3.08Å; H279-D282 PolarHBondContact O-N 2.71Å; D282-L284 PolarHBondContact O-N 2.81Å; D282-R409 PolarHBondContact O-NH1 2.84Å
283	D	88	Confident	89.2	Confident	120 Å²	120	82.1 Å²	82.1	64%	0.642	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	34.9	177	-169.4	36.8	0	0	0	112.9	N408	D283-N408 VanDerWaalsContact CG-ND2 3.29Å; D283-N408 WeakPolarHBondContact O-CB 3.11Å; D283-N408 PolarHBondContact O-ND2 3.1Å; D283-N408 PolarHBondContact OD1-ND2 2.91Å; D283-N408 PolarHBondContact OD2-ND2 2.79Å
284	L	92.8	Very high	89.4	Confident	72 Å²	72	76.1 Å²	76.1	38%	0.377	40%	0.395	S	S	.	.			trans	-65	135.1	173.6	-67.3	-179.1	0	0	0	110.5	D281 D282 D286 E406	D281-L284 HydrophobicContact CB-CD1 4.13Å; D282-L284 PolarHBondContact O-N 2.81Å; L284-D286 PolarHBondContact O-N 3.43Å; L284-E406 CarbonylContact C-O 3.48Å; L284-E406 VanDerWaalsContact CA-O 3.25Å; L284-E406 WeakPolarHBondContact CA-O 3.29Å; L284-E406 VanDerWaalsContact CD2-O 3.32Å; L284-E406 WeakPolarHBondContact CD2-O 3.45Å
285	L	93	Very high	89.8	Confident	44 Å²	44	70.9 Å²	70.9	23%	0.23	37%	0.371	C	S	.	.			trans	-81.8	110.1	171.8	177.5	63.7	0	0	0	109	L287 L290 I405 E406 N408	L285-L287 HydrophobicContact CD2-CD2 4.32Å; L285-L287 PolarHBondContact O-N 3.09Å; L285-L287 VanDerWaalsContact O-N 3.14Å; L285-L290 HydrophobicContact CD1-CD1 4.47Å; L285-L290 HydrophobicContact CD1-CD2 4.32Å; L285-L290 HydrophobicContact CD2-CD1 4.38Å; L285-L290 HydrophobicContact CG-CD1 4.49Å; L285-I405 HydrophobicContact CD2-CG2 3.85Å; L285-E406 PolarHBondContact N-O 2.79Å; L285-E406 WeakPolarHBondContact O-CG 3.38Å; L285-N408 HydrophobicContact CB-CB 4.18Å
286	D	91.6	Very high	90.3	Very high	63 Å²	63	65.1 Å²	65.1	34%	0.337	35%	0.345	S	S	.	.			trans	-75.9	101.1	174.6	-172.4	-10	0	0	0	110.7	L284 S288 Q289	L284-D286 PolarHBondContact O-N 3.43Å; D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 PolarHBondContact O-N 2.78Å; D286-S288 VanDerWaalsContact OD1-CB 3.28Å; D286-S288 WeakPolarHBondContact OD1-CB 3.13Å; D286-S288 PolarHBondContact OD1-N 3.19Å; D286-S288 PolarHBondContact OD1-OG 3.33Å; D286-S288 PolarHBondContact OD2-OG 2.8Å; D286-Q289 HydrophobicContact CB-CB 4.35Å; D286-Q289 HydrophobicContact CB-CG 4.12Å; D286-Q289 PolarHBondContact O-N 3.02Å; D286-Q289 VanDerWaalsContact OD2-CD 3.29Å; D286-Q289 WeakPolarHBondContact OD2-CG 3.47Å; D286-Q289 PolarHBondContact OD2-NE2 2.63Å
287	L	90.2	Very high	90.7	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.021	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-62.6	-23.4	177.9	-70.3	179.4	0	0	0	113.1	L285 Q289 L290 Y293 K402 I405 E406	L285-L287 HydrophobicContact CD2-CD2 4.32Å; L285-L287 PolarHBondContact O-N 3.09Å; L285-L287 VanDerWaalsContact O-N 3.14Å; L287-Q289 VanDerWaalsContact C-N 3.29Å; L287-Q289 PolarHBondContact O-N 3.14Å; L287-L290 HydrophobicContact CD2-CD1 3.62Å; L287-L290 PolarHBondContact O-N 3.46Å; L287-Y293 HydrophobicContact CB-CE1 4.27Å; L287-Y293 HydrophobicContact CD1-CE1 4.06Å; L287-K402 HydrophobicContact CD1-CB 3.84Å; L287-K402 HydrophobicContact CD1-CG 3.92Å; L287-I405 HydrophobicContact CD1-CG2 4.48Å; L287-I405 HydrophobicContact CD2-CG2 3.78Å; L287-E406 HydrophobicContact CD1-CG 3.66Å; L287-E406 HydrophobicContact CG-CG 3.71Å
288	S	88.1	Confident	91	Very high	99 Å²	99	63.4 Å²	63.4	69%	0.692	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-73.9	-22	179.1	76.5	0	0	0	0	113.2	D286	D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 PolarHBondContact O-N 2.78Å; D286-S288 VanDerWaalsContact OD1-CB 3.28Å; D286-S288 WeakPolarHBondContact OD1-CB 3.13Å; D286-S288 PolarHBondContact OD1-N 3.19Å; D286-S288 PolarHBondContact OD1-OG 3.33Å; D286-S288 PolarHBondContact OD2-OG 2.8Å
289	Q	89.1	Confident	91.5	Very high	151 Å²	151	61.4 Å²	61.4	71%	0.706	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-88.9	-9.9	178.1	-66.9	179.3	26	0	0	112.9	D286 L287	D286-Q289 HydrophobicContact CB-CB 4.35Å; D286-Q289 HydrophobicContact CB-CG 4.12Å; D286-Q289 PolarHBondContact O-N 3.02Å; D286-Q289 VanDerWaalsContact OD2-CD 3.29Å; D286-Q289 WeakPolarHBondContact OD2-CG 3.47Å; D286-Q289 PolarHBondContact OD2-NE2 2.63Å; L287-Q289 VanDerWaalsContact C-N 3.29Å; L287-Q289 PolarHBondContact O-N 3.14Å
290	L	87.5	Confident	92.1	Very high	67 Å²	67	59.2 Å²	59.2	35%	0.351	30%	0.304	S	S	.	.			trans	-75.4	132.1	177.2	-64.9	179.2	0	0	0	110.5	L285 L287 E292	L285-L290 HydrophobicContact CD1-CD1 4.47Å; L285-L290 HydrophobicContact CD1-CD2 4.32Å; L285-L290 HydrophobicContact CD2-CD1 4.38Å; L285-L290 HydrophobicContact CG-CD1 4.49Å; L287-L290 HydrophobicContact CD2-CD1 3.62Å; L287-L290 PolarHBondContact O-N 3.46Å; L290-E292 PolarHBondContact O-N 3.47Å
291	H	82.3	Confident	92.6	Very high	206 Å²	206	59.2 Å²	59.2	95%	0.954	30%	0.304	S	S	*	.	S	Bend	trans	-59.8	-31	171.9	-68.7	-61.3	0	0	0	112.5
292	E	89.9	Confident	93.1	Very high	130 Å²	130	54.8 Å²	54.8	61%	0.607	28%	0.281	S	S	*	.	S	Bend	trans	-149.3	140.3	-178.4	-166.9	171.2	-146.1	0	0	110.3	L290 K325	L290-E292 PolarHBondContact O-N 3.47Å; E292-K325 WeakPolarHBondContact OE1-CE 2.95Å; E292-K325 IonicContact OE1-NZ 3.18Å; E292-K325 PolarHBondContact OE1-NZ 3.43Å
293	Y	94.3	Very high	93.6	Very high	68 Å²	68	52.1 Å²	52.1	27%	0.267	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-65.5	139.6	174.3	-84.7	-98.8	0	0	0	110.6	L287 Y321 P322	L287-Y293 HydrophobicContact CB-CE1 4.27Å; L287-Y293 HydrophobicContact CD1-CE1 4.06Å; Y293-Y321 HydrophobicContact CD1-CD2 4.25Å; Y293-Y321 AromaticContact CD1-CE2 3.59Å; Y293-Y321 HydrophobicContact CD1-CE2 3.59Å; Y293-Y321 AromaticContact CD1-CZ 3.75Å; Y293-Y321 HydrophobicContact CE1-CE2 4.15Å; Y293-P322 HydrophobicContact CD1-CG 4.37Å; Y293-P322 HydrophobicContact CD2-CG 3.96Å; Y293-P322 HydrophobicContact CE2-CG 4.41Å; Y293-P322 HydrophobicContact CG-CG 3.94Å
294	P	96.1	Very high	94	Very high	27 Å²	27	50.3 Å²	50.3	18%	0.175	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-65.7	143.5	178.7	24.4	-30.6	0	0	0	111.4	V296 Y321 Y385 I405	P294-V296 PolarHBondContact O-N 2.89Å; P294-Y321 WeakPolarHBondContact CD-OH 3.5Å; P294-Y321 VanDerWaalsContact CG-OH 3.31Å; P294-Y321 WeakPolarHBondContact CG-OH 3.47Å; P294-Y321 PolarHBondContact O-OH 2.85Å; P294-Y385 HydrophobicContact CB-CD2 3.95Å; P294-Y385 HydrophobicContact CB-CE2 3.92Å; P294-Y385 HydrophobicContact CG-CD2 3.92Å; P294-Y385 HydrophobicContact CG-CE2 3.7Å; P294-I405 HydrophobicContact CG-CG2 4.45Å
295	D	97.4	Very high	94.2	Very high	15 Å²	15	48.4 Å²	48.4	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.3	170.9	-84.6	-1.2	0	0	0	109.7	K325 K327 K353 S382 G384 Y385	D295-K325 WeakPolarHBondContact CA-O 3.27Å; D295-K325 WeakPolarHBondContact OD1-CD 3.14Å; D295-K327 IonicContact OD2-NZ 2.72Å; D295-K327 PolarHBondContact OD2-NZ 2.83Å; D295-K353 IonicContact OD1-NZ 3.4Å; D295-K353 PolarHBondContact OD1-NZ 3.07Å; D295-K353 IonicContact OD2-NZ 3.63Å; D295-K353 PolarHBondContact OD2-NZ 3.37Å; D295-S382 WeakPolarHBondContact CB-O 3.28Å; D295-G384 WeakPolarHBondContact O-CA 3.42Å; D295-G384 PolarHBondContact O-N 3.27Å; D295-Y385 PolarHBondContact O-N 2.57Å
296	V	98.5	Very high	94.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126	177.6	-174.9	0	0	0	0	109.5	P294 V298 Y321 K325 L326 K327 Y385 F387 L401 I405	P294-V296 PolarHBondContact O-N 2.89Å; V296-V298 HydrophobicContact CG1-CG2 4.29Å; V296-Y321 HydrophobicContact CG2-CE1 3.86Å; V296-K325 PolarHBondContact N-O 3.18Å; V296-L326 HydrophobicContact CB-CD2 3.84Å; V296-L326 HydrophobicContact CG1-CD2 4.45Å; V296-L326 HydrophobicContact CG2-CD2 4.44Å; V296-L326 WeakPolarHBondContact O-CA 3.34Å; V296-K327 PolarHBondContact O-N 3.38Å; V296-Y385 WeakPolarHBondContact CA-O 3.25Å; V296-F387 HydrophobicContact CG1-CB 3.83Å; V296-L401 HydrophobicContact CB-CD2 4.44Å; V296-L401 HydrophobicContact CG1-CD1 4.17Å; V296-L401 HydrophobicContact CG1-CD2 4.21Å; V296-L401 HydrophobicContact CG2-CD2 4.27Å; V296-I405 HydrophobicContact CG2-CD1 4.03Å
297	L	98.7	Very high	94.8	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	114.6	165.3	-179.9	67.2	0	0	0	109	K327 F329 G373 L376 C377 Y385 Y386 F387	L297-K327 CarbonylContact C-O 3.52Å; L297-K327 WeakPolarHBondContact CA-O 3.23Å; L297-K327 HydrophobicContact CD1-CB 3.59Å; L297-F329 HydrophobicContact CD1-CB 4.21Å; L297-G373 VanDerWaalsContact CD2-O 3.29Å; L297-G373 WeakPolarHBondContact CD2-O 3.44Å; L297-L376 HydrophobicContact CD2-CB 3.61Å; L297-C377 HydrophobicContact CB-CB 4.2Å; L297-C377 HydrophobicContact CD2-CB 3.77Å; L297-Y385 PolarHBondContact N-O 3.06Å; L297-Y386 HydrophobicContact CB-CD2 4.31Å; L297-Y386 HydrophobicContact CD2-CD2 4.06Å; L297-Y386 HydrophobicContact CD2-CE2 4.25Å; L297-Y386 HydrophobicContact CG-CD2 4.2Å; L297-Y386 HydrophobicContact CG-CE2 4.46Å; L297-Y386 CarbonylContact O-C 3.56Å; L297-Y386 WeakPolarHBondContact O-CA 3.22Å; L297-F387 PolarHBondContact O-N 2.82Å
298	V	98.7	Very high	95.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.6	172.9	-172.4	0	0	0	0	108.8	V296 V300 L316 L326 K327 L328 F329 F387	V296-V298 HydrophobicContact CG1-CG2 4.29Å; V298-V300 HydrophobicContact CG1-CG2 4.15Å; V298-L316 HydrophobicContact CG1-CD1 4.03Å; V298-L326 HydrophobicContact CG2-CD2 4.17Å; V298-K327 PolarHBondContact N-O 3.25Å; V298-L328 HydrophobicContact CB-CD1 3.87Å; V298-L328 HydrophobicContact CG1-CD1 4.01Å; V298-F329 PolarHBondContact O-N 2.99Å; V298-F387 CarbonylContact C-O 3.6Å; V298-F387 VanDerWaalsContact CA-O 3.28Å; V298-F387 WeakPolarHBondContact CA-O 3.21Å; V298-F387 HydrophobicContact CG1-CD1 3.98Å; V298-F387 HydrophobicContact CG2-CB 4.46Å; V298-F387 HydrophobicContact CG2-CD1 4.19Å
299	G	98.4	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.3	171.9	0	0	0	0	0	110.2	F301 F329 F387 S388 L389	G299-F301 WeakPolarHBondContact O-CE2 3.25Å; G299-F329 CarbonylContact C-O 3.6Å; G299-F329 WeakPolarHBondContact CA-O 3.31Å; G299-F387 PolarHBondContact N-O 3.07Å; G299-S388 CarbonylContact O-C 3.54Å; G299-S388 WeakPolarHBondContact O-CA 3.46Å; G299-L389 PolarHBondContact O-N 3.01Å
300	V	98.7	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.4	176.5	175	0	0	0	0	109.7	V298 I302 F312 F313 L316 L328 F329 V330 H331 L389	V298-V300 HydrophobicContact CG1-CG2 4.15Å; V300-I302 HydrophobicContact CG1-CG1 4.31Å; V300-F312 HydrophobicContact CG1-CE1 3.6Å; V300-F312 HydrophobicContact CG1-CZ 3.87Å; V300-F312 HydrophobicContact CG2-CE1 4.31Å; V300-F312 HydrophobicContact CG2-CZ 4.34Å; V300-F313 HydrophobicContact CG1-CE1 4.47Å; V300-L316 HydrophobicContact CG2-CD2 4.3Å; V300-L328 HydrophobicContact CG2-CD1 3.76Å; V300-F329 PolarHBondContact N-O 3.14Å; V300-V330 HydrophobicContact CB-CB 4.46Å; V300-V330 HydrophobicContact CB-CG1 4.33Å; V300-V330 HydrophobicContact CB-CG2 4.12Å; V300-V330 HydrophobicContact CG1-CG1 4.19Å; V300-V330 WeakPolarHBondContact O-CA 3.47Å; V300-H331 PolarHBondContact O-N 2.63Å; V300-L389 VanDerWaalsContact CA-O 3.27Å; V300-L389 WeakPolarHBondContact CA-O 3.4Å
301	F	98.6	Very high	96.4	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.2	-176.6	-63	-78.4	0	0	0	110.9	G299 E303 F329 H331 A369 R370 Y386 S388 L389 S391	G299-F301 WeakPolarHBondContact O-CE2 3.25Å; F301-E303 HydrophobicContact CB-CG 4.1Å; F301-E303 WeakPolarHBondContact CB-OE1 3.33Å; F301-E303 WeakPolarHBondContact CD1-OE1 3.48Å; F301-F329 AromaticContact CE1-CE1 3.95Å; F301-F329 HydrophobicContact CE1-CE1 3.95Å; F301-F329 HydrophobicContact CZ-CD1 4.41Å; F301-F329 HydrophobicContact CZ-CE1 4.2Å; F301-H331 HydrophobicContact CD1-CB 3.96Å; F301-H331 HydrophobicContact CE1-CB 4.24Å; F301-A369 HydrophobicContact CD1-CB 4.49Å; F301-A369 HydrophobicContact CE1-CB 4.34Å; F301-R370 HydrophobicContact CD1-CG 3.78Å; F301-R370 HydrophobicContact CD2-CG 4.37Å; F301-R370 HydrophobicContact CE1-CB 4.16Å; F301-R370 HydrophobicContact CE1-CG 3.64Å; F301-R370 HydrophobicContact CE2-CG 4.24Å; F301-R370 HydrophobicContact CG-CG 4.17Å; F301-R370 HydrophobicContact CZ-CB 4.25Å; F301-R370 HydrophobicContact CZ-CG 3.88Å; F301-Y386 VanDerWaalsContact CE2-OH 3.3Å; F301-Y386 WeakPolarHBondContact CE2-OH 3.33Å; F301-Y386 VanDerWaalsContact CZ-OH 3.22Å; F301-Y386 WeakPolarHBondContact CZ-OH 3.42Å; F301-S388 WeakPolarHBondContact CE2-OG 3.37Å; F301-L389 PolarHBondContact N-O 3.05Å; F301-L389 VanDerWaalsContact N-O 3.14Å; F301-S391 PolarHBondContact O-N 2.55Å; F301-S391 PolarHBondContact O-OG 2.93Å
302	I	98.3	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	84.4	177.9	-53.9	157.7	0	0	0	107.3	V300 L309 F313 V330 H331 N332 N333 H337 I341	V300-I302 HydrophobicContact CG1-CG1 4.31Å; I302-L309 HydrophobicContact CD1-CD1 4.08Å; I302-L309 HydrophobicContact CD1-CD2 3.93Å; I302-L309 HydrophobicContact CG1-CD1 4.12Å; I302-L309 HydrophobicContact CG2-CD2 4.49Å; I302-F313 HydrophobicContact CD1-CZ 3.98Å; I302-V330 HydrophobicContact CD1-CG1 3.97Å; I302-H331 PolarHBondContact N-O 3.15Å; I302-N332 HydrophobicContact CB-CB 4.44Å; I302-N332 HydrophobicContact CD1-CB 4.39Å; I302-N333 PolarHBondContact O-N 2.79Å; I302-H337 HydrophobicContact CG2-CB 4.26Å; I302-I341 HydrophobicContact CD1-CD1 3.65Å; I302-I341 HydrophobicContact CD1-CG1 3.97Å
303	E	96.3	Very high	97.6	Very high	14 Å²	14	16.5 Å²	16.5	7%	0.065	9%	0.085	C	C	.	.			trans	-99.9	-3	-168.6	-52.6	-54.3	143.3	0	0	114.4	F301 H331 Q366	F301-E303 HydrophobicContact CB-CG 4.1Å; F301-E303 WeakPolarHBondContact CB-OE1 3.33Å; F301-E303 WeakPolarHBondContact CD1-OE1 3.48Å; E303-H331 IonicContact OE1-CE1 3.58Å; E303-H331 IonicContact OE1-CG 3.89Å; E303-H331 IonicContact OE1-ND1 2.71Å; E303-H331 PolarHBondContact OE1-ND1 3.31Å; E303-H331 IonicContact OE2-CE1 3.4Å; E303-H331 PolarHBondContact OE2-CE1 3.26Å; E303-H331 IonicContact OE2-ND1 3.51Å; E303-H331 PolarHBondContact OE2-ND1 3.08Å; E303-Q366 HydrophobicContact CB-CG 3.85Å; E303-Q366 VanDerWaalsContact CB-NE2 3.27Å; E303-Q366 HydrophobicContact CG-CB 4.33Å; E303-Q366 HydrophobicContact CG-CG 3.9Å; E303-Q366 WeakPolarHBondContact OE2-CG 3.36Å
304	Q	95.7	Very high	97.7	Very high	82 Å²	82	19 Å²	19	38%	0.383	10%	0.099	S	C	.	.	S	Bend	trans	-158.7	160.6	177.8	64.4	-169.5	-13.2	0	0	109.8	T306 E334 T537	Q304-T306 PolarHBondContact O-N 3.06Å; Q304-T306 VanDerWaalsContact O-N 3.12Å; Q304-T306 PolarHBondContact O-OG1 3.1Å; Q304-E334 VanDerWaalsContact C-CG 3.41Å; Q304-E334 WeakPolarHBondContact CA-OE1 3.41Å; Q304-T537 HydrophobicContact CG-CG2 4.3Å; Q304-T537 PolarHBondContact NE2-OG1 3.32Å
305	P	97.4	Very high	97.7	Very high	32 Å²	32	19.3 Å²	19.3	21%	0.208	10%	0.097	C	C	.	.			trans	-57.1	122.2	176.8	-26.9	37.7	0	0	0	110.7	E334 Y540 V542	P305-E334 HydrophobicContact CG-CG 4.24Å; P305-E334 WeakPolarHBondContact CG-OE2 3.5Å; P305-Y540 HydrophobicContact CB-CD1 3.68Å; P305-Y540 HydrophobicContact CB-CE1 4.33Å; P305-V542 HydrophobicContact CB-CG1 3.68Å; P305-V542 HydrophobicContact CG-CG1 4.29Å
306	T	97.8	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.			trans	-123.5	123.2	-172.4	-58.1	0	0	0	0	110.9	Q304 H337 S391 I535 T537	Q304-T306 PolarHBondContact O-N 3.06Å; Q304-T306 VanDerWaalsContact O-N 3.12Å; Q304-T306 PolarHBondContact O-OG1 3.1Å; T306-H337 PolarHBondContact N-NE2 2.93Å; T306-H337 PolarHBondContact O-CE1 3.33Å; T306-H337 PolarHBondContact O-NE2 2.97Å; T306-S391 VanDerWaalsContact CG2-O 3.31Å; T306-S391 WeakPolarHBondContact CG2-O 3.45Å; T306-S391 PolarHBondContact OG1-OG 2.97Å; T306-I535 HydrophobicContact CG2-CD1 3.64Å; T306-T537 HydrophobicContact CG2-CG2 3.98Å
307	P	98.1	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	152.2	172.5	-26.2	34	0	0	0	113.3	L309 I535 Y540 D548 Q551	P307-L309 PolarHBondContact O-N 3.28Å; P307-L309 VanDerWaalsContact O-N 3.16Å; P307-I535 HydrophobicContact CB-CD1 4.15Å; P307-I535 HydrophobicContact CG-CD1 4.48Å; P307-I535 WeakPolarHBondContact O-CD1 3.21Å; P307-Y540 HydrophobicContact CB-CD2 4.45Å; P307-Y540 HydrophobicContact CB-CE2 4.23Å; P307-Y540 HydrophobicContact CG-CD1 4.11Å; P307-Y540 HydrophobicContact CG-CD2 3.65Å; P307-Y540 HydrophobicContact CG-CE1 4.35Å; P307-Y540 HydrophobicContact CG-CE2 3.91Å; P307-Y540 HydrophobicContact CG-CG 3.75Å; P307-D548 WeakPolarHBondContact CA-OD1 3.39Å; P307-Q551 HydrophobicContact CB-CG 4.05Å; P307-Q551 HydrophobicContact CG-CG 4.18Å
308	F	97.9	Very high	97.3	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.013	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	31.5	170.1	-43.8	-69.2	0	0	0	114.8	P310 E311 F312 M394 D548 Q551 N555 D558 W559 K562 Y563	F308-P310 VanDerWaalsContact C-CD 3.44Å; F308-P310 VanDerWaalsContact C-N 3.34Å; F308-E311 VanDerWaalsContact C-OE2 3.26Å; F308-E311 WeakPolarHBondContact CA-OE2 3.42Å; F308-E311 HydrophobicContact CB-CB 4.24Å; F308-E311 HydrophobicContact CB-CG 4.48Å; F308-E311 WeakPolarHBondContact CB-OE2 3.25Å; F308-E311 WeakPolarHBondContact O-CB 3.34Å; F308-E311 PolarHBondContact O-N 3.29Å; F308-E311 VanDerWaalsContact O-N 3.11Å; F308-F312 PolarHBondContact O-N 2.74Å; F308-M394 HydrophobicContact CB-CE 3.9Å; F308-D548 HydrophobicContact CD1-CB 4.03Å; F308-D548 HydrophobicContact CE1-CB 3.81Å; F308-D548 PolarHBondContact N-OD1 3.24Å; F308-D548 PolarHBondContact N-OD2 3.4Å; F308-Q551 HydrophobicContact CE2-CB 3.93Å; F308-Q551 HydrophobicContact CE2-CG 4.36Å; F308-Q551 HydrophobicContact CZ-CB 3.56Å; F308-Q551 HydrophobicContact CZ-CG 4.21Å; F308-N555 HydrophobicContact CE2-CB 3.68Å; F308-N555 HydrophobicContact CZ-CB 4.44Å; F308-D558 HydrophobicContact CD2-CB 3.66Å; F308-D558 HydrophobicContact CE2-CB 3.57Å; F308-D558 HydrophobicContact CG-CB 4.28Å; F308-D558 HydrophobicContact CZ-CB 4.09Å; F308-W559 HydrophobicContact CZ-CB 4.1Å; F308-K562 HydrophobicContact CD1-CD 3.67Å; F308-K562 HydrophobicContact CE1-CB 4.44Å; F308-K562 HydrophobicContact CE1-CD 3.87Å; F308-Y563 HydrophobicContact CE1-CE2 4.16Å
309	L	97.9	Very high	97.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-58.6	-36.7	178.6	-171.2	68.3	0	0	0	113.4	I302 P307 E311 F312 F313 H337 H340	I302-L309 HydrophobicContact CD1-CD1 4.08Å; I302-L309 HydrophobicContact CD1-CD2 3.93Å; I302-L309 HydrophobicContact CG1-CD1 4.12Å; I302-L309 HydrophobicContact CG2-CD2 4.49Å; P307-L309 PolarHBondContact O-N 3.28Å; P307-L309 VanDerWaalsContact O-N 3.16Å; L309-E311 VanDerWaalsContact C-N 3.33Å; L309-E311 PolarHBondContact O-N 2.96Å; L309-F312 HydrophobicContact CD1-CB 4.35Å; L309-F312 HydrophobicContact CD1-CD1 4.01Å; L309-F312 HydrophobicContact CD1-CG 4.36Å; L309-F312 WeakPolarHBondContact O-CB 3.48Å; L309-F312 PolarHBondContact O-N 3.03Å; L309-F313 HydrophobicContact CD1-CD2 4.44Å; L309-F313 HydrophobicContact CD1-CE2 4.01Å; L309-F313 HydrophobicContact CD1-CZ 4.45Å; L309-F313 HydrophobicContact CD2-CE2 3.83Å; L309-F313 HydrophobicContact CG-CD2 3.99Å; L309-F313 HydrophobicContact CG-CE2 3.64Å; L309-F313 HydrophobicContact CG-CZ 4.5Å; L309-F313 VanDerWaalsContact O-CD2 3.3Å; L309-F313 WeakPolarHBondContact O-CD2 3.34Å; L309-F313 PolarHBondContact O-N 2.79Å; L309-F313 VanDerWaalsContact O-N 3.09Å; L309-H337 HydrophobicContact CD2-CB 3.67Å; L309-H337 VanDerWaalsContact CD2-CG 3.45Å; L309-H337 WeakPolarHBondContact CD2-ND1 3.38Å; L309-H340 HydrophobicContact CD2-CB 4.07Å
310	P	96.8	Very high	97.2	Very high	47 Å²	47	26.5 Å²	26.5	31%	0.305	14%	0.137	S	C	.	.	H	α-helix	trans	-58.3	-42.7	172	-26.1	36.8	0	0	0	113	F308 F313 Q314	F308-P310 VanDerWaalsContact C-CD 3.44Å; F308-P310 VanDerWaalsContact C-N 3.34Å; P310-F313 PolarHBondContact O-N 2.83Å; P310-Q314 WeakPolarHBondContact O-CG 3.18Å; P310-Q314 PolarHBondContact O-N 2.97Å
311	E	97.4	Very high	97.1	Very high	36 Å²	36	26.9 Å²	26.9	17%	0.168	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-36.7	177.7	-66.6	70.4	-161.4	0	0	111.5	F308 L309 Q314 R315 K562	F308-E311 VanDerWaalsContact C-OE2 3.26Å; F308-E311 WeakPolarHBondContact CA-OE2 3.42Å; F308-E311 HydrophobicContact CB-CB 4.24Å; F308-E311 HydrophobicContact CB-CG 4.48Å; F308-E311 WeakPolarHBondContact CB-OE2 3.25Å; F308-E311 WeakPolarHBondContact O-CB 3.34Å; F308-E311 PolarHBondContact O-N 3.29Å; F308-E311 VanDerWaalsContact O-N 3.11Å; L309-E311 VanDerWaalsContact C-N 3.33Å; L309-E311 PolarHBondContact O-N 2.96Å; E311-Q314 PolarHBondContact O-N 3.25Å; E311-R315 VanDerWaalsContact O-CG 3.28Å; E311-R315 WeakPolarHBondContact O-CG 3.38Å; E311-R315 PolarHBondContact O-N 3.09Å; E311-K562 WeakPolarHBondContact OE1-CD 3.35Å; E311-K562 WeakPolarHBondContact OE1-CE 3.44Å; E311-K562 IonicContact OE1-NZ 3.68Å
312	F	98.3	Very high	97	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.013	15%	0.15	C	C	.	.	H	α-helix	trans	-56.2	-49.8	170.9	169.8	-88.4	0	0	0	111.4	V300 F308 L309 Q314 R315 L316 L389 D390 V393 M394	V300-F312 HydrophobicContact CG1-CE1 3.6Å; V300-F312 HydrophobicContact CG1-CZ 3.87Å; V300-F312 HydrophobicContact CG2-CE1 4.31Å; V300-F312 HydrophobicContact CG2-CZ 4.34Å; F308-F312 PolarHBondContact O-N 2.74Å; L309-F312 HydrophobicContact CD1-CB 4.35Å; L309-F312 HydrophobicContact CD1-CD1 4.01Å; L309-F312 HydrophobicContact CD1-CG 4.36Å; L309-F312 WeakPolarHBondContact O-CB 3.48Å; L309-F312 PolarHBondContact O-N 3.03Å; F312-Q314 PolarHBondContact O-N 3.12Å; F312-R315 WeakPolarHBondContact O-CB 3.43Å; F312-R315 PolarHBondContact O-N 3.47Å; F312-L316 PolarHBondContact O-N 3.22Å; F312-L389 HydrophobicContact CE2-CD1 4.42Å; F312-L389 HydrophobicContact CE2-CD2 3.7Å; F312-L389 HydrophobicContact CE2-CG 3.73Å; F312-L389 HydrophobicContact CZ-CD2 3.57Å; F312-L389 HydrophobicContact CZ-CG 3.73Å; F312-D390 VanDerWaalsContact CE2-O 3.3Å; F312-D390 WeakPolarHBondContact CE2-O 3.22Å; F312-V393 WeakPolarHBondContact CD2-O 3.46Å; F312-M394 HydrophobicContact CB-CE 3.98Å; F312-M394 HydrophobicContact CB-SD 4.22Å
313	F	97.8	Very high	96.8	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-37.8	178.9	-78.4	-54.2	0	0	0	112.9	V300 I302 L309 P310 R315 L316 L317 V330 I341 F344	V300-F313 HydrophobicContact CG1-CE1 4.47Å; I302-F313 HydrophobicContact CD1-CZ 3.98Å; L309-F313 HydrophobicContact CD1-CD2 4.44Å; L309-F313 HydrophobicContact CD1-CE2 4.01Å; L309-F313 HydrophobicContact CD1-CZ 4.45Å; L309-F313 HydrophobicContact CD2-CE2 3.83Å; L309-F313 HydrophobicContact CG-CD2 3.99Å; L309-F313 HydrophobicContact CG-CE2 3.64Å; L309-F313 HydrophobicContact CG-CZ 4.5Å; L309-F313 VanDerWaalsContact O-CD2 3.3Å; L309-F313 WeakPolarHBondContact O-CD2 3.34Å; L309-F313 PolarHBondContact O-N 2.79Å; L309-F313 VanDerWaalsContact O-N 3.09Å; P310-F313 PolarHBondContact O-N 2.83Å; F313-R315 VanDerWaalsContact C-N 3.33Å; F313-R315 PolarHBondContact O-N 3.24Å; F313-L316 HydrophobicContact CD1-CD2 4.46Å; F313-L316 WeakPolarHBondContact O-CB 3.42Å; F313-L316 PolarHBondContact O-N 3Å; F313-L317 PolarHBondContact O-N 3.19Å; F313-V330 HydrophobicContact CZ-CG1 4.49Å; F313-I341 HydrophobicContact CE2-CG1 4.04Å; F313-I341 HydrophobicContact CZ-CG1 3.97Å; F313-F344 HydrophobicContact CB-CD1 4.38Å; F313-F344 HydrophobicContact CB-CD2 3.56Å; F313-F344 HydrophobicContact CB-CE1 4.49Å; F313-F344 HydrophobicContact CB-CE2 3.64Å; F313-F344 HydrophobicContact CB-CG 3.94Å; F313-F344 HydrophobicContact CB-CZ 4.13Å; F313-F344 AromaticContact CD1-CD1 3.55Å; F313-F344 HydrophobicContact CD1-CD1 3.55Å; F313-F344 HydrophobicContact CD1-CD2 4.28Å; F313-F344 AromaticContact CD1-CE1 3.56Å; F313-F344 HydrophobicContact CD1-CE1 3.56Å; F313-F344 HydrophobicContact CD1-CE2 4.24Å; F313-F344 AromaticContact CD1-CG 3.93Å; F313-F344 HydrophobicContact CD1-CG 3.93Å; F313-F344 AromaticContact CD1-CZ 3.91Å; F313-F344 HydrophobicContact CD1-CZ 3.91Å; F313-F344 HydrophobicContact CD2-CB 4.23Å; F313-F344 HydrophobicContact CD2-CD1 4.48Å; F313-F344 HydrophobicContact CD2-CG 4.21Å; F313-F344 AromaticContact CE1-CD1 3.87Å; F313-F344 HydrophobicContact CE1-CD1 3.87Å; F313-F344 HydrophobicContact CE1-CE1 4.05Å; F313-F344 HydrophobicContact CG-CB 4.3Å; F313-F344 AromaticContact CG-CD1 3.91Å; F313-F344 HydrophobicContact CG-CD1 3.91Å; F313-F344 AromaticContact CG-CD2 3.95Å; F313-F344 HydrophobicContact CG-CD2 3.95Å; F313-F344 HydrophobicContact CG-CE1 4.21Å; F313-F344 HydrophobicContact CG-CE2 4.19Å; F313-F344 AromaticContact CG-CG 3.78Å; F313-F344 HydrophobicContact CG-CG 3.78Å; F313-F344 HydrophobicContact CG-CZ 4.33Å; F313-F344 HydrophobicContact CZ-CD1 4.45Å
314	Q	95.9	Very high	96.8	Very high	122 Å²	122	34.3 Å²	34.3	57%	0.57	18%	0.179	S	C	*	.	H	α-helix	trans	-60.3	-43.6	172	-73.7	-179	-5.5	0	0	111.4	P310 E311 F312 L316 L317 T318	P310-Q314 WeakPolarHBondContact O-CG 3.18Å; P310-Q314 PolarHBondContact O-N 2.97Å; E311-Q314 PolarHBondContact O-N 3.25Å; F312-Q314 PolarHBondContact O-N 3.12Å; Q314-L316 VanDerWaalsContact C-N 3.32Å; Q314-L316 PolarHBondContact O-N 3.11Å; Q314-L317 WeakPolarHBondContact O-CB 3.23Å; Q314-L317 PolarHBondContact O-N 2.62Å; Q314-L317 VanDerWaalsContact O-N 3.17Å; Q314-T318 WeakPolarHBondContact O-CG2 3.4Å; Q314-T318 PolarHBondContact O-N 2.7Å
315	R	96.2	Very high	96.8	Very high	33 Å²	33	31.5 Å²	31.5	13%	0.125	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-42	176.4	-72	169.9	-174.1	-69	-7.4	111.7	E311 F312 F313 L317 T318 L319 L395 E561	E311-R315 VanDerWaalsContact O-CG 3.28Å; E311-R315 WeakPolarHBondContact O-CG 3.38Å; E311-R315 PolarHBondContact O-N 3.09Å; F312-R315 WeakPolarHBondContact O-CB 3.43Å; F312-R315 PolarHBondContact O-N 3.47Å; F313-R315 VanDerWaalsContact C-N 3.33Å; F313-R315 PolarHBondContact O-N 3.24Å; R315-L317 VanDerWaalsContact C-N 3.33Å; R315-L317 PolarHBondContact O-N 3.33Å; R315-T318 CarbonylContact O-C 3.59Å; R315-T318 PolarHBondContact O-N 2.98Å; R315-T318 PolarHBondContact O-OG1 3.16Å; R315-L319 PolarHBondContact O-N 3.47Å; R315-L319 VanDerWaalsContact O-N 3.13Å; R315-L395 VanDerWaalsContact CD-O 3.28Å; R315-L395 WeakPolarHBondContact CD-O 2.89Å; R315-L395 PolarHBondContact NH1-O 2.84Å; R315-E561 IonicContact CZ-OE1 3.35Å; R315-E561 IonicContact CZ-OE2 2.89Å; R315-E561 IonicContact NH1-OE1 3.36Å; R315-E561 IonicContact NH2-OE1 2.77Å; R315-E561 PolarHBondContact NH2-OE1 2.82Å; R315-E561 IonicContact NH2-OE2 3.93Å; R315-E561 PolarHBondContact NH2-OE2 3.47Å
316	L	95.6	Very high	96.8	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-43.7	174.8	-176.9	71.8	0	0	0	112	V298 V300 F312 F313 Q314 T318 L319 K323 L328 F344 L389	V298-L316 HydrophobicContact CG1-CD1 4.03Å; V300-L316 HydrophobicContact CG2-CD2 4.3Å; F312-L316 PolarHBondContact O-N 3.22Å; F313-L316 HydrophobicContact CD1-CD2 4.46Å; F313-L316 WeakPolarHBondContact O-CB 3.42Å; F313-L316 PolarHBondContact O-N 3Å; Q314-L316 VanDerWaalsContact C-N 3.32Å; Q314-L316 PolarHBondContact O-N 3.11Å; L316-T318 VanDerWaalsContact C-N 3.31Å; L316-T318 PolarHBondContact O-N 3.41Å; L316-L319 HydrophobicContact CD1-CD1 3.84Å; L316-L319 WeakPolarHBondContact O-CB 3.21Å; L316-L319 PolarHBondContact O-N 3.14Å; L316-K323 PolarHBondContact O-NZ 3.18Å; L316-L328 HydrophobicContact CD2-CD1 3.75Å; L316-L328 HydrophobicContact CD2-CD2 3.99Å; L316-F344 HydrophobicContact CD2-CZ 4.41Å; L316-L389 HydrophobicContact CD1-CD2 4.32Å
317	L	95.7	Very high	96.8	Very high	44 Å²	44	31.1 Å²	31.1	23%	0.23	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-35.3	173.8	-69.9	172.4	0	0	0	112.4	F313 Q314 R315 L319 K323 F344 N348 F352	F313-L317 PolarHBondContact O-N 3.19Å; Q314-L317 WeakPolarHBondContact O-CB 3.23Å; Q314-L317 PolarHBondContact O-N 2.62Å; Q314-L317 VanDerWaalsContact O-N 3.17Å; R315-L317 VanDerWaalsContact C-N 3.33Å; R315-L317 PolarHBondContact O-N 3.33Å; L317-L319 VanDerWaalsContact C-N 3.31Å; L317-L319 PolarHBondContact O-N 3.16Å; L317-K323 WeakPolarHBondContact O-CE 3.42Å; L317-K323 PolarHBondContact O-NZ 3.28Å; L317-F344 HydrophobicContact CD1-CD2 4.42Å; L317-F344 HydrophobicContact CD1-CE2 3.57Å; L317-F344 HydrophobicContact CD1-CZ 4.4Å; L317-F344 HydrophobicContact CD2-CE2 4.02Å; L317-F344 HydrophobicContact CD2-CZ 4.04Å; L317-F344 HydrophobicContact CG-CE2 3.62Å; L317-F344 HydrophobicContact CG-CZ 3.97Å; L317-N348 VanDerWaalsContact CD1-OD1 3.31Å; L317-N348 WeakPolarHBondContact CD1-OD1 3.18Å; L317-N348 HydrophobicContact CD2-CB 4.13Å; L317-F352 HydrophobicContact CD2-CE2 3.83Å; L317-F352 HydrophobicContact CD2-CZ 3.61Å
318	T	96.1	Very high	96.8	Very high	58 Å²	58	31.2 Å²	31.2	36%	0.356	16%	0.161	S	C	.	.	H	α-helix	trans	-82.2	-2.4	179.5	68.1	0	0	0	0	115.2	Q314 R315 L316 D320 R398	Q314-T318 WeakPolarHBondContact O-CG2 3.4Å; Q314-T318 PolarHBondContact O-N 2.7Å; R315-T318 CarbonylContact O-C 3.59Å; R315-T318 PolarHBondContact O-N 2.98Å; R315-T318 PolarHBondContact O-OG1 3.16Å; L316-T318 VanDerWaalsContact C-N 3.31Å; L316-T318 PolarHBondContact O-N 3.41Å; T318-D320 PolarHBondContact O-N 3.2Å; T318-R398 WeakPolarHBondContact O-CD 3.48Å; T318-R398 WeakPolarHBondContact O-CG 3.21Å
319	L	96.9	Very high	96.8	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	16%	0.161	C	C	.	.	S	Bend	trans	-54.2	128.7	173.4	-71.6	180	0	0	0	110.3	R315 L316 L317 Y321 K323 F387 L395	R315-L319 PolarHBondContact O-N 3.47Å; R315-L319 VanDerWaalsContact O-N 3.13Å; L316-L319 HydrophobicContact CD1-CD1 3.84Å; L316-L319 WeakPolarHBondContact O-CB 3.21Å; L316-L319 PolarHBondContact O-N 3.14Å; L317-L319 VanDerWaalsContact C-N 3.31Å; L317-L319 PolarHBondContact O-N 3.16Å; L319-Y321 PolarHBondContact O-N 3.3Å; L319-K323 PolarHBondContact O-NZ 3.23Å; L319-F387 HydrophobicContact CD1-CE1 4.45Å; L319-L395 HydrophobicContact CD2-CD1 4.02Å
320	D	97	Very high	96.9	Very high	69 Å²	69	31.1 Å²	31.1	37%	0.369	16%	0.16	S	C	.	.	S	Bend	trans	-77.5	77.7	178.4	176.2	23.3	0	0	0	109.2	T318 R398 Q399 K402	T318-D320 PolarHBondContact O-N 3.2Å; D320-R398 HydrophobicContact CB-CB 4.22Å; D320-R398 PolarHBondContact N-O 2.77Å; D320-Q399 HydrophobicContact CB-CG 4.48Å; D320-K402 WeakPolarHBondContact O-CD 3.08Å; D320-K402 WeakPolarHBondContact O-CE 3.09Å; D320-K402 PolarHBondContact O-NZ 2.98Å; D320-K402 IonicContact OD1-NZ 3.52Å; D320-K402 PolarHBondContact OD1-NZ 3.41Å; D320-K402 IonicContact OD2-NZ 3.87Å; D320-K402 PolarHBondContact OD2-NZ 3.05Å
321	Y	97.1	Very high	96.9	Very high	8 Å²	8	28.9 Å²	28.9	3%	0.031	15%	0.146	C	C	.	.	S	Bend	trans	-153.9	141.6	175.1	-158.1	-91.8	0	0	0	109.2	Y293 P294 V296 L319 K323 K325 L326 L401 K402 I405	Y293-Y321 HydrophobicContact CD1-CD2 4.25Å; Y293-Y321 AromaticContact CD1-CE2 3.59Å; Y293-Y321 HydrophobicContact CD1-CE2 3.59Å; Y293-Y321 AromaticContact CD1-CZ 3.75Å; Y293-Y321 HydrophobicContact CE1-CE2 4.15Å; P294-Y321 WeakPolarHBondContact CD-OH 3.5Å; P294-Y321 VanDerWaalsContact CG-OH 3.31Å; P294-Y321 WeakPolarHBondContact CG-OH 3.47Å; P294-Y321 PolarHBondContact O-OH 2.85Å; V296-Y321 HydrophobicContact CG2-CE1 3.86Å; L319-Y321 PolarHBondContact O-N 3.3Å; Y321-K323 PolarHBondContact O-N 2.88Å; Y321-K325 HydrophobicContact CD1-CB 4.34Å; Y321-K325 HydrophobicContact CE1-CB 3.77Å; Y321-L326 HydrophobicContact CD1-CD2 3.42Å; Y321-L326 VanDerWaalsContact CD1-CD2 3.42Å; Y321-L326 HydrophobicContact CD1-CG 3.91Å; Y321-L326 HydrophobicContact CE1-CD2 3.91Å; Y321-L326 HydrophobicContact CG-CD2 4.23Å; Y321-L401 HydrophobicContact CD1-CD2 4.08Å; Y321-L401 HydrophobicContact CD2-CB 4.49Å; Y321-L401 HydrophobicContact CD2-CD2 3.84Å; Y321-L401 HydrophobicContact CD2-CG 4Å; Y321-L401 HydrophobicContact CE2-CD2 4.3Å; Y321-L401 HydrophobicContact CE2-CG 4.32Å; Y321-L401 HydrophobicContact CG-CD2 3.72Å; Y321-L401 HydrophobicContact CG-CG 4.38Å; Y321-K402 HydrophobicContact CD2-CG 3.95Å; Y321-K402 HydrophobicContact CE2-CG 4.47Å; Y321-I405 HydrophobicContact CE2-CD1 3.7Å
322	P	96.2	Very high	97	Very high	38 Å²	38	27.3 Å²	27.3	25%	0.247	14%	0.139	C	C	.	.			trans	-56.4	121.6	-179.7	-25	34.1	0	0	0	112.1	Y293 D324 K325	Y293-P322 HydrophobicContact CD1-CG 4.37Å; Y293-P322 HydrophobicContact CD2-CG 3.96Å; Y293-P322 HydrophobicContact CE2-CG 4.41Å; Y293-P322 HydrophobicContact CG-CG 3.94Å; P322-D324 VanDerWaalsContact C-N 3.3Å; P322-D324 VanDerWaalsContact CB-OD1 3.3Å; P322-D324 WeakPolarHBondContact CB-OD1 3.44Å; P322-D324 PolarHBondContact O-N 2.9Å; P322-K325 HydrophobicContact CB-CB 4.3Å; P322-K325 HydrophobicContact CB-CG 3.91Å; P322-K325 WeakPolarHBondContact O-CB 3.35Å; P322-K325 PolarHBondContact O-N 3.42Å
323	K	95.2	Very high	96.9	Very high	39 Å²	39	30 Å²	30	17%	0.17	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-70.2	-28.7	-172.9	-56.5	-55.6	-178.1	-169.9	0	113	L316 L317 L319 Y321 K325 L326 V351 F352 K353	L316-K323 PolarHBondContact O-NZ 3.18Å; L317-K323 WeakPolarHBondContact O-CE 3.42Å; L317-K323 PolarHBondContact O-NZ 3.28Å; L319-K323 PolarHBondContact O-NZ 3.23Å; Y321-K323 PolarHBondContact O-N 2.88Å; K323-K325 PolarHBondContact O-N 3.47Å; K323-L326 HydrophobicContact CD-CD1 3.9Å; K323-L326 PolarHBondContact O-N 2.73Å; K323-V351 HydrophobicContact CB-CG1 3.87Å; K323-V351 WeakPolarHBondContact CB-O 3.26Å; K323-V351 HydrophobicContact CG-CG1 3.91Å; K323-F352 HydrophobicContact CD-CE1 4.25Å; K323-K353 PolarHBondContact O-N 2.91Å
324	D	94.9	Very high	96.9	Very high	94 Å²	94	31.9 Å²	31.9	50%	0.503	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-67.1	-9.4	170.8	65.9	-65.1	0	0	0	113.4	P322 K353	P322-D324 VanDerWaalsContact C-N 3.3Å; P322-D324 VanDerWaalsContact CB-OD1 3.3Å; P322-D324 WeakPolarHBondContact CB-OD1 3.44Å; P322-D324 PolarHBondContact O-N 2.9Å; D324-K353 WeakPolarHBondContact O-CB 3.21Å; D324-K353 WeakPolarHBondContact O-CD 3.4Å
325	K	96.8	Very high	96.9	Very high	22 Å²	22	30.8 Å²	30.8	10%	0.096	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-103.5	-3.5	171.7	-58.9	-60.6	176.9	-168.3	0	113.7	E292 D295 V296 Y321 P322 K323	E292-K325 WeakPolarHBondContact OE1-CE 2.95Å; E292-K325 IonicContact OE1-NZ 3.18Å; E292-K325 PolarHBondContact OE1-NZ 3.43Å; D295-K325 WeakPolarHBondContact CA-O 3.27Å; D295-K325 WeakPolarHBondContact OD1-CD 3.14Å; V296-K325 PolarHBondContact N-O 3.18Å; Y321-K325 HydrophobicContact CD1-CB 4.34Å; Y321-K325 HydrophobicContact CE1-CB 3.77Å; P322-K325 HydrophobicContact CB-CB 4.3Å; P322-K325 HydrophobicContact CB-CG 3.91Å; P322-K325 WeakPolarHBondContact O-CB 3.35Å; P322-K325 PolarHBondContact O-N 3.42Å; K323-K325 PolarHBondContact O-N 3.47Å
326	L	97.6	Very high	96.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.7	178.6	-62.6	-175.5	0	0	0	110.3	V296 V298 Y321 K323 F352 K353 L401	V296-L326 HydrophobicContact CB-CD2 3.84Å; V296-L326 HydrophobicContact CG1-CD2 4.45Å; V296-L326 HydrophobicContact CG2-CD2 4.44Å; V296-L326 WeakPolarHBondContact O-CA 3.34Å; V298-L326 HydrophobicContact CG2-CD2 4.17Å; Y321-L326 HydrophobicContact CD1-CD2 3.42Å; Y321-L326 VanDerWaalsContact CD1-CD2 3.42Å; Y321-L326 HydrophobicContact CD1-CG 3.91Å; Y321-L326 HydrophobicContact CE1-CD2 3.91Å; Y321-L326 HydrophobicContact CG-CD2 4.23Å; K323-L326 HydrophobicContact CD-CD1 3.9Å; K323-L326 PolarHBondContact O-N 2.73Å; L326-F352 HydrophobicContact CB-CD1 3.9Å; L326-F352 HydrophobicContact CB-CE1 4.44Å; L326-F352 HydrophobicContact CD1-CE1 4.27Å; L326-K353 WeakPolarHBondContact O-CB 3.44Å; L326-K353 PolarHBondContact O-N 3.22Å; L326-L401 HydrophobicContact CD2-CD2 3.8Å
327	K	97.8	Very high	96.9	Very high	23 Å²	23	31.2 Å²	31.2	10%	0.1	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.6	164.6	-63.1	174.5	-178.2	157.8	0	107.1	D295 V296 L297 V298 K353 S354 D380 S382	D295-K327 IonicContact OD2-NZ 2.72Å; D295-K327 PolarHBondContact OD2-NZ 2.83Å; V296-K327 PolarHBondContact O-N 3.38Å; L297-K327 CarbonylContact C-O 3.52Å; L297-K327 WeakPolarHBondContact CA-O 3.23Å; L297-K327 HydrophobicContact CD1-CB 3.59Å; V298-K327 PolarHBondContact N-O 3.25Å; K327-K353 HydrophobicContact CG-CB 4.14Å; K327-K353 HydrophobicContact CG-CD 4.24Å; K327-K353 HydrophobicContact CG-CG 4.38Å; K327-S354 CarbonylContact C-O 3.6Å; K327-S354 VanDerWaalsContact CB-OG 3.29Å; K327-S354 WeakPolarHBondContact CB-OG 3.27Å; K327-S354 WeakPolarHBondContact CG-OG 3.45Å; K327-D380 IonicContact NZ-OD2 2.74Å; K327-D380 PolarHBondContact NZ-OD2 2.95Å; K327-S382 PolarHBondContact NZ-OG 2.92Å
328	L	97.9	Very high	97	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.8	-179.5	-168.3	62.3	0	0	0	110.4	V298 V300 L316 V330 F344 F352 S354 F355 K356	V298-L328 HydrophobicContact CB-CD1 3.87Å; V298-L328 HydrophobicContact CG1-CD1 4.01Å; V300-L328 HydrophobicContact CG2-CD1 3.76Å; L316-L328 HydrophobicContact CD2-CD1 3.75Å; L316-L328 HydrophobicContact CD2-CD2 3.99Å; L328-V330 HydrophobicContact CD1-CG2 4.35Å; L328-V330 HydrophobicContact CD2-CG2 3.95Å; L328-V330 HydrophobicContact CG-CG2 3.83Å; L328-F344 HydrophobicContact CD2-CE1 3.93Å; L328-F352 HydrophobicContact CD2-CD2 4.34Å; L328-F352 HydrophobicContact CD2-CE2 4.07Å; L328-F352 HydrophobicContact CD2-CZ 4.34Å; L328-S354 PolarHBondContact N-O 3.37Å; L328-F355 HydrophobicContact CB-CD2 4.24Å; L328-F355 HydrophobicContact CB-CG 4.29Å; L328-F355 HydrophobicContact CD2-CD1 3.99Å; L328-F355 HydrophobicContact CD2-CD2 4.01Å; L328-F355 HydrophobicContact CD2-CE1 3.71Å; L328-F355 HydrophobicContact CD2-CE2 3.71Å; L328-F355 HydrophobicContact CD2-CG 4.17Å; L328-F355 HydrophobicContact CD2-CZ 3.58Å; L328-F355 HydrophobicContact CG-CD2 4.23Å; L328-F355 HydrophobicContact CG-CE2 4.19Å; L328-F355 WeakPolarHBondContact O-CA 3.38Å; L328-K356 PolarHBondContact O-N 2.82Å
329	F	98.4	Very high	96.9	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.2	167.8	170.6	-99.5	0	0	0	107.5	L297 V298 G299 V300 F301 H331 K356 V358 M372 L376	L297-F329 HydrophobicContact CD1-CB 4.21Å; V298-F329 PolarHBondContact O-N 2.99Å; G299-F329 CarbonylContact C-O 3.6Å; G299-F329 WeakPolarHBondContact CA-O 3.31Å; V300-F329 PolarHBondContact N-O 3.14Å; F301-F329 AromaticContact CE1-CE1 3.95Å; F301-F329 HydrophobicContact CE1-CE1 3.95Å; F301-F329 HydrophobicContact CZ-CD1 4.41Å; F301-F329 HydrophobicContact CZ-CE1 4.2Å; F329-H331 HydrophobicContact CE1-CB 4.09Å; F329-H331 HydrophobicContact CZ-CB 4.31Å; F329-K356 CarbonylContact C-O 3.5Å; F329-K356 WeakPolarHBondContact CA-O 3.37Å; F329-K356 HydrophobicContact CD2-CB 4.41Å; F329-K356 HydrophobicContact CD2-CD 4.16Å; F329-K356 HydrophobicContact CD2-CG 4.29Å; F329-K356 HydrophobicContact CE2-CD 4.43Å; F329-V358 HydrophobicContact CE2-CB 4.47Å; F329-V358 HydrophobicContact CE2-CG2 3.6Å; F329-V358 HydrophobicContact CZ-CG2 4.1Å; F329-M372 HydrophobicContact CE2-CG 4.33Å; F329-M372 HydrophobicContact CE2-SD 4.02Å; F329-M372 HydrophobicContact CZ-CB 4.38Å; F329-M372 HydrophobicContact CZ-CG 4.22Å; F329-M372 HydrophobicContact CZ-SD 4.09Å; F329-L376 HydrophobicContact CB-CD1 4.33Å; F329-L376 HydrophobicContact CD2-CD1 3.46Å; F329-L376 VanDerWaalsContact CD2-CD1 3.46Å; F329-L376 HydrophobicContact CE2-CD1 3.92Å; F329-L376 HydrophobicContact CG-CD1 3.99Å
330	V	98.5	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.4	177.3	-175.3	0	0	0	0	108.4	V300 I302 F313 L328 I341 F355 K356 V357 V358	V300-V330 HydrophobicContact CB-CB 4.46Å; V300-V330 HydrophobicContact CB-CG1 4.33Å; V300-V330 HydrophobicContact CB-CG2 4.12Å; V300-V330 HydrophobicContact CG1-CG1 4.19Å; V300-V330 WeakPolarHBondContact O-CA 3.47Å; I302-V330 HydrophobicContact CD1-CG1 3.97Å; F313-V330 HydrophobicContact CZ-CG1 4.49Å; L328-V330 HydrophobicContact CD1-CG2 4.35Å; L328-V330 HydrophobicContact CD2-CG2 3.95Å; L328-V330 HydrophobicContact CG-CG2 3.83Å; V330-I341 HydrophobicContact CG1-CD1 4.47Å; V330-F355 HydrophobicContact CB-CE2 4.33Å; V330-F355 HydrophobicContact CG2-CD2 4.46Å; V330-F355 HydrophobicContact CG2-CE2 3.53Å; V330-F355 HydrophobicContact CG2-CZ 4.07Å; V330-K356 PolarHBondContact N-O 3.49Å; V330-V357 HydrophobicContact CB-CG2 4.45Å; V330-V357 CarbonylContact O-C 3.49Å; V330-V357 WeakPolarHBondContact O-CA 3.49Å; V330-V358 PolarHBondContact O-N 2.96Å
331	H	98.6	Very high	96.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.5	165.4	179.6	-102.3	0	0	0	109.5	V300 F301 I302 E303 F329 V358 A369	V300-H331 PolarHBondContact O-N 2.63Å; F301-H331 HydrophobicContact CD1-CB 3.96Å; F301-H331 HydrophobicContact CE1-CB 4.24Å; I302-H331 PolarHBondContact N-O 3.15Å; E303-H331 IonicContact OE1-CE1 3.58Å; E303-H331 IonicContact OE1-CG 3.89Å; E303-H331 IonicContact OE1-ND1 2.71Å; E303-H331 PolarHBondContact OE1-ND1 3.31Å; E303-H331 IonicContact OE2-CE1 3.4Å; E303-H331 PolarHBondContact OE2-CE1 3.26Å; E303-H331 IonicContact OE2-ND1 3.51Å; E303-H331 PolarHBondContact OE2-ND1 3.08Å; F329-H331 HydrophobicContact CE1-CB 4.09Å; F329-H331 HydrophobicContact CZ-CB 4.31Å; H331-V358 WeakPolarHBondContact CA-O 3.43Å; H331-A369 HydrophobicContact CB-CB 4.08Å; H331-A369 VanDerWaalsContact CD2-CB 3.47Å; H331-A369 WeakPolarHBondContact CD2-CB 3.26Å; H331-A369 VanDerWaalsContact CE1-CB 3.47Å; H331-A369 WeakPolarHBondContact CE1-CB 3.33Å; H331-A369 WeakPolarHBondContact ND1-CB 3.43Å
332	N	98.2	Very high	96.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.011	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.2	175.7	174.4	50.6	0	0	0	110.3	I302 E334 I341 V358 G359 P360	I302-N332 HydrophobicContact CB-CB 4.44Å; I302-N332 HydrophobicContact CD1-CB 4.39Å; N332-E334 PolarHBondContact ND2-O 3.22Å; N332-E334 PolarHBondContact OD1-N 3.08Å; N332-E334 PolarHBondContact OD1-O 2.84Å; N332-I341 HydrophobicContact CB-CD1 3.28Å; N332-V358 PolarHBondContact N-O 3.49Å; N332-G359 CarbonylContact O-C 3.51Å; N332-P360 WeakPolarHBondContact O-CA 3.06Å; N332-P360 VanDerWaalsContact O-CD 3.26Å; N332-P360 WeakPolarHBondContact O-CD 3.38Å; N332-P360 WeakPolarHBondContact O-CG 3.34Å
333	N	97	Very high	96.9	Very high	59 Å²	59	45.2 Å²	45.2	32%	0.316	21%	0.211	S	C	.	.			trans	-94.8	-6	174.5	-165.5	60.3	0	0	0	112.5	I302	I302-N333 PolarHBondContact O-N 2.79Å
334	E	96.4	Very high	96.9	Very high	43 Å²	43	43.9 Å²	43.9	20%	0.201	21%	0.206	C	C	.	.			trans	-111.7	114	-170.6	-65.2	-59.2	146.4	0	0	113.1	Q304 P305 N332 Y336 H337	Q304-E334 VanDerWaalsContact C-CG 3.41Å; Q304-E334 WeakPolarHBondContact CA-OE1 3.41Å; P305-E334 HydrophobicContact CG-CG 4.24Å; P305-E334 WeakPolarHBondContact CG-OE2 3.5Å; N332-E334 PolarHBondContact ND2-O 3.22Å; N332-E334 PolarHBondContact OD1-N 3.08Å; N332-E334 PolarHBondContact OD1-O 2.84Å; E334-Y336 PolarHBondContact O-N 3.48Å; E334-Y336 VanDerWaalsContact O-N 3.16Å; E334-H337 HydrophobicContact CB-CB 4.33Å; E334-H337 PolarHBondContact O-N 3.13Å
335	V	96.1	Very high	97	Very high	100 Å²	100	43.6 Å²	43.6	61%	0.606	20%	0.198	S	C	*	.	H	α-helix	trans	-56.2	-35.6	176.3	-179.9	0	0	0	0	111.5	H337 E338 P360	V335-H337 PolarHBondContact O-N 3.21Å; V335-H337 VanDerWaalsContact O-N 3.15Å; V335-E338 WeakPolarHBondContact O-CB 3.34Å; V335-E338 PolarHBondContact O-N 2.75Å; V335-P360 HydrophobicContact CG2-CB 4.19Å; V335-P360 HydrophobicContact CG2-CG 4.23Å
336	Y	95.3	Very high	96.9	Very high	44 Å²	44	47.9 Å²	47.9	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-56.1	-32.2	175.8	172.6	-107	0	0	0	113.1	E334 H340 Y540 V542 N547	E334-Y336 PolarHBondContact O-N 3.48Å; E334-Y336 VanDerWaalsContact O-N 3.16Å; Y336-H340 AromaticContact CE1-CE1 3.73Å; Y336-H340 AromaticContact CZ-CE1 3.75Å; Y336-Y540 HydrophobicContact CE1-CE1 4.12Å; Y336-V542 HydrophobicContact CD1-CB 4.22Å; Y336-V542 HydrophobicContact CD1-CG1 3.58Å; Y336-V542 HydrophobicContact CD2-CB 3.87Å; Y336-V542 HydrophobicContact CD2-CG1 4.17Å; Y336-V542 HydrophobicContact CE1-CB 4.46Å; Y336-V542 HydrophobicContact CE1-CG1 3.82Å; Y336-V542 HydrophobicContact CE2-CB 4.13Å; Y336-V542 HydrophobicContact CE2-CG1 4.38Å; Y336-V542 HydrophobicContact CG-CB 3.93Å; Y336-V542 HydrophobicContact CG-CG1 3.78Å; Y336-N547 VanDerWaalsContact CE2-ND2 3.29Å; Y336-N547 WeakPolarHBondContact CE2-ND2 3.48Å; Y336-N547 PolarHBondContact OH-ND2 3.06Å
337	H	97.4	Very high	96.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-91.1	-7.4	-176.5	-72.9	-58.6	0	0	0	114.9	I302 T306 L309 E334 V335 K339 H340 I341	I302-H337 HydrophobicContact CG2-CB 4.26Å; T306-H337 PolarHBondContact N-NE2 2.93Å; T306-H337 PolarHBondContact O-CE1 3.33Å; T306-H337 PolarHBondContact O-NE2 2.97Å; L309-H337 HydrophobicContact CD2-CB 3.67Å; L309-H337 VanDerWaalsContact CD2-CG 3.45Å; L309-H337 WeakPolarHBondContact CD2-ND1 3.38Å; E334-H337 HydrophobicContact CB-CB 4.33Å; E334-H337 PolarHBondContact O-N 3.13Å; V335-H337 PolarHBondContact O-N 3.21Å; V335-H337 VanDerWaalsContact O-N 3.15Å; H337-K339 VanDerWaalsContact C-N 3.28Å; H337-K339 PolarHBondContact O-N 3.46Å; H337-H340 AromaticContact ND1-CE1 3.73Å; H337-H340 AromaticContact ND1-ND1 3.14Å; H337-H340 PolarHBondContact ND1-ND1 3.36Å; H337-H340 VanDerWaalsContact ND1-ND1 3.14Å; H337-H340 WeakPolarHBondContact O-CB 3.45Å; H337-H340 PolarHBondContact O-N 3.05Å; H337-I341 HydrophobicContact CB-CD1 4.46Å; H337-I341 WeakPolarHBondContact O-CG1 3.5Å; H337-I341 PolarHBondContact O-N 2.83Å; H337-I341 VanDerWaalsContact O-N 3.08Å
338	E	96.8	Very high	96.6	Very high	84 Å²	84	53.4 Å²	53.4	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-53.4	-45.1	176.7	-72.4	177.6	-166.5	0	0	112.1	V335 H340 I341 Q342 P360	V335-E338 WeakPolarHBondContact O-CB 3.34Å; V335-E338 PolarHBondContact O-N 2.75Å; E338-H340 VanDerWaalsContact C-N 3.27Å; E338-H340 PolarHBondContact O-N 3.23Å; E338-I341 PolarHBondContact O-N 3.18Å; E338-Q342 WeakPolarHBondContact O-CB 3.11Å; E338-Q342 PolarHBondContact O-N 3.49Å; E338-P360 HydrophobicContact CG-CG 4.37Å; E338-P360 WeakPolarHBondContact OE1-CD 3.2Å; E338-P360 WeakPolarHBondContact OE1-CG 3.48Å
339	K	95.3	Very high	96.4	Very high	111 Å²	111	58.8 Å²	58.8	48%	0.483	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-35.8	178.4	68.9	-178.1	-177.4	173.5	0	113.4	H337 R343	H337-K339 VanDerWaalsContact C-N 3.28Å; H337-K339 PolarHBondContact O-N 3.46Å; K339-R343 WeakPolarHBondContact O-CB 3.34Å; K339-R343 PolarHBondContact O-N 2.89Å
340	H	96.3	Very high	96.2	Very high	37 Å²	37	65.3 Å²	65.3	17%	0.171	30%	0.3	C	S	.	.	H	α-helix	trans	-74.9	-41	-179.2	-55.9	115.7	0	0	0	110.5	L309 Y336 H337 E338 F344	L309-H340 HydrophobicContact CD2-CB 4.07Å; Y336-H340 AromaticContact CE1-CE1 3.73Å; Y336-H340 AromaticContact CZ-CE1 3.75Å; H337-H340 AromaticContact ND1-CE1 3.73Å; H337-H340 AromaticContact ND1-ND1 3.14Å; H337-H340 PolarHBondContact ND1-ND1 3.36Å; H337-H340 VanDerWaalsContact ND1-ND1 3.14Å; H337-H340 WeakPolarHBondContact O-CB 3.45Å; H337-H340 PolarHBondContact O-N 3.05Å; E338-H340 VanDerWaalsContact C-N 3.27Å; E338-H340 PolarHBondContact O-N 3.23Å; H340-F344 WeakPolarHBondContact O-CB 3.23Å; H340-F344 PolarHBondContact O-N 2.82Å; H340-F344 VanDerWaalsContact O-N 3.08Å
341	I	96.6	Very high	96	Very high	6 Å²	6	68.3 Å²	68.3	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-43.7	179.4	-61	163.5	0	0	0	110.6	I302 F313 V330 N332 H337 E338 R343 F344 W345 V357	I302-I341 HydrophobicContact CD1-CD1 3.65Å; I302-I341 HydrophobicContact CD1-CG1 3.97Å; F313-I341 HydrophobicContact CE2-CG1 4.04Å; F313-I341 HydrophobicContact CZ-CG1 3.97Å; V330-I341 HydrophobicContact CG1-CD1 4.47Å; N332-I341 HydrophobicContact CB-CD1 3.28Å; H337-I341 HydrophobicContact CB-CD1 4.46Å; H337-I341 WeakPolarHBondContact O-CG1 3.5Å; H337-I341 PolarHBondContact O-N 2.83Å; H337-I341 VanDerWaalsContact O-N 3.08Å; E338-I341 PolarHBondContact O-N 3.18Å; I341-R343 VanDerWaalsContact C-N 3.35Å; I341-R343 PolarHBondContact O-N 3.25Å; I341-F344 PolarHBondContact O-N 2.99Å; I341-W345 VanDerWaalsContact O-CB 3.3Å; I341-W345 WeakPolarHBondContact O-CB 3.38Å; I341-W345 PolarHBondContact O-N 3.2Å; I341-V357 HydrophobicContact CG2-CG1 3.94Å; I341-V357 HydrophobicContact CG2-CG2 4.08Å
342	Q	96.4	Very high	95.8	Very high	115 Å²	115	68.9 Å²	68.9	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-57.1	-50.5	177.9	-179.5	179.1	-2.1	0	0	110.5	E338 F344 W345 E346	E338-Q342 WeakPolarHBondContact O-CB 3.11Å; E338-Q342 PolarHBondContact O-N 3.49Å; Q342-F344 VanDerWaalsContact C-N 3.35Å; Q342-F344 PolarHBondContact O-N 3.5Å; Q342-W345 PolarHBondContact O-N 3.2Å; Q342-E346 HydrophobicContact CG-CG 4.41Å; Q342-E346 VanDerWaalsContact CG-OE1 3.31Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.34Å; Q342-E346 PolarHBondContact NE2-OE1 3.04Å; Q342-E346 WeakPolarHBondContact O-CB 3.42Å; Q342-E346 WeakPolarHBondContact O-CG 3.3Å; Q342-E346 PolarHBondContact O-N 3.42Å
343	R	96.6	Very high	95.6	Very high	163 Å²	163	73.6 Å²	73.6	62%	0.615	34%	0.341	S	S	*	.	H	α-helix	trans	-57.4	-47.9	176.4	-177.7	177.4	-179.7	168.1	2.3	111.9	K339 I341 W345 E346 E347	K339-R343 WeakPolarHBondContact O-CB 3.34Å; K339-R343 PolarHBondContact O-N 2.89Å; I341-R343 VanDerWaalsContact C-N 3.35Å; I341-R343 PolarHBondContact O-N 3.25Å; R343-W345 VanDerWaalsContact C-N 3.32Å; R343-W345 PolarHBondContact O-N 2.75Å; R343-E346 PolarHBondContact O-N 2.83Å; R343-E347 VanDerWaalsContact CG-OE1 3.32Å; R343-E347 WeakPolarHBondContact CG-OE1 3.5Å; R343-E347 IonicContact CZ-OE1 3.07Å; R343-E347 IonicContact NE-OE1 3.69Å; R343-E347 PolarHBondContact NE-OE1 2.92Å; R343-E347 IonicContact NH2-OE1 2.83Å; R343-E347 WeakPolarHBondContact O-CB 3.44Å; R343-E347 WeakPolarHBondContact O-CG 3.46Å; R343-E347 PolarHBondContact O-N 3.42Å; R343-E347 VanDerWaalsContact O-N 3.09Å
344	F	96.8	Very high	95.6	Very high	11 Å²	11	73.3 Å²	73.3	5%	0.048	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-40.5	179.2	179.5	-109.3	0	0	0	112.5	F313 L316 L317 L328 H340 I341 Q342 N348 F352 F355	F313-F344 HydrophobicContact CB-CD1 4.38Å; F313-F344 HydrophobicContact CB-CD2 3.56Å; F313-F344 HydrophobicContact CB-CE1 4.49Å; F313-F344 HydrophobicContact CB-CE2 3.64Å; F313-F344 HydrophobicContact CB-CG 3.94Å; F313-F344 HydrophobicContact CB-CZ 4.13Å; F313-F344 AromaticContact CD1-CD1 3.55Å; F313-F344 HydrophobicContact CD1-CD1 3.55Å; F313-F344 HydrophobicContact CD1-CD2 4.28Å; F313-F344 AromaticContact CD1-CE1 3.56Å; F313-F344 HydrophobicContact CD1-CE1 3.56Å; F313-F344 HydrophobicContact CD1-CE2 4.24Å; F313-F344 AromaticContact CD1-CG 3.93Å; F313-F344 HydrophobicContact CD1-CG 3.93Å; F313-F344 AromaticContact CD1-CZ 3.91Å; F313-F344 HydrophobicContact CD1-CZ 3.91Å; F313-F344 HydrophobicContact CD2-CB 4.23Å; F313-F344 HydrophobicContact CD2-CD1 4.48Å; F313-F344 HydrophobicContact CD2-CG 4.21Å; F313-F344 AromaticContact CE1-CD1 3.87Å; F313-F344 HydrophobicContact CE1-CD1 3.87Å; F313-F344 HydrophobicContact CE1-CE1 4.05Å; F313-F344 HydrophobicContact CG-CB 4.3Å; F313-F344 AromaticContact CG-CD1 3.91Å; F313-F344 HydrophobicContact CG-CD1 3.91Å; F313-F344 AromaticContact CG-CD2 3.95Å; F313-F344 HydrophobicContact CG-CD2 3.95Å; F313-F344 HydrophobicContact CG-CE1 4.21Å; F313-F344 HydrophobicContact CG-CE2 4.19Å; F313-F344 AromaticContact CG-CG 3.78Å; F313-F344 HydrophobicContact CG-CG 3.78Å; F313-F344 HydrophobicContact CG-CZ 4.33Å; F313-F344 HydrophobicContact CZ-CD1 4.45Å; L316-F344 HydrophobicContact CD2-CZ 4.41Å; L317-F344 HydrophobicContact CD1-CD2 4.42Å; L317-F344 HydrophobicContact CD1-CE2 3.57Å; L317-F344 HydrophobicContact CD1-CZ 4.4Å; L317-F344 HydrophobicContact CD2-CE2 4.02Å; L317-F344 HydrophobicContact CD2-CZ 4.04Å; L317-F344 HydrophobicContact CG-CE2 3.62Å; L317-F344 HydrophobicContact CG-CZ 3.97Å; L328-F344 HydrophobicContact CD2-CE1 3.93Å; H340-F344 WeakPolarHBondContact O-CB 3.23Å; H340-F344 PolarHBondContact O-N 2.82Å; H340-F344 VanDerWaalsContact O-N 3.08Å; I341-F344 PolarHBondContact O-N 2.99Å; Q342-F344 VanDerWaalsContact C-N 3.35Å; Q342-F344 PolarHBondContact O-N 3.5Å; F344-N348 WeakPolarHBondContact CD2-ND2 3.5Å; F344-N348 HydrophobicContact CE2-CB 4.26Å; F344-N348 HydrophobicContact CZ-CB 4.38Å; F344-N348 VanDerWaalsContact O-CB 3.3Å; F344-N348 WeakPolarHBondContact O-CB 3.32Å; F344-N348 PolarHBondContact O-N 3.27Å; F344-N348 PolarHBondContact O-ND2 2.93Å; F344-F352 HydrophobicContact CE1-CE2 4.3Å; F344-F352 AromaticContact CZ-CE2 3.99Å; F344-F352 HydrophobicContact CZ-CE2 3.99Å; F344-F352 HydrophobicContact CZ-CZ 4.26Å; F344-F355 AromaticContact CD1-CE1 3.74Å; F344-F355 HydrophobicContact CD1-CE1 3.74Å; F344-F355 AromaticContact CD1-CZ 3.69Å; F344-F355 HydrophobicContact CD1-CZ 3.69Å; F344-F355 AromaticContact CE1-CE1 3.62Å; F344-F355 HydrophobicContact CE1-CE1 3.62Å; F344-F355 AromaticContact CE1-CZ 3.78Å; F344-F355 HydrophobicContact CE1-CZ 3.78Å
345	W	95.4	Very high	95.5	Very high	89 Å²	89	72.7 Å²	72.7	34%	0.337	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-47.1	178.1	-178.9	88.5	0	0	0	111.8	I341 Q342 R343 E347 N348 R349 F355	I341-W345 VanDerWaalsContact O-CB 3.3Å; I341-W345 WeakPolarHBondContact O-CB 3.38Å; I341-W345 PolarHBondContact O-N 3.2Å; Q342-W345 PolarHBondContact O-N 3.2Å; R343-W345 VanDerWaalsContact C-N 3.32Å; R343-W345 PolarHBondContact O-N 2.75Å; W345-E347 VanDerWaalsContact C-N 3.28Å; W345-E347 PolarHBondContact O-N 2.91Å; W345-N348 PolarHBondContact O-N 3.21Å; W345-R349 HydrophobicContact CD2-CB 4.35Å; W345-R349 HydrophobicContact CG-CB 4.48Å; W345-R349 VanDerWaalsContact O-CB 3.25Å; W345-R349 WeakPolarHBondContact O-CB 3.12Å; W345-R349 PolarHBondContact O-N 2.8Å; W345-F355 HydrophobicContact CB-CE1 4.26Å; W345-F355 HydrophobicContact CB-CZ 4.23Å; W345-F355 AromaticContact CD1-CD1 3.87Å; W345-F355 AromaticContact CD1-CD2 3.88Å; W345-F355 AromaticContact CD1-CE1 3.94Å; W345-F355 AromaticContact CD1-CE2 3.97Å; W345-F355 AromaticContact CD1-CG 3.81Å; W345-F355 AromaticContact CD1-CZ 3.98Å; W345-F355 HydrophobicContact CG-CE1 4.47Å
346	E	95.4	Very high	95.6	Very high	111 Å²	111	72.5 Å²	72.5	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-40.7	177.9	-73	173.2	-177.2	0	0	111.7	Q342 R343	Q342-E346 HydrophobicContact CG-CG 4.41Å; Q342-E346 VanDerWaalsContact CG-OE1 3.31Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.34Å; Q342-E346 PolarHBondContact NE2-OE1 3.04Å; Q342-E346 WeakPolarHBondContact O-CB 3.42Å; Q342-E346 WeakPolarHBondContact O-CG 3.3Å; Q342-E346 PolarHBondContact O-N 3.42Å; R343-E346 PolarHBondContact O-N 2.83Å
347	E	95.3	Very high	95.7	Very high	118 Å²	118	73.1 Å²	73.1	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-77.6	-26.9	-179.1	-69.4	173	-174.5	0	0	113.3	R343 W345	R343-E347 VanDerWaalsContact CG-OE1 3.32Å; R343-E347 WeakPolarHBondContact CG-OE1 3.5Å; R343-E347 IonicContact CZ-OE1 3.07Å; R343-E347 IonicContact NE-OE1 3.69Å; R343-E347 PolarHBondContact NE-OE1 2.92Å; R343-E347 IonicContact NH2-OE1 2.83Å; R343-E347 WeakPolarHBondContact O-CB 3.44Å; R343-E347 WeakPolarHBondContact O-CG 3.46Å; R343-E347 PolarHBondContact O-N 3.42Å; R343-E347 VanDerWaalsContact O-N 3.09Å; W345-E347 VanDerWaalsContact C-N 3.28Å; W345-E347 PolarHBondContact O-N 2.91Å
348	N	94.9	Very high	95.7	Very high	22 Å²	22	73.6 Å²	73.6	12%	0.118	34%	0.342	C	S	.	.	H	α-helix	trans	-132.9	3.3	-164.4	-56.6	-84.1	0	0	0	116.7	L317 F344 W345 D350 V351 F352	L317-N348 VanDerWaalsContact CD1-OD1 3.31Å; L317-N348 WeakPolarHBondContact CD1-OD1 3.18Å; L317-N348 HydrophobicContact CD2-CB 4.13Å; F344-N348 WeakPolarHBondContact CD2-ND2 3.5Å; F344-N348 HydrophobicContact CE2-CB 4.26Å; F344-N348 HydrophobicContact CZ-CB 4.38Å; F344-N348 VanDerWaalsContact O-CB 3.3Å; F344-N348 WeakPolarHBondContact O-CB 3.32Å; F344-N348 PolarHBondContact O-N 3.27Å; F344-N348 PolarHBondContact O-ND2 2.93Å; W345-N348 PolarHBondContact O-N 3.21Å; N348-D350 PolarHBondContact O-N 3.31Å; N348-D350 VanDerWaalsContact O-N 3.14Å; N348-V351 HydrophobicContact CB-CG2 4.34Å; N348-V351 WeakPolarHBondContact O-CB 3.45Å; N348-V351 PolarHBondContact O-N 3.45Å; N348-V351 VanDerWaalsContact O-N 3.09Å; N348-F352 HydrophobicContact CB-CE2 4.32Å
349	R	92.4	Very high	95.7	Very high	116 Å²	116	69.9 Å²	69.9	44%	0.438	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34	-177.8	67.3	-177.4	-167.8	-173	-0.4	114.5	W345 V351	W345-R349 HydrophobicContact CD2-CB 4.35Å; W345-R349 HydrophobicContact CG-CB 4.48Å; W345-R349 VanDerWaalsContact O-CB 3.25Å; W345-R349 WeakPolarHBondContact O-CB 3.12Å; W345-R349 PolarHBondContact O-N 2.8Å; R349-V351 VanDerWaalsContact C-N 3.34Å
350	D	93.6	Very high	95.6	Very high	138 Å²	138	65.6 Å²	65.6	74%	0.738	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.9	-175.3	-59.6	-51.1	0	0	0	112.6	N348	N348-D350 PolarHBondContact O-N 3.31Å; N348-D350 VanDerWaalsContact O-N 3.14Å
351	V	94.8	Very high	95.6	Very high	64 Å²	64	70.3 Å²	70.3	39%	0.388	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-34.3	177.5	177.7	0	0	0	0	111.5	K323 N348 R349	K323-V351 HydrophobicContact CB-CG1 3.87Å; K323-V351 WeakPolarHBondContact CB-O 3.26Å; K323-V351 HydrophobicContact CG-CG1 3.91Å; N348-V351 HydrophobicContact CB-CG2 4.34Å; N348-V351 WeakPolarHBondContact O-CB 3.45Å; N348-V351 PolarHBondContact O-N 3.45Å; N348-V351 VanDerWaalsContact O-N 3.09Å; R349-V351 VanDerWaalsContact C-N 3.34Å
352	F	94.9	Very high	95.4	Very high	13 Å²	13	75.8 Å²	75.8	6%	0.057	36%	0.358	C	S	.	.	S	Bend	trans	-95.3	156.6	-177.7	-60.5	-76.7	0	0	0	111.4	L317 K323 L326 L328 F344 N348 S354 F355	L317-F352 HydrophobicContact CD2-CE2 3.83Å; L317-F352 HydrophobicContact CD2-CZ 3.61Å; K323-F352 HydrophobicContact CD-CE1 4.25Å; L326-F352 HydrophobicContact CB-CD1 3.9Å; L326-F352 HydrophobicContact CB-CE1 4.44Å; L326-F352 HydrophobicContact CD1-CE1 4.27Å; L328-F352 HydrophobicContact CD2-CD2 4.34Å; L328-F352 HydrophobicContact CD2-CE2 4.07Å; L328-F352 HydrophobicContact CD2-CZ 4.34Å; F344-F352 HydrophobicContact CE1-CE2 4.3Å; F344-F352 AromaticContact CZ-CE2 3.99Å; F344-F352 HydrophobicContact CZ-CE2 3.99Å; F344-F352 HydrophobicContact CZ-CZ 4.26Å; N348-F352 HydrophobicContact CB-CE2 4.32Å; F352-S354 VanDerWaalsContact C-N 3.25Å; F352-S354 PolarHBondContact O-N 2.99Å; F352-F355 HydrophobicContact CD2-CD1 4.08Å
353	K	94.4	Very high	95.3	Very high	100 Å²	100	76.9 Å²	76.9	44%	0.435	37%	0.367	S	S	.	.	S	Bend	trans	-59.4	-37.2	176.8	-171	172.9	-173.8	169	0	112.9	D295 K323 D324 L326 K327	D295-K353 IonicContact OD1-NZ 3.4Å; D295-K353 PolarHBondContact OD1-NZ 3.07Å; D295-K353 IonicContact OD2-NZ 3.63Å; D295-K353 PolarHBondContact OD2-NZ 3.37Å; K323-K353 PolarHBondContact O-N 2.91Å; D324-K353 WeakPolarHBondContact O-CB 3.21Å; D324-K353 WeakPolarHBondContact O-CD 3.4Å; L326-K353 WeakPolarHBondContact O-CB 3.44Å; L326-K353 PolarHBondContact O-N 3.22Å; K327-K353 HydrophobicContact CG-CB 4.14Å; K327-K353 HydrophobicContact CG-CD 4.24Å; K327-K353 HydrophobicContact CG-CG 4.38Å
354	S	95.7	Very high	95.1	Very high	53 Å²	53	70.7 Å²	70.7	37%	0.371	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	146.3	171.9	67	0	0	0	0	109.3	K327 L328 F352	K327-S354 CarbonylContact C-O 3.6Å; K327-S354 VanDerWaalsContact CB-OG 3.29Å; K327-S354 WeakPolarHBondContact CB-OG 3.27Å; K327-S354 WeakPolarHBondContact CG-OG 3.45Å; L328-S354 PolarHBondContact N-O 3.37Å; F352-S354 VanDerWaalsContact C-N 3.25Å; F352-S354 PolarHBondContact O-N 2.99Å
355	F	96.2	Very high	95	Very high	31 Å²	31	72.8 Å²	72.8	14%	0.136	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	111.1	176.3	-165.2	157.2	0	0	0	109.5	L328 V330 F344 W345 F352 V357	L328-F355 HydrophobicContact CB-CD2 4.24Å; L328-F355 HydrophobicContact CB-CG 4.29Å; L328-F355 HydrophobicContact CD2-CD1 3.99Å; L328-F355 HydrophobicContact CD2-CD2 4.01Å; L328-F355 HydrophobicContact CD2-CE1 3.71Å; L328-F355 HydrophobicContact CD2-CE2 3.71Å; L328-F355 HydrophobicContact CD2-CG 4.17Å; L328-F355 HydrophobicContact CD2-CZ 3.58Å; L328-F355 HydrophobicContact CG-CD2 4.23Å; L328-F355 HydrophobicContact CG-CE2 4.19Å; L328-F355 WeakPolarHBondContact O-CA 3.38Å; V330-F355 HydrophobicContact CB-CE2 4.33Å; V330-F355 HydrophobicContact CG2-CD2 4.46Å; V330-F355 HydrophobicContact CG2-CE2 3.53Å; V330-F355 HydrophobicContact CG2-CZ 4.07Å; F344-F355 AromaticContact CD1-CE1 3.74Å; F344-F355 HydrophobicContact CD1-CE1 3.74Å; F344-F355 AromaticContact CD1-CZ 3.69Å; F344-F355 HydrophobicContact CD1-CZ 3.69Å; F344-F355 AromaticContact CE1-CE1 3.62Å; F344-F355 HydrophobicContact CE1-CE1 3.62Å; F344-F355 AromaticContact CE1-CZ 3.78Å; F344-F355 HydrophobicContact CE1-CZ 3.78Å; W345-F355 HydrophobicContact CB-CE1 4.26Å; W345-F355 HydrophobicContact CB-CZ 4.23Å; W345-F355 AromaticContact CD1-CD1 3.87Å; W345-F355 AromaticContact CD1-CD2 3.88Å; W345-F355 AromaticContact CD1-CE1 3.94Å; W345-F355 AromaticContact CD1-CE2 3.97Å; W345-F355 AromaticContact CD1-CG 3.81Å; W345-F355 AromaticContact CD1-CZ 3.98Å; W345-F355 HydrophobicContact CG-CE1 4.47Å; F352-F355 HydrophobicContact CD2-CD1 4.08Å; F355-V357 HydrophobicContact CD2-CG2 3.93Å; F355-V357 HydrophobicContact CE2-CG2 3.43Å; F355-V357 VanDerWaalsContact CE2-CG2 3.43Å; F355-V357 HydrophobicContact CZ-CG2 4.26Å
356	K	96.6	Very high	94.9	Very high	96 Å²	96	72 Å²	72	42%	0.417	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.7	173	-176.1	175.9	178.7	-174.3	0	110.7	L328 F329 V330 L376	L328-K356 PolarHBondContact O-N 2.82Å; F329-K356 CarbonylContact C-O 3.5Å; F329-K356 WeakPolarHBondContact CA-O 3.37Å; F329-K356 HydrophobicContact CD2-CB 4.41Å; F329-K356 HydrophobicContact CD2-CD 4.16Å; F329-K356 HydrophobicContact CD2-CG 4.29Å; F329-K356 HydrophobicContact CE2-CD 4.43Å; V330-K356 PolarHBondContact N-O 3.49Å; K356-L376 HydrophobicContact CD-CD1 4.3Å
357	V	97.3	Very high	94.9	Very high	57 Å²	57	66.9 Å²	66.9	35%	0.345	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.7	172.7	-178.8	0	0	0	0	108.7	V330 I341 F355	V330-V357 HydrophobicContact CB-CG2 4.45Å; V330-V357 CarbonylContact O-C 3.49Å; V330-V357 WeakPolarHBondContact O-CA 3.49Å; I341-V357 HydrophobicContact CG2-CG1 3.94Å; I341-V357 HydrophobicContact CG2-CG2 4.08Å; F355-V357 HydrophobicContact CD2-CG2 3.93Å; F355-V357 HydrophobicContact CE2-CG2 3.43Å; F355-V357 VanDerWaalsContact CE2-CG2 3.43Å; F355-V357 HydrophobicContact CZ-CG2 4.26Å
358	V	97.9	Very high	94.9	Very high	10 Å²	10	65.9 Å²	65.9	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	113.5	170.2	178.3	0	0	0	0	106.5	F329 V330 H331 N332 E362 L364 M372	F329-V358 HydrophobicContact CE2-CB 4.47Å; F329-V358 HydrophobicContact CE2-CG2 3.6Å; F329-V358 HydrophobicContact CZ-CG2 4.1Å; V330-V358 PolarHBondContact O-N 2.96Å; H331-V358 WeakPolarHBondContact CA-O 3.43Å; N332-V358 PolarHBondContact N-O 3.49Å; V358-E362 HydrophobicContact CG1-CB 4.02Å; V358-E362 HydrophobicContact CG1-CG 3.95Å; V358-L364 HydrophobicContact CG1-CD1 3.86Å; V358-M372 HydrophobicContact CG2-SD 4.16Å
359	G	96.3	Very high	95	Very high	6 Å²	6	64.9 Å²	64.9	6%	0.062	33%	0.329	C	S	.	.			trans	-93	179.8	-175.7	0	0	0	0	0	113.8	N332 E361 E362	N332-G359 CarbonylContact O-C 3.51Å; G359-E361 WeakPolarHBondContact CA-OE1 3.28Å; G359-E361 WeakPolarHBondContact CA-OE2 3.33Å; G359-E361 PolarHBondContact N-OE1 3.15Å; G359-E361 PolarHBondContact O-N 2.88Å; G359-E362 PolarHBondContact O-N 2.89Å
360	P	94.8	Very high	95.2	Very high	22 Å²	22	59.6 Å²	59.6	14%	0.143	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-63.2	-21.3	-176.8	-20.2	32.7	0	0	0	113.6	N332 V335 E338 E362 N363	N332-P360 WeakPolarHBondContact O-CA 3.06Å; N332-P360 VanDerWaalsContact O-CD 3.26Å; N332-P360 WeakPolarHBondContact O-CD 3.38Å; N332-P360 WeakPolarHBondContact O-CG 3.34Å; V335-P360 HydrophobicContact CG2-CB 4.19Å; V335-P360 HydrophobicContact CG2-CG 4.23Å; E338-P360 HydrophobicContact CG-CG 4.37Å; E338-P360 WeakPolarHBondContact OE1-CD 3.2Å; E338-P360 WeakPolarHBondContact OE1-CG 3.48Å; P360-E362 PolarHBondContact O-N 3.27Å; P360-N363 PolarHBondContact O-N 3.26Å; P360-N363 VanDerWaalsContact O-N 3.1Å
361	E	94.3	Very high	95.3	Very high	136 Å²	136	53.8 Å²	53.8	64%	0.636	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-61.8	-25.6	179.9	67.9	-76.1	176.6	0	0	113.9	G359 N363	G359-E361 WeakPolarHBondContact CA-OE1 3.28Å; G359-E361 WeakPolarHBondContact CA-OE2 3.33Å; G359-E361 PolarHBondContact N-OE1 3.15Å; G359-E361 PolarHBondContact O-N 2.88Å; E361-N363 VanDerWaalsContact C-N 3.26Å; E361-N363 PolarHBondContact O-N 3.43Å
362	E	94.1	Very high	95.4	Very high	121 Å²	121	53.8 Å²	53.8	57%	0.565	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-78	-12.5	178.4	-66.1	-70.2	155.8	0	0	112.4	V358 G359 P360 L364	V358-E362 HydrophobicContact CG1-CB 4.02Å; V358-E362 HydrophobicContact CG1-CG 3.95Å; G359-E362 PolarHBondContact O-N 2.89Å; P360-E362 PolarHBondContact O-N 3.27Å; E362-L364 VanDerWaalsContact C-N 3.3Å; E362-L364 HydrophobicContact CB-CD1 4.49Å; E362-L364 HydrophobicContact CB-CG 4.19Å; E362-L364 PolarHBondContact O-N 3.34Å
363	N	92.6	Very high	95.4	Very high	138 Å²	138	53.1 Å²	53.1	74%	0.738	27%	0.272	S	S	*	.			trans	49.5	45.8	174.7	-170.8	51.3	0	0	0	113.7	P360 E361	P360-N363 PolarHBondContact O-N 3.26Å; P360-N363 VanDerWaalsContact O-N 3.1Å; E361-N363 VanDerWaalsContact C-N 3.26Å; E361-N363 PolarHBondContact O-N 3.43Å
364	L	94.1	Very high	95.5	Very high	33 Å²	33	48.4 Å²	48.4	17%	0.173	25%	0.251	C	S	.	.			trans	-84.4	139.9	176.4	-61.6	176.9	0	0	0	110.4	V358 E362 E368 A369 M372	V358-L364 HydrophobicContact CG1-CD1 3.86Å; E362-L364 VanDerWaalsContact C-N 3.3Å; E362-L364 HydrophobicContact CB-CD1 4.49Å; E362-L364 HydrophobicContact CB-CG 4.19Å; E362-L364 PolarHBondContact O-N 3.34Å; L364-E368 HydrophobicContact CB-CB 4.36Å; L364-E368 HydrophobicContact CD2-CB 4.37Å; L364-A369 HydrophobicContact CB-CB 4.46Å; L364-M372 HydrophobicContact CD1-CE 3.58Å; L364-M372 HydrophobicContact CD1-SD 4.46Å
365	S	93.9	Very high	95.5	Very high	54 Å²	54	47 Å²	47	38%	0.378	24%	0.24	S	C	.	.			trans	-67.7	155.7	165	66.6	0	0	0	0	110.9	G367 E368 A369	S365-G367 PolarHBondContact O-N 3.5Å; S365-G367 VanDerWaalsContact O-N 3.09Å; S365-E368 VanDerWaalsContact CB-OE2 3.3Å; S365-E368 WeakPolarHBondContact CB-OE2 3.35Å; S365-E368 PolarHBondContact N-OE2 3.39Å; S365-E368 PolarHBondContact O-N 3.04Å; S365-E368 VanDerWaalsContact OG-CG 3.28Å; S365-E368 WeakPolarHBondContact OG-CG 3.31Å; S365-E368 PolarHBondContact OG-N 3.2Å; S365-E368 PolarHBondContact OG-OE2 2.66Å; S365-A369 PolarHBondContact O-N 3.01Å
366	Q	93.8	Very high	95.5	Very high	74 Å²	74	48.5 Å²	48.5	35%	0.346	25%	0.249	S	C	.	.	H	α-helix	trans	-50.2	-40	176.1	-56.8	-168.7	-8.7	0	0	112.3	E303 R370 P487	E303-Q366 HydrophobicContact CB-CG 3.85Å; E303-Q366 VanDerWaalsContact CB-NE2 3.27Å; E303-Q366 HydrophobicContact CG-CB 4.33Å; E303-Q366 HydrophobicContact CG-CG 3.9Å; E303-Q366 WeakPolarHBondContact OE2-CG 3.36Å; Q366-R370 WeakPolarHBondContact O-CB 3.44Å; Q366-R370 VanDerWaalsContact O-CG 3.25Å; Q366-R370 WeakPolarHBondContact O-CG 3.41Å; Q366-R370 PolarHBondContact O-N 3.03Å; Q366-P487 HydrophobicContact CB-CG 4.02Å
367	G	94.8	Very high	95.5	Very high	3 Å²	3	44 Å²	44	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-38.2	179	0	0	0	0	0	113.4	S365 N371 F480	S365-G367 PolarHBondContact O-N 3.5Å; S365-G367 VanDerWaalsContact O-N 3.09Å; G367-N371 WeakPolarHBondContact O-CB 3.39Å; G367-N371 VanDerWaalsContact O-CG 3.31Å; G367-N371 PolarHBondContact O-N 3.03Å; G367-N371 PolarHBondContact O-ND2 2.93Å; G367-N371 VanDerWaalsContact O-ND2 3.16Å; G367-F480 WeakPolarHBondContact O-CB 3.39Å
368	E	95.5	Very high	95.5	Very high	97 Å²	97	42.2 Å²	42.2	45%	0.453	22%	0.216	S	C	.	.	H	α-helix	trans	-67.5	-41.8	175.8	-72.3	162.1	144.4	0	0	111.7	L364 S365 N371 M372 V481	L364-E368 HydrophobicContact CB-CB 4.36Å; L364-E368 HydrophobicContact CD2-CB 4.37Å; S365-E368 VanDerWaalsContact CB-OE2 3.3Å; S365-E368 WeakPolarHBondContact CB-OE2 3.35Å; S365-E368 PolarHBondContact N-OE2 3.39Å; S365-E368 PolarHBondContact O-N 3.04Å; S365-E368 VanDerWaalsContact OG-CG 3.28Å; S365-E368 WeakPolarHBondContact OG-CG 3.31Å; S365-E368 PolarHBondContact OG-N 3.2Å; S365-E368 PolarHBondContact OG-OE2 2.66Å; E368-N371 PolarHBondContact O-N 3.1Å; E368-M372 WeakPolarHBondContact O-CB 3.46Å; E368-M372 PolarHBondContact O-N 3.22Å; E368-V481 HydrophobicContact CG-CG2 4.36Å
369	A	96.8	Very high	95.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-46	175.1	0	0	0	0	0	112.3	F301 H331 L364 S365 M372 G373	F301-A369 HydrophobicContact CD1-CB 4.49Å; F301-A369 HydrophobicContact CE1-CB 4.34Å; H331-A369 HydrophobicContact CB-CB 4.08Å; H331-A369 VanDerWaalsContact CD2-CB 3.47Å; H331-A369 WeakPolarHBondContact CD2-CB 3.26Å; H331-A369 VanDerWaalsContact CE1-CB 3.47Å; H331-A369 WeakPolarHBondContact CE1-CB 3.33Å; H331-A369 WeakPolarHBondContact ND1-CB 3.43Å; L364-A369 HydrophobicContact CB-CB 4.46Å; S365-A369 PolarHBondContact O-N 3.01Å; A369-M372 WeakPolarHBondContact O-CB 3.45Å; A369-M372 PolarHBondContact O-N 3.12Å; A369-G373 PolarHBondContact O-N 3.37Å
370	R	97.1	Very high	95.3	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-40.2	177	-70.8	177.7	-170.2	-79.2	7.7	112.6	F301 Q366 M372 G373 M374 D390 F480	F301-R370 HydrophobicContact CD1-CG 3.78Å; F301-R370 HydrophobicContact CD2-CG 4.37Å; F301-R370 HydrophobicContact CE1-CB 4.16Å; F301-R370 HydrophobicContact CE1-CG 3.64Å; F301-R370 HydrophobicContact CE2-CG 4.24Å; F301-R370 HydrophobicContact CG-CG 4.17Å; F301-R370 HydrophobicContact CZ-CB 4.25Å; F301-R370 HydrophobicContact CZ-CG 3.88Å; Q366-R370 WeakPolarHBondContact O-CB 3.44Å; Q366-R370 VanDerWaalsContact O-CG 3.25Å; Q366-R370 WeakPolarHBondContact O-CG 3.41Å; Q366-R370 PolarHBondContact O-N 3.03Å; R370-M372 VanDerWaalsContact C-N 3.34Å; R370-G373 PolarHBondContact O-N 2.62Å; R370-M374 WeakPolarHBondContact O-CB 3.28Å; R370-M374 PolarHBondContact O-N 3.11Å; R370-D390 IonicContact CZ-OD1 3.51Å; R370-D390 IonicContact CZ-OD2 3.5Å; R370-D390 IonicContact NH1-OD1 3.83Å; R370-D390 PolarHBondContact NH1-OD1 3.3Å; R370-D390 IonicContact NH1-OD2 3.42Å; R370-D390 VanDerWaalsContact NH2-CG 3.27Å; R370-D390 IonicContact NH2-OD1 3.88Å; R370-D390 PolarHBondContact NH2-OD1 2.89Å; R370-D390 VanDerWaalsContact NH2-OD1 3.17Å; R370-D390 IonicContact NH2-OD2 3.92Å; R370-D390 PolarHBondContact NH2-OD2 3.47Å; R370-F480 HydrophobicContact CB-CB 4.23Å; R370-F480 HydrophobicContact CB-CD1 3.73Å; R370-F480 HydrophobicContact CB-CD2 3.61Å; R370-F480 HydrophobicContact CB-CE1 3.88Å; R370-F480 HydrophobicContact CB-CE2 3.76Å; R370-F480 HydrophobicContact CB-CG 3.6Å; R370-F480 HydrophobicContact CB-CZ 3.9Å; R370-F480 HydrophobicContact CG-CD1 4.31Å; R370-F480 HydrophobicContact CG-CE1 4.31Å
371	N	95.8	Very high	95.3	Very high	16 Å²	16	52.4 Å²	52.4	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-46.4	170.4	-77.7	-37	0	0	0	110.3	G367 E368 G373 M374 D375 R477 N478 H479 F480	G367-N371 WeakPolarHBondContact O-CB 3.39Å; G367-N371 VanDerWaalsContact O-CG 3.31Å; G367-N371 PolarHBondContact O-N 3.03Å; G367-N371 PolarHBondContact O-ND2 2.93Å; G367-N371 VanDerWaalsContact O-ND2 3.16Å; E368-N371 PolarHBondContact O-N 3.1Å; N371-G373 PolarHBondContact O-N 2.99Å; N371-M374 PolarHBondContact O-N 2.87Å; N371-D375 VanDerWaalsContact O-CB 3.25Å; N371-D375 WeakPolarHBondContact O-CB 3.26Å; N371-D375 VanDerWaalsContact O-CG 3.25Å; N371-D375 PolarHBondContact O-N 3Å; N371-R477 VanDerWaalsContact CG-O 3.23Å; N371-R477 PolarHBondContact OD1-O 2.56Å; N371-N478 PolarHBondContact ND2-OD1 3.04Å; N371-H479 PolarHBondContact OD1-N 3.24Å; N371-F480 WeakPolarHBondContact OD1-CD2 3.41Å; N371-F480 PolarHBondContact OD1-N 2.74Å
372	M	96.2	Very high	95.3	Very high	64 Å²	64	48.8 Å²	48.8	32%	0.315	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-49.3	178.6	-174.3	-175.7	-62.6	0	0	112.2	F329 V358 L364 E368 A369 R370 M374 D375 L376	F329-M372 HydrophobicContact CE2-CG 4.33Å; F329-M372 HydrophobicContact CE2-SD 4.02Å; F329-M372 HydrophobicContact CZ-CB 4.38Å; F329-M372 HydrophobicContact CZ-CG 4.22Å; F329-M372 HydrophobicContact CZ-SD 4.09Å; V358-M372 HydrophobicContact CG2-SD 4.16Å; L364-M372 HydrophobicContact CD1-CE 3.58Å; L364-M372 HydrophobicContact CD1-SD 4.46Å; E368-M372 WeakPolarHBondContact O-CB 3.46Å; E368-M372 PolarHBondContact O-N 3.22Å; A369-M372 WeakPolarHBondContact O-CB 3.45Å; A369-M372 PolarHBondContact O-N 3.12Å; R370-M372 VanDerWaalsContact C-N 3.34Å; M372-M374 VanDerWaalsContact C-N 3.35Å; M372-M374 PolarHBondContact O-N 3.33Å; M372-D375 PolarHBondContact O-N 2.89Å; M372-L376 WeakPolarHBondContact O-CG 3.37Å; M372-L376 PolarHBondContact O-N 3.45Å
373	G	95.9	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-44.6	178.6	0	0	0	0	0	112.5	L297 A369 R370 N371 L376 Y386	L297-G373 VanDerWaalsContact CD2-O 3.29Å; L297-G373 WeakPolarHBondContact CD2-O 3.44Å; A369-G373 PolarHBondContact O-N 3.37Å; R370-G373 PolarHBondContact O-N 2.62Å; N371-G373 PolarHBondContact O-N 2.99Å; G373-L376 PolarHBondContact O-N 2.59Å; G373-Y386 WeakPolarHBondContact O-CE2 3.19Å
374	M	96	Very high	95.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-37.9	177.4	-175.2	178	51.8	0	0	112.5	R370 N371 M372 L376 C377 R378 Y386 L470 H479 F480	R370-M374 WeakPolarHBondContact O-CB 3.28Å; R370-M374 PolarHBondContact O-N 3.11Å; N371-M374 PolarHBondContact O-N 2.87Å; M372-M374 VanDerWaalsContact C-N 3.35Å; M372-M374 PolarHBondContact O-N 3.33Å; M374-L376 VanDerWaalsContact C-N 3.33Å; M374-L376 PolarHBondContact O-N 2.88Å; M374-C377 PolarHBondContact O-N 3.38Å; M374-R378 PolarHBondContact O-N 3.48Å; M374-Y386 HydrophobicContact CB-CD1 4.48Å; M374-Y386 HydrophobicContact CB-CE1 4.06Å; M374-Y386 HydrophobicContact CG-CD1 4.42Å; M374-Y386 HydrophobicContact CG-CE1 4.42Å; M374-L470 HydrophobicContact CG-CD1 3.91Å; M374-L470 HydrophobicContact CG-CD2 3.56Å; M374-L470 HydrophobicContact CG-CG 4.37Å; M374-L470 HydrophobicContact SD-CD2 3.59Å; M374-L470 VanDerWaalsContact SD-CD2 3.59Å; M374-H479 HydrophobicContact CE-CB 3.98Å; M374-H479 VanDerWaalsContact CE-CD2 3.43Å; M374-H479 WeakPolarHBondContact CE-CD2 3.34Å; M374-F480 HydrophobicContact CB-CE2 4.42Å; M374-F480 HydrophobicContact CE-CD2 3.82Å; M374-F480 HydrophobicContact CE-CE2 3.49Å; M374-F480 VanDerWaalsContact CE-CE2 3.49Å; M374-F480 HydrophobicContact SD-CE2 3.87Å
375	D	95.6	Very high	95.9	Very high	24 Å²	24	37.1 Å²	37.1	13%	0.128	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-34.7	178	-82.7	31.4	0	0	0	112.1	N371 M372 C377 R378 N379	N371-D375 VanDerWaalsContact O-CB 3.25Å; N371-D375 WeakPolarHBondContact O-CB 3.26Å; N371-D375 VanDerWaalsContact O-CG 3.25Å; N371-D375 PolarHBondContact O-N 3Å; M372-D375 PolarHBondContact O-N 2.89Å; D375-C377 VanDerWaalsContact C-N 3.31Å; D375-C377 PolarHBondContact O-N 3.3Å; D375-R378 VanDerWaalsContact CG-NH1 3.29Å; D375-R378 PolarHBondContact O-N 2.97Å; D375-R378 IonicContact OD1-CZ 2.87Å; D375-R378 IonicContact OD1-NH1 3.19Å; D375-R378 PolarHBondContact OD1-NH1 2.98Å; D375-R378 IonicContact OD1-NH2 3.3Å; D375-R378 IonicContact OD2-NH1 2.78Å; D375-N379 WeakPolarHBondContact O-CB 3.19Å; D375-N379 VanDerWaalsContact O-CG 3.25Å; D375-N379 PolarHBondContact O-N 2.88Å; D375-N379 PolarHBondContact O-ND2 3.45Å
376	L	96.6	Very high	96.2	Very high	62 Å²	62	34.5 Å²	34.5	33%	0.325	20%	0.197	S	C	.	.	H	α-helix	trans	-58.6	-43.2	174.5	-71.7	172.4	0	0	0	111.3	L297 F329 K356 M372 G373 M374 D380	L297-L376 HydrophobicContact CD2-CB 3.61Å; F329-L376 HydrophobicContact CB-CD1 4.33Å; F329-L376 HydrophobicContact CD2-CD1 3.46Å; F329-L376 VanDerWaalsContact CD2-CD1 3.46Å; F329-L376 HydrophobicContact CE2-CD1 3.92Å; F329-L376 HydrophobicContact CG-CD1 3.99Å; K356-L376 HydrophobicContact CD-CD1 4.3Å; M372-L376 WeakPolarHBondContact O-CG 3.37Å; M372-L376 PolarHBondContact O-N 3.45Å; G373-L376 PolarHBondContact O-N 2.59Å; M374-L376 VanDerWaalsContact C-N 3.33Å; M374-L376 PolarHBondContact O-N 2.88Å; L376-D380 WeakPolarHBondContact O-CB 3.33Å; L376-D380 PolarHBondContact O-N 3.27Å
377	C	97.1	Very high	96.4	Very high	1 Å²	1	31 Å²	31	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-72.1	-37.8	173.9	-175.9	0	0	0	0	112.3	L297 M374 D375 N379 D380 C383 Y386 L470 R471	L297-C377 HydrophobicContact CB-CB 4.2Å; L297-C377 HydrophobicContact CD2-CB 3.77Å; M374-C377 PolarHBondContact O-N 3.38Å; D375-C377 VanDerWaalsContact C-N 3.31Å; D375-C377 PolarHBondContact O-N 3.3Å; C377-N379 VanDerWaalsContact C-N 3.33Å; C377-N379 PolarHBondContact O-N 2.98Å; C377-D380 PolarHBondContact O-N 2.93Å; C377-D380 VanDerWaalsContact O-O 3.1Å; C377-C383 VanDerWaalsContact CA-SG 3.58Å; C377-C383 HydrophobicContact CB-CB 3.97Å; C377-C383 WeakPolarHBondContact CB-SG 3.09Å; C377-C383 WeakPolarHBondContact O-CB 3.39Å; C377-C383 WeakPolarHBondContact SG-CB 3.43Å; C377-C383 CovalentContact SG-SG 2.04Å; C377-C383 PolarHBondContact SG-SG 3.39Å; C377-Y386 HydrophobicContact CB-CD2 4.1Å; C377-Y386 HydrophobicContact CB-CG 4.38Å; C377-L470 HydrophobicContact CB-CD1 4.06Å; C377-R471 PolarHBondContact O-NH1 2.82Å
378	R	95.4	Very high	96.6	Very high	20 Å²	20	30.9 Å²	30.9	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-42.9	179.1	-170.5	-178	-60.2	107.6	4.4	111.8	M374 D375 D380 L470 R471 L474 E476 H479	M374-R378 PolarHBondContact O-N 3.48Å; D375-R378 VanDerWaalsContact CG-NH1 3.29Å; D375-R378 PolarHBondContact O-N 2.97Å; D375-R378 IonicContact OD1-CZ 2.87Å; D375-R378 IonicContact OD1-NH1 3.19Å; D375-R378 PolarHBondContact OD1-NH1 2.98Å; D375-R378 IonicContact OD1-NH2 3.3Å; D375-R378 IonicContact OD2-NH1 2.78Å; R378-D380 VanDerWaalsContact C-N 3.29Å; R378-D380 PolarHBondContact O-N 3.25Å; R378-L470 HydrophobicContact CB-CB 4.18Å; R378-L470 WeakPolarHBondContact CD-O 3.49Å; R378-L470 HydrophobicContact CG-CB 4.19Å; R378-L470 PolarHBondContact NE-O 3.04Å; R378-R471 HydrophobicContact CG-CG 4.07Å; R378-R471 WeakPolarHBondContact O-CD 3.25Å; R378-R471 WeakPolarHBondContact O-CG 3.33Å; R378-L474 VanDerWaalsContact CZ-O 3.3Å; R378-L474 PolarHBondContact NE-O 3.29Å; R378-L474 PolarHBondContact NH2-O 3.09Å; R378-L474 VanDerWaalsContact NH2-O 3.08Å; R378-E476 VanDerWaalsContact CZ-O 3.27Å; R378-E476 PolarHBondContact NH1-O 2.78Å; R378-E476 PolarHBondContact NH2-O 3.17Å; R378-H479 PolarHBondContact NH2-CD2 3.5Å; R378-H479 PolarHBondContact NH2-NE2 3.01Å
379	N	95.5	Very high	96.7	Very high	118 Å²	118	26.4 Å²	26.4	63%	0.631	16%	0.158	S	C	*	.	H	α-helix	trans	-80.5	-10.7	-176.3	-63.9	-36.4	0	0	0	113.2	D375 C377	D375-N379 WeakPolarHBondContact O-CB 3.19Å; D375-N379 VanDerWaalsContact O-CG 3.25Å; D375-N379 PolarHBondContact O-N 2.88Å; D375-N379 PolarHBondContact O-ND2 3.45Å; C377-N379 VanDerWaalsContact C-N 3.33Å; C377-N379 PolarHBondContact O-N 2.98Å
380	D	95.6	Very high	96.8	Very high	50 Å²	50	27 Å²	27	27%	0.267	16%	0.162	S	C	.	.			trans	-102.3	108.8	177.6	-176	-5.4	0	0	0	110.8	K327 L376 C377 R378 S382 C383 R471	K327-D380 IonicContact NZ-OD2 2.74Å; K327-D380 PolarHBondContact NZ-OD2 2.95Å; L376-D380 WeakPolarHBondContact O-CB 3.33Å; L376-D380 PolarHBondContact O-N 3.27Å; C377-D380 PolarHBondContact O-N 2.93Å; C377-D380 VanDerWaalsContact O-O 3.1Å; R378-D380 VanDerWaalsContact C-N 3.29Å; R378-D380 PolarHBondContact O-N 3.25Å; D380-S382 PolarHBondContact O-N 3.32Å; D380-S382 WeakPolarHBondContact OD1-CB 3.18Å; D380-S382 PolarHBondContact OD1-N 2.98Å; D380-S382 PolarHBondContact OD1-OG 2.89Å; D380-S382 PolarHBondContact OD2-OG 2.59Å; D380-S382 VanDerWaalsContact OD2-OG 3.11Å; D380-C383 HydrophobicContact CB-CB 4.11Å; D380-C383 WeakPolarHBondContact O-CB 3.4Å; D380-C383 PolarHBondContact O-N 3.2Å; D380-R471 PolarHBondContact O-NH1 3.32Å; D380-R471 VanDerWaalsContact O-NH1 3.12Å
381	A	94.8	Very high	96.8	Very high	85 Å²	85	27 Å²	27	70%	0.702	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.4	178.6	0	0	0	0	0	113.3	C383	A381-C383 VanDerWaalsContact C-N 3.33Å
382	S	94.9	Very high	96.9	Very high	60 Å²	60	26.8 Å²	26.8	42%	0.42	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-20.1	175.6	71.6	0	0	0	0	112.9	D295 K327 D380 G384	D295-S382 WeakPolarHBondContact CB-O 3.28Å; K327-S382 PolarHBondContact NZ-OG 2.92Å; D380-S382 PolarHBondContact O-N 3.32Å; D380-S382 WeakPolarHBondContact OD1-CB 3.18Å; D380-S382 PolarHBondContact OD1-N 2.98Å; D380-S382 PolarHBondContact OD1-OG 2.89Å; D380-S382 PolarHBondContact OD2-OG 2.59Å; D380-S382 VanDerWaalsContact OD2-OG 3.11Å; S382-G384 PolarHBondContact O-N 3.44Å
383	C	97.3	Very high	97	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	107.3	178.6	-170.8	0	0	0	0	110.4	C377 D380 A381 Y385 R471	C377-C383 VanDerWaalsContact CA-SG 3.58Å; C377-C383 HydrophobicContact CB-CB 3.97Å; C377-C383 WeakPolarHBondContact CB-SG 3.09Å; C377-C383 WeakPolarHBondContact O-CB 3.39Å; C377-C383 WeakPolarHBondContact SG-CB 3.43Å; C377-C383 CovalentContact SG-SG 2.04Å; C377-C383 PolarHBondContact SG-SG 3.39Å; D380-C383 HydrophobicContact CB-CB 4.11Å; D380-C383 WeakPolarHBondContact O-CB 3.4Å; D380-C383 PolarHBondContact O-N 3.2Å; A381-C383 VanDerWaalsContact C-N 3.33Å; C383-Y385 PolarHBondContact SG-O 3.13Å; C383-R471 PolarHBondContact O-NH1 2.95Å; C383-R471 PolarHBondContact O-NH2 2.66Å; C383-R471 VanDerWaalsContact O-NH2 3.1Å
384	G	97.4	Very high	97.1	Very high	23 Å²	23	23.9 Å²	23.9	24%	0.237	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-42.3	178.3	0	0	0	0	0	111.7	D295 S382 G467	D295-G384 WeakPolarHBondContact O-CA 3.42Å; D295-G384 PolarHBondContact O-N 3.27Å; S382-G384 PolarHBondContact O-N 3.44Å; G384-G467 PolarHBondContact O-N 3.13Å
385	Y	98.6	Very high	97.2	Very high	21 Å²	21	24.4 Å²	24.4	8%	0.082	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.8	179.6	-62.7	-92.7	0	0	0	112.4	P294 D295 V296 L297 C383 I405 L464 I465 K466	P294-Y385 HydrophobicContact CB-CD2 3.95Å; P294-Y385 HydrophobicContact CB-CE2 3.92Å; P294-Y385 HydrophobicContact CG-CD2 3.92Å; P294-Y385 HydrophobicContact CG-CE2 3.7Å; D295-Y385 PolarHBondContact O-N 2.57Å; V296-Y385 WeakPolarHBondContact CA-O 3.25Å; L297-Y385 PolarHBondContact N-O 3.06Å; C383-Y385 PolarHBondContact SG-O 3.13Å; Y385-I405 HydrophobicContact CD1-CG1 4.33Å; Y385-I405 HydrophobicContact CD2-CD1 4.23Å; Y385-I405 HydrophobicContact CD2-CG1 4.14Å; Y385-I405 HydrophobicContact CD2-CG2 4.49Å; Y385-I405 HydrophobicContact CE1-CG1 4.37Å; Y385-I405 HydrophobicContact CE1-CG2 4.46Å; Y385-I405 HydrophobicContact CE2-CG1 4.24Å; Y385-I405 HydrophobicContact CE2-CG2 3.8Å; Y385-I405 HydrophobicContact CG-CG1 4.21Å; Y385-L464 HydrophobicContact CD1-CD1 4.28Å; Y385-L464 HydrophobicContact CD1-CD2 3.8Å; Y385-L464 HydrophobicContact CD1-CG 3.96Å; Y385-L464 HydrophobicContact CE1-CD2 4.28Å; Y385-L464 HydrophobicContact CG-CD1 4.34Å; Y385-L464 HydrophobicContact CG-CD2 4.45Å; Y385-I465 WeakPolarHBondContact CA-O 3.25Å; Y385-K466 HydrophobicContact CD1-CG 3.96Å; Y385-K466 HydrophobicContact CE1-CB 4.46Å; Y385-K466 HydrophobicContact CE1-CD 4.44Å; Y385-K466 HydrophobicContact CE1-CG 3.45Å; Y385-K466 VanDerWaalsContact CE1-CG 3.45Å
386	Y	98.7	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.4	168.5	177.6	-113.8	0	0	0	109.2	L297 F301 G373 M374 C377 L464 I465 L470	L297-Y386 HydrophobicContact CB-CD2 4.31Å; L297-Y386 HydrophobicContact CD2-CD2 4.06Å; L297-Y386 HydrophobicContact CD2-CE2 4.25Å; L297-Y386 HydrophobicContact CG-CD2 4.2Å; L297-Y386 HydrophobicContact CG-CE2 4.46Å; L297-Y386 CarbonylContact O-C 3.56Å; L297-Y386 WeakPolarHBondContact O-CA 3.22Å; F301-Y386 VanDerWaalsContact CE2-OH 3.3Å; F301-Y386 WeakPolarHBondContact CE2-OH 3.33Å; F301-Y386 VanDerWaalsContact CZ-OH 3.22Å; F301-Y386 WeakPolarHBondContact CZ-OH 3.42Å; G373-Y386 WeakPolarHBondContact O-CE2 3.19Å; M374-Y386 HydrophobicContact CB-CD1 4.48Å; M374-Y386 HydrophobicContact CB-CE1 4.06Å; M374-Y386 HydrophobicContact CG-CD1 4.42Å; M374-Y386 HydrophobicContact CG-CE1 4.42Å; C377-Y386 HydrophobicContact CB-CD2 4.1Å; C377-Y386 HydrophobicContact CB-CG 4.38Å; Y386-L464 CarbonylContact O-C 3.49Å; Y386-L464 WeakPolarHBondContact O-CA 3.36Å; Y386-I465 HydrophobicContact CD1-CD1 4.4Å; Y386-I465 PolarHBondContact N-O 3.4Å; Y386-I465 PolarHBondContact O-N 3.17Å; Y386-L470 HydrophobicContact CG-CD1 4.41Å
387	F	98.8	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	103.6	179	-176	-132.3	0	0	0	109.5	V296 L297 V298 G299 L319 L389 L395 L401 L404 I462 L464	V296-F387 HydrophobicContact CG1-CB 3.83Å; L297-F387 PolarHBondContact O-N 2.82Å; V298-F387 CarbonylContact C-O 3.6Å; V298-F387 VanDerWaalsContact CA-O 3.28Å; V298-F387 WeakPolarHBondContact CA-O 3.21Å; V298-F387 HydrophobicContact CG1-CD1 3.98Å; V298-F387 HydrophobicContact CG2-CB 4.46Å; V298-F387 HydrophobicContact CG2-CD1 4.19Å; G299-F387 PolarHBondContact N-O 3.07Å; L319-F387 HydrophobicContact CD1-CE1 4.45Å; F387-L389 HydrophobicContact CE1-CD2 4.43Å; F387-L395 HydrophobicContact CZ-CD1 4.3Å; F387-L401 HydrophobicContact CB-CD1 4.23Å; F387-L401 HydrophobicContact CD1-CD1 4.18Å; F387-L401 HydrophobicContact CD2-CD1 4.32Å; F387-L401 HydrophobicContact CG-CD1 4Å; F387-L404 HydrophobicContact CE2-CD1 3.94Å; F387-I462 HydrophobicContact CE2-CD1 3.92Å; F387-I462 HydrophobicContact CE2-CG1 3.69Å; F387-I462 HydrophobicContact CZ-CD1 3.71Å; F387-I462 HydrophobicContact CZ-CG1 3.94Å; F387-L464 HydrophobicContact CB-CD1 3.74Å; F387-L464 HydrophobicContact CD2-CB 4.28Å; F387-L464 HydrophobicContact CD2-CD1 4.01Å; F387-L464 HydrophobicContact CG-CD1 4.22Å
388	S	98.6	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133	176.4	-164.7	0	0	0	0	109.6	G299 F301 I462 Y463	G299-S388 CarbonylContact O-C 3.54Å; G299-S388 WeakPolarHBondContact O-CA 3.46Å; F301-S388 WeakPolarHBondContact CE2-OG 3.37Å; S388-I462 WeakPolarHBondContact O-CA 3.32Å; S388-Y463 VanDerWaalsContact CB-CZ 3.47Å; S388-Y463 PolarHBondContact N-O 3.1Å; S388-Y463 PolarHBondContact O-N 3.39Å; S388-Y463 VanDerWaalsContact O-N 3.13Å; S388-Y463 PolarHBondContact OG-OH 3.38Å
389	L	98.5	Very high	97.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	115.2	-177.4	-176.1	64.8	0	0	0	111.1	G299 V300 F301 F312 L316 F387 V393 L395 I462	G299-L389 PolarHBondContact O-N 3.01Å; V300-L389 VanDerWaalsContact CA-O 3.27Å; V300-L389 WeakPolarHBondContact CA-O 3.4Å; F301-L389 PolarHBondContact N-O 3.05Å; F301-L389 VanDerWaalsContact N-O 3.14Å; F312-L389 HydrophobicContact CE2-CD1 4.42Å; F312-L389 HydrophobicContact CE2-CD2 3.7Å; F312-L389 HydrophobicContact CE2-CG 3.73Å; F312-L389 HydrophobicContact CZ-CD2 3.57Å; F312-L389 HydrophobicContact CZ-CG 3.73Å; L316-L389 HydrophobicContact CD1-CD2 4.32Å; F387-L389 HydrophobicContact CE1-CD2 4.43Å; L389-V393 HydrophobicContact CD1-CB 3.7Å; L389-V393 HydrophobicContact CD1-CG1 3.76Å; L389-V393 HydrophobicContact CD1-CG2 4.23Å; L389-L395 HydrophobicContact CD1-CD1 4.29Å; L389-L395 HydrophobicContact CD2-CD1 4.35Å; L389-I462 HydrophobicContact CD1-CB 4.08Å; L389-I462 HydrophobicContact CD1-CD1 3.6Å; L389-I462 HydrophobicContact CD1-CG1 3.86Å
390	D	98.6	Very high	97.6	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	151.8	176.2	-69	10.1	0	0	0	111.1	F312 R370 D392 V393 H461	F312-D390 VanDerWaalsContact CE2-O 3.3Å; F312-D390 WeakPolarHBondContact CE2-O 3.22Å; R370-D390 IonicContact CZ-OD1 3.51Å; R370-D390 IonicContact CZ-OD2 3.5Å; R370-D390 IonicContact NH1-OD1 3.83Å; R370-D390 PolarHBondContact NH1-OD1 3.3Å; R370-D390 IonicContact NH1-OD2 3.42Å; R370-D390 VanDerWaalsContact NH2-CG 3.27Å; R370-D390 IonicContact NH2-OD1 3.88Å; R370-D390 PolarHBondContact NH2-OD1 2.89Å; R370-D390 VanDerWaalsContact NH2-OD1 3.17Å; R370-D390 IonicContact NH2-OD2 3.92Å; R370-D390 PolarHBondContact NH2-OD2 3.47Å; D390-D392 WeakPolarHBondContact CB-OD1 3.44Å; D390-D392 PolarHBondContact O-N 3.46Å; D390-D392 VanDerWaalsContact O-N 3.13Å; D390-V393 HydrophobicContact CB-CG2 4.49Å; D390-V393 WeakPolarHBondContact O-CB 3.4Å; D390-V393 PolarHBondContact O-N 3.33Å; D390-V393 VanDerWaalsContact O-N 3.16Å; D390-H461 HydrophobicContact CB-CB 4.42Å; D390-H461 WeakPolarHBondContact CB-O 3.42Å; D390-H461 PolarHBondContact N-O 3.26Å
391	S	98	Very high	97.7	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.028	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	-176.3	54.9	0	0	0	0	114.5	F301 T306 V393	F301-S391 PolarHBondContact O-N 2.55Å; F301-S391 PolarHBondContact O-OG 2.93Å; T306-S391 VanDerWaalsContact CG2-O 3.31Å; T306-S391 WeakPolarHBondContact CG2-O 3.45Å; T306-S391 PolarHBondContact OG1-OG 2.97Å; S391-V393 VanDerWaalsContact C-N 3.26Å; S391-V393 PolarHBondContact O-N 3.45Å
392	D	97.8	Very high	97.9	Very high	13 Å²	13	25.7 Å²	25.7	7%	0.07	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.5	179.7	65.3	-3.5	0	0	0	114	D390 H461 L534 I535 T537	D390-D392 WeakPolarHBondContact CB-OD1 3.44Å; D390-D392 PolarHBondContact O-N 3.46Å; D390-D392 VanDerWaalsContact O-N 3.13Å; D392-H461 VanDerWaalsContact CG-ND1 3.33Å; D392-H461 IonicContact OD1-CE1 2.62Å; D392-H461 IonicContact OD1-CG 3.55Å; D392-H461 IonicContact OD1-ND1 2.73Å; D392-H461 PolarHBondContact OD1-ND1 2.76Å; D392-H461 IonicContact OD2-CE1 3.7Å; D392-H461 PolarHBondContact OD2-CE1 3.44Å; D392-H461 IonicContact OD2-ND1 2.82Å; D392-H461 PolarHBondContact OD2-ND1 3.19Å; D392-L534 WeakPolarHBondContact O-CA 3.42Å; D392-I535 HydrophobicContact CB-CG1 4.02Å; D392-I535 WeakPolarHBondContact O-CG1 3.47Å; D392-I535 PolarHBondContact O-N 2.89Å; D392-T537 HydrophobicContact CB-CG2 3.91Å
393	V	98.4	Very high	98	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.2	178.7	-175.8	0	0	0	0	111.5	F312 L389 D390 S391 L395 V416 H461 I462 L534	F312-V393 WeakPolarHBondContact CD2-O 3.46Å; L389-V393 HydrophobicContact CD1-CB 3.7Å; L389-V393 HydrophobicContact CD1-CG1 3.76Å; L389-V393 HydrophobicContact CD1-CG2 4.23Å; D390-V393 HydrophobicContact CB-CG2 4.49Å; D390-V393 WeakPolarHBondContact O-CB 3.4Å; D390-V393 PolarHBondContact O-N 3.33Å; D390-V393 VanDerWaalsContact O-N 3.16Å; S391-V393 VanDerWaalsContact C-N 3.26Å; S391-V393 PolarHBondContact O-N 3.45Å; V393-L395 HydrophobicContact CG1-CD2 4.02Å; V393-L395 HydrophobicContact CG1-CG 4.19Å; V393-L395 PolarHBondContact O-N 2.98Å; V393-V416 HydrophobicContact CG1-CG1 4.32Å; V393-V416 HydrophobicContact CG1-CG2 4.46Å; V393-H461 HydrophobicContact CG2-CB 3.65Å; V393-I462 HydrophobicContact CG1-CB 4.27Å; V393-I462 HydrophobicContact CG1-CD1 4Å; V393-I462 HydrophobicContact CG1-CG2 4.15Å; V393-I462 HydrophobicContact CG2-CB 4.17Å; V393-I462 HydrophobicContact CG2-CG2 4.23Å; V393-L534 HydrophobicContact CG2-CD2 3.86Å
394	M	97.7	Very high	98	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	94.3	175.8	-66	-63.9	167.2	0	0	110.9	F308 F312 T396 G532 R533 I535 D558	F308-M394 HydrophobicContact CB-CE 3.9Å; F312-M394 HydrophobicContact CB-CE 3.98Å; F312-M394 HydrophobicContact CB-SD 4.22Å; M394-T396 PolarHBondContact O-N 2.86Å; M394-G532 WeakPolarHBondContact O-CA 3.19Å; M394-R533 HydrophobicContact CB-CG 3.99Å; M394-R533 PolarHBondContact N-O 3.01Å; M394-R533 PolarHBondContact O-N 3.39Å; M394-I535 HydrophobicContact CB-CG2 4.46Å; M394-I535 HydrophobicContact CE-CD1 3.58Å; M394-I535 HydrophobicContact CE-CG1 4.23Å; M394-I535 HydrophobicContact CE-CG2 4.43Å; M394-I535 HydrophobicContact CG-CG1 4.48Å; M394-I535 HydrophobicContact CG-CG2 3.55Å; M394-D558 WeakPolarHBondContact CG-OD1 3.24Å
395	L	97.8	Very high	98.1	Very high	12 Å²	12	22.7 Å²	22.7	6%	0.063	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	115.4	176.7	-68.3	-179.3	0	0	0	111.3	R315 L319 F387 L389 V393 T400 I462	R315-L395 VanDerWaalsContact CD-O 3.28Å; R315-L395 WeakPolarHBondContact CD-O 2.89Å; R315-L395 PolarHBondContact NH1-O 2.84Å; L319-L395 HydrophobicContact CD2-CD1 4.02Å; F387-L395 HydrophobicContact CZ-CD1 4.3Å; L389-L395 HydrophobicContact CD1-CD1 4.29Å; L389-L395 HydrophobicContact CD2-CD1 4.35Å; V393-L395 HydrophobicContact CG1-CD2 4.02Å; V393-L395 HydrophobicContact CG1-CG 4.19Å; V393-L395 PolarHBondContact O-N 2.98Å; L395-T400 HydrophobicContact CD1-CG2 4.36Å; L395-T400 HydrophobicContact CD2-CG2 4.08Å; L395-I462 HydrophobicContact CD1-CD1 4.14Å; L395-I462 HydrophobicContact CD2-CD1 3.66Å; L395-I462 HydrophobicContact CG-CD1 4.29Å
396	T	96.2	Very high	98	Very high	67 Å²	67	24.7 Å²	24.7	41%	0.411	12%	0.116	S	C	.	.			trans	-92.1	-27.1	173.6	51.6	0	0	0	0	111.8	M394 F531 G532	M394-T396 PolarHBondContact O-N 2.86Å; T396-F531 PolarHBondContact N-O 2.83Å; T396-F531 PolarHBondContact OG1-O 3.3Å; T396-G532 WeakPolarHBondContact OG1-CA 3.28Å
397	N	98.1	Very high	97.9	Very high	33 Å²	33	25.3 Å²	25.3	18%	0.176	12%	0.119	C	C	.	.			trans	-94.5	110.1	179.9	-171.7	-18.9	0	0	0	111	Q399 T400 E530 F531	N397-Q399 PolarHBondContact O-N 2.04Å; N397-Q399 WeakPolarHBondContact OD1-CB 2.99Å; N397-Q399 PolarHBondContact OD1-N 3.22Å; N397-T400 WeakPolarHBondContact O-CB 3.47Å; N397-T400 PolarHBondContact O-N 3.48Å; N397-T400 PolarHBondContact O-OG1 2.78Å; N397-E530 WeakPolarHBondContact CB-O 3.42Å; N397-E530 PolarHBondContact ND2-O 2.87Å; N397-F531 PolarHBondContact N-O 3.31Å
398	R	97.9	Very high	97.7	Very high	153 Å²	153	26.7 Å²	26.7	58%	0.577	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.2	-179.5	-64.5	179.1	178.6	179.7	1.2	113	T318 D320 T400	T318-R398 WeakPolarHBondContact O-CD 3.48Å; T318-R398 WeakPolarHBondContact O-CG 3.21Å; D320-R398 HydrophobicContact CB-CB 4.22Å; D320-R398 PolarHBondContact N-O 2.77Å; R398-T400 VanDerWaalsContact C-N 3.31Å; R398-T400 PolarHBondContact O-N 2.87Å
399	Q	97.9	Very high	97.6	Very high	99 Å²	99	28.7 Å²	28.7	46%	0.463	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	1.8	-179.4	-61.8	-179.7	-5.9	0	0	113.7	D320 N397 L401 K402 L403	D320-Q399 HydrophobicContact CB-CG 4.48Å; N397-Q399 PolarHBondContact O-N 2.04Å; N397-Q399 WeakPolarHBondContact OD1-CB 2.99Å; N397-Q399 PolarHBondContact OD1-N 3.22Å; Q399-L401 VanDerWaalsContact C-N 3.28Å; Q399-L401 PolarHBondContact O-N 2.96Å; Q399-L401 VanDerWaalsContact O-N 3.13Å; Q399-K402 PolarHBondContact O-N 3.28Å; Q399-L403 HydrophobicContact CB-CD1 4.01Å; Q399-L403 HydrophobicContact CB-CG 4.15Å; Q399-L403 WeakPolarHBondContact O-CG 3.46Å; Q399-L403 PolarHBondContact O-N 2.69Å
400	T	98.4	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-45.7	-49.7	-175.2	-64.2	0	0	0	0	112.9	L395 N397 R398 L403 L404 P414 I462 F531	L395-T400 HydrophobicContact CD1-CG2 4.36Å; L395-T400 HydrophobicContact CD2-CG2 4.08Å; N397-T400 WeakPolarHBondContact O-CB 3.47Å; N397-T400 PolarHBondContact O-N 3.48Å; N397-T400 PolarHBondContact O-OG1 2.78Å; R398-T400 VanDerWaalsContact C-N 3.31Å; R398-T400 PolarHBondContact O-N 2.87Å; T400-L403 PolarHBondContact O-N 3.08Å; T400-L404 HydrophobicContact CG2-CD1 3.83Å; T400-L404 HydrophobicContact CG2-CG 4.41Å; T400-L404 VanDerWaalsContact O-CG 3.23Å; T400-L404 WeakPolarHBondContact O-CG 3.44Å; T400-L404 PolarHBondContact O-N 2.97Å; T400-P414 HydrophobicContact CG2-CB 4.28Å; T400-P414 HydrophobicContact CG2-CG 4.03Å; T400-I462 HydrophobicContact CG2-CD1 4.5Å; T400-F531 HydrophobicContact CG2-CD1 3.86Å; T400-F531 HydrophobicContact CG2-CE1 4.48Å
401	L	98.1	Very high	97.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-42.8	-177	-177.2	56.7	0	0	0	112.8	V296 Y321 L326 F387 Q399 L404 I405 L464	V296-L401 HydrophobicContact CB-CD2 4.44Å; V296-L401 HydrophobicContact CG1-CD1 4.17Å; V296-L401 HydrophobicContact CG1-CD2 4.21Å; V296-L401 HydrophobicContact CG2-CD2 4.27Å; Y321-L401 HydrophobicContact CD1-CD2 4.08Å; Y321-L401 HydrophobicContact CD2-CB 4.49Å; Y321-L401 HydrophobicContact CD2-CD2 3.84Å; Y321-L401 HydrophobicContact CD2-CG 4Å; Y321-L401 HydrophobicContact CE2-CD2 4.3Å; Y321-L401 HydrophobicContact CE2-CG 4.32Å; Y321-L401 HydrophobicContact CG-CD2 3.72Å; Y321-L401 HydrophobicContact CG-CG 4.38Å; L326-L401 HydrophobicContact CD2-CD2 3.8Å; F387-L401 HydrophobicContact CB-CD1 4.23Å; F387-L401 HydrophobicContact CD1-CD1 4.18Å; F387-L401 HydrophobicContact CD2-CD1 4.32Å; F387-L401 HydrophobicContact CG-CD1 4Å; Q399-L401 VanDerWaalsContact C-N 3.28Å; Q399-L401 PolarHBondContact O-N 2.96Å; Q399-L401 VanDerWaalsContact O-N 3.13Å; L401-L404 PolarHBondContact O-N 3.34Å; L401-I405 HydrophobicContact CD1-CD1 3.9Å; L401-I405 HydrophobicContact CD1-CG1 4.29Å; L401-I405 HydrophobicContact CG-CD1 3.93Å; L401-I405 VanDerWaalsContact O-CG1 3.3Å; L401-I405 WeakPolarHBondContact O-CG1 3.35Å; L401-I405 PolarHBondContact O-N 3.2Å; L401-I405 VanDerWaalsContact O-N 3.08Å; L401-L464 HydrophobicContact CD1-CD1 3.78Å
402	K	97.6	Very high	97.4	Very high	34 Å²	34	29.6 Å²	29.6	15%	0.148	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-50.9	176.1	-71.6	-179.8	176.4	163.4	0	110.8	L287 D320 Y321 Q399 L404 I405 E406	L287-K402 HydrophobicContact CD1-CB 3.84Å; L287-K402 HydrophobicContact CD1-CG 3.92Å; D320-K402 WeakPolarHBondContact O-CD 3.08Å; D320-K402 WeakPolarHBondContact O-CE 3.09Å; D320-K402 PolarHBondContact O-NZ 2.98Å; D320-K402 IonicContact OD1-NZ 3.52Å; D320-K402 PolarHBondContact OD1-NZ 3.41Å; D320-K402 IonicContact OD2-NZ 3.87Å; D320-K402 PolarHBondContact OD2-NZ 3.05Å; Y321-K402 HydrophobicContact CD2-CG 3.95Å; Y321-K402 HydrophobicContact CE2-CG 4.47Å; Q399-K402 PolarHBondContact O-N 3.28Å; K402-L404 VanDerWaalsContact C-N 3.27Å; K402-L404 PolarHBondContact O-N 3.49Å; K402-I405 PolarHBondContact O-N 2.76Å; K402-I405 VanDerWaalsContact O-N 3.08Å; K402-E406 WeakPolarHBondContact O-CB 3.33Å; K402-E406 VanDerWaalsContact O-CG 3.28Å; K402-E406 WeakPolarHBondContact O-CG 3.37Å; K402-E406 PolarHBondContact O-N 3.23Å
403	L	97.6	Very high	97.5	Very high	21 Å²	21	29 Å²	29	11%	0.11	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-36.9	-179.3	-67	170.4	0	0	0	112.7	Q399 T400 Q407 H529 F531	Q399-L403 HydrophobicContact CB-CD1 4.01Å; Q399-L403 HydrophobicContact CB-CG 4.15Å; Q399-L403 WeakPolarHBondContact O-CG 3.46Å; Q399-L403 PolarHBondContact O-N 2.69Å; T400-L403 PolarHBondContact O-N 3.08Å; L403-Q407 WeakPolarHBondContact O-CG 3Å; L403-Q407 PolarHBondContact O-N 3.49Å; L403-H529 HydrophobicContact CD1-CB 4.29Å; L403-F531 HydrophobicContact CB-CE1 4.09Å; L403-F531 HydrophobicContact CD1-CE1 3.83Å
404	L	98.2	Very high	97.5	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-72.7	-38.6	176.6	-66.3	171.9	0	0	0	112.5	F387 T400 L401 K402 Q407 I412 P414 L464 T526	F387-L404 HydrophobicContact CE2-CD1 3.94Å; T400-L404 HydrophobicContact CG2-CD1 3.83Å; T400-L404 HydrophobicContact CG2-CG 4.41Å; T400-L404 VanDerWaalsContact O-CG 3.23Å; T400-L404 WeakPolarHBondContact O-CG 3.44Å; T400-L404 PolarHBondContact O-N 2.97Å; L401-L404 PolarHBondContact O-N 3.34Å; K402-L404 VanDerWaalsContact C-N 3.27Å; K402-L404 PolarHBondContact O-N 3.49Å; L404-Q407 PolarHBondContact O-N 3.3Å; L404-I412 HydrophobicContact CB-CG2 4.24Å; L404-I412 HydrophobicContact CD2-CD1 4.33Å; L404-I412 HydrophobicContact CD2-CG1 4.01Å; L404-I412 HydrophobicContact CD2-CG2 4.24Å; L404-P414 HydrophobicContact CD1-CB 4.49Å; L404-P414 HydrophobicContact CD1-CG 4.04Å; L404-P414 HydrophobicContact CD2-CB 4.22Å; L404-P414 HydrophobicContact CD2-CG 4.5Å; L404-L464 HydrophobicContact CB-CB 4.36Å; L404-L464 HydrophobicContact CB-CD2 3.75Å; L404-L464 HydrophobicContact CD1-CB 4.41Å; L404-T526 HydrophobicContact CD2-CG2 3.84Å
405	I	98.1	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.3	-44	176.9	-70.3	167.7	0	0	0	110.6	L285 L287 P294 V296 Y321 Y385 L401 K402 Q407 N408 L464	L285-I405 HydrophobicContact CD2-CG2 3.85Å; L287-I405 HydrophobicContact CD1-CG2 4.48Å; L287-I405 HydrophobicContact CD2-CG2 3.78Å; P294-I405 HydrophobicContact CG-CG2 4.45Å; V296-I405 HydrophobicContact CG2-CD1 4.03Å; Y321-I405 HydrophobicContact CE2-CD1 3.7Å; Y385-I405 HydrophobicContact CD1-CG1 4.33Å; Y385-I405 HydrophobicContact CD2-CD1 4.23Å; Y385-I405 HydrophobicContact CD2-CG1 4.14Å; Y385-I405 HydrophobicContact CD2-CG2 4.49Å; Y385-I405 HydrophobicContact CE1-CG1 4.37Å; Y385-I405 HydrophobicContact CE1-CG2 4.46Å; Y385-I405 HydrophobicContact CE2-CG1 4.24Å; Y385-I405 HydrophobicContact CE2-CG2 3.8Å; Y385-I405 HydrophobicContact CG-CG1 4.21Å; L401-I405 HydrophobicContact CD1-CD1 3.9Å; L401-I405 HydrophobicContact CD1-CG1 4.29Å; L401-I405 HydrophobicContact CG-CD1 3.93Å; L401-I405 VanDerWaalsContact O-CG1 3.3Å; L401-I405 WeakPolarHBondContact O-CG1 3.35Å; L401-I405 PolarHBondContact O-N 3.2Å; L401-I405 VanDerWaalsContact O-N 3.08Å; K402-I405 PolarHBondContact O-N 2.76Å; K402-I405 VanDerWaalsContact O-N 3.08Å; I405-Q407 PolarHBondContact O-N 3.46Å; I405-N408 PolarHBondContact O-N 3.43Å; I405-L464 HydrophobicContact CB-CD2 4.42Å; I405-L464 HydrophobicContact CG1-CD2 3.6Å
406	E	96.9	Very high	97.5	Very high	62 Å²	62	29 Å²	29	29%	0.29	13%	0.134	S	C	.	.	H	α-helix	trans	-58.7	-31.3	178.7	-73	170.3	172.8	0	0	112.1	L284 L285 L287 K402 N408	L284-E406 CarbonylContact C-O 3.48Å; L284-E406 VanDerWaalsContact CA-O 3.25Å; L284-E406 WeakPolarHBondContact CA-O 3.29Å; L284-E406 VanDerWaalsContact CD2-O 3.32Å; L284-E406 WeakPolarHBondContact CD2-O 3.45Å; L285-E406 PolarHBondContact N-O 2.79Å; L285-E406 WeakPolarHBondContact O-CG 3.38Å; L287-E406 HydrophobicContact CD1-CG 3.66Å; L287-E406 HydrophobicContact CG-CG 3.71Å; K402-E406 WeakPolarHBondContact O-CB 3.33Å; K402-E406 VanDerWaalsContact O-CG 3.28Å; K402-E406 WeakPolarHBondContact O-CG 3.37Å; K402-E406 PolarHBondContact O-N 3.23Å; E406-N408 PolarHBondContact O-N 3.16Å; E406-N408 VanDerWaalsContact O-N 3.16Å
407	Q	96.2	Very high	97.6	Very high	13 Å²	13	27.6 Å²	27.6	6%	0.061	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.5	176.2	-76.5	-64.3	-19.6	0	0	114.5	C280 L403 L404 I405 R409 I412	C280-Q407 PolarHBondContact O-NE2 3.43Å; C280-Q407 VanDerWaalsContact O-NE2 3.16Å; C280-Q407 PolarHBondContact O-OE1 3.4Å; L403-Q407 WeakPolarHBondContact O-CG 3Å; L403-Q407 PolarHBondContact O-N 3.49Å; L404-Q407 PolarHBondContact O-N 3.3Å; I405-Q407 PolarHBondContact O-N 3.46Å; Q407-R409 HydrophobicContact CB-CG 4.46Å; Q407-R409 WeakPolarHBondContact O-CG 3.35Å; Q407-R409 PolarHBondContact O-N 2.87Å; Q407-R409 PolarHBondContact O-NH1 3.19Å; Q407-I412 HydrophobicContact CB-CD1 3.59Å; Q407-I412 HydrophobicContact CG-CD1 3.99Å
408	N	95.8	Very high	97.4	Very high	30 Å²	30	28.5 Å²	28.5	16%	0.16	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	26	169.5	-158.9	22.8	0	0	0	114.8	D283 L285 I405 E406 K466	D283-N408 VanDerWaalsContact CG-ND2 3.29Å; D283-N408 WeakPolarHBondContact O-CB 3.11Å; D283-N408 PolarHBondContact O-ND2 3.1Å; D283-N408 PolarHBondContact OD1-ND2 2.91Å; D283-N408 PolarHBondContact OD2-ND2 2.79Å; L285-N408 HydrophobicContact CB-CB 4.18Å; I405-N408 PolarHBondContact O-N 3.43Å; E406-N408 PolarHBondContact O-N 3.16Å; E406-N408 VanDerWaalsContact O-N 3.16Å; N408-K466 WeakPolarHBondContact O-CE 3.43Å; N408-K466 PolarHBondContact O-NZ 2.88Å; N408-K466 WeakPolarHBondContact OD1-CE 3.1Å; N408-K466 PolarHBondContact OD1-NZ 3.49Å
409	R	95.3	Very high	97.1	Very high	42 Å²	42	26.7 Å²	26.7	16%	0.158	12%	0.124	C	C	.	.			trans	-87.5	157	178.7	-58.2	-51.9	-178.4	-119	9.5	111.7	H279 D282 Q407 I412 K466 Y524	H279-R409 PolarHBondContact O-NH2 3.08Å; D282-R409 PolarHBondContact O-NH1 2.84Å; Q407-R409 HydrophobicContact CB-CG 4.46Å; Q407-R409 WeakPolarHBondContact O-CG 3.35Å; Q407-R409 PolarHBondContact O-N 2.87Å; Q407-R409 PolarHBondContact O-NH1 3.19Å; R409-I412 HydrophobicContact CB-CB 4.06Å; R409-I412 HydrophobicContact CB-CD1 4.46Å; R409-I412 HydrophobicContact CB-CG2 4.39Å; R409-I412 HydrophobicContact CG-CD1 4.12Å; R409-K466 WeakPolarHBondContact O-CD 3.43Å; R409-K466 VanDerWaalsContact O-CE 3.31Å; R409-K466 WeakPolarHBondContact O-CE 3.39Å; R409-Y524 HydrophobicContact CB-CD2 3.96Å; R409-Y524 HydrophobicContact CB-CE2 4.46Å; R409-Y524 HydrophobicContact CG-CD2 4.01Å; R409-Y524 HydrophobicContact CG-CE2 4.42Å; R409-Y524 HydrophobicContact CG-CG 4.26Å
410	K	95.8	Very high	96.7	Very high	34 Å²	34	25.9 Å²	25.9	15%	0.148	14%	0.142	C	C	.	.	S	Bend	trans	-63.3	-49.5	177	-72.8	-173.2	179.7	170	0	112.2	D48 I465 K466 V469 E473 V521	D48-K410 WeakPolarHBondContact OD1-CD 3.22Å; D48-K410 WeakPolarHBondContact OD1-CE 3.1Å; D48-K410 IonicContact OD1-NZ 3.32Å; D48-K410 PolarHBondContact OD1-NZ 2.91Å; D48-K410 IonicContact OD2-NZ 3.99Å; K410-I465 WeakPolarHBondContact O-CA 3.34Å; K410-K466 PolarHBondContact O-N 3.28Å; K410-V469 HydrophobicContact CB-CG1 4.47Å; K410-V469 HydrophobicContact CB-CG2 3.69Å; K410-V469 HydrophobicContact CD-CG2 4Å; K410-V469 HydrophobicContact CG-CG2 3.6Å; K410-E473 WeakPolarHBondContact CD-OE1 3.49Å; K410-E473 WeakPolarHBondContact CE-OE1 3.44Å; K410-E473 IonicContact NZ-OE1 2.56Å; K410-E473 PolarHBondContact NZ-OE1 3.36Å; K410-E473 IonicContact NZ-OE2 3.76Å; K410-E473 PolarHBondContact NZ-OE2 3.32Å; K410-V521 HydrophobicContact CB-CG1 4.05Å; K410-V521 HydrophobicContact CD-CG1 4.11Å
411	V	97.9	Very high	96.4	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124	175.5	-177.7	0	0	0	0	108.2	M459 L464 I465 V521 M523 Y524	V411-M459 HydrophobicContact CG1-CE 4.37Å; V411-M459 HydrophobicContact CG1-SD 3.49Å; V411-M459 WeakPolarHBondContact CG1-SD 3.29Å; V411-L464 WeakPolarHBondContact CA-O 3.29Å; V411-I465 HydrophobicContact CG1-CG1 4.2Å; V411-I465 HydrophobicContact CG2-CG1 4.21Å; V411-I465 HydrophobicContact CG2-CG2 4.16Å; V411-V521 HydrophobicContact CG2-CG1 3.95Å; V411-M523 HydrophobicContact CB-CG 4.19Å; V411-M523 HydrophobicContact CG1-CB 4.39Å; V411-M523 HydrophobicContact CG1-CG 3.97Å; V411-Y524 PolarHBondContact O-N 3.16Å
412	I	98.4	Very high	96.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138.5	179.9	-171.8	167.8	0	0	0	112.3	L404 Q407 R409 V453 Y463 L464 Y524 T526	L404-I412 HydrophobicContact CB-CG2 4.24Å; L404-I412 HydrophobicContact CD2-CD1 4.33Å; L404-I412 HydrophobicContact CD2-CG1 4.01Å; L404-I412 HydrophobicContact CD2-CG2 4.24Å; Q407-I412 HydrophobicContact CB-CD1 3.59Å; Q407-I412 HydrophobicContact CG-CD1 3.99Å; R409-I412 HydrophobicContact CB-CB 4.06Å; R409-I412 HydrophobicContact CB-CD1 4.46Å; R409-I412 HydrophobicContact CB-CG2 4.39Å; R409-I412 HydrophobicContact CG-CD1 4.12Å; I412-V453 HydrophobicContact CD1-CG1 4.42Å; I412-Y463 CarbonylContact O-C 3.58Å; I412-L464 HydrophobicContact CG2-CB 4.14Å; I412-L464 HydrophobicContact CG2-CD2 4.36Å; I412-L464 PolarHBondContact N-O 3.04Å; I412-L464 PolarHBondContact O-N 3.33Å; I412-Y524 CarbonylContact C-O 3.27Å; I412-Y524 VanDerWaalsContact CA-O 3.26Å; I412-Y524 WeakPolarHBondContact CA-O 3.42Å; I412-T526 HydrophobicContact CD1-CG2 4.07Å; I412-T526 HydrophobicContact CG1-CG2 4.33Å
413	G	98.4	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.5	174.7	0	0	0	0	0	111.5	Y524 I525 T526	G413-Y524 PolarHBondContact N-O 2.99Å; G413-I525 CarbonylContact O-C 3.54Å; G413-I525 WeakPolarHBondContact O-CA 3.44Å; G413-I525 WeakPolarHBondContact O-CD1 3.47Å; G413-T526 PolarHBondContact O-N 3.28Å
414	P	98.4	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.1	166.8	31.6	-29.9	0	0	0	109.8	T400 L404 V416 N425 I462 F531	T400-P414 HydrophobicContact CG2-CB 4.28Å; T400-P414 HydrophobicContact CG2-CG 4.03Å; L404-P414 HydrophobicContact CD1-CB 4.49Å; L404-P414 HydrophobicContact CD1-CG 4.04Å; L404-P414 HydrophobicContact CD2-CB 4.22Å; L404-P414 HydrophobicContact CD2-CG 4.5Å; P414-V416 PolarHBondContact O-N 3.46Å; P414-N425 PolarHBondContact O-ND2 3.03Å; P414-N425 PolarHBondContact O-OD1 3.3Å; P414-I462 HydrophobicContact CG-CB 4.46Å; P414-I462 HydrophobicContact CG-CD1 3.38Å; P414-I462 HydrophobicContact CG-CG1 3.76Å; P414-I462 HydrophobicContact CG-CG2 3.92Å; P414-F531 HydrophobicContact CB-CB 3.6Å; P414-F531 HydrophobicContact CB-CD1 3.72Å; P414-F531 HydrophobicContact CB-CD2 3.42Å; P414-F531 VanDerWaalsContact CB-CD2 3.42Å; P414-F531 HydrophobicContact CB-CE1 4.2Å; P414-F531 HydrophobicContact CB-CE2 3.95Å; P414-F531 HydrophobicContact CB-CG 3.29Å; P414-F531 HydrophobicContact CB-CZ 4.31Å; P414-F531 HydrophobicContact CG-CB 4.48Å
415	L	98.6	Very high	96	Very high	13 Å²	13	40 Å²	40	7%	0.068	20%	0.203	C	C	.	.			trans	-67.4	119.9	171.1	177.8	65.4	0	0	0	109.6	T417 F426 I525 T526 N527	L415-T417 HydrophobicContact CD1-CG2 4.23Å; L415-T417 HydrophobicContact CD2-CG2 4.5Å; L415-T417 HydrophobicContact CG-CG2 4.23Å; L415-F426 HydrophobicContact CD1-CD1 3.56Å; L415-F426 HydrophobicContact CD1-CE1 3.55Å; L415-I525 HydrophobicContact CB-CG1 4.04Å; L415-I525 HydrophobicContact CD1-CG1 4.42Å; L415-T526 WeakPolarHBondContact CB-O 3.12Å; L415-T526 PolarHBondContact N-O 3.36Å; L415-N527 HydrophobicContact CB-CB 3.85Å; L415-N527 HydrophobicContact CD2-CB 3.48Å; L415-N527 VanDerWaalsContact CD2-CB 3.48Å; L415-N527 HydrophobicContact CG-CB 4.3Å
416	V	98.1	Very high	96	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139	168.4	-65.6	0	0	0	0	109.7	V393 P414 S424 N425 I462 F531 L534	V393-V416 HydrophobicContact CG1-CG1 4.32Å; V393-V416 HydrophobicContact CG1-CG2 4.46Å; P414-V416 PolarHBondContact O-N 3.46Å; V416-S424 WeakPolarHBondContact O-CA 3.48Å; V416-S424 WeakPolarHBondContact O-CB 3.41Å; V416-N425 HydrophobicContact CG2-CB 3.75Å; V416-N425 VanDerWaalsContact CG2-CG 3.45Å; V416-N425 PolarHBondContact N-OD1 2.86Å; V416-N425 PolarHBondContact O-N 3.47Å; V416-N425 PolarHBondContact O-OD1 3.02Å; V416-I462 HydrophobicContact CG2-CG2 3.79Å; V416-F531 HydrophobicContact CG1-CB 4.46Å; V416-L534 HydrophobicContact CB-CG 4.25Å; V416-L534 HydrophobicContact CG2-CD1 4.3Å; V416-L534 HydrophobicContact CG2-CD2 3.66Å; V416-L534 HydrophobicContact CG2-CG 3.72Å
417	T	97.1	Very high	96	Very high	38 Å²	38	39 Å²	39	23%	0.233	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.9	-173.9	59.2	0	0	0	0	110.4	L415 W423 V446 R533 L534	L415-T417 HydrophobicContact CD1-CG2 4.23Å; L415-T417 HydrophobicContact CD2-CG2 4.5Å; L415-T417 HydrophobicContact CG-CG2 4.23Å; T417-W423 WeakPolarHBondContact CA-O 3.47Å; T417-V446 HydrophobicContact CG2-CG1 3.87Å; T417-R533 VanDerWaalsContact O-CA 3.32Å; T417-R533 WeakPolarHBondContact O-CA 3.47Å; T417-R533 WeakPolarHBondContact O-CB 3.47Å; T417-L534 PolarHBondContact O-N 3Å
418	R	94.8	Very high	95.9	Very high	51 Å²	51	39 Å²	39	19%	0.192	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.2	169.2	-172.6	165.2	173.4	179.5	-3.8	109.7	G420 K421 W423 L534 S536 E554	R418-G420 PolarHBondContact O-N 2.8Å; R418-K421 HydrophobicContact CB-CB 4.32Å; R418-K421 HydrophobicContact CG-CD 4.16Å; R418-K421 PolarHBondContact O-N 3.21Å; R418-W423 HydrophobicContact CB-CB 4.36Å; R418-W423 PolarHBondContact N-O 3.28Å; R418-L534 WeakPolarHBondContact CA-O 3.32Å; R418-L534 HydrophobicContact CB-CB 4.45Å; R418-S536 PolarHBondContact NH1-OG 3.22Å; R418-S536 VanDerWaalsContact NH1-OG 3.16Å; R418-S536 PolarHBondContact NH2-OG 2.73Å; R418-E554 IonicContact NH2-OE2 3.14Å; R418-E554 PolarHBondContact NH2-OE2 2.77Å
419	H	91.1	Very high	95.7	Very high	115 Å²	115	38.9 Å²	38.9	53%	0.532	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	128.6	-174	-173.9	76.3	0	0	0	112.1	K421	H419-K421 PolarHBondContact O-N 3.13Å
420	G	89.4	Confident	95.5	Very high	82 Å²	82	38.9 Å²	38.9	85%	0.845	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	9.9	179.5	0	0	0	0	0	115.7	R418	R418-G420 PolarHBondContact O-N 2.8Å
421	K	93.6	Very high	95	Very high	102 Å²	102	39.2 Å²	39.2	44%	0.443	21%	0.213	S	C	.	.	S	Bend	trans	-128.1	165.1	-177.2	-63.2	-178.4	-176.8	178.9	0	111	R418 H419	R418-K421 HydrophobicContact CB-CB 4.32Å; R418-K421 HydrophobicContact CG-CD 4.16Å; R418-K421 PolarHBondContact O-N 3.21Å; H419-K421 PolarHBondContact O-N 3.13Å
422	L	94.5	Very high	94.1	Very high	59 Å²	59	47.8 Å²	47.8	31%	0.309	26%	0.257	S	S	.	.	S	Bend	trans	-85	-14.9	174.8	-68.8	176	0	0	0	113.5	S424 Y442 V443 V446 Q447	L422-S424 PolarHBondContact O-N 3.23Å; L422-Y442 HydrophobicContact CB-CE1 4.44Å; L422-Y442 PolarHBondContact O-OH 3.06Å; L422-V443 HydrophobicContact CD1-CG2 4.1Å; L422-V443 HydrophobicContact CD2-CG1 4.23Å; L422-V446 HydrophobicContact CD2-CB 4.43Å; L422-V446 HydrophobicContact CD2-CG1 3.83Å; L422-Q447 HydrophobicContact CD2-CG 4.22Å
423	W	93.8	Very high	93	Very high	176 Å²	176	54.4 Å²	54.4	67%	0.667	29%	0.292	S	S	*	.			trans	-59.9	126	179.3	-69.2	99.4	0	0	0	110.7	T417 R418	T417-W423 WeakPolarHBondContact CA-O 3.47Å; R418-W423 HydrophobicContact CB-CB 4.36Å; R418-W423 PolarHBondContact N-O 3.28Å
424	S	96.4	Very high	92.3	Very high	15 Å²	15	55.6 Å²	55.6	11%	0.105	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-141.6	169.5	-174.3	66.2	0	0	0	0	111.4	V416 L422 F426 Y442	V416-S424 WeakPolarHBondContact O-CA 3.48Å; V416-S424 WeakPolarHBondContact O-CB 3.41Å; L422-S424 PolarHBondContact O-N 3.23Å; S424-F426 PolarHBondContact O-N 3.44Å; S424-F426 VanDerWaalsContact O-N 3.09Å; S424-F426 VanDerWaalsContact OG-CD1 3.28Å; S424-F426 WeakPolarHBondContact OG-CD1 3.49Å; S424-F426 WeakPolarHBondContact OG-CE1 3.41Å; S424-Y442 PolarHBondContact OG-OH 3.2Å
425	N	97.8	Very high	91.8	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.326	C	S	.	.	S	Bend	trans	-79	23.2	-178.3	70.4	-43.1	0	0	0	115.2	P414 V416 M459 A460 H461 I462 L534	P414-N425 PolarHBondContact O-ND2 3.03Å; P414-N425 PolarHBondContact O-OD1 3.3Å; V416-N425 HydrophobicContact CG2-CB 3.75Å; V416-N425 VanDerWaalsContact CG2-CG 3.45Å; V416-N425 PolarHBondContact N-OD1 2.86Å; V416-N425 PolarHBondContact O-N 3.47Å; V416-N425 PolarHBondContact O-OD1 3.02Å; N425-M459 WeakPolarHBondContact O-CA 3.33Å; N425-A460 WeakPolarHBondContact CB-O 3.37Å; N425-A460 PolarHBondContact O-N 3.33Å; N425-H461 HydrophobicContact CB-CB 4.24Å; N425-I462 WeakPolarHBondContact ND2-CG2 3.2Å; N425-L534 HydrophobicContact CB-CD1 4.27Å
426	F	97.8	Very high	91.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.8	178	87.1	-79.5	0	0	0	112.7	L415 S424 Y442 I445 V446 I456 F458 I525	L415-F426 HydrophobicContact CD1-CD1 3.56Å; L415-F426 HydrophobicContact CD1-CE1 3.55Å; S424-F426 PolarHBondContact O-N 3.44Å; S424-F426 VanDerWaalsContact O-N 3.09Å; S424-F426 VanDerWaalsContact OG-CD1 3.28Å; S424-F426 WeakPolarHBondContact OG-CD1 3.49Å; S424-F426 WeakPolarHBondContact OG-CE1 3.41Å; F426-Y442 HydrophobicContact CD1-CE2 4.27Å; F426-Y442 HydrophobicContact CE1-CD2 4.1Å; F426-Y442 AromaticContact CE1-CE2 3.73Å; F426-Y442 HydrophobicContact CE1-CE2 3.73Å; F426-Y442 AromaticContact CE2-CD2 3.79Å; F426-Y442 HydrophobicContact CE2-CD2 3.79Å; F426-Y442 HydrophobicContact CE2-CE2 4.03Å; F426-Y442 AromaticContact CZ-CD2 3.48Å; F426-Y442 HydrophobicContact CZ-CD2 3.48Å; F426-Y442 VanDerWaalsContact CZ-CD2 3.48Å; F426-Y442 AromaticContact CZ-CE2 3.6Å; F426-Y442 HydrophobicContact CZ-CE2 3.6Å; F426-Y442 WeakPolarHBondContact O-CE2 3.32Å; F426-I445 HydrophobicContact CE1-CG2 4.14Å; F426-I445 HydrophobicContact CZ-CB 4.18Å; F426-I445 HydrophobicContact CZ-CG2 3.71Å; F426-V446 HydrophobicContact CE1-CG2 3.81Å; F426-V446 HydrophobicContact CZ-CG2 4.26Å; F426-I456 HydrophobicContact CB-CD1 3.67Å; F426-I456 HydrophobicContact CD2-CB 4.35Å; F426-I456 HydrophobicContact CD2-CD1 4.29Å; F426-I456 HydrophobicContact CD2-CG2 3.71Å; F426-I456 HydrophobicContact CE2-CG2 4.09Å; F426-I456 HydrophobicContact CG-CD1 4.34Å; F426-F458 CarbonylContact C-O 3.46Å; F426-F458 WeakPolarHBondContact CA-O 3.29Å; F426-F458 WeakPolarHBondContact CB-O 3.28Å; F426-I525 HydrophobicContact CB-CD1 4.26Å; F426-I525 HydrophobicContact CB-CG1 4.4Å; F426-I525 HydrophobicContact CD1-CG1 4.33Å; F426-I525 HydrophobicContact CD2-CG2 4.13Å; F426-I525 HydrophobicContact CE2-CG2 4.42Å; F426-I525 HydrophobicContact CG-CG1 4.39Å; F426-I525 HydrophobicContact CG-CG2 4.18Å
427	W	97.3	Very high	91.1	Very high	42 Å²	42	65.3 Å²	65.3	16%	0.159	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.3	166.5	-48.2	-20.6	0	0	0	109.7	L430 Y435 Y436 P457 F458 M489	W427-L430 HydrophobicContact CE3-CD2 3.67Å; W427-L430 HydrophobicContact CZ3-CD2 4.08Å; W427-Y435 VanDerWaalsContact CZ3-C 3.48Å; W427-Y436 HydrophobicContact CB-CD2 4.11Å; W427-Y436 AromaticContact CD1-CD2 3.49Å; W427-Y436 VanDerWaalsContact CD1-CD2 3.49Å; W427-Y436 AromaticContact CD1-CE2 3.98Å; W427-Y436 AromaticContact CD2-CD2 3.83Å; W427-Y436 HydrophobicContact CD2-CD2 3.83Å; W427-Y436 HydrophobicContact CD2-CG 4.45Å; W427-Y436 AromaticContact CE2-CD2 3.9Å; W427-Y436 AromaticContact CG-CD2 3.57Å; W427-Y436 HydrophobicContact CG-CD2 3.57Å; W427-Y436 HydrophobicContact CG-CE2 4.25Å; W427-Y436 AromaticContact NE1-CD2 3.72Å; W427-P457 WeakPolarHBondContact O-CD 3.5Å; W427-P457 WeakPolarHBondContact O-CG 3.36Å; W427-F458 HydrophobicContact CB-CB 3.92Å; W427-F458 HydrophobicContact CB-CD1 4.2Å; W427-F458 HydrophobicContact CB-CG 4.43Å; W427-F458 AromaticContact CD1-CD1 3.54Å; W427-F458 AromaticContact CD1-CE1 3.95Å; W427-F458 HydrophobicContact CD2-CB 3.83Å; W427-F458 AromaticContact CD2-CD1 3.44Å; W427-F458 HydrophobicContact CD2-CD1 3.44Å; W427-F458 VanDerWaalsContact CD2-CD1 3.44Å; W427-F458 HydrophobicContact CD2-CD2 4.26Å; W427-F458 HydrophobicContact CD2-CE1 4.04Å; W427-F458 AromaticContact CD2-CG 3.58Å; W427-F458 HydrophobicContact CD2-CG 3.58Å; W427-F458 AromaticContact CE2-CD1 3.58Å; W427-F458 AromaticContact CE2-CE1 3.65Å; W427-F458 HydrophobicContact CE3-CB 3.74Å; W427-F458 HydrophobicContact CE3-CD1 4.07Å; W427-F458 HydrophobicContact CE3-CD2 4.09Å; W427-F458 AromaticContact CE3-CG 3.7Å; W427-F458 HydrophobicContact CE3-CG 3.7Å; W427-F458 HydrophobicContact CG-CB 3.91Å; W427-F458 AromaticContact CG-CD1 3.45Å; W427-F458 HydrophobicContact CG-CD1 3.45Å; W427-F458 VanDerWaalsContact CG-CD1 3.45Å; W427-F458 HydrophobicContact CG-CE1 4.24Å; W427-F458 AromaticContact CG-CG 3.89Å; W427-F458 HydrophobicContact CG-CG 3.89Å; W427-F458 HydrophobicContact CH2-CD2 4.45Å; W427-F458 HydrophobicContact CH2-CE2 4.41Å; W427-F458 HydrophobicContact CZ2-CD1 4.33Å; W427-F458 HydrophobicContact CZ2-CE1 4.12Å; W427-F458 HydrophobicContact CZ2-CE2 4.37Å; W427-F458 HydrophobicContact CZ2-CZ 4.13Å; W427-F458 HydrophobicContact CZ3-CD2 4.18Å; W427-F458 HydrophobicContact CZ3-CG 4.26Å; W427-F458 PolarHBondContact N-O 2.98Å; W427-F458 AromaticContact NE1-CD1 3.57Å; W427-F458 AromaticContact NE1-CE1 3.55Å; W427-M489 HydrophobicContact CH2-CG 3.91Å; W427-M489 HydrophobicContact CH2-SD 3.56Å; W427-M489 VanDerWaalsContact CH2-SD 3.56Å; W427-M489 HydrophobicContact CZ3-CG 4.24Å; W427-M489 HydrophobicContact CZ3-SD 4.08Å
428	G	93.6	Very high	90.9	Very high	12 Å²	12	71 Å²	71	12%	0.124	36%	0.364	C	S	.	.	S	Bend	trans	-85.3	-18.4	176.9	0	0	0	0	0	114.1	S439	G428-S439 WeakPolarHBondContact CA-OG 3.45Å
429	A	92.1	Very high	90.9	Very high	28 Å²	28	69.1 Å²	69.1	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.5	179.3	0	0	0	0	0	111.5	A437	A429-A437 CarbonylContact C-O 3.37Å; A429-A437 HydrophobicContact CB-CB 3.98Å; A429-A437 PolarHBondContact N-O 3.33Å; A429-A437 PolarHBondContact O-N 3.34Å
430	L	89.8	Confident	91	Very high	42 Å²	42	70.1 Å²	70.1	22%	0.22	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.8	173	-60.3	177.3	0	0	0	110.1	M258 W427 Y435 P457	M258-L430 HydrophobicContact CG-CD1 4.44Å; W427-L430 HydrophobicContact CE3-CD2 3.67Å; W427-L430 HydrophobicContact CZ3-CD2 4.08Å; L430-Y435 CarbonylContact C-O 3.54Å; L430-Y435 VanDerWaalsContact CA-O 3.29Å; L430-Y435 WeakPolarHBondContact CA-O 3.35Å; L430-P457 HydrophobicContact CD1-CB 3.84Å; L430-P457 HydrophobicContact CD2-CB 4.11Å; L430-P457 HydrophobicContact CD2-CG 4.4Å; L430-P457 HydrophobicContact CG-CB 3.68Å; L430-P457 HydrophobicContact CG-CG 4.11Å
431	S	86.4	Confident	91.3	Very high	42 Å²	42	66.4 Å²	66.4	29%	0.294	33%	0.325	S	S	.	.			trans	-69.6	170.3	164.5	74.6	0	0	0	0	110.6	D433 G434 Y435	S431-D433 PolarHBondContact O-N 2.86Å; S431-D433 PolarHBondContact OG-N 2.89Å; S431-G434 PolarHBondContact O-N 3.32Å; S431-Y435 PolarHBondContact N-O 3.18Å; S431-Y435 PolarHBondContact OG-N 2.76Å
432	L	77.9	Confident	91.5	Very high	184 Å²	184	61.8 Å²	61.8	96%	0.963	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29	175.7	-67.2	173.6	0	0	0	112.7	G434	L432-G434 VanDerWaalsContact C-N 3.26Å; L432-G434 PolarHBondContact O-N 3.25Å
433	D	77.1	Confident	91.7	Very high	139 Å²	139	61 Å²	61	74%	0.743	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	0.7	177.7	-57.7	-46.8	0	0	0	113	S431 Y435	S431-D433 PolarHBondContact O-N 2.86Å; S431-D433 PolarHBondContact OG-N 2.89Å; D433-Y435 HydrophobicContact CB-CD2 3.94Å; D433-Y435 WeakPolarHBondContact O-CD2 3.28Å
434	G	82.1	Confident	91.8	Very high	25 Å²	25	54.3 Å²	54.3	26%	0.258	28%	0.28	S	S	.	.	S	Bend	trans	81.4	13.9	179.5	0	0	0	0	0	115	S431 L432	S431-G434 PolarHBondContact O-N 3.32Å; L432-G434 VanDerWaalsContact C-N 3.26Å; L432-G434 PolarHBondContact O-N 3.25Å
435	Y	88.2	Confident	91.9	Very high	112 Å²	112	53.8 Å²	53.8	44%	0.439	28%	0.276	S	S	.	.	S	Bend	trans	-94.6	-179	176.2	-76.1	-92.4	0	0	0	111.8	W427 L430 S431 D433 A437 M489	W427-Y435 VanDerWaalsContact CZ3-C 3.48Å; L430-Y435 CarbonylContact C-O 3.54Å; L430-Y435 VanDerWaalsContact CA-O 3.29Å; L430-Y435 WeakPolarHBondContact CA-O 3.35Å; S431-Y435 PolarHBondContact N-O 3.18Å; S431-Y435 PolarHBondContact OG-N 2.76Å; D433-Y435 HydrophobicContact CB-CD2 3.94Å; D433-Y435 WeakPolarHBondContact O-CD2 3.28Å; Y435-A437 PolarHBondContact O-N 2.84Å; Y435-M489 HydrophobicContact CD1-CE 4.03Å; Y435-M489 HydrophobicContact CD1-SD 4.02Å; Y435-M489 HydrophobicContact CE1-CE 3.87Å; Y435-M489 HydrophobicContact CE1-SD 4.11Å; Y435-M489 HydrophobicContact CG-CE 4.46Å
436	Y	91	Very high	91.9	Very high	81 Å²	81	54.3 Å²	54.3	32%	0.318	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	128.9	179.3	175.2	-104.4	0	0	0	112.7	W427	W427-Y436 HydrophobicContact CB-CD2 4.11Å; W427-Y436 AromaticContact CD1-CD2 3.49Å; W427-Y436 VanDerWaalsContact CD1-CD2 3.49Å; W427-Y436 AromaticContact CD1-CE2 3.98Å; W427-Y436 AromaticContact CD2-CD2 3.83Å; W427-Y436 HydrophobicContact CD2-CD2 3.83Å; W427-Y436 HydrophobicContact CD2-CG 4.45Å; W427-Y436 AromaticContact CE2-CD2 3.9Å; W427-Y436 AromaticContact CG-CD2 3.57Å; W427-Y436 HydrophobicContact CG-CD2 3.57Å; W427-Y436 HydrophobicContact CG-CE2 4.25Å; W427-Y436 AromaticContact NE1-CD2 3.72Å
437	A	90.7	Very high	91.8	Very high	26 Å²	26	59 Å²	59	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.7	158.4	0	0	0	0	0	109.5	A429 Y435	A429-A437 CarbonylContact C-O 3.37Å; A429-A437 HydrophobicContact CB-CB 3.98Å; A429-A437 PolarHBondContact N-O 3.33Å; A429-A437 PolarHBondContact O-N 3.34Å; Y435-A437 PolarHBondContact O-N 2.84Å
438	R	94.1	Very high	91.7	Very high	156 Å²	156	60.9 Å²	60.9	59%	0.589	31%	0.308	S	S	*	.			trans	-82.1	123.7	174.8	-175.3	-178.7	-66	175.7	0.2	109.4	Y442	R438-Y442 HydrophobicContact CG-CD1 4.15Å; R438-Y442 HydrophobicContact CG-CG 4.24Å
439	S	93.6	Very high	91.8	Very high	13 Å²	13	66.7 Å²	66.7	9%	0.091	33%	0.33	C	S	.	.			trans	-75.4	159.7	169.2	63.4	0	0	0	0	111.5	G428 D441 Y442	G428-S439 WeakPolarHBondContact CA-OG 3.45Å; S439-D441 VanDerWaalsContact CB-OD1 3.25Å; S439-D441 WeakPolarHBondContact CB-OD1 3.35Å; S439-D441 PolarHBondContact O-N 3.09Å; S439-D441 PolarHBondContact OG-OD1 2.91Å; S439-Y442 WeakPolarHBondContact O-CB 3.44Å; S439-Y442 PolarHBondContact O-N 2.99Å; S439-Y442 PolarHBondContact OG-N 2.99Å
440	E	93.7	Very high	92	Very high	135 Å²	135	66.5 Å²	66.5	63%	0.631	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.1	179.5	-63.1	-172.2	171.3	0	0	113.3	Y262	Y262-E440 PolarHBondContact OH-OE2 3.11Å
441	D	96	Very high	92.4	Very high	4 Å²	4	67 Å²	67	2%	0.021	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.8	-176.6	60.1	-8.9	0	0	0	114.4	Y262 Y266 S439 V443 D444 I445	Y262-D441 HydrophobicContact CE2-CB 4.34Å; Y262-D441 WeakPolarHBondContact CE2-OD2 3.32Å; Y266-D441 WeakPolarHBondContact CE2-OD2 3.27Å; Y266-D441 WeakPolarHBondContact OH-CB 3.35Å; Y266-D441 VanDerWaalsContact OH-CG 3.32Å; Y266-D441 PolarHBondContact OH-OD2 3.39Å; S439-D441 VanDerWaalsContact CB-OD1 3.25Å; S439-D441 WeakPolarHBondContact CB-OD1 3.35Å; S439-D441 PolarHBondContact O-N 3.09Å; S439-D441 PolarHBondContact OG-OD1 2.91Å; D441-V443 VanDerWaalsContact C-N 3.35Å; D441-V443 PolarHBondContact O-N 2.68Å; D441-D444 PolarHBondContact O-N 2.83Å; D441-D444 VanDerWaalsContact O-N 3.1Å; D441-I445 HydrophobicContact CB-CD1 4.29Å; D441-I445 WeakPolarHBondContact O-CG1 3.36Å; D441-I445 PolarHBondContact O-N 3.21Å
442	Y	97.8	Very high	92.9	Very high	5 Å²	5	65 Å²	65	2%	0.02	31%	0.314	C	S	.	.	H	α-helix	trans	-54.4	-48.4	-173.8	179	-102.2	0	0	0	112.9	L422 S424 F426 R438 S439 D444 I445 V446	L422-Y442 HydrophobicContact CB-CE1 4.44Å; L422-Y442 PolarHBondContact O-OH 3.06Å; S424-Y442 PolarHBondContact OG-OH 3.2Å; F426-Y442 HydrophobicContact CD1-CE2 4.27Å; F426-Y442 HydrophobicContact CE1-CD2 4.1Å; F426-Y442 AromaticContact CE1-CE2 3.73Å; F426-Y442 HydrophobicContact CE1-CE2 3.73Å; F426-Y442 AromaticContact CE2-CD2 3.79Å; F426-Y442 HydrophobicContact CE2-CD2 3.79Å; F426-Y442 HydrophobicContact CE2-CE2 4.03Å; F426-Y442 AromaticContact CZ-CD2 3.48Å; F426-Y442 HydrophobicContact CZ-CD2 3.48Å; F426-Y442 VanDerWaalsContact CZ-CD2 3.48Å; F426-Y442 AromaticContact CZ-CE2 3.6Å; F426-Y442 HydrophobicContact CZ-CE2 3.6Å; F426-Y442 WeakPolarHBondContact O-CE2 3.32Å; R438-Y442 HydrophobicContact CG-CD1 4.15Å; R438-Y442 HydrophobicContact CG-CG 4.24Å; S439-Y442 WeakPolarHBondContact O-CB 3.44Å; S439-Y442 PolarHBondContact O-N 2.99Å; S439-Y442 PolarHBondContact OG-N 2.99Å; Y442-D444 VanDerWaalsContact C-N 3.32Å; Y442-D444 PolarHBondContact O-N 2.96Å; Y442-I445 PolarHBondContact O-N 2.81Å; Y442-V446 HydrophobicContact CD1-CG2 4.3Å; Y442-V446 HydrophobicContact CD2-CG2 4.32Å; Y442-V446 HydrophobicContact CE1-CG2 3.93Å; Y442-V446 HydrophobicContact CE2-CG2 3.93Å; Y442-V446 HydrophobicContact CG-CG2 4.5Å; Y442-V446 WeakPolarHBondContact O-CB 3.14Å; Y442-V446 WeakPolarHBondContact O-CG2 3.23Å; Y442-V446 PolarHBondContact O-N 2.75Å
443	V	97.7	Very high	93.8	Very high	42 Å²	42	57.1 Å²	57.1	26%	0.255	27%	0.273	S	S	.	.	H	α-helix	trans	-65.3	-39.1	-178.5	178.3	0	0	0	0	110.9	L422 D441 I445 V446 Q447	L422-V443 HydrophobicContact CD1-CG2 4.1Å; L422-V443 HydrophobicContact CD2-CG1 4.23Å; D441-V443 VanDerWaalsContact C-N 3.35Å; D441-V443 PolarHBondContact O-N 2.68Å; V443-I445 VanDerWaalsContact C-N 3.35Å; V443-V446 PolarHBondContact O-N 3.09Å; V443-Q447 HydrophobicContact CG1-CG 4.17Å; V443-Q447 VanDerWaalsContact O-CB 3.26Å; V443-Q447 WeakPolarHBondContact O-CB 3.45Å; V443-Q447 VanDerWaalsContact O-CG 3.31Å; V443-Q447 WeakPolarHBondContact O-CG 3.4Å; V443-Q447 PolarHBondContact O-N 2.97Å
444	D	97.3	Very high	94.8	Very high	37 Å²	37	50.6 Å²	50.6	20%	0.198	24%	0.239	C	C	.	.	H	α-helix	trans	-68.5	-35.4	179.8	-72.1	-17.6	0	0	0	111.8	D441 Y442 R448 K449 R450	D441-D444 PolarHBondContact O-N 2.83Å; D441-D444 VanDerWaalsContact O-N 3.1Å; Y442-D444 VanDerWaalsContact C-N 3.32Å; Y442-D444 PolarHBondContact O-N 2.96Å; D444-R448 CarbonylContact O-C 3.11Å; D444-R448 PolarHBondContact O-N 3.49Å; D444-K449 HydrophobicContact CB-CB 4.12Å; D444-K449 PolarHBondContact O-N 3.17Å; D444-K449 WeakPolarHBondContact OD1-CD 3.46Å; D444-K449 IonicContact OD1-NZ 2.77Å; D444-R450 HydrophobicContact CB-CB 4.47Å; D444-R450 HydrophobicContact CB-CG 3.87Å; D444-R450 PolarHBondContact O-N 2.92Å; D444-R450 IonicContact OD2-CZ 3.79Å; D444-R450 VanDerWaalsContact OD2-CZ 3.29Å; D444-R450 IonicContact OD2-NE 3.34Å; D444-R450 PolarHBondContact OD2-NE 2.95Å; D444-R450 IonicContact OD2-NH2 2.98Å; D444-R450 PolarHBondContact OD2-NH2 3.48Å
445	I	97.8	Very high	95.5	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-48.2	174.1	-66.2	170	0	0	0	110.4	F426 D441 Y442 V443 Q447 R448 W454 N527	F426-I445 HydrophobicContact CE1-CG2 4.14Å; F426-I445 HydrophobicContact CZ-CB 4.18Å; F426-I445 HydrophobicContact CZ-CG2 3.71Å; D441-I445 HydrophobicContact CB-CD1 4.29Å; D441-I445 WeakPolarHBondContact O-CG1 3.36Å; D441-I445 PolarHBondContact O-N 3.21Å; Y442-I445 PolarHBondContact O-N 2.81Å; V443-I445 VanDerWaalsContact C-N 3.35Å; I445-Q447 PolarHBondContact O-N 2.89Å; I445-R448 PolarHBondContact O-N 2.74Å; I445-R448 VanDerWaalsContact O-N 3.08Å; I445-W454 HydrophobicContact CD1-CD2 3.69Å; I445-W454 HydrophobicContact CD1-CE3 3.88Å; I445-W454 HydrophobicContact CD1-CG 3.98Å; I445-W454 HydrophobicContact CD1-CZ3 4.43Å; I445-W454 HydrophobicContact CG1-CD2 4.03Å; I445-W454 HydrophobicContact CG1-CE3 4.4Å; I445-W454 HydrophobicContact CG1-CG 4.5Å; I445-W454 HydrophobicContact CG1-CZ2 4.11Å; I445-N527 PolarHBondContact O-ND2 2.91Å
446	V	97.4	Very high	95.9	Very high	13 Å²	13	44.8 Å²	44.8	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-42.9	-179.1	168.1	0	0	0	0	111.8	T417 L422 F426 Y442 V443 R448	T417-V446 HydrophobicContact CG2-CG1 3.87Å; L422-V446 HydrophobicContact CD2-CB 4.43Å; L422-V446 HydrophobicContact CD2-CG1 3.83Å; F426-V446 HydrophobicContact CE1-CG2 3.81Å; F426-V446 HydrophobicContact CZ-CG2 4.26Å; Y442-V446 HydrophobicContact CD1-CG2 4.3Å; Y442-V446 HydrophobicContact CD2-CG2 4.32Å; Y442-V446 HydrophobicContact CE1-CG2 3.93Å; Y442-V446 HydrophobicContact CE2-CG2 3.93Å; Y442-V446 HydrophobicContact CG-CG2 4.5Å; Y442-V446 WeakPolarHBondContact O-CB 3.14Å; Y442-V446 WeakPolarHBondContact O-CG2 3.23Å; Y442-V446 PolarHBondContact O-N 2.75Å; V443-V446 PolarHBondContact O-N 3.09Å; V446-R448 PolarHBondContact O-N 2.98Å
447	Q	96.4	Very high	96.1	Very high	99 Å²	99	41.4 Å²	41.4	46%	0.463	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.2	177.4	-64.9	-178	-22.2	0	0	113.2	L422 V443 I445 K449	L422-Q447 HydrophobicContact CD2-CG 4.22Å; V443-Q447 HydrophobicContact CG1-CG 4.17Å; V443-Q447 VanDerWaalsContact O-CB 3.26Å; V443-Q447 WeakPolarHBondContact O-CB 3.45Å; V443-Q447 VanDerWaalsContact O-CG 3.31Å; V443-Q447 WeakPolarHBondContact O-CG 3.4Å; V443-Q447 PolarHBondContact O-N 2.97Å; I445-Q447 PolarHBondContact O-N 2.89Å; Q447-K449 HydrophobicContact CB-CG 4.3Å; Q447-K449 PolarHBondContact O-N 3.2Å; Q447-K449 VanDerWaalsContact O-N 3.15Å
448	R	95.6	Very high	96.4	Very high	81 Å²	81	40.8 Å²	40.8	31%	0.306	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	28.9	-179.2	-49.7	-177.5	73.9	-153.8	-3.3	113.6	D444 I445 V446 R450 V451 N527 R528 E530	D444-R448 CarbonylContact O-C 3.11Å; D444-R448 PolarHBondContact O-N 3.49Å; I445-R448 PolarHBondContact O-N 2.74Å; I445-R448 VanDerWaalsContact O-N 3.08Å; V446-R448 PolarHBondContact O-N 2.98Å; R448-R450 VanDerWaalsContact C-N 3.34Å; R448-V451 HydrophobicContact CB-CG2 4.07Å; R448-V451 WeakPolarHBondContact O-CG2 3.48Å; R448-N527 PolarHBondContact NE-O 3.14Å; R448-N527 PolarHBondContact NH2-O 3.44Å; R448-N527 VanDerWaalsContact NH2-O 3.12Å; R448-R528 PolarHBondContact NH2-O 3.17Å; R448-E530 IonicContact CZ-OE1 2.98Å; R448-E530 VanDerWaalsContact NH1-CD 3.32Å; R448-E530 VanDerWaalsContact NH1-CG 3.3Å; R448-E530 IonicContact NH1-OE1 3.88Å; R448-E530 PolarHBondContact NH1-OE1 3.24Å
449	K	96.2	Very high	96.5	Very high	133 Å²	133	33.4 Å²	33.4	58%	0.578	16%	0.162	S	C	*	.	S	Bend	trans	-72.4	-33	168.1	-66.3	176.2	179.8	166.4	0	111.2	D444 Q447	D444-K449 HydrophobicContact CB-CB 4.12Å; D444-K449 PolarHBondContact O-N 3.17Å; D444-K449 WeakPolarHBondContact OD1-CD 3.46Å; D444-K449 IonicContact OD1-NZ 2.77Å; Q447-K449 HydrophobicContact CB-CG 4.3Å; Q447-K449 PolarHBondContact O-N 3.2Å; Q447-K449 VanDerWaalsContact O-N 3.15Å
450	R	96.3	Very high	96.7	Very high	24 Å²	24	33 Å²	33	9%	0.091	16%	0.159	C	C	.	.	S	Bend	trans	-115.2	116.5	168.2	-58.3	-176.8	-160.2	-176.1	4.4	108.2	Y266 W271 D444 R448 W454 N527	Y266-R450 PolarHBondContact OH-NH1 3.48Å; W271-R450 HydrophobicContact CH2-CB 4.19Å; W271-R450 HydrophobicContact CH2-CG 3.47Å; W271-R450 VanDerWaalsContact CH2-CG 3.47Å; W271-R450 HydrophobicContact CZ2-CB 3.62Å; W271-R450 HydrophobicContact CZ2-CG 3.41Å; W271-R450 VanDerWaalsContact CZ2-CG 3.41Å; W271-R450 HydrophobicContact CZ3-CG 4.16Å; D444-R450 HydrophobicContact CB-CB 4.47Å; D444-R450 HydrophobicContact CB-CG 3.87Å; D444-R450 PolarHBondContact O-N 2.92Å; D444-R450 IonicContact OD2-CZ 3.79Å; D444-R450 VanDerWaalsContact OD2-CZ 3.29Å; D444-R450 IonicContact OD2-NE 3.34Å; D444-R450 PolarHBondContact OD2-NE 2.95Å; D444-R450 IonicContact OD2-NH2 2.98Å; D444-R450 PolarHBondContact OD2-NH2 3.48Å; R448-R450 VanDerWaalsContact C-N 3.34Å; R450-W454 HydrophobicContact CB-CH2 3.69Å; R450-W454 HydrophobicContact CB-CZ2 3.69Å; R450-N527 PolarHBondContact O-ND2 3.23Å
451	V	97.2	Very high	96.9	Very high	53 Å²	53	28.6 Å²	28.6	32%	0.321	14%	0.138	S	C	.	.			trans	-110.2	131.5	-177.5	178.6	0	0	0	0	109.7	W271 R448 N527 R528	W271-V451 PolarHBondContact NE1-O 3.49Å; R448-V451 HydrophobicContact CB-CG2 4.07Å; R448-V451 WeakPolarHBondContact O-CG2 3.48Å; V451-N527 WeakPolarHBondContact CA-OD1 3.36Å; V451-R528 VanDerWaalsContact CG1-CA 3.47Å; V451-R528 HydrophobicContact CG1-CB 4.38Å; V451-R528 HydrophobicContact CG1-CG 4.28Å
452	G	97.3	Very high	97	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	174.8	-159.5	-176.6	0	0	0	0	0	114.6	C280 T526 N527	C280-G452 VanDerWaalsContact SG-CA 3.5Å; G452-T526 WeakPolarHBondContact O-CA 3.3Å; G452-T526 PolarHBondContact O-OG1 2.82Å; G452-N527 PolarHBondContact N-OD1 3.04Å; G452-N527 PolarHBondContact O-N 2.93Å; G452-N527 PolarHBondContact O-OD1 3Å; G452-N527 VanDerWaalsContact O-OD1 3.11Å
453	V	97.4	Very high	97	Very high	17 Å²	17	28.2 Å²	28.2	10%	0.103	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.6	174.8	177.9	0	0	0	0	106.6	C280 I412 Y524 I525	C280-V453 HydrophobicContact CB-CG2 4.41Å; C280-V453 PolarHBondContact SG-N 3.05Å; I412-V453 HydrophobicContact CD1-CG1 4.42Å; V453-Y524 HydrophobicContact CG1-CD1 3.71Å; V453-Y524 HydrophobicContact CG1-CG 4.07Å; V453-I525 WeakPolarHBondContact CA-O 3.36Å
454	W	97.8	Very high	97.1	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.011	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.1	-164.3	-50.1	92.1	0	0	0	110.4	N265 Y266 W271 I445 R450 I456 Y524 I525 N527	N265-W454 HydrophobicContact CB-CE3 4.01Å; N265-W454 HydrophobicContact CB-CZ3 4.36Å; Y266-W454 HydrophobicContact CE1-CH2 4.39Å; Y266-W454 AromaticContact CE1-CZ3 3.95Å; Y266-W454 HydrophobicContact CE1-CZ3 3.95Å; Y266-W454 HydrophobicContact CE2-CZ3 4.36Å; Y266-W454 AromaticContact CZ-CZ3 3.7Å; W271-W454 HydrophobicContact CB-CH2 4.26Å; W271-W454 HydrophobicContact CB-CZ3 4.38Å; W271-W454 AromaticContact CD1-CH2 3.55Å; W271-W454 AromaticContact CD2-CH2 3.98Å; W271-W454 HydrophobicContact CD2-CH2 3.98Å; W271-W454 AromaticContact CG-CH2 3.66Å; W271-W454 HydrophobicContact CG-CH2 3.66Å; W271-W454 HydrophobicContact CG-CZ3 4.24Å; W271-W454 AromaticContact NE1-CH2 3.81Å; I445-W454 HydrophobicContact CD1-CD2 3.69Å; I445-W454 HydrophobicContact CD1-CE3 3.88Å; I445-W454 HydrophobicContact CD1-CG 3.98Å; I445-W454 HydrophobicContact CD1-CZ3 4.43Å; I445-W454 HydrophobicContact CG1-CD2 4.03Å; I445-W454 HydrophobicContact CG1-CE3 4.4Å; I445-W454 HydrophobicContact CG1-CG 4.5Å; I445-W454 HydrophobicContact CG1-CZ2 4.11Å; R450-W454 HydrophobicContact CB-CH2 3.69Å; R450-W454 HydrophobicContact CB-CZ2 3.69Å; W454-I456 HydrophobicContact CB-CG2 4.2Å; W454-I456 PolarHBondContact O-N 3.27Å; W454-Y524 CarbonylContact O-C 3.56Å; W454-Y524 VanDerWaalsContact O-CA 3.23Å; W454-Y524 WeakPolarHBondContact O-CA 3.37Å; W454-I525 HydrophobicContact CB-CG2 3.87Å; W454-I525 HydrophobicContact CG-CG2 4.37Å; W454-I525 PolarHBondContact N-O 3.48Å; W454-I525 PolarHBondContact O-N 3.43Å; W454-N527 PolarHBondContact NE1-OD1 3.18Å
455	N	97	Very high	97.1	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.048	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.3	169.6	-176.1	-4.1	0	0	0	109.2	N265 F522 M523 Y524	N265-N455 PolarHBondContact ND2-O 3.37Å; N265-N455 VanDerWaalsContact OD1-CB 3.27Å; N265-N455 WeakPolarHBondContact OD1-CB 3.43Å; N265-N455 PolarHBondContact OD1-N 2.83Å; N455-F522 WeakPolarHBondContact ND2-CD2 3.44Å; N455-F522 VanDerWaalsContact ND2-CE2 3.32Å; N455-F522 WeakPolarHBondContact ND2-CE2 3.38Å; N455-F522 WeakPolarHBondContact ND2-CG 3.45Å; N455-M523 WeakPolarHBondContact CA-O 3.35Å; N455-M523 PolarHBondContact OD1-O 2.96Å; N455-Y524 HydrophobicContact CB-CD1 4.17Å; N455-Y524 HydrophobicContact CB-CE1 3.87Å
456	I	96.8	Very high	97.1	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.7	-169.3	49.4	159	0	0	0	111.7	F426 W454 F458 M459 M523 I525	F426-I456 HydrophobicContact CB-CD1 3.67Å; F426-I456 HydrophobicContact CD2-CB 4.35Å; F426-I456 HydrophobicContact CD2-CD1 4.29Å; F426-I456 HydrophobicContact CD2-CG2 3.71Å; F426-I456 HydrophobicContact CE2-CG2 4.09Å; F426-I456 HydrophobicContact CG-CD1 4.34Å; W454-I456 HydrophobicContact CB-CG2 4.2Å; W454-I456 PolarHBondContact O-N 3.27Å; I456-F458 WeakPolarHBondContact CD1-O 3.31Å; I456-M459 HydrophobicContact CD1-CB 3.93Å; I456-M523 VanDerWaalsContact CG1-O 3.27Å; I456-M523 WeakPolarHBondContact CG1-O 3.42Å; I456-M523 PolarHBondContact N-O 2.93Å; I456-I525 HydrophobicContact CD1-CB 3.6Å; I456-I525 HydrophobicContact CD1-CG2 3.9Å; I456-I525 HydrophobicContact CG1-CB 4.29Å; I456-I525 HydrophobicContact CG1-CG2 4.26Å; I456-I525 HydrophobicContact CG2-CG2 3.69Å
457	P	95	Very high	97.1	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.058	12%	0.119	C	C	.	.	S	Bend	trans	-75.4	-28	176.5	28.8	-35.9	0	0	0	113.5	M258 W427 L430 R496 M523	M258-P457 HydrophobicContact SD-CB 3.95Å; W427-P457 WeakPolarHBondContact O-CD 3.5Å; W427-P457 WeakPolarHBondContact O-CG 3.36Å; L430-P457 HydrophobicContact CD1-CB 3.84Å; L430-P457 HydrophobicContact CD2-CB 4.11Å; L430-P457 HydrophobicContact CD2-CG 4.4Å; L430-P457 HydrophobicContact CG-CB 3.68Å; L430-P457 HydrophobicContact CG-CG 4.11Å; P457-R496 WeakPolarHBondContact O-CD 3.49Å; P457-R496 VanDerWaalsContact O-CZ 3.31Å; P457-R496 PolarHBondContact O-NH1 3.07Å; P457-M523 WeakPolarHBondContact O-CE 3.49Å
458	F	96.5	Very high	97.1	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.057	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	137.4	-173.9	171.5	-84.9	0	0	0	111.4	F426 W427 I456 A460 D488 M489 C492	F426-F458 CarbonylContact C-O 3.46Å; F426-F458 WeakPolarHBondContact CA-O 3.29Å; F426-F458 WeakPolarHBondContact CB-O 3.28Å; W427-F458 HydrophobicContact CB-CB 3.92Å; W427-F458 HydrophobicContact CB-CD1 4.2Å; W427-F458 HydrophobicContact CB-CG 4.43Å; W427-F458 AromaticContact CD1-CD1 3.54Å; W427-F458 AromaticContact CD1-CE1 3.95Å; W427-F458 HydrophobicContact CD2-CB 3.83Å; W427-F458 AromaticContact CD2-CD1 3.44Å; W427-F458 HydrophobicContact CD2-CD1 3.44Å; W427-F458 VanDerWaalsContact CD2-CD1 3.44Å; W427-F458 HydrophobicContact CD2-CD2 4.26Å; W427-F458 HydrophobicContact CD2-CE1 4.04Å; W427-F458 AromaticContact CD2-CG 3.58Å; W427-F458 HydrophobicContact CD2-CG 3.58Å; W427-F458 AromaticContact CE2-CD1 3.58Å; W427-F458 AromaticContact CE2-CE1 3.65Å; W427-F458 HydrophobicContact CE3-CB 3.74Å; W427-F458 HydrophobicContact CE3-CD1 4.07Å; W427-F458 HydrophobicContact CE3-CD2 4.09Å; W427-F458 AromaticContact CE3-CG 3.7Å; W427-F458 HydrophobicContact CE3-CG 3.7Å; W427-F458 HydrophobicContact CG-CB 3.91Å; W427-F458 AromaticContact CG-CD1 3.45Å; W427-F458 HydrophobicContact CG-CD1 3.45Å; W427-F458 VanDerWaalsContact CG-CD1 3.45Å; W427-F458 HydrophobicContact CG-CE1 4.24Å; W427-F458 AromaticContact CG-CG 3.89Å; W427-F458 HydrophobicContact CG-CG 3.89Å; W427-F458 HydrophobicContact CH2-CD2 4.45Å; W427-F458 HydrophobicContact CH2-CE2 4.41Å; W427-F458 HydrophobicContact CZ2-CD1 4.33Å; W427-F458 HydrophobicContact CZ2-CE1 4.12Å; W427-F458 HydrophobicContact CZ2-CE2 4.37Å; W427-F458 HydrophobicContact CZ2-CZ 4.13Å; W427-F458 HydrophobicContact CZ3-CD2 4.18Å; W427-F458 HydrophobicContact CZ3-CG 4.26Å; W427-F458 PolarHBondContact N-O 2.98Å; W427-F458 AromaticContact NE1-CD1 3.57Å; W427-F458 AromaticContact NE1-CE1 3.55Å; I456-F458 WeakPolarHBondContact CD1-O 3.31Å; F458-A460 HydrophobicContact CE1-CB 3.75Å; F458-A460 HydrophobicContact CZ-CB 3.74Å; F458-D488 HydrophobicContact CE2-CB 3.96Å; F458-D488 HydrophobicContact CZ-CB 3.97Å; F458-M489 HydrophobicContact CD2-CG 4.07Å; F458-M489 HydrophobicContact CE2-CB 4.34Å; F458-M489 HydrophobicContact CE2-CG 3.63Å; F458-C492 HydrophobicContact CD2-CB 4.1Å
459	M	96.3	Very high	97	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.2	172.7	72.7	-162.9	-32.3	0	0	110.2	V411 N425 I456 Y463 C492 M523 Y524	V411-M459 HydrophobicContact CG1-CE 4.37Å; V411-M459 HydrophobicContact CG1-SD 3.49Å; V411-M459 WeakPolarHBondContact CG1-SD 3.29Å; N425-M459 WeakPolarHBondContact O-CA 3.33Å; I456-M459 HydrophobicContact CD1-CB 3.93Å; M459-Y463 HydrophobicContact CG-CD1 4.29Å; M459-C492 PolarHBondContact N-SG 2.87Å; M459-C492 VanDerWaalsContact N-SG 3.44Å; M459-C492 PolarHBondContact O-SG 3.45Å; M459-M523 HydrophobicContact CG-SD 4.45Å; M459-M523 HydrophobicContact SD-CB 3.82Å; M459-M523 HydrophobicContact SD-CG 4.07Å; M459-M523 HydrophobicContact SD-SD 4.19Å; M459-Y524 WeakPolarHBondContact CE-O 3.25Å
460	A	96.6	Very high	97	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.033	8%	0.077	C	C	.	.			trans	-147	178.9	179	0	0	0	0	0	110.4	N425 F458 I462 D488	N425-A460 WeakPolarHBondContact CB-O 3.37Å; N425-A460 PolarHBondContact O-N 3.33Å; F458-A460 HydrophobicContact CE1-CB 3.75Å; F458-A460 HydrophobicContact CZ-CB 3.74Å; A460-I462 PolarHBondContact O-N 2.86Å; A460-D488 HydrophobicContact CB-CB 4.01Å; A460-D488 WeakPolarHBondContact CB-OD2 3.3Å
461	H	97.6	Very high	96.8	Very high	44 Å²	44	16.1 Å²	16.1	20%	0.204	8%	0.084	C	C	.	.	S	Bend	trans	64	-47	173.5	-54.6	-89.3	0	0	0	117.1	D390 D392 V393 N425 L534	D390-H461 HydrophobicContact CB-CB 4.42Å; D390-H461 WeakPolarHBondContact CB-O 3.42Å; D390-H461 PolarHBondContact N-O 3.26Å; D392-H461 VanDerWaalsContact CG-ND1 3.33Å; D392-H461 IonicContact OD1-CE1 2.62Å; D392-H461 IonicContact OD1-CG 3.55Å; D392-H461 IonicContact OD1-ND1 2.73Å; D392-H461 PolarHBondContact OD1-ND1 2.76Å; D392-H461 IonicContact OD2-CE1 3.7Å; D392-H461 PolarHBondContact OD2-CE1 3.44Å; D392-H461 IonicContact OD2-ND1 2.82Å; D392-H461 PolarHBondContact OD2-ND1 3.19Å; V393-H461 HydrophobicContact CG2-CB 3.65Å; N425-H461 HydrophobicContact CB-CB 4.24Å; H461-L534 HydrophobicContact CB-CD2 4.02Å
462	I	98.6	Very high	96.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	123.4	-175.5	-178.9	174.5	0	0	0	111.1	F387 S388 L389 V393 L395 T400 P414 V416 N425 A460	F387-I462 HydrophobicContact CE2-CD1 3.92Å; F387-I462 HydrophobicContact CE2-CG1 3.69Å; F387-I462 HydrophobicContact CZ-CD1 3.71Å; F387-I462 HydrophobicContact CZ-CG1 3.94Å; S388-I462 WeakPolarHBondContact O-CA 3.32Å; L389-I462 HydrophobicContact CD1-CB 4.08Å; L389-I462 HydrophobicContact CD1-CD1 3.6Å; L389-I462 HydrophobicContact CD1-CG1 3.86Å; V393-I462 HydrophobicContact CG1-CB 4.27Å; V393-I462 HydrophobicContact CG1-CD1 4Å; V393-I462 HydrophobicContact CG1-CG2 4.15Å; V393-I462 HydrophobicContact CG2-CB 4.17Å; V393-I462 HydrophobicContact CG2-CG2 4.23Å; L395-I462 HydrophobicContact CD1-CD1 4.14Å; L395-I462 HydrophobicContact CD2-CD1 3.66Å; L395-I462 HydrophobicContact CG-CD1 4.29Å; T400-I462 HydrophobicContact CG2-CD1 4.5Å; P414-I462 HydrophobicContact CG-CB 4.46Å; P414-I462 HydrophobicContact CG-CD1 3.38Å; P414-I462 HydrophobicContact CG-CG1 3.76Å; P414-I462 HydrophobicContact CG-CG2 3.92Å; V416-I462 HydrophobicContact CG2-CG2 3.79Å; N425-I462 WeakPolarHBondContact ND2-CG2 3.2Å; A460-I462 PolarHBondContact O-N 2.86Å
463	Y	98.6	Very high	96	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	153.1	177.7	47	-96.6	0	0	0	112.1	S388 I412 M459 I465 F480 L491	S388-Y463 VanDerWaalsContact CB-CZ 3.47Å; S388-Y463 PolarHBondContact N-O 3.1Å; S388-Y463 PolarHBondContact O-N 3.39Å; S388-Y463 VanDerWaalsContact O-N 3.13Å; S388-Y463 PolarHBondContact OG-OH 3.38Å; I412-Y463 CarbonylContact O-C 3.58Å; M459-Y463 HydrophobicContact CG-CD1 4.29Å; Y463-I465 HydrophobicContact CD2-CD1 4.07Å; Y463-I465 HydrophobicContact CD2-CG1 4.08Å; Y463-I465 HydrophobicContact CE2-CD1 4.12Å; Y463-F480 WeakPolarHBondContact OH-CE1 3.49Å; Y463-F480 WeakPolarHBondContact OH-CZ 3.41Å; Y463-L491 HydrophobicContact CE1-CD2 4.25Å; Y463-L491 HydrophobicContact CE2-CD2 3.94Å
464	L	98.8	Very high	95.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.6	176	-172.6	76.4	0	0	0	109	Y385 Y386 F387 L401 L404 I405 V411 I412	Y385-L464 HydrophobicContact CD1-CD1 4.28Å; Y385-L464 HydrophobicContact CD1-CD2 3.8Å; Y385-L464 HydrophobicContact CD1-CG 3.96Å; Y385-L464 HydrophobicContact CE1-CD2 4.28Å; Y385-L464 HydrophobicContact CG-CD1 4.34Å; Y385-L464 HydrophobicContact CG-CD2 4.45Å; Y386-L464 CarbonylContact O-C 3.49Å; Y386-L464 WeakPolarHBondContact O-CA 3.36Å; F387-L464 HydrophobicContact CB-CD1 3.74Å; F387-L464 HydrophobicContact CD2-CB 4.28Å; F387-L464 HydrophobicContact CD2-CD1 4.01Å; F387-L464 HydrophobicContact CG-CD1 4.22Å; L401-L464 HydrophobicContact CD1-CD1 3.78Å; L404-L464 HydrophobicContact CB-CB 4.36Å; L404-L464 HydrophobicContact CB-CD2 3.75Å; L404-L464 HydrophobicContact CD1-CB 4.41Å; I405-L464 HydrophobicContact CB-CD2 4.42Å; I405-L464 HydrophobicContact CG1-CD2 3.6Å; V411-L464 WeakPolarHBondContact CA-O 3.29Å; I412-L464 HydrophobicContact CG2-CB 4.14Å; I412-L464 HydrophobicContact CG2-CD2 4.36Å; I412-L464 PolarHBondContact N-O 3.04Å; I412-L464 PolarHBondContact O-N 3.33Å
465	I	98.4	Very high	95	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.1	175.7	-52.8	178.9	0	0	0	108.8	Y385 Y386 K410 V411 Y463 G467 V469 L470	Y385-I465 WeakPolarHBondContact CA-O 3.25Å; Y386-I465 HydrophobicContact CD1-CD1 4.4Å; Y386-I465 PolarHBondContact N-O 3.4Å; Y386-I465 PolarHBondContact O-N 3.17Å; K410-I465 WeakPolarHBondContact O-CA 3.34Å; V411-I465 HydrophobicContact CG1-CG1 4.2Å; V411-I465 HydrophobicContact CG2-CG1 4.21Å; V411-I465 HydrophobicContact CG2-CG2 4.16Å; Y463-I465 HydrophobicContact CD2-CD1 4.07Å; Y463-I465 HydrophobicContact CD2-CG1 4.08Å; Y463-I465 HydrophobicContact CE2-CD1 4.12Å; I465-G467 PolarHBondContact O-N 3.06Å; I465-V469 HydrophobicContact CG2-CB 4.37Å; I465-V469 HydrophobicContact CG2-CG1 4.42Å; I465-L470 HydrophobicContact CB-CD2 4.48Å; I465-L470 HydrophobicContact CD1-CD2 4.36Å; I465-L470 HydrophobicContact CG2-CD2 3.71Å; I465-L470 HydrophobicContact CG2-CG 3.84Å
466	K	97.9	Very high	94.3	Very high	34 Å²	34	29 Å²	29	15%	0.148	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	130.9	170.7	-80.8	-179.9	175	179.9	0	110.6	Y385 N408 R409 K410 T468 V469 L470	Y385-K466 HydrophobicContact CD1-CG 3.96Å; Y385-K466 HydrophobicContact CE1-CB 4.46Å; Y385-K466 HydrophobicContact CE1-CD 4.44Å; Y385-K466 HydrophobicContact CE1-CG 3.45Å; Y385-K466 VanDerWaalsContact CE1-CG 3.45Å; N408-K466 WeakPolarHBondContact O-CE 3.43Å; N408-K466 PolarHBondContact O-NZ 2.88Å; N408-K466 WeakPolarHBondContact OD1-CE 3.1Å; N408-K466 PolarHBondContact OD1-NZ 3.49Å; R409-K466 WeakPolarHBondContact O-CD 3.43Å; R409-K466 VanDerWaalsContact O-CE 3.31Å; R409-K466 WeakPolarHBondContact O-CE 3.39Å; K410-K466 PolarHBondContact O-N 3.28Å; K466-T468 PolarHBondContact O-N 3.46Å; K466-V469 HydrophobicContact CB-CB 4.23Å; K466-V469 HydrophobicContact CB-CG2 3.7Å; K466-V469 WeakPolarHBondContact O-CB 3.36Å; K466-V469 PolarHBondContact O-N 3.48Å; K466-L470 PolarHBondContact O-N 2.82Å
467	G	97.1	Very high	93.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.5	-33.3	178.1	0	0	0	0	0	112.7	G384 I465 V469 L470 R471	G384-G467 PolarHBondContact O-N 3.13Å; I465-G467 PolarHBondContact O-N 3.06Å; G467-V469 VanDerWaalsContact C-N 3.32Å; G467-V469 PolarHBondContact O-N 3.35Å; G467-L470 WeakPolarHBondContact O-CB 3.42Å; G467-L470 PolarHBondContact O-N 2.76Å; G467-R471 VanDerWaalsContact C-NH2 3.34Å; G467-R471 WeakPolarHBondContact O-CG 3.38Å; G467-R471 VanDerWaalsContact O-CZ 3.24Å; G467-R471 PolarHBondContact O-N 3.26Å; G467-R471 VanDerWaalsContact O-N 3.15Å; G467-R471 PolarHBondContact O-NE 2.82Å; G467-R471 PolarHBondContact O-NH1 2.85Å
468	T	95.9	Very high	92.6	Very high	73 Å²	73	40.7 Å²	40.7	45%	0.448	19%	0.188	S	C	.	.	H	α-helix	trans	-64.3	-35.2	174.6	51.3	0	0	0	0	112.6	K466 R471 N472	K466-T468 PolarHBondContact O-N 3.46Å; T468-R471 PolarHBondContact O-N 2.93Å; T468-N472 VanDerWaalsContact O-CB 3.25Å; T468-N472 WeakPolarHBondContact O-CB 3.17Å; T468-N472 PolarHBondContact O-N 3.48Å; T468-N472 PolarHBondContact O-ND2 2.91Å
469	V	94.8	Very high	92	Very high	3 Å²	3	40 Å²	40	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-41.6	175.8	176.1	0	0	0	0	110	K410 I465 K466 G467 R471 N472 E473 L474 V521	K410-V469 HydrophobicContact CB-CG1 4.47Å; K410-V469 HydrophobicContact CB-CG2 3.69Å; K410-V469 HydrophobicContact CD-CG2 4Å; K410-V469 HydrophobicContact CG-CG2 3.6Å; I465-V469 HydrophobicContact CG2-CB 4.37Å; I465-V469 HydrophobicContact CG2-CG1 4.42Å; K466-V469 HydrophobicContact CB-CB 4.23Å; K466-V469 HydrophobicContact CB-CG2 3.7Å; K466-V469 WeakPolarHBondContact O-CB 3.36Å; K466-V469 PolarHBondContact O-N 3.48Å; G467-V469 VanDerWaalsContact C-N 3.32Å; G467-V469 PolarHBondContact O-N 3.35Å; V469-R471 VanDerWaalsContact C-N 3.27Å; V469-R471 PolarHBondContact O-N 3.44Å; V469-N472 PolarHBondContact O-N 3.09Å; V469-E473 HydrophobicContact CG1-CB 4.17Å; V469-E473 WeakPolarHBondContact O-CA 3.38Å; V469-E473 PolarHBondContact O-N 3.02Å; V469-L474 HydrophobicContact CG1-CD1 4.14Å; V469-L474 HydrophobicContact CG1-CG 4.16Å; V469-L474 PolarHBondContact O-N 3.31Å; V469-V521 HydrophobicContact CG1-CG1 4.34Å
470	L	94.3	Very high	91.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-38.9	174.1	-63.5	179.8	0	0	0	112.5	M374 C377 R378 Y386 I465 K466 G467 L474	M374-L470 HydrophobicContact CG-CD1 3.91Å; M374-L470 HydrophobicContact CG-CD2 3.56Å; M374-L470 HydrophobicContact CG-CG 4.37Å; M374-L470 HydrophobicContact SD-CD2 3.59Å; M374-L470 VanDerWaalsContact SD-CD2 3.59Å; C377-L470 HydrophobicContact CB-CD1 4.06Å; R378-L470 HydrophobicContact CB-CB 4.18Å; R378-L470 WeakPolarHBondContact CD-O 3.49Å; R378-L470 HydrophobicContact CG-CB 4.19Å; R378-L470 PolarHBondContact NE-O 3.04Å; Y386-L470 HydrophobicContact CG-CD1 4.41Å; I465-L470 HydrophobicContact CB-CD2 4.48Å; I465-L470 HydrophobicContact CD1-CD2 4.36Å; I465-L470 HydrophobicContact CG2-CD2 3.71Å; I465-L470 HydrophobicContact CG2-CG 3.84Å; K466-L470 PolarHBondContact O-N 2.82Å; G467-L470 WeakPolarHBondContact O-CB 3.42Å; G467-L470 PolarHBondContact O-N 2.76Å; L470-L474 HydrophobicContact CD2-CB 4.4Å; L470-L474 HydrophobicContact CD2-CD1 4.23Å; L470-L474 CarbonylContact O-C 3.37Å; L470-L474 VanDerWaalsContact O-C 3.23Å
471	R	93.4	Very high	91.2	Very high	64 Å²	64	42.9 Å²	42.9	24%	0.242	20%	0.202	C	C	.	.	H	α-helix	trans	-82.4	-29	-177.6	-69.3	-177.5	-69.9	-90.6	4.6	114	C377 R378 D380 C383 G467 T468 V469 K475	C377-R471 PolarHBondContact O-NH1 2.82Å; R378-R471 HydrophobicContact CG-CG 4.07Å; R378-R471 WeakPolarHBondContact O-CD 3.25Å; R378-R471 WeakPolarHBondContact O-CG 3.33Å; D380-R471 PolarHBondContact O-NH1 3.32Å; D380-R471 VanDerWaalsContact O-NH1 3.12Å; C383-R471 PolarHBondContact O-NH1 2.95Å; C383-R471 PolarHBondContact O-NH2 2.66Å; C383-R471 VanDerWaalsContact O-NH2 3.1Å; G467-R471 VanDerWaalsContact C-NH2 3.34Å; G467-R471 WeakPolarHBondContact O-CG 3.38Å; G467-R471 VanDerWaalsContact O-CZ 3.24Å; G467-R471 PolarHBondContact O-N 3.26Å; G467-R471 VanDerWaalsContact O-N 3.15Å; G467-R471 PolarHBondContact O-NE 2.82Å; G467-R471 PolarHBondContact O-NH1 2.85Å; T468-R471 PolarHBondContact O-N 2.93Å; V469-R471 VanDerWaalsContact C-N 3.27Å; V469-R471 PolarHBondContact O-N 3.44Å; R471-K475 VanDerWaalsContact O-CE 3.28Å; R471-K475 WeakPolarHBondContact O-CE 3.36Å; R471-K475 WeakPolarHBondContact O-CG 3.34Å
472	N	89.8	Confident	90.4	Very high	110 Å²	110	43.7 Å²	43.7	59%	0.588	21%	0.208	S	C	*	.	H	α-helix	trans	-108.6	-35.9	-171.1	-65.6	-20.2	0	0	0	114.1	T468 V469 K475	T468-N472 VanDerWaalsContact O-CB 3.25Å; T468-N472 WeakPolarHBondContact O-CB 3.17Å; T468-N472 PolarHBondContact O-N 3.48Å; T468-N472 PolarHBondContact O-ND2 2.91Å; V469-N472 PolarHBondContact O-N 3.09Å; N472-K475 WeakPolarHBondContact O-CE 3.21Å
473	E	88.3	Confident	89.3	Confident	59 Å²	59	51.4 Å²	51.4	28%	0.276	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-39.5	-172.4	-63.3	176.6	-105.8	0	0	111.1	K410 V469 V521	K410-E473 WeakPolarHBondContact CD-OE1 3.49Å; K410-E473 WeakPolarHBondContact CE-OE1 3.44Å; K410-E473 IonicContact NZ-OE1 2.56Å; K410-E473 PolarHBondContact NZ-OE1 3.36Å; K410-E473 IonicContact NZ-OE2 3.76Å; K410-E473 PolarHBondContact NZ-OE2 3.32Å; V469-E473 HydrophobicContact CG1-CB 4.17Å; V469-E473 WeakPolarHBondContact O-CA 3.38Å; V469-E473 PolarHBondContact O-N 3.02Å; E473-V521 HydrophobicContact CB-CG2 4.14Å
474	L	89.1	Confident	88.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.28	C	S	.	.			trans	-105.4	50.6	-178.8	-56.2	-179.9	0	0	0	112.5	R378 V469 L470 E476 H479 K519 V521	R378-L474 VanDerWaalsContact CZ-O 3.3Å; R378-L474 PolarHBondContact NE-O 3.29Å; R378-L474 PolarHBondContact NH2-O 3.09Å; R378-L474 VanDerWaalsContact NH2-O 3.08Å; V469-L474 HydrophobicContact CG1-CD1 4.14Å; V469-L474 HydrophobicContact CG1-CG 4.16Å; V469-L474 PolarHBondContact O-N 3.31Å; L470-L474 HydrophobicContact CD2-CB 4.4Å; L470-L474 HydrophobicContact CD2-CD1 4.23Å; L470-L474 CarbonylContact O-C 3.37Å; L470-L474 VanDerWaalsContact O-C 3.23Å; L474-E476 VanDerWaalsContact C-N 3.33Å; L474-E476 PolarHBondContact O-N 3.14Å; L474-H479 PolarHBondContact O-NE2 3.25Å; L474-K519 HydrophobicContact CD2-CD 3.71Å; L474-K519 HydrophobicContact CD2-CG 4.33Å; L474-V521 HydrophobicContact CD2-CG2 4.38Å
475	K	84.7	Confident	87.7	Confident	142 Å²	142	61.3 Å²	61.3	62%	0.617	29%	0.288	S	S	*	.			trans	-66.4	-25.9	-172.3	-65.6	-174.4	179.9	-177.9	0	115.8	R471 N472	R471-K475 VanDerWaalsContact O-CE 3.28Å; R471-K475 WeakPolarHBondContact O-CE 3.36Å; R471-K475 WeakPolarHBondContact O-CG 3.34Å; N472-K475 WeakPolarHBondContact O-CE 3.21Å
476	E	82.1	Confident	87.3	Confident	43 Å²	43	64.5 Å²	64.5	20%	0.201	31%	0.306	C	S	.	.			trans	-62.9	148.5	-177.5	-66.2	162.7	173.5	0	0	110.5	R378 L474 H479 R516 K519	R378-E476 VanDerWaalsContact CZ-O 3.27Å; R378-E476 PolarHBondContact NH1-O 2.78Å; R378-E476 PolarHBondContact NH2-O 3.17Å; L474-E476 VanDerWaalsContact C-N 3.33Å; L474-E476 PolarHBondContact O-N 3.14Å; E476-H479 PolarHBondContact O-CD2 3.41Å; E476-H479 PolarHBondContact O-NE2 3.05Å; E476-R516 WeakPolarHBondContact OE1-CD 3.37Å; E476-R516 IonicContact OE1-CZ 2.73Å; E476-R516 IonicContact OE1-NE 3.42Å; E476-R516 PolarHBondContact OE1-NE 2.86Å; E476-R516 IonicContact OE1-NH1 3.19Å; E476-R516 PolarHBondContact OE1-NH1 3.05Å; E476-R516 IonicContact OE2-NH1 3.29Å; E476-R516 PolarHBondContact OE2-NH1 3.28Å; E476-K519 IonicContact OE2-NZ 2.95Å; E476-K519 PolarHBondContact OE2-NZ 2.93Å
477	R	73.1	Confident	87.1	Confident	184 Å²	184	64 Å²	64	69%	0.694	31%	0.305	S	S	*	.	S	Bend	trans	-77.7	-30.9	176.8	-69.1	-172.1	177.9	177.9	-2.6	112.7	N371	N371-R477 VanDerWaalsContact CG-O 3.23Å; N371-R477 PolarHBondContact OD1-O 2.56Å
478	N	82.4	Confident	86.9	Confident	75 Å²	75	64.9 Å²	64.9	40%	0.401	31%	0.31	S	S	.	.			trans	-108	93.7	-173.1	-171.7	7.9	0	0	0	111.3	N371 V481	N371-N478 PolarHBondContact ND2-OD1 3.04Å; N478-V481 PolarHBondContact ND2-O 2.87Å; N478-V481 VanDerWaalsContact ND2-O 3.13Å; N478-V481 WeakPolarHBondContact OD1-CA 3.33Å; N478-V481 WeakPolarHBondContact OD1-CB 3.43Å; N478-V481 PolarHBondContact OD1-N 2.94Å; N478-V481 PolarHBondContact OD1-O 3.02Å
479	H	85	Confident	86.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-105.6	-20.6	171.7	-59.5	-92.5	0	0	0	113	N371 M374 R378 L474 E476 A490 L491 N494 K519	N371-H479 PolarHBondContact OD1-N 3.24Å; M374-H479 HydrophobicContact CE-CB 3.98Å; M374-H479 VanDerWaalsContact CE-CD2 3.43Å; M374-H479 WeakPolarHBondContact CE-CD2 3.34Å; R378-H479 PolarHBondContact NH2-CD2 3.5Å; R378-H479 PolarHBondContact NH2-NE2 3.01Å; L474-H479 PolarHBondContact O-NE2 3.25Å; E476-H479 PolarHBondContact O-CD2 3.41Å; E476-H479 PolarHBondContact O-NE2 3.05Å; H479-A490 CarbonylContact O-C 3.59Å; H479-L491 HydrophobicContact CB-CD1 4.07Å; H479-L491 WeakPolarHBondContact O-CA 3.36Å; H479-L491 PolarHBondContact O-N 2.94Å; H479-L491 VanDerWaalsContact O-N 3.07Å; H479-N494 WeakPolarHBondContact CA-ND2 3.31Å; H479-N494 HydrophobicContact CB-CB 4.44Å; H479-N494 PolarHBondContact O-ND2 2.98Å; H479-K519 PolarHBondContact CE1-NZ 3.02Å; H479-K519 PolarHBondContact ND1-NZ 3.1Å
480	F	89.3	Confident	86.5	Confident	3 Å²	3	61.8 Å²	61.8	1%	0.013	29%	0.291	C	S	.	.	S	Bend	trans	-100.6	-5.8	-175.5	-69.5	-85.4	0	0	0	114.3	G367 R370 N371 M374 Y463 P487 L491	G367-F480 WeakPolarHBondContact O-CB 3.39Å; R370-F480 HydrophobicContact CB-CB 4.23Å; R370-F480 HydrophobicContact CB-CD1 3.73Å; R370-F480 HydrophobicContact CB-CD2 3.61Å; R370-F480 HydrophobicContact CB-CE1 3.88Å; R370-F480 HydrophobicContact CB-CE2 3.76Å; R370-F480 HydrophobicContact CB-CG 3.6Å; R370-F480 HydrophobicContact CB-CZ 3.9Å; R370-F480 HydrophobicContact CG-CD1 4.31Å; R370-F480 HydrophobicContact CG-CE1 4.31Å; N371-F480 WeakPolarHBondContact OD1-CD2 3.41Å; N371-F480 PolarHBondContact OD1-N 2.74Å; M374-F480 HydrophobicContact CB-CE2 4.42Å; M374-F480 HydrophobicContact CE-CD2 3.82Å; M374-F480 HydrophobicContact CE-CE2 3.49Å; M374-F480 VanDerWaalsContact CE-CE2 3.49Å; M374-F480 HydrophobicContact SD-CE2 3.87Å; Y463-F480 WeakPolarHBondContact OH-CE1 3.49Å; Y463-F480 WeakPolarHBondContact OH-CZ 3.41Å; F480-P487 HydrophobicContact CB-CB 4.23Å; F480-P487 HydrophobicContact CD1-CB 4.1Å; F480-P487 WeakPolarHBondContact CD1-O 3.26Å; F480-P487 WeakPolarHBondContact O-CA 3Å; F480-L491 HydrophobicContact CD1-CB 3.8Å; F480-L491 HydrophobicContact CE1-CB 3.57Å; F480-L491 HydrophobicContact CE1-CD1 4.22Å; F480-L491 HydrophobicContact CE1-CD2 3.59Å; F480-L491 HydrophobicContact CE1-CG 3.96Å; F480-L491 HydrophobicContact CE2-CD1 4.13Å; F480-L491 HydrophobicContact CG-CB 4.48Å; F480-L491 HydrophobicContact CZ-CB 4.09Å; F480-L491 HydrophobicContact CZ-CD1 3.83Å; F480-L491 HydrophobicContact CZ-CD2 3.62Å; F480-L491 HydrophobicContact CZ-CG 4.02Å
481	V	85.9	Confident	86.5	Confident	62 Å²	62	62 Å²	62	38%	0.376	29%	0.292	S	S	.	.			trans	-116.6	104.2	178.2	-174.6	0	0	0	0	109.7	E368 N478	E368-V481 HydrophobicContact CG-CG2 4.36Å; N478-V481 PolarHBondContact ND2-O 2.87Å; N478-V481 VanDerWaalsContact ND2-O 3.13Å; N478-V481 WeakPolarHBondContact OD1-CA 3.33Å; N478-V481 WeakPolarHBondContact OD1-CB 3.43Å; N478-V481 PolarHBondContact OD1-N 2.94Å; N478-V481 PolarHBondContact OD1-O 3.02Å
482	L	80.3	Confident	86.5	Confident	61 Å²	61	58.9 Å²	58.9	32%	0.319	28%	0.28	S	S	.	.			trans	-131.8	134.3	168.6	-163.7	76.8	0	0	0	108.8	K484 L485 A490	L482-K484 PolarHBondContact O-N 3.2Å; L482-L485 HydrophobicContact CD2-CD1 3.57Å; L482-L485 HydrophobicContact CD2-CG 4.25Å; L482-L485 PolarHBondContact O-N 2.72Å; L482-A490 HydrophobicContact CB-CB 3.91Å
483	E	76.6	Confident	86.4	Confident	161 Å²	161	58.5 Å²	58.5	75%	0.752	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	128.6	-175.6	-152.1	-163.7	143.1	0	0	111.3	L485	E483-L485 VanDerWaalsContact C-N 3.26Å; E483-L485 PolarHBondContact O-N 2.98Å
484	K	78.4	Confident	86.4	Confident	176 Å²	176	56.7 Å²	56.7	77%	0.765	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	6.6	176.8	-49.4	174.3	-176.2	173.3	0	116.7	L482	L482-K484 PolarHBondContact O-N 3.2Å
485	L	84.7	Confident	86.4	Confident	36 Å²	36	56.8 Å²	56.8	19%	0.188	26%	0.263	C	S	.	.	S	Bend	trans	-107.8	148.6	168.3	-56.2	-174.8	0	0	0	110.4	L482 E483 M489	L482-L485 HydrophobicContact CD2-CD1 3.57Å; L482-L485 HydrophobicContact CD2-CG 4.25Å; L482-L485 PolarHBondContact O-N 2.72Å; E483-L485 VanDerWaalsContact C-N 3.26Å; E483-L485 PolarHBondContact O-N 2.98Å; L485-M489 HydrophobicContact CB-CB 4.25Å; L485-M489 HydrophobicContact CB-CE 4.42Å; L485-M489 HydrophobicContact CD1-CE 4.39Å; L485-M489 HydrophobicContact CD2-CE 3.41Å; L485-M489 VanDerWaalsContact CD2-CE 3.41Å; L485-M489 HydrophobicContact CG-CE 4.26Å
486	D	90.3	Very high	86.5	Confident	69 Å²	69	51.8 Å²	51.8	37%	0.369	24%	0.241	S	C	.	.			trans	-66.2	157.9	165.6	66.8	87.8	0	0	0	110.6	D488 M489 A490	D486-D488 VanDerWaalsContact C-N 3.32Å; D486-D488 PolarHBondContact O-N 3.48Å; D486-D488 PolarHBondContact OD1-N 2.77Å; D486-M489 PolarHBondContact O-N 3.25Å; D486-M489 PolarHBondContact OD1-N 2.88Å; D486-M489 VanDerWaalsContact OD2-CB 3.26Å; D486-M489 WeakPolarHBondContact OD2-CB 3.49Å; D486-M489 WeakPolarHBondContact OD2-CG 3.3Å; D486-A490 PolarHBondContact O-N 3.19Å
487	P	93.1	Very high	86.2	Confident	22 Å²	22	51.6 Å²	51.6	14%	0.143	24%	0.24	C	C	.	.	H	α-helix	trans	-57.1	-39	-175	-28.3	36.2	0	0	0	115	Q366 F480 A490 L491	Q366-P487 HydrophobicContact CB-CG 4.02Å; F480-P487 HydrophobicContact CB-CB 4.23Å; F480-P487 HydrophobicContact CD1-CB 4.1Å; F480-P487 WeakPolarHBondContact CD1-O 3.26Å; F480-P487 WeakPolarHBondContact O-CA 3Å; P487-A490 WeakPolarHBondContact O-CB 3.38Å; P487-A490 PolarHBondContact O-N 3.41Å; P487-L491 PolarHBondContact O-N 2.98Å
488	D	92.9	Very high	85.5	Confident	19 Å²	19	45.4 Å²	45.4	10%	0.102	22%	0.219	C	C	.	.	H	α-helix	trans	-72.8	-39.9	-178	-65.5	-37.2	0	0	0	110.8	F458 A460 D486 A490 L491 C492	F458-D488 HydrophobicContact CE2-CB 3.96Å; F458-D488 HydrophobicContact CZ-CB 3.97Å; A460-D488 HydrophobicContact CB-CB 4.01Å; A460-D488 WeakPolarHBondContact CB-OD2 3.3Å; D486-D488 VanDerWaalsContact C-N 3.32Å; D486-D488 PolarHBondContact O-N 3.48Å; D486-D488 PolarHBondContact OD1-N 2.77Å; D488-A490 VanDerWaalsContact C-N 3.29Å; D488-A490 PolarHBondContact O-N 2.94Å; D488-L491 PolarHBondContact O-N 3.42Å; D488-C492 WeakPolarHBondContact O-CB 3.33Å; D488-C492 PolarHBondContact O-N 3.5Å; D488-C492 PolarHBondContact O-SG 3.35Å
489	M	91.9	Very high	84.2	Confident	11 Å²	11	42.8 Å²	42.8	5%	0.054	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-40.3	171.1	-82.2	-172.6	37.9	0	0	111.3	W427 Y435 F458 L485 D486 R493	W427-M489 HydrophobicContact CH2-CG 3.91Å; W427-M489 HydrophobicContact CH2-SD 3.56Å; W427-M489 VanDerWaalsContact CH2-SD 3.56Å; W427-M489 HydrophobicContact CZ3-CG 4.24Å; W427-M489 HydrophobicContact CZ3-SD 4.08Å; Y435-M489 HydrophobicContact CD1-CE 4.03Å; Y435-M489 HydrophobicContact CD1-SD 4.02Å; Y435-M489 HydrophobicContact CE1-CE 3.87Å; Y435-M489 HydrophobicContact CE1-SD 4.11Å; Y435-M489 HydrophobicContact CG-CE 4.46Å; F458-M489 HydrophobicContact CD2-CG 4.07Å; F458-M489 HydrophobicContact CE2-CB 4.34Å; F458-M489 HydrophobicContact CE2-CG 3.63Å; L485-M489 HydrophobicContact CB-CB 4.25Å; L485-M489 HydrophobicContact CB-CE 4.42Å; L485-M489 HydrophobicContact CD1-CE 4.39Å; L485-M489 HydrophobicContact CD2-CE 3.41Å; L485-M489 VanDerWaalsContact CD2-CE 3.41Å; L485-M489 HydrophobicContact CG-CE 4.26Å; D486-M489 PolarHBondContact O-N 3.25Å; D486-M489 PolarHBondContact OD1-N 2.88Å; D486-M489 VanDerWaalsContact OD2-CB 3.26Å; D486-M489 WeakPolarHBondContact OD2-CB 3.49Å; D486-M489 WeakPolarHBondContact OD2-CG 3.3Å; M489-R493 WeakPolarHBondContact O-CB 3.31Å; M489-R493 PolarHBondContact O-N 3.29Å
490	A	91.8	Very high	82.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-48.7	176.2	0	0	0	0	0	111.4	H479 L482 D486 P487 D488 C492 R493 N494	H479-A490 CarbonylContact O-C 3.59Å; L482-A490 HydrophobicContact CB-CB 3.91Å; D486-A490 PolarHBondContact O-N 3.19Å; P487-A490 WeakPolarHBondContact O-CB 3.38Å; P487-A490 PolarHBondContact O-N 3.41Å; D488-A490 VanDerWaalsContact C-N 3.29Å; D488-A490 PolarHBondContact O-N 2.94Å; A490-C492 PolarHBondContact O-N 3.44Å; A490-R493 PolarHBondContact O-N 2.91Å; A490-N494 VanDerWaalsContact O-CB 3.23Å; A490-N494 WeakPolarHBondContact O-CB 3.47Å; A490-N494 PolarHBondContact O-N 3.16Å; A490-N494 PolarHBondContact O-ND2 3.48Å; A490-N494 VanDerWaalsContact O-ND2 3.1Å
491	L	92.9	Very high	80.5	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-57	-53	176.3	171	70	0	0	0	110.9	Y463 H479 F480 P487 D488 R493 N494 S495	Y463-L491 HydrophobicContact CE1-CD2 4.25Å; Y463-L491 HydrophobicContact CE2-CD2 3.94Å; H479-L491 HydrophobicContact CB-CD1 4.07Å; H479-L491 WeakPolarHBondContact O-CA 3.36Å; H479-L491 PolarHBondContact O-N 2.94Å; H479-L491 VanDerWaalsContact O-N 3.07Å; F480-L491 HydrophobicContact CD1-CB 3.8Å; F480-L491 HydrophobicContact CE1-CB 3.57Å; F480-L491 HydrophobicContact CE1-CD1 4.22Å; F480-L491 HydrophobicContact CE1-CD2 3.59Å; F480-L491 HydrophobicContact CE1-CG 3.96Å; F480-L491 HydrophobicContact CE2-CD1 4.13Å; F480-L491 HydrophobicContact CG-CB 4.48Å; F480-L491 HydrophobicContact CZ-CB 4.09Å; F480-L491 HydrophobicContact CZ-CD1 3.83Å; F480-L491 HydrophobicContact CZ-CD2 3.62Å; F480-L491 HydrophobicContact CZ-CG 4.02Å; P487-L491 PolarHBondContact O-N 2.98Å; D488-L491 PolarHBondContact O-N 3.42Å; L491-R493 VanDerWaalsContact C-N 3.32Å; L491-R493 PolarHBondContact O-N 3.24Å; L491-N494 PolarHBondContact O-N 3.04Å; L491-S495 WeakPolarHBondContact O-CB 3.42Å; L491-S495 PolarHBondContact O-N 3.44Å; L491-S495 PolarHBondContact O-OG 2.98Å
492	C	93	Very high	78.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-41.6	-174.7	-66	0	0	0	0	110.1	F458 M459 D488 A490 S495 R496 M523	F458-C492 HydrophobicContact CD2-CB 4.1Å; M459-C492 PolarHBondContact N-SG 2.87Å; M459-C492 VanDerWaalsContact N-SG 3.44Å; M459-C492 PolarHBondContact O-SG 3.45Å; D488-C492 WeakPolarHBondContact O-CB 3.33Å; D488-C492 PolarHBondContact O-N 3.5Å; D488-C492 PolarHBondContact O-SG 3.35Å; A490-C492 PolarHBondContact O-N 3.44Å; C492-S495 PolarHBondContact O-N 2.99Å; C492-R496 WeakPolarHBondContact O-CG 3.3Å; C492-R496 PolarHBondContact O-N 3.43Å; C492-R496 VanDerWaalsContact O-N 3.07Å; C492-R496 PolarHBondContact O-NH1 3.2Å; C492-R496 VanDerWaalsContact O-NH1 3.17Å; C492-M523 HydrophobicContact CB-CE 3.87Å; C492-M523 HydrophobicContact CB-SD 4Å
493	R	89.5	Confident	76.8	Confident	101 Å²	101	53.7 Å²	53.7	38%	0.381	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-49.6	174.7	-180	-179.3	177.6	175.7	4.1	111.3	M489 A490 L491 S495 R496 E497	M489-R493 WeakPolarHBondContact O-CB 3.31Å; M489-R493 PolarHBondContact O-N 3.29Å; A490-R493 PolarHBondContact O-N 2.91Å; L491-R493 VanDerWaalsContact C-N 3.32Å; L491-R493 PolarHBondContact O-N 3.24Å; R493-S495 PolarHBondContact O-N 3.09Å; R493-R496 PolarHBondContact O-N 2.95Å; R493-E497 PolarHBondContact O-N 3Å
494	N	88.2	Confident	75.1	Confident	21 Å²	21	55.8 Å²	55.8	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-28.5	-179.1	-75	-30.5	0	0	0	112.4	H479 A490 L491 K519	H479-N494 WeakPolarHBondContact CA-ND2 3.31Å; H479-N494 HydrophobicContact CB-CB 4.44Å; H479-N494 PolarHBondContact O-ND2 2.98Å; A490-N494 VanDerWaalsContact O-CB 3.23Å; A490-N494 WeakPolarHBondContact O-CB 3.47Å; A490-N494 PolarHBondContact O-N 3.16Å; A490-N494 PolarHBondContact O-ND2 3.48Å; A490-N494 VanDerWaalsContact O-ND2 3.1Å; L491-N494 PolarHBondContact O-N 3.04Å; N494-K519 WeakPolarHBondContact O-CD 3.33Å; N494-K519 PolarHBondContact O-NZ 2.83Å
495	S	89.1	Confident	73.5	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-76.8	-40	176.4	-57.9	0	0	0	0	112.5	L491 C492 R493 V521	L491-S495 WeakPolarHBondContact O-CB 3.42Å; L491-S495 PolarHBondContact O-N 3.44Å; L491-S495 PolarHBondContact O-OG 2.98Å; C492-S495 PolarHBondContact O-N 2.99Å; R493-S495 PolarHBondContact O-N 3.09Å; S495-V521 PolarHBondContact O-N 3.19Å
496	R	85.6	Confident	71.4	Confident	37 Å²	37	54.7 Å²	54.7	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-77.6	-22.4	-179.8	-65.7	-179.4	-40.5	-99	-0.8	114.2	M258 P457 C492 R493 M498 M523	M258-R496 HydrophobicContact CE-CB 4.08Å; M258-R496 HydrophobicContact CE-CG 4.2Å; P457-R496 WeakPolarHBondContact O-CD 3.49Å; P457-R496 VanDerWaalsContact O-CZ 3.31Å; P457-R496 PolarHBondContact O-NH1 3.07Å; C492-R496 WeakPolarHBondContact O-CG 3.3Å; C492-R496 PolarHBondContact O-N 3.43Å; C492-R496 VanDerWaalsContact O-N 3.07Å; C492-R496 PolarHBondContact O-NH1 3.2Å; C492-R496 VanDerWaalsContact O-NH1 3.17Å; R493-R496 PolarHBondContact O-N 2.95Å; R496-M498 WeakPolarHBondContact O-CG 3.22Å; R496-M498 PolarHBondContact O-N 2.87Å; R496-M523 HydrophobicContact CG-CE 3.5Å; R496-M523 VanDerWaalsContact CG-CE 3.5Å
497	E	76.3	Confident	69.1	Low	38 Å²	38	57.6 Å²	57.6	18%	0.178	28%	0.28	C	S	.	.			trans	-56.9	114.3	-172.9	-170.1	63.6	-114.5	0	0	110.5	R80 R493 T499 H501 K519 G520	R80-E497 IonicContact NH2-OE1 3.17Å; R493-E497 PolarHBondContact O-N 3Å; E497-T499 WeakPolarHBondContact OE1-CB 3.27Å; E497-T499 PolarHBondContact OE1-N 3.11Å; E497-T499 PolarHBondContact OE1-OG1 3.36Å; E497-H501 IonicContact OE2-NE2 2.79Å; E497-K519 PolarHBondContact O-N 3.29Å; E497-G520 PolarHBondContact O-N 2.86Å
498	M	59.3	Low	66.8	Low	54 Å²	54	59 Å²	59	27%	0.266	29%	0.29	S	S	.	.			trans	-105.4	14.5	179.6	-66.9	-149.4	-66.3	0	0	112.1	K257 R496 P518	K257-M498 HydrophobicContact CB-CE 4.03Å; K257-M498 HydrophobicContact CD-CE 3.52Å; K257-M498 HydrophobicContact CG-CE 3.7Å; R496-M498 WeakPolarHBondContact O-CG 3.22Å; R496-M498 PolarHBondContact O-N 2.87Å; M498-P518 HydrophobicContact CB-CB 4.49Å; M498-P518 WeakPolarHBondContact O-CB 3.45Å
499	T	53.3	Low	64.3	Low	21 Å²	21	63.4 Å²	63.4	13%	0.129	32%	0.319	C	S	.	.	S	Bend	trans	-112	148.9	177.7	70.2	0	0	0	0	111.3	R80 E497	R80-T499 HydrophobicContact CG-CG2 4.18Å; R80-T499 PolarHBondContact NE-OG1 3.45Å; R80-T499 PolarHBondContact NH2-OG1 3.13Å; E497-T499 WeakPolarHBondContact OE1-CB 3.27Å; E497-T499 PolarHBondContact OE1-N 3.11Å; E497-T499 PolarHBondContact OE1-OG1 3.36Å
500	S	48.8	Very low	61.9	Low	13 Å²	13	71.7 Å²	71.7	9%	0.091	36%	0.358	C	S	.	.			trans	-84.8	115.3	-177.9	-62.7	0	0	0	0	110.8	D77 R516	D77-S500 PolarHBondContact OD1-N 3.42Å; S500-R516 WeakPolarHBondContact CA-O 3.35Å; S500-R516 VanDerWaalsContact CB-O 3.23Å; S500-R516 WeakPolarHBondContact CB-O 3.38Å; S500-R516 PolarHBondContact OG-O 3.18Å
501	H	47.9	Very low	59.5	Low	62 Å²	62	73.1 Å²	73.1	29%	0.287	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-86.3	136.2	176.7	-77	-79.2	0	0	0	112.1	R80 E497 E503 L515 R516	R80-H501 PolarHBondContact NH2-CE1 2.72Å; E497-H501 IonicContact OE2-NE2 2.79Å; H501-E503 PolarHBondContact O-N 3.02Å; H501-L515 CarbonylContact O-C 3.45Å; H501-L515 WeakPolarHBondContact O-CA 3.15Å; H501-R516 HydrophobicContact CB-CB 4.22Å; H501-R516 HydrophobicContact CB-CG 4.35Å; H501-R516 PolarHBondContact O-N 2.9Å
502	R	44	Very low	56.9	Low	187 Å²	187	79.1 Å²	79.1	71%	0.706	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-65.5	130.8	164.5	-72.3	-175.7	177.7	178.5	-1.1	109.6	K504 L515	R502-K504 PolarHBondContact O-N 2.73Å; R502-L515 HydrophobicContact CG-CD2 4.19Å
503	E	45.7	Very low	54.3	Low	92 Å²	92	86.6 Å²	86.6	43%	0.43	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-62.9	123	167.3	-74.6	-173.2	162.2	0	0	109.9	H501 D505 M514 R516	H501-E503 PolarHBondContact O-N 3.02Å; E503-D505 PolarHBondContact O-N 3.17Å; E503-M514 PolarHBondContact N-O 3.05Å; E503-M514 VanDerWaalsContact N-O 3.16Å; E503-M514 WeakPolarHBondContact OE2-CE 3.25Å; E503-R516 HydrophobicContact CG-CG 4.48Å
504	K	41.1	Very low	52	Low	205 Å²	205	86.1 Å²	86.1	89%	0.891	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.1	-178.3	-106.8	-178.8	174.9	-177.2	0	113.6	R502	R502-K504 PolarHBondContact O-N 2.73Å
505	D	44.7	Very low	49.9	Very low	152 Å²	152	88.2 Å²	88.2	81%	0.813	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	27	-169	-57.4	-44.9	0	0	0	114.1	E503 P507	E503-D505 PolarHBondContact O-N 3.17Å; D505-P507 WeakPolarHBondContact O-CD 3.47Å
506	S	40.4	Very low	48	Very low	38 Å²	38	93 Å²	93	27%	0.266	46%	0.46	S	S	.	.			trans	-72.7	120.9	175.8	-91.8	0	0	0	0	112.1	S508 M514	S506-S508 PolarHBondContact O-N 3.3Å; S506-M514 WeakPolarHBondContact OG-CE 3.46Å
507	P	41.8	Very low	46.2	Very low	130 Å²	130	94.8 Å²	94.8	84%	0.844	48%	0.478	S	S	*	.			trans	-86.6	7.1	-170.2	29	-27.8	0	0	0	115.9	D505	D505-P507 WeakPolarHBondContact O-CD 3.47Å
508	S	43.7	Very low	45.3	Very low	52 Å²	52	95.8 Å²	95.8	36%	0.364	49%	0.488	S	S	.	.	S	Bend	trans	-138.7	147.7	177.6	73.1	0	0	0	0	114.8	S506 E510 S511	S506-S508 PolarHBondContact O-N 3.3Å; S508-E510 PolarHBondContact O-N 3.32Å; S508-E510 VanDerWaalsContact O-N 3.1Å; S508-S511 PolarHBondContact O-N 2.93Å; S508-S511 PolarHBondContact O-OG 3.28Å; S508-S511 PolarHBondContact OG-OG 2.96Å
509	P	40.9	Very low	45.8	Very low	110 Å²	110	94.5 Å²	94.5	71%	0.714	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-3.9	172.9	-19	31.9	0	0	0	114.8	F512	P509-F512 HydrophobicContact CB-CE2 4.37Å; P509-F512 WeakPolarHBondContact O-CD2 3.4Å
510	E	41.1	Very low	47.2	Very low	186 Å²	186	93.8 Å²	93.8	87%	0.869	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-13.3	178	-68.5	162.3	176.2	0	0	111.9	S508 F512	S508-E510 PolarHBondContact O-N 3.32Å; S508-E510 VanDerWaalsContact O-N 3.1Å; E510-F512 VanDerWaalsContact C-N 3.35Å; E510-F512 PolarHBondContact O-N 3.29Å
511	S	43.2	Very low	49.3	Very low	29 Å²	29	93.2 Å²	93.2	20%	0.203	47%	0.474	C	S	.	.			trans	-96	33.9	174.5	51.8	0	0	0	0	113.5	S508 H513 M514	S508-S511 PolarHBondContact O-N 2.93Å; S508-S511 PolarHBondContact O-OG 3.28Å; S508-S511 PolarHBondContact OG-OG 2.96Å; S511-H513 PolarHBondContact O-N 3.09Å; S511-M514 PolarHBondContact O-N 2.84Å
512	F	36.9	Very low	51.5	Low	131 Å²	131	90.7 Å²	90.7	58%	0.575	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-0.8	179	-106.7	-103	0	0	0	115.7	P509 E510	P509-F512 HydrophobicContact CB-CE2 4.37Å; P509-F512 WeakPolarHBondContact O-CD2 3.4Å; E510-F512 VanDerWaalsContact C-N 3.35Å; E510-F512 PolarHBondContact O-N 3.29Å
513	H	40	Very low	54	Low	157 Å²	157	81.9 Å²	81.9	73%	0.727	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	24.9	-173.5	-64	-64.9	0	0	0	115.2	S511 L515	S511-H513 PolarHBondContact O-N 3.09Å; H513-L515 VanDerWaalsContact C-N 3.25Å; H513-L515 PolarHBondContact O-N 3.14Å
514	M	39.4	Very low	56.5	Low	90 Å²	90	79.7 Å²	79.7	44%	0.443	42%	0.417	S	S	.	.			trans	-79.6	81.4	169	-64.3	-152	-67.5	0	0	110.6	E503 S506 S511	E503-M514 PolarHBondContact N-O 3.05Å; E503-M514 VanDerWaalsContact N-O 3.16Å; E503-M514 WeakPolarHBondContact OE2-CE 3.25Å; S506-M514 WeakPolarHBondContact OG-CE 3.46Å; S511-M514 PolarHBondContact O-N 2.84Å
515	L	45.1	Very low	59.2	Low	66 Å²	66	70 Å²	70	35%	0.346	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-87.3	120.6	173.5	-80.2	175.5	0	0	0	109	H501 R502 H513 S517	H501-L515 CarbonylContact O-C 3.45Å; H501-L515 WeakPolarHBondContact O-CA 3.15Å; R502-L515 HydrophobicContact CG-CD2 4.19Å; H513-L515 VanDerWaalsContact C-N 3.25Å; H513-L515 PolarHBondContact O-N 3.14Å; L515-S517 PolarHBondContact O-N 3.35Å
516	R	49.8	Very low	61.8	Low	103 Å²	103	62.9 Å²	62.9	39%	0.389	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-58.8	136.7	170.6	-72.7	179	170.1	-165	12.7	109	E476 S500 H501 E503	E476-R516 WeakPolarHBondContact OE1-CD 3.37Å; E476-R516 IonicContact OE1-CZ 2.73Å; E476-R516 IonicContact OE1-NE 3.42Å; E476-R516 PolarHBondContact OE1-NE 2.86Å; E476-R516 IonicContact OE1-NH1 3.19Å; E476-R516 PolarHBondContact OE1-NH1 3.05Å; E476-R516 IonicContact OE2-NH1 3.29Å; E476-R516 PolarHBondContact OE2-NH1 3.28Å; S500-R516 WeakPolarHBondContact CA-O 3.35Å; S500-R516 VanDerWaalsContact CB-O 3.23Å; S500-R516 WeakPolarHBondContact CB-O 3.38Å; S500-R516 PolarHBondContact OG-O 3.18Å; H501-R516 HydrophobicContact CB-CB 4.22Å; H501-R516 HydrophobicContact CB-CG 4.35Å; H501-R516 PolarHBondContact O-N 2.9Å; E503-R516 HydrophobicContact CG-CG 4.48Å
517	S	46	Very low	64.5	Low	74 Å²	74	61.1 Å²	61.1	52%	0.517	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.5	136.6	178.1	-72.8	0	0	0	0	110.7	L515 K519	L515-S517 PolarHBondContact O-N 3.35Å; S517-K519 PolarHBondContact O-N 3.13Å
518	P	57.5	Low	67.1	Low	60 Å²	60	58.1 Å²	58.1	39%	0.39	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-62.1	137.1	171.3	28.2	-34.6	0	0	0	109.7	M498	M498-P518 HydrophobicContact CB-CB 4.49Å; M498-P518 WeakPolarHBondContact O-CB 3.45Å
519	K	70.6	Confident	69.7	Low	27 Å²	27	59.4 Å²	59.4	12%	0.117	30%	0.297	C	S	.	.			trans	-92.6	-59.7	-175	-72.4	164.5	176.4	172.3	0	110.5	L474 E476 H479 N494 E497 S517 V521	L474-K519 HydrophobicContact CD2-CD 3.71Å; L474-K519 HydrophobicContact CD2-CG 4.33Å; E476-K519 IonicContact OE2-NZ 2.95Å; E476-K519 PolarHBondContact OE2-NZ 2.93Å; H479-K519 PolarHBondContact CE1-NZ 3.02Å; H479-K519 PolarHBondContact ND1-NZ 3.1Å; N494-K519 WeakPolarHBondContact O-CD 3.33Å; N494-K519 PolarHBondContact O-NZ 2.83Å; E497-K519 PolarHBondContact O-N 3.29Å; S517-K519 PolarHBondContact O-N 3.13Å; K519-V521 HydrophobicContact CB-CG2 4.26Å; K519-V521 PolarHBondContact O-N 2.87Å
520	G	82.8	Confident	72.3	Confident	6 Å²	6	60.6 Å²	60.6	6%	0.062	29%	0.293	C	S	.	.			trans	56.6	32.5	178.4	0	0	0	0	0	114.3	E497 F522	E497-G520 PolarHBondContact O-N 2.86Å; G520-F522 PolarHBondContact O-N 3.38Å
521	V	92.3	Very high	75	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	25%	0.252	C	S	.	.			trans	-76	123.6	-178.5	-176.7	0	0	0	0	108.7	K410 V411 V469 E473 L474 S495 K519	K410-V521 HydrophobicContact CB-CG1 4.05Å; K410-V521 HydrophobicContact CD-CG1 4.11Å; V411-V521 HydrophobicContact CG2-CG1 3.95Å; V469-V521 HydrophobicContact CG1-CG1 4.34Å; E473-V521 HydrophobicContact CB-CG2 4.14Å; L474-V521 HydrophobicContact CD2-CG2 4.38Å; S495-V521 PolarHBondContact O-N 3.19Å; K519-V521 HydrophobicContact CB-CG2 4.26Å; K519-V521 PolarHBondContact O-N 2.87Å
522	F	95.3	Very high	77.6	Confident	9 Å²	9	51.2 Å²	51.2	4%	0.039	25%	0.25	C	C	.	.			trans	-73.3	140.9	175	-70.8	-3.1	0	0	0	110.3	D48 R52 N455 G520 Y524	D48-F522 HydrophobicContact CB-CB 4.09Å; D48-F522 HydrophobicContact CB-CD1 3.91Å; D48-F522 HydrophobicContact CB-CD2 3.48Å; D48-F522 VanDerWaalsContact CB-CD2 3.48Å; D48-F522 HydrophobicContact CB-CE1 4.19Å; D48-F522 HydrophobicContact CB-CE2 3.79Å; D48-F522 HydrophobicContact CB-CG 3.55Å; D48-F522 HydrophobicContact CB-CZ 4.14Å; D48-F522 PolarHBondContact OD2-N 2.98Å; R52-F522 HydrophobicContact CB-CE2 4.37Å; N455-F522 WeakPolarHBondContact ND2-CD2 3.44Å; N455-F522 VanDerWaalsContact ND2-CE2 3.32Å; N455-F522 WeakPolarHBondContact ND2-CE2 3.38Å; N455-F522 WeakPolarHBondContact ND2-CG 3.45Å; G520-F522 PolarHBondContact O-N 3.38Å; F522-Y524 HydrophobicContact CB-CD2 4.35Å; F522-Y524 HydrophobicContact CB-CE2 3.6Å; F522-Y524 WeakPolarHBondContact CD2-OH 3.34Å
523	M	96.8	Very high	80.5	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.4	175.5	-66.1	175.4	-61.8	0	0	107.8	V411 N455 I456 P457 M459 C492 R496	V411-M523 HydrophobicContact CB-CG 4.19Å; V411-M523 HydrophobicContact CG1-CB 4.39Å; V411-M523 HydrophobicContact CG1-CG 3.97Å; N455-M523 WeakPolarHBondContact CA-O 3.35Å; N455-M523 PolarHBondContact OD1-O 2.96Å; I456-M523 VanDerWaalsContact CG1-O 3.27Å; I456-M523 WeakPolarHBondContact CG1-O 3.42Å; I456-M523 PolarHBondContact N-O 2.93Å; P457-M523 WeakPolarHBondContact O-CE 3.49Å; M459-M523 HydrophobicContact CG-SD 4.45Å; M459-M523 HydrophobicContact SD-CB 3.82Å; M459-M523 HydrophobicContact SD-CG 4.07Å; M459-M523 HydrophobicContact SD-SD 4.19Å; C492-M523 HydrophobicContact CB-CE 3.87Å; C492-M523 HydrophobicContact CB-SD 4Å; R496-M523 HydrophobicContact CG-CE 3.5Å; R496-M523 VanDerWaalsContact CG-CE 3.5Å
524	Y	97.7	Very high	83.2	Confident	45 Å²	45	39.8 Å²	39.8	18%	0.176	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.2	-175.9	-66.9	-87.4	0	0	0	111.6	R409 V411 I412 G413 V453 W454 N455 M459 F522	R409-Y524 HydrophobicContact CB-CD2 3.96Å; R409-Y524 HydrophobicContact CB-CE2 4.46Å; R409-Y524 HydrophobicContact CG-CD2 4.01Å; R409-Y524 HydrophobicContact CG-CE2 4.42Å; R409-Y524 HydrophobicContact CG-CG 4.26Å; V411-Y524 PolarHBondContact O-N 3.16Å; I412-Y524 CarbonylContact C-O 3.27Å; I412-Y524 VanDerWaalsContact CA-O 3.26Å; I412-Y524 WeakPolarHBondContact CA-O 3.42Å; G413-Y524 PolarHBondContact N-O 2.99Å; V453-Y524 HydrophobicContact CG1-CD1 3.71Å; V453-Y524 HydrophobicContact CG1-CG 4.07Å; W454-Y524 CarbonylContact O-C 3.56Å; W454-Y524 VanDerWaalsContact O-CA 3.23Å; W454-Y524 WeakPolarHBondContact O-CA 3.37Å; N455-Y524 HydrophobicContact CB-CD1 4.17Å; N455-Y524 HydrophobicContact CB-CE1 3.87Å; M459-Y524 WeakPolarHBondContact CE-O 3.25Å; F522-Y524 HydrophobicContact CB-CD2 4.35Å; F522-Y524 HydrophobicContact CB-CE2 3.6Å; F522-Y524 WeakPolarHBondContact CD2-OH 3.34Å
525	I	98.2	Very high	86	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.2	163.1	-163.9	82.3	0	0	0	109.1	G413 L415 F426 V453 W454 I456	G413-I525 CarbonylContact O-C 3.54Å; G413-I525 WeakPolarHBondContact O-CA 3.44Å; G413-I525 WeakPolarHBondContact O-CD1 3.47Å; L415-I525 HydrophobicContact CB-CG1 4.04Å; L415-I525 HydrophobicContact CD1-CG1 4.42Å; F426-I525 HydrophobicContact CB-CD1 4.26Å; F426-I525 HydrophobicContact CB-CG1 4.4Å; F426-I525 HydrophobicContact CD1-CG1 4.33Å; F426-I525 HydrophobicContact CD2-CG2 4.13Å; F426-I525 HydrophobicContact CE2-CG2 4.42Å; F426-I525 HydrophobicContact CG-CG1 4.39Å; F426-I525 HydrophobicContact CG-CG2 4.18Å; V453-I525 WeakPolarHBondContact CA-O 3.36Å; W454-I525 HydrophobicContact CB-CG2 3.87Å; W454-I525 HydrophobicContact CG-CG2 4.37Å; W454-I525 PolarHBondContact N-O 3.48Å; W454-I525 PolarHBondContact O-N 3.43Å; I456-I525 HydrophobicContact CD1-CB 3.6Å; I456-I525 HydrophobicContact CD1-CG2 3.9Å; I456-I525 HydrophobicContact CG1-CB 4.29Å; I456-I525 HydrophobicContact CG1-CG2 4.26Å; I456-I525 HydrophobicContact CG2-CG2 3.69Å
526	T	98.1	Very high	88.4	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.5	174.7	-174.1	0	0	0	0	111.6	L404 I412 G413 L415 G452 R528 F531	L404-T526 HydrophobicContact CD2-CG2 3.84Å; I412-T526 HydrophobicContact CD1-CG2 4.07Å; I412-T526 HydrophobicContact CG1-CG2 4.33Å; G413-T526 PolarHBondContact O-N 3.28Å; L415-T526 WeakPolarHBondContact CB-O 3.12Å; L415-T526 PolarHBondContact N-O 3.36Å; G452-T526 WeakPolarHBondContact O-CA 3.3Å; G452-T526 PolarHBondContact O-OG1 2.82Å; T526-R528 PolarHBondContact OG1-N 2.9Å; T526-F531 HydrophobicContact CG2-CE2 3.77Å; T526-F531 HydrophobicContact CG2-CZ 3.75Å; T526-F531 WeakPolarHBondContact O-CE2 3.37Å
527	N	97.9	Very high	90.6	Very high	2 Å²	2	29 Å²	29	1%	0.011	15%	0.151	C	C	.	.			trans	-119.5	18.5	174	68.7	-19.3	0	0	0	112.3	L415 I445 R448 R450 V451 G452 W454 H529	L415-N527 HydrophobicContact CB-CB 3.85Å; L415-N527 HydrophobicContact CD2-CB 3.48Å; L415-N527 VanDerWaalsContact CD2-CB 3.48Å; L415-N527 HydrophobicContact CG-CB 4.3Å; I445-N527 PolarHBondContact O-ND2 2.91Å; R448-N527 PolarHBondContact NE-O 3.14Å; R448-N527 PolarHBondContact NH2-O 3.44Å; R448-N527 VanDerWaalsContact NH2-O 3.12Å; R450-N527 PolarHBondContact O-ND2 3.23Å; V451-N527 WeakPolarHBondContact CA-OD1 3.36Å; G452-N527 PolarHBondContact N-OD1 3.04Å; G452-N527 PolarHBondContact O-N 2.93Å; G452-N527 PolarHBondContact O-OD1 3Å; G452-N527 VanDerWaalsContact O-OD1 3.11Å; W454-N527 PolarHBondContact NE1-OD1 3.18Å; N527-H529 PolarHBondContact O-N 2.9Å
528	R	96.3	Very high	92.7	Very high	66 Å²	66	27.7 Å²	27.7	25%	0.249	14%	0.144	C	C	.	.	S	Bend	trans	-57.4	-34.7	177	-67.6	-169.8	77.8	-175	5.5	112.7	C280 D281 R448 V451 T526	C280-R528 PolarHBondContact O-NH1 3.33Å; D281-R528 VanDerWaalsContact CG-NH2 3.34Å; D281-R528 IonicContact OD1-CZ 3.74Å; D281-R528 IonicContact OD1-NH1 3.44Å; D281-R528 PolarHBondContact OD1-NH1 3.3Å; D281-R528 IonicContact OD1-NH2 2.67Å; D281-R528 PolarHBondContact OD1-NH2 3.21Å; D281-R528 IonicContact OD2-NH2 2.83Å; D281-R528 PolarHBondContact OD2-NH2 2.78Å; D281-R528 VanDerWaalsContact OD2-NH2 3.17Å; R448-R528 PolarHBondContact NH2-O 3.17Å; V451-R528 VanDerWaalsContact CG1-CA 3.47Å; V451-R528 HydrophobicContact CG1-CB 4.38Å; V451-R528 HydrophobicContact CG1-CG 4.28Å; T526-R528 PolarHBondContact OG1-N 2.9Å
529	H	97.3	Very high	94.1	Very high	79 Å²	79	32.1 Å²	32.1	37%	0.366	17%	0.165	S	C	.	.	S	Bend	trans	-121.7	161.3	175.6	-56.4	-89.8	0	0	0	110.5	L403 N527 F531	L403-H529 HydrophobicContact CD1-CB 4.29Å; N527-H529 PolarHBondContact O-N 2.9Å; H529-F531 HydrophobicContact CB-CE1 4.11Å; H529-F531 HydrophobicContact CB-CE2 4.03Å; H529-F531 HydrophobicContact CB-CZ 3.83Å; H529-F531 WeakPolarHBondContact O-CD2 3.26Å; H529-F531 WeakPolarHBondContact O-CE2 3.49Å
530	E	97.1	Very high	95.3	Very high	136 Å²	136	31.9 Å²	31.9	64%	0.636	16%	0.163	S	C	*	.			trans	-78	121.2	159.8	-97.7	157.3	-137.5	0	0	108	N397 R448	N397-E530 WeakPolarHBondContact CB-O 3.42Å; N397-E530 PolarHBondContact ND2-O 2.87Å; R448-E530 IonicContact CZ-OE1 2.98Å; R448-E530 VanDerWaalsContact NH1-CD 3.32Å; R448-E530 VanDerWaalsContact NH1-CG 3.3Å; R448-E530 IonicContact NH1-OE1 3.88Å; R448-E530 PolarHBondContact NH1-OE1 3.24Å
531	F	97.8	Very high	95.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	18%	0.182	C	C	.	.			trans	-104.4	-39.6	-176	-67.9	-77.3	0	0	0	112.4	T396 N397 T400 L403 P414 V416 T526 H529	T396-F531 PolarHBondContact N-O 2.83Å; T396-F531 PolarHBondContact OG1-O 3.3Å; N397-F531 PolarHBondContact N-O 3.31Å; T400-F531 HydrophobicContact CG2-CD1 3.86Å; T400-F531 HydrophobicContact CG2-CE1 4.48Å; L403-F531 HydrophobicContact CB-CE1 4.09Å; L403-F531 HydrophobicContact CD1-CE1 3.83Å; P414-F531 HydrophobicContact CB-CB 3.6Å; P414-F531 HydrophobicContact CB-CD1 3.72Å; P414-F531 HydrophobicContact CB-CD2 3.42Å; P414-F531 VanDerWaalsContact CB-CD2 3.42Å; P414-F531 HydrophobicContact CB-CE1 4.2Å; P414-F531 HydrophobicContact CB-CE2 3.95Å; P414-F531 HydrophobicContact CB-CG 3.29Å; P414-F531 HydrophobicContact CB-CZ 4.31Å; P414-F531 HydrophobicContact CG-CB 4.48Å; V416-F531 HydrophobicContact CG1-CB 4.46Å; T526-F531 HydrophobicContact CG2-CE2 3.77Å; T526-F531 HydrophobicContact CG2-CZ 3.75Å; T526-F531 WeakPolarHBondContact O-CE2 3.37Å; H529-F531 HydrophobicContact CB-CE1 4.11Å; H529-F531 HydrophobicContact CB-CE2 4.03Å; H529-F531 HydrophobicContact CB-CZ 3.83Å; H529-F531 WeakPolarHBondContact O-CD2 3.26Å; H529-F531 WeakPolarHBondContact O-CE2 3.49Å
532	G	96.5	Very high	95.9	Very high	15 Å²	15	38.2 Å²	38.2	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-160.6	-174.9	0	0	0	0	0	111.9	M394 T396	M394-G532 WeakPolarHBondContact O-CA 3.19Å; T396-G532 WeakPolarHBondContact OG1-CA 3.28Å
533	R	97.2	Very high	95.8	Very high	33 Å²	33	42.1 Å²	42.1	13%	0.125	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.2	-178.5	59.8	-173.1	175.7	-96.2	1.4	110.9	M394 T417 D558 E561	M394-R533 HydrophobicContact CB-CG 3.99Å; M394-R533 PolarHBondContact N-O 3.01Å; M394-R533 PolarHBondContact O-N 3.39Å; T417-R533 VanDerWaalsContact O-CA 3.32Å; T417-R533 WeakPolarHBondContact O-CA 3.47Å; T417-R533 WeakPolarHBondContact O-CB 3.47Å; R533-D558 IonicContact CZ-OD1 3.65Å; R533-D558 IonicContact CZ-OD2 3.96Å; R533-D558 VanDerWaalsContact NE-CG 3.3Å; R533-D558 IonicContact NE-OD1 2.71Å; R533-D558 PolarHBondContact NE-OD1 3.15Å; R533-D558 IonicContact NE-OD2 3.85Å; R533-D558 PolarHBondContact NE-OD2 3.25Å; R533-D558 VanDerWaalsContact NH2-CG 3.35Å; R533-D558 IonicContact NH2-OD1 2.66Å; R533-D558 PolarHBondContact NH2-OD1 2.97Å; R533-D558 IonicContact NH2-OD2 3.39Å; R533-E561 IonicContact CZ-OE2 3.82Å; R533-E561 IonicContact NH1-OE2 2.79Å; R533-E561 IonicContact NH2-OE2 3.17Å; R533-E561 PolarHBondContact NH2-OE2 3.4Å
534	L	97.9	Very high	95.6	Very high	15 Å²	15	46 Å²	46	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.4	168.4	-66.4	170.7	0	0	0	109.4	D392 V393 V416 T417 R418 N425 H461	D392-L534 WeakPolarHBondContact O-CA 3.42Å; V393-L534 HydrophobicContact CG2-CD2 3.86Å; V416-L534 HydrophobicContact CB-CG 4.25Å; V416-L534 HydrophobicContact CG2-CD1 4.3Å; V416-L534 HydrophobicContact CG2-CD2 3.66Å; V416-L534 HydrophobicContact CG2-CG 3.72Å; T417-L534 PolarHBondContact O-N 3Å; R418-L534 WeakPolarHBondContact CA-O 3.32Å; R418-L534 HydrophobicContact CB-CB 4.45Å; N425-L534 HydrophobicContact CB-CD1 4.27Å; H461-L534 HydrophobicContact CB-CD2 4.02Å
535	I	97.4	Very high	95.4	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-88.4	155	168.9	58.1	159.4	0	0	0	110.6	T306 P307 D392 M394 N555 D558	T306-I535 HydrophobicContact CG2-CD1 3.64Å; P307-I535 HydrophobicContact CB-CD1 4.15Å; P307-I535 HydrophobicContact CG-CD1 4.48Å; P307-I535 WeakPolarHBondContact O-CD1 3.21Å; D392-I535 HydrophobicContact CB-CG1 4.02Å; D392-I535 WeakPolarHBondContact O-CG1 3.47Å; D392-I535 PolarHBondContact O-N 2.89Å; M394-I535 HydrophobicContact CB-CG2 4.46Å; M394-I535 HydrophobicContact CE-CD1 3.58Å; M394-I535 HydrophobicContact CE-CG1 4.23Å; M394-I535 HydrophobicContact CE-CG2 4.43Å; M394-I535 HydrophobicContact CG-CG1 4.48Å; M394-I535 HydrophobicContact CG-CG2 3.55Å; I535-N555 WeakPolarHBondContact CA-OD1 3.38Å; I535-N555 WeakPolarHBondContact CB-OD1 3.3Å; I535-D558 HydrophobicContact CG2-CB 4.42Å; I535-D558 WeakPolarHBondContact CG2-OD2 3.48Å
536	S	96.1	Very high	95.3	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.021	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-80.7	123.6	170.6	-166	0	0	0	0	110.3	R418 A538 E554 N555	R418-S536 PolarHBondContact NH1-OG 3.22Å; R418-S536 VanDerWaalsContact NH1-OG 3.16Å; R418-S536 PolarHBondContact NH2-OG 2.73Å; S536-A538 PolarHBondContact OG-N 3.19Å; S536-E554 PolarHBondContact OG-OE2 2.88Å; S536-N555 PolarHBondContact N-OD1 3.27Å; S536-N555 PolarHBondContact O-ND2 3.45Å
537	T	95.3	Very high	95.2	Very high	25 Å²	25	50.3 Å²	50.3	15%	0.153	26%	0.259	C	S	.	.			trans	-96.6	-6.2	165.7	56.3	0	0	0	0	112.1	Q304 T306 D392 N539 Y540	Q304-T537 HydrophobicContact CG-CG2 4.3Å; Q304-T537 PolarHBondContact NE2-OG1 3.32Å; T306-T537 HydrophobicContact CG2-CG2 3.98Å; D392-T537 HydrophobicContact CB-CG2 3.91Å; T537-N539 PolarHBondContact O-N 2.91Å; T537-Y540 PolarHBondContact O-N 2.89Å
538	A	89.9	Confident	95.2	Very high	45 Å²	45	50.7 Å²	50.7	37%	0.372	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	128.1	-178	0	0	0	0	0	110.9	S536 Y540	S536-A538 PolarHBondContact OG-N 3.19Å; A538-Y540 PolarHBondContact O-N 2.76Å
539	N	88.3	Confident	95.3	Very high	154 Å²	154	47.7 Å²	47.7	82%	0.824	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	25.9	179.5	-50.7	-46.8	0	0	0	114.5	T537 N541	T537-N539 PolarHBondContact O-N 2.91Å; N539-N541 PolarHBondContact O-N 3.1Å; N539-N541 VanDerWaalsContact O-N 3.15Å
540	Y	95.8	Very high	95.3	Very high	21 Å²	21	45.6 Å²	45.6	8%	0.082	24%	0.239	C	C	.	.			trans	-66.6	115	174.9	-176.7	-133	0	0	0	110.6	P305 P307 Y336 T537 A538 V542 N547 D548 Q551	P305-Y540 HydrophobicContact CB-CD1 3.68Å; P305-Y540 HydrophobicContact CB-CE1 4.33Å; P307-Y540 HydrophobicContact CB-CD2 4.45Å; P307-Y540 HydrophobicContact CB-CE2 4.23Å; P307-Y540 HydrophobicContact CG-CD1 4.11Å; P307-Y540 HydrophobicContact CG-CD2 3.65Å; P307-Y540 HydrophobicContact CG-CE1 4.35Å; P307-Y540 HydrophobicContact CG-CE2 3.91Å; P307-Y540 HydrophobicContact CG-CG 3.75Å; Y336-Y540 HydrophobicContact CE1-CE1 4.12Å; T537-Y540 PolarHBondContact O-N 2.89Å; A538-Y540 PolarHBondContact O-N 2.76Å; Y540-V542 HydrophobicContact CD1-CG1 4.01Å; Y540-V542 HydrophobicContact CE1-CG1 3.91Å; Y540-N547 HydrophobicContact CE2-CB 3.7Å; Y540-N547 VanDerWaalsContact OH-CB 3.27Å; Y540-N547 WeakPolarHBondContact OH-CB 3.44Å; Y540-D548 PolarHBondContact OH-OD1 3.03Å; Y540-Q551 HydrophobicContact CD2-CG 4.29Å; Y540-Q551 HydrophobicContact CE2-CG 4.1Å
541	N	92.3	Very high	95.3	Very high	86 Å²	86	39.6 Å²	39.6	46%	0.46	21%	0.211	S	C	.	.			trans	-92.3	122	-177.9	-177	-5.3	0	0	0	109.8	N539 S543 N547	N539-N541 PolarHBondContact O-N 3.1Å; N539-N541 VanDerWaalsContact O-N 3.15Å; N541-S543 VanDerWaalsContact CG-OG 3.27Å; N541-S543 PolarHBondContact ND2-OG 2.91Å; N541-S543 VanDerWaalsContact OD1-CB 3.3Å; N541-S543 WeakPolarHBondContact OD1-CB 3.35Å; N541-S543 PolarHBondContact OD1-N 3.41Å; N541-S543 PolarHBondContact OD1-OG 3.19Å; N541-N547 VanDerWaalsContact O-CB 3.32Å; N541-N547 WeakPolarHBondContact O-CB 3.19Å; N541-N547 PolarHBondContact O-OD1 2.81Å
542	V	94.1	Very high	95.3	Very high	54 Å²	54	39.7 Å²	39.7	33%	0.327	21%	0.211	S	C	.	.			trans	-98	7.5	-179	-63.3	0	0	0	0	114.8	P305 Y336 Y540 N547	P305-V542 HydrophobicContact CB-CG1 3.68Å; P305-V542 HydrophobicContact CG-CG1 4.29Å; Y336-V542 HydrophobicContact CD1-CB 4.22Å; Y336-V542 HydrophobicContact CD1-CG1 3.58Å; Y336-V542 HydrophobicContact CD2-CB 3.87Å; Y336-V542 HydrophobicContact CD2-CG1 4.17Å; Y336-V542 HydrophobicContact CE1-CB 4.46Å; Y336-V542 HydrophobicContact CE1-CG1 3.82Å; Y336-V542 HydrophobicContact CE2-CB 4.13Å; Y336-V542 HydrophobicContact CE2-CG1 4.38Å; Y336-V542 HydrophobicContact CG-CB 3.93Å; Y336-V542 HydrophobicContact CG-CG1 3.78Å; Y540-V542 HydrophobicContact CD1-CG1 4.01Å; Y540-V542 HydrophobicContact CE1-CG1 3.91Å; V542-N547 VanDerWaalsContact CA-CG 3.49Å; V542-N547 WeakPolarHBondContact CA-ND2 3.31Å; V542-N547 WeakPolarHBondContact CA-OD1 3.46Å; V542-N547 PolarHBondContact O-ND2 3.42Å
543	S	93	Very high	95.3	Very high	92 Å²	92	43.4 Å²	43.4	64%	0.643	22%	0.223	S	C	*	.			trans	-83.6	-8.8	-175.1	62.4	0	0	0	0	115.4	N541 N547	N541-S543 VanDerWaalsContact CG-OG 3.27Å; N541-S543 PolarHBondContact ND2-OG 2.91Å; N541-S543 VanDerWaalsContact OD1-CB 3.3Å; N541-S543 WeakPolarHBondContact OD1-CB 3.35Å; N541-S543 PolarHBondContact OD1-N 3.41Å; N541-S543 PolarHBondContact OD1-OG 3.19Å; S543-N547 PolarHBondContact N-OD1 2.94Å
544	R	92.8	Very high	95.2	Very high	82 Å²	82	45.4 Å²	45.4	31%	0.309	23%	0.234	S	C	.	.	S	Bend	trans	-86.9	165.1	176.6	-49.4	-64.1	-165	147.8	10.9	110.5	N547 W550 E601 I635	R544-N547 VanDerWaalsContact CA-OD1 3.25Å; R544-N547 WeakPolarHBondContact CA-OD1 3.22Å; R544-N547 WeakPolarHBondContact CB-OD1 3.47Å; R544-N547 PolarHBondContact N-OD1 2.88Å; R544-N547 PolarHBondContact O-ND2 2.97Å; R544-N547 PolarHBondContact O-OD1 2.89Å; R544-W550 HydrophobicContact CB-CE3 4.24Å; R544-W550 HydrophobicContact CB-CH2 4.39Å; R544-W550 HydrophobicContact CB-CZ3 3.87Å; R544-W550 HydrophobicContact CG-CD2 4.32Å; R544-W550 HydrophobicContact CG-CE3 3.94Å; R544-W550 HydrophobicContact CG-CH2 4.19Å; R544-W550 HydrophobicContact CG-CZ3 3.87Å; R544-E601 WeakPolarHBondContact CB-OE1 3.32Å; R544-I635 VanDerWaalsContact CZ-O 3.31Å; R544-I635 PolarHBondContact NH1-O 2.77Å; R544-I635 PolarHBondContact NH2-O 2.77Å; R544-I635 VanDerWaalsContact NH2-O 3.11Å
545	Y	93.7	Very high	95.2	Very high	116 Å²	116	45 Å²	45	46%	0.455	23%	0.232	S	C	.	.	S	Bend	trans	-69.5	-47.3	175.7	-168.1	-96.3	0	0	0	110.2	E600 E601 H604	Y545-E600 HydrophobicContact CD1-CB 3.95Å; Y545-E600 HydrophobicContact CE1-CB 3.76Å; Y545-E600 HydrophobicContact CE1-CG 4.2Å; Y545-E601 VanDerWaalsContact CA-OE1 3.29Å; Y545-E601 WeakPolarHBondContact CA-OE1 3.48Å; Y545-E601 VanDerWaalsContact CB-OE1 3.22Å; Y545-E601 WeakPolarHBondContact CB-OE1 3.5Å; Y545-E601 PolarHBondContact N-OE1 3.17Å; Y545-H604 HydrophobicContact CD2-CB 4.38Å; Y545-H604 AromaticContact CD2-CG 3.94Å; Y545-H604 AromaticContact CD2-ND1 3.79Å; Y545-H604 HydrophobicContact CG-CB 4.32Å
546	N	96.2	Very high	95.1	Very high	21 Å²	21	47.3 Å²	47.3	11%	0.112	25%	0.247	C	C	.	.	S	Bend	trans	-121.1	79.4	176.5	-72.3	-48.3	0	0	0	111	D548 L549 W550 E597 E600 E601	N546-D548 VanDerWaalsContact C-N 3.31Å; N546-D548 PolarHBondContact O-N 3.16Å; N546-L549 HydrophobicContact CB-CD1 3.85Å; N546-L549 HydrophobicContact CB-CG 4.2Å; N546-L549 WeakPolarHBondContact O-CB 3.36Å; N546-L549 PolarHBondContact O-N 3.4Å; N546-W550 WeakPolarHBondContact O-CZ3 3.31Å; N546-E597 HydrophobicContact CB-CB 3.99Å; N546-E597 HydrophobicContact CB-CG 4.22Å; N546-E597 VanDerWaalsContact ND2-CA 3.31Å; N546-E597 WeakPolarHBondContact ND2-CA 3.02Å; N546-E597 WeakPolarHBondContact ND2-CB 3.47Å; N546-E597 PolarHBondContact ND2-O 2.94Å; N546-E600 PolarHBondContact ND2-OE2 2.83Å; N546-E601 HydrophobicContact CB-CG 4.11Å; N546-E601 PolarHBondContact N-OE1 3.23Å
547	N	96.5	Very high	95.1	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33.8	-173.2	-63.2	-57.2	0	0	0	114.8	Y336 Y540 N541 V542 S543 R544 L549 W550	Y336-N547 VanDerWaalsContact CE2-ND2 3.29Å; Y336-N547 WeakPolarHBondContact CE2-ND2 3.48Å; Y336-N547 PolarHBondContact OH-ND2 3.06Å; Y540-N547 HydrophobicContact CE2-CB 3.7Å; Y540-N547 VanDerWaalsContact OH-CB 3.27Å; Y540-N547 WeakPolarHBondContact OH-CB 3.44Å; N541-N547 VanDerWaalsContact O-CB 3.32Å; N541-N547 WeakPolarHBondContact O-CB 3.19Å; N541-N547 PolarHBondContact O-OD1 2.81Å; V542-N547 VanDerWaalsContact CA-CG 3.49Å; V542-N547 WeakPolarHBondContact CA-ND2 3.31Å; V542-N547 WeakPolarHBondContact CA-OD1 3.46Å; V542-N547 PolarHBondContact O-ND2 3.42Å; S543-N547 PolarHBondContact N-OD1 2.94Å; R544-N547 VanDerWaalsContact CA-OD1 3.25Å; R544-N547 WeakPolarHBondContact CA-OD1 3.22Å; R544-N547 WeakPolarHBondContact CB-OD1 3.47Å; R544-N547 PolarHBondContact N-OD1 2.88Å; R544-N547 PolarHBondContact O-ND2 2.97Å; R544-N547 PolarHBondContact O-OD1 2.89Å; N547-L549 PolarHBondContact O-N 3.29Å; N547-W550 PolarHBondContact O-N 2.85Å
548	D	97.8	Very high	95.2	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.059	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.4	-23.7	-178.8	-76.7	-19.2	0	0	0	112.8	P307 F308 Y540 N546 W550 Q551 K562 Y563	P307-D548 WeakPolarHBondContact CA-OD1 3.39Å; F308-D548 HydrophobicContact CD1-CB 4.03Å; F308-D548 HydrophobicContact CE1-CB 3.81Å; F308-D548 PolarHBondContact N-OD1 3.24Å; F308-D548 PolarHBondContact N-OD2 3.4Å; Y540-D548 PolarHBondContact OH-OD1 3.03Å; N546-D548 VanDerWaalsContact C-N 3.31Å; N546-D548 PolarHBondContact O-N 3.16Å; D548-W550 PolarHBondContact O-N 2.87Å; D548-W550 VanDerWaalsContact O-N 3.17Å; D548-Q551 VanDerWaalsContact O-CB 3.27Å; D548-Q551 WeakPolarHBondContact O-CB 3.34Å; D548-Q551 PolarHBondContact O-N 3.35Å; D548-K562 VanDerWaalsContact CB-NZ 3.35Å; D548-K562 IonicContact OD2-NZ 3.29Å; D548-K562 PolarHBondContact OD2-NZ 2.87Å; D548-Y563 VanDerWaalsContact C-OH 3.31Å; D548-Y563 HydrophobicContact CB-CE2 4.19Å; D548-Y563 WeakPolarHBondContact CB-OH 3.47Å; D548-Y563 WeakPolarHBondContact O-CE2 3.43Å
549	L	98	Very high	95.6	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33.2	176.5	-75.6	172.5	0	0	0	111.9	N546 N547 Q551 W559 Y563 E597 I598 E601 F637	N546-L549 HydrophobicContact CB-CD1 3.85Å; N546-L549 HydrophobicContact CB-CG 4.2Å; N546-L549 WeakPolarHBondContact O-CB 3.36Å; N546-L549 PolarHBondContact O-N 3.4Å; N547-L549 PolarHBondContact O-N 3.29Å; L549-Q551 VanDerWaalsContact C-N 3.27Å; L549-Q551 PolarHBondContact O-N 2.94Å; L549-W559 PolarHBondContact O-NE1 3.16Å; L549-Y563 HydrophobicContact CD2-CD1 4.16Å; L549-Y563 HydrophobicContact CD2-CE1 3.72Å; L549-Y563 HydrophobicContact CD2-CE2 4.33Å; L549-Y563 HydrophobicContact CG-CE1 4.44Å; L549-Y563 PolarHBondContact N-OH 3.26Å; L549-E597 HydrophobicContact CD1-CB 4.03Å; L549-E597 HydrophobicContact CD2-CB 4.26Å; L549-E597 HydrophobicContact CG-CB 4.23Å; L549-I598 HydrophobicContact CD1-CG1 4.35Å; L549-I598 HydrophobicContact CD2-CG1 4.12Å; L549-E601 HydrophobicContact CD1-CG 3.91Å; L549-F637 HydrophobicContact CB-CE2 3.96Å; L549-F637 HydrophobicContact CB-CZ 4.17Å; L549-F637 WeakPolarHBondContact O-CE2 3.44Å
550	W	97.9	Very high	96.1	Very high	34 Å²	34	42.9 Å²	42.9	13%	0.129	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-81.9	2.9	-179.9	-78.2	-97.5	0	0	0	114.2	R544 N546 N547 D548 I552 E601 G636 F637 E640	R544-W550 HydrophobicContact CB-CE3 4.24Å; R544-W550 HydrophobicContact CB-CH2 4.39Å; R544-W550 HydrophobicContact CB-CZ3 3.87Å; R544-W550 HydrophobicContact CG-CD2 4.32Å; R544-W550 HydrophobicContact CG-CE3 3.94Å; R544-W550 HydrophobicContact CG-CH2 4.19Å; R544-W550 HydrophobicContact CG-CZ3 3.87Å; N546-W550 WeakPolarHBondContact O-CZ3 3.31Å; N547-W550 PolarHBondContact O-N 2.85Å; D548-W550 PolarHBondContact O-N 2.87Å; D548-W550 VanDerWaalsContact O-N 3.17Å; W550-I552 VanDerWaalsContact C-N 3.33Å; W550-I552 PolarHBondContact O-N 2.95Å; W550-E601 HydrophobicContact CH2-CG 4.18Å; W550-E601 HydrophobicContact CZ3-CG 4.18Å; W550-G636 PolarHBondContact NE1-O 2.85Å; W550-F637 AromaticContact CD2-CD2 3.96Å; W550-F637 HydrophobicContact CD2-CD2 3.96Å; W550-F637 HydrophobicContact CD2-CE2 4.36Å; W550-F637 AromaticContact CE2-CD2 3.58Å; W550-F637 HydrophobicContact CG-CD2 4.31Å; W550-F637 HydrophobicContact CH2-CD2 4.45Å; W550-F637 HydrophobicContact CZ2-CB 3.9Å; W550-F637 AromaticContact CZ2-CD2 3.86Å; W550-F637 HydrophobicContact CZ2-CD2 3.86Å; W550-F637 HydrophobicContact CZ2-CG 4.2Å; W550-F637 AromaticContact NE1-CD2 3.7Å; W550-E640 VanDerWaalsContact CD1-CD 3.4Å; W550-E640 HydrophobicContact CG-CG 4.32Å
551	Q	97.6	Very high	96.1	Very high	11 Å²	11	47.2 Å²	47.2	5%	0.051	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-87.2	5.7	-174.3	-66.4	-64.3	-61	0	0	115	P307 F308 Y540 D548 L549 F553 E554 N555	P307-Q551 HydrophobicContact CB-CG 4.05Å; P307-Q551 HydrophobicContact CG-CG 4.18Å; F308-Q551 HydrophobicContact CE2-CB 3.93Å; F308-Q551 HydrophobicContact CE2-CG 4.36Å; F308-Q551 HydrophobicContact CZ-CB 3.56Å; F308-Q551 HydrophobicContact CZ-CG 4.21Å; Y540-Q551 HydrophobicContact CD2-CG 4.29Å; Y540-Q551 HydrophobicContact CE2-CG 4.1Å; D548-Q551 VanDerWaalsContact O-CB 3.27Å; D548-Q551 WeakPolarHBondContact O-CB 3.34Å; D548-Q551 PolarHBondContact O-N 3.35Å; L549-Q551 VanDerWaalsContact C-N 3.27Å; L549-Q551 PolarHBondContact O-N 2.94Å; Q551-F553 PolarHBondContact O-N 2.73Å; Q551-F553 VanDerWaalsContact O-N 3.11Å; Q551-E554 PolarHBondContact O-N 2.86Å; Q551-N555 HydrophobicContact CB-CB 4.47Å; Q551-N555 CarbonylContact O-C 3.48Å; Q551-N555 PolarHBondContact O-N 2.93Å; Q551-N555 PolarHBondContact OE1-ND2 3.33Å
552	I	97.3	Very high	96.4	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-56.6	-30.6	-177	-164	176.2	0	0	0	113.4	W550 P556 W559 E640 H643 F644 F648	W550-I552 VanDerWaalsContact C-N 3.33Å; W550-I552 PolarHBondContact O-N 2.95Å; I552-P556 WeakPolarHBondContact O-CA 3.5Å; I552-P556 WeakPolarHBondContact O-CB 3.36Å; I552-W559 HydrophobicContact CB-CD2 3.71Å; I552-W559 HydrophobicContact CB-CE3 4.28Å; I552-W559 HydrophobicContact CB-CG 3.84Å; I552-W559 HydrophobicContact CB-CZ2 4.33Å; I552-W559 HydrophobicContact CD1-CD2 4.15Å; I552-W559 HydrophobicContact CD1-CE3 3.92Å; I552-W559 HydrophobicContact CD1-CH2 3.77Å; I552-W559 HydrophobicContact CD1-CZ2 3.98Å; I552-W559 HydrophobicContact CD1-CZ3 3.72Å; I552-W559 HydrophobicContact CG1-CD2 3.65Å; I552-W559 HydrophobicContact CG1-CE3 3.68Å; I552-W559 HydrophobicContact CG1-CG 4.15Å; I552-W559 HydrophobicContact CG1-CH2 4.37Å; I552-W559 HydrophobicContact CG1-CZ2 4.33Å; I552-W559 HydrophobicContact CG1-CZ3 4.05Å; I552-E640 HydrophobicContact CG2-CB 3.88Å; I552-E640 HydrophobicContact CG2-CG 3.93Å; I552-H643 HydrophobicContact CD1-CB 4.42Å; I552-F644 HydrophobicContact CD1-CB 4.05Å; I552-F648 HydrophobicContact CD1-CE2 4.48Å
553	F	95.6	Very high	96.6	Very high	94 Å²	94	41.5 Å²	41.5	41%	0.412	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-44.9	-179.8	-63.1	-68.5	0	0	0	113.7	Q551 K639 E640 H643	Q551-F553 PolarHBondContact O-N 2.73Å; Q551-F553 VanDerWaalsContact O-N 3.11Å; F553-K639 HydrophobicContact CE2-CB 4.38Å; F553-K639 HydrophobicContact CZ-CB 4.46Å; F553-K639 WeakPolarHBondContact CZ-O 3.37Å; F553-E640 HydrophobicContact CD2-CG 4.38Å; F553-E640 HydrophobicContact CE2-CB 4.45Å; F553-E640 HydrophobicContact CE2-CG 3.92Å; F553-H643 AromaticContact CD1-CD2 3.54Å; F553-H643 AromaticContact CD1-NE2 3.9Å; F553-H643 HydrophobicContact CE1-CB 3.5Å; F553-H643 AromaticContact CE1-CD2 3.32Å; F553-H643 WeakPolarHBondContact CE1-CD2 3.38Å; F553-H643 AromaticContact CE1-CG 3.35Å; F553-H643 AromaticContact CE1-NE2 3.98Å; F553-H643 HydrophobicContact CZ-CB 3.53Å; F553-H643 AromaticContact CZ-CG 3.92Å
554	E	95.6	Very high	96.9	Very high	75 Å²	75	37.5 Å²	37.5	35%	0.35	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-34.2	-174.1	-73.1	-59.8	147.8	0	0	112.2	R418 S536 Q551	R418-E554 IonicContact NH2-OE2 3.14Å; R418-E554 PolarHBondContact NH2-OE2 2.77Å; S536-E554 PolarHBondContact OG-OE2 2.88Å; Q551-E554 PolarHBondContact O-N 2.86Å
555	N	97.4	Very high	97.1	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	17%	0.167	C	C	.	.	S	Bend	trans	-136.1	59.5	-174	-65.2	-56.8	0	0	0	111.7	F308 I535 S536 Q551 A557 D558 W559	F308-N555 HydrophobicContact CE2-CB 3.68Å; F308-N555 HydrophobicContact CZ-CB 4.44Å; I535-N555 WeakPolarHBondContact CA-OD1 3.38Å; I535-N555 WeakPolarHBondContact CB-OD1 3.3Å; S536-N555 PolarHBondContact N-OD1 3.27Å; S536-N555 PolarHBondContact O-ND2 3.45Å; Q551-N555 HydrophobicContact CB-CB 4.47Å; Q551-N555 CarbonylContact O-C 3.48Å; Q551-N555 PolarHBondContact O-N 2.93Å; Q551-N555 PolarHBondContact OE1-ND2 3.33Å; N555-A557 VanDerWaalsContact C-N 3.3Å; N555-A557 PolarHBondContact O-N 3.16Å; N555-D558 HydrophobicContact CB-CB 4.48Å; N555-D558 PolarHBondContact O-N 3.16Å; N555-W559 VanDerWaalsContact O-CB 3.31Å; N555-W559 WeakPolarHBondContact O-CB 3.45Å; N555-W559 PolarHBondContact O-N 2.95Å
556	P	96.8	Very high	97.2	Very high	53 Å²	53	34.8 Å²	34.8	34%	0.344	18%	0.177	S	C	.	.	H	α-helix	trans	-62	-33.4	-171.5	22.5	-34	0	0	0	113.9	I552 K560	I552-P556 WeakPolarHBondContact O-CA 3.5Å; I552-P556 WeakPolarHBondContact O-CB 3.36Å; P556-K560 WeakPolarHBondContact O-CB 3.37Å; P556-K560 PolarHBondContact O-N 3.39Å
557	A	96.3	Very high	97.2	Very high	24 Å²	24	36.4 Å²	36.4	20%	0.198	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-48	-179.3	0	0	0	0	0	111.6	N555 K560 E561	N555-A557 VanDerWaalsContact C-N 3.3Å; N555-A557 PolarHBondContact O-N 3.16Å; A557-K560 PolarHBondContact O-N 3.15Å; A557-E561 PolarHBondContact O-N 2.77Å
558	D	97.6	Very high	97.2	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.053	19%	0.188	C	C	.	.	H	α-helix	trans	-70	-40.4	179	-58.7	-86	0	0	0	111.4	F308 M394 R533 I535 N555 K560 E561 K562	F308-D558 HydrophobicContact CD2-CB 3.66Å; F308-D558 HydrophobicContact CE2-CB 3.57Å; F308-D558 HydrophobicContact CG-CB 4.28Å; F308-D558 HydrophobicContact CZ-CB 4.09Å; M394-D558 WeakPolarHBondContact CG-OD1 3.24Å; R533-D558 IonicContact CZ-OD1 3.65Å; R533-D558 IonicContact CZ-OD2 3.96Å; R533-D558 VanDerWaalsContact NE-CG 3.3Å; R533-D558 IonicContact NE-OD1 2.71Å; R533-D558 PolarHBondContact NE-OD1 3.15Å; R533-D558 IonicContact NE-OD2 3.85Å; R533-D558 PolarHBondContact NE-OD2 3.25Å; R533-D558 VanDerWaalsContact NH2-CG 3.35Å; R533-D558 IonicContact NH2-OD1 2.66Å; R533-D558 PolarHBondContact NH2-OD1 2.97Å; R533-D558 IonicContact NH2-OD2 3.39Å; I535-D558 HydrophobicContact CG2-CB 4.42Å; I535-D558 WeakPolarHBondContact CG2-OD2 3.48Å; N555-D558 HydrophobicContact CB-CB 4.48Å; N555-D558 PolarHBondContact O-N 3.16Å; D558-K560 VanDerWaalsContact C-N 3.33Å; D558-K560 PolarHBondContact O-N 3.48Å; D558-E561 PolarHBondContact O-N 3.39Å; D558-K562 PolarHBondContact O-N 2.73Å
559	W	98.2	Very high	97.1	Very high	9 Å²	9	39.6 Å²	39.6	3%	0.034	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-45.5	173.1	-170	96.2	0	0	0	111.3	F308 L549 I552 N555 E561 K562 Y563 I564 F644 F648	F308-W559 HydrophobicContact CZ-CB 4.1Å; L549-W559 PolarHBondContact O-NE1 3.16Å; I552-W559 HydrophobicContact CB-CD2 3.71Å; I552-W559 HydrophobicContact CB-CE3 4.28Å; I552-W559 HydrophobicContact CB-CG 3.84Å; I552-W559 HydrophobicContact CB-CZ2 4.33Å; I552-W559 HydrophobicContact CD1-CD2 4.15Å; I552-W559 HydrophobicContact CD1-CE3 3.92Å; I552-W559 HydrophobicContact CD1-CH2 3.77Å; I552-W559 HydrophobicContact CD1-CZ2 3.98Å; I552-W559 HydrophobicContact CD1-CZ3 3.72Å; I552-W559 HydrophobicContact CG1-CD2 3.65Å; I552-W559 HydrophobicContact CG1-CE3 3.68Å; I552-W559 HydrophobicContact CG1-CG 4.15Å; I552-W559 HydrophobicContact CG1-CH2 4.37Å; I552-W559 HydrophobicContact CG1-CZ2 4.33Å; I552-W559 HydrophobicContact CG1-CZ3 4.05Å; N555-W559 VanDerWaalsContact O-CB 3.31Å; N555-W559 WeakPolarHBondContact O-CB 3.45Å; N555-W559 PolarHBondContact O-N 2.95Å; W559-E561 PolarHBondContact O-N 3.09Å; W559-K562 PolarHBondContact O-N 3.32Å; W559-Y563 HydrophobicContact CB-CD2 4.48Å; W559-Y563 AromaticContact CD1-CD2 3.4Å; W559-Y563 AromaticContact CD1-CE2 3.6Å; W559-Y563 AromaticContact CD2-CD2 3.7Å; W559-Y563 HydrophobicContact CD2-CD2 3.7Å; W559-Y563 HydrophobicContact CD2-CG 4.42Å; W559-Y563 AromaticContact CE2-CD2 3.48Å; W559-Y563 VanDerWaalsContact CE2-CD2 3.48Å; W559-Y563 AromaticContact CG-CD2 3.66Å; W559-Y563 HydrophobicContact CG-CD2 3.66Å; W559-Y563 HydrophobicContact CG-CE2 4.24Å; W559-Y563 HydrophobicContact CZ2-CD2 4.15Å; W559-Y563 HydrophobicContact CZ2-CG 4.35Å; W559-Y563 AromaticContact NE1-CD2 3.31Å; W559-Y563 VanDerWaalsContact NE1-CD2 3.31Å; W559-Y563 AromaticContact NE1-CE2 3.62Å; W559-Y563 WeakPolarHBondContact O-CB 3.31Å; W559-Y563 WeakPolarHBondContact O-CD2 3.26Å; W559-Y563 PolarHBondContact O-N 3.2Å; W559-I564 HydrophobicContact CE3-CG1 4.45Å; W559-I564 HydrophobicContact CH2-CD1 4.33Å; W559-I564 HydrophobicContact CZ3-CD1 3.78Å; W559-I564 HydrophobicContact CZ3-CG1 3.87Å; W559-F644 HydrophobicContact CH2-CB 4.5Å; W559-F644 HydrophobicContact CH2-CD2 4.02Å; W559-F644 HydrophobicContact CZ3-CD2 4.46Å; W559-F648 HydrophobicContact CE3-CE2 4.38Å; W559-F648 HydrophobicContact CZ3-CD2 4.44Å; W559-F648 AromaticContact CZ3-CE2 3.79Å; W559-F648 HydrophobicContact CZ3-CE2 3.79Å; W559-F648 HydrophobicContact CZ3-CZ 4.39Å
560	K	97.9	Very high	96.9	Very high	91 Å²	91	41.7 Å²	41.7	40%	0.396	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-45.4	176.2	178.1	-179.4	176.5	-179.4	0	111.5	P556 A557 D558 K562 I564 F648	P556-K560 WeakPolarHBondContact O-CB 3.37Å; P556-K560 PolarHBondContact O-N 3.39Å; A557-K560 PolarHBondContact O-N 3.15Å; D558-K560 VanDerWaalsContact C-N 3.33Å; D558-K560 PolarHBondContact O-N 3.48Å; K560-K562 VanDerWaalsContact C-N 3.29Å; K560-K562 PolarHBondContact O-N 2.79Å; K560-I564 HydrophobicContact CB-CG1 4.42Å; K560-I564 HydrophobicContact CG-CB 4.02Å; K560-I564 HydrophobicContact CG-CG1 4Å; K560-I564 VanDerWaalsContact O-CB 3.31Å; K560-I564 WeakPolarHBondContact O-CB 3.12Å; K560-I564 PolarHBondContact O-N 3.35Å; K560-F648 HydrophobicContact CB-CZ 4.31Å; K560-F648 HydrophobicContact CD-CE1 4.09Å; K560-F648 HydrophobicContact CD-CZ 4.3Å; K560-F648 HydrophobicContact CG-CE1 4.11Å; K560-F648 HydrophobicContact CG-CZ 4.14Å
561	E	96.6	Very high	96.7	Very high	112 Å²	112	40.1 Å²	40.1	52%	0.523	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-36.8	-179.7	-168.1	173.9	164.5	0	0	112.1	R315 R533 A557 D558 W559	R315-E561 IonicContact CZ-OE1 3.35Å; R315-E561 IonicContact CZ-OE2 2.89Å; R315-E561 IonicContact NH1-OE1 3.36Å; R315-E561 IonicContact NH2-OE1 2.77Å; R315-E561 PolarHBondContact NH2-OE1 2.82Å; R315-E561 IonicContact NH2-OE2 3.93Å; R315-E561 PolarHBondContact NH2-OE2 3.47Å; R533-E561 IonicContact CZ-OE2 3.82Å; R533-E561 IonicContact NH1-OE2 2.79Å; R533-E561 IonicContact NH2-OE2 3.17Å; R533-E561 PolarHBondContact NH2-OE2 3.4Å; A557-E561 PolarHBondContact O-N 2.77Å; D558-E561 PolarHBondContact O-N 3.39Å; W559-E561 PolarHBondContact O-N 3.09Å
562	K	97.8	Very high	96.5	Very high	21 Å²	21	43.3 Å²	43.3	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-77.9	-44.1	177.8	-173.1	175.1	-178.1	-165	0	113.3	F308 E311 D548 D558 W559 K560 S591 E597	F308-K562 HydrophobicContact CD1-CD 3.67Å; F308-K562 HydrophobicContact CE1-CB 4.44Å; F308-K562 HydrophobicContact CE1-CD 3.87Å; E311-K562 WeakPolarHBondContact OE1-CD 3.35Å; E311-K562 WeakPolarHBondContact OE1-CE 3.44Å; E311-K562 IonicContact OE1-NZ 3.68Å; D548-K562 VanDerWaalsContact CB-NZ 3.35Å; D548-K562 IonicContact OD2-NZ 3.29Å; D548-K562 PolarHBondContact OD2-NZ 2.87Å; D558-K562 PolarHBondContact O-N 2.73Å; W559-K562 PolarHBondContact O-N 3.32Å; K560-K562 VanDerWaalsContact C-N 3.29Å; K560-K562 PolarHBondContact O-N 2.79Å; K562-S591 WeakPolarHBondContact O-CB 3.12Å; K562-S591 PolarHBondContact O-OG 3.07Å; K562-E597 IonicContact NZ-OE1 2.57Å; K562-E597 PolarHBondContact NZ-OE1 3.29Å; K562-E597 IonicContact NZ-OE2 3.27Å
563	Y	98.6	Very high	96.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-110.5	-17.5	-162.6	-63.7	-57.4	0	0	0	115.9	F308 D548 L549 W559 L590 S591 A594 E597	F308-Y563 HydrophobicContact CE1-CE2 4.16Å; D548-Y563 VanDerWaalsContact C-OH 3.31Å; D548-Y563 HydrophobicContact CB-CE2 4.19Å; D548-Y563 WeakPolarHBondContact CB-OH 3.47Å; D548-Y563 WeakPolarHBondContact O-CE2 3.43Å; L549-Y563 HydrophobicContact CD2-CD1 4.16Å; L549-Y563 HydrophobicContact CD2-CE1 3.72Å; L549-Y563 HydrophobicContact CD2-CE2 4.33Å; L549-Y563 HydrophobicContact CG-CE1 4.44Å; L549-Y563 PolarHBondContact N-OH 3.26Å; W559-Y563 HydrophobicContact CB-CD2 4.48Å; W559-Y563 AromaticContact CD1-CD2 3.4Å; W559-Y563 AromaticContact CD1-CE2 3.6Å; W559-Y563 AromaticContact CD2-CD2 3.7Å; W559-Y563 HydrophobicContact CD2-CD2 3.7Å; W559-Y563 HydrophobicContact CD2-CG 4.42Å; W559-Y563 AromaticContact CE2-CD2 3.48Å; W559-Y563 VanDerWaalsContact CE2-CD2 3.48Å; W559-Y563 AromaticContact CG-CD2 3.66Å; W559-Y563 HydrophobicContact CG-CD2 3.66Å; W559-Y563 HydrophobicContact CG-CE2 4.24Å; W559-Y563 HydrophobicContact CZ2-CD2 4.15Å; W559-Y563 HydrophobicContact CZ2-CG 4.35Å; W559-Y563 AromaticContact NE1-CD2 3.31Å; W559-Y563 VanDerWaalsContact NE1-CD2 3.31Å; W559-Y563 AromaticContact NE1-CE2 3.62Å; W559-Y563 WeakPolarHBondContact O-CB 3.31Å; W559-Y563 WeakPolarHBondContact O-CD2 3.26Å; W559-Y563 PolarHBondContact O-N 3.2Å; Y563-L590 WeakPolarHBondContact O-CA 3.49Å; Y563-S591 WeakPolarHBondContact CA-OG 3.4Å; Y563-S591 PolarHBondContact O-N 3.14Å; Y563-A594 HydrophobicContact CD1-CB 3.64Å; Y563-A594 HydrophobicContact CG-CB 4.21Å; Y563-A594 WeakPolarHBondContact O-CB 3.4Å; Y563-E597 WeakPolarHBondContact CE1-OE2 3.41Å; Y563-E597 VanDerWaalsContact CZ-OE2 3.27Å; Y563-E597 PolarHBondContact OH-OE2 3.11Å
564	I	98.4	Very high	95.9	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.041	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-91.7	140.5	176	-62.6	-61.6	0	0	0	109.7	W559 K560 Y568 V589 L590 F644 F648	W559-I564 HydrophobicContact CE3-CG1 4.45Å; W559-I564 HydrophobicContact CH2-CD1 4.33Å; W559-I564 HydrophobicContact CZ3-CD1 3.78Å; W559-I564 HydrophobicContact CZ3-CG1 3.87Å; K560-I564 HydrophobicContact CB-CG1 4.42Å; K560-I564 HydrophobicContact CG-CB 4.02Å; K560-I564 HydrophobicContact CG-CG1 4Å; K560-I564 VanDerWaalsContact O-CB 3.31Å; K560-I564 WeakPolarHBondContact O-CB 3.12Å; K560-I564 PolarHBondContact O-N 3.35Å; I564-Y568 HydrophobicContact CG2-CD1 3.95Å; I564-Y568 HydrophobicContact CG2-CD2 4.45Å; I564-Y568 HydrophobicContact CG2-CG 3.72Å; I564-V589 WeakPolarHBondContact CA-O 3.49Å; I564-L590 HydrophobicContact CD1-CD2 4.43Å; I564-F644 HydrophobicContact CD1-CD2 4.04Å; I564-F644 HydrophobicContact CD1-CE2 3.8Å; I564-F648 HydrophobicContact CB-CE1 4.49Å; I564-F648 HydrophobicContact CD1-CB 4.39Å; I564-F648 HydrophobicContact CD1-CD1 3.8Å; I564-F648 HydrophobicContact CD1-CD2 3.73Å; I564-F648 HydrophobicContact CD1-CE1 3.96Å; I564-F648 HydrophobicContact CD1-CE2 3.87Å; I564-F648 HydrophobicContact CD1-CG 3.69Å; I564-F648 HydrophobicContact CD1-CZ 3.99Å; I564-F648 HydrophobicContact CG1-CD1 3.96Å; I564-F648 HydrophobicContact CG1-CD2 4.32Å; I564-F648 HydrophobicContact CG1-CE1 3.62Å; I564-F648 HydrophobicContact CG1-CE2 3.99Å; I564-F648 HydrophobicContact CG1-CG 4.3Å; I564-F648 HydrophobicContact CG1-CZ 3.63Å; I564-F648 HydrophobicContact CG2-CD1 4.32Å; I564-F648 HydrophobicContact CG2-CE1 4.32Å
565	H	97.9	Very high	95.4	Very high	36 Å²	36	51.6 Å²	51.6	17%	0.167	27%	0.273	C	S	.	.			trans	-57.9	132	-179.9	-168.2	-79.6	0	0	0	110.2	N567 Y568 P588 V589 L590	H565-N567 PolarHBondContact ND1-N 3.29Å; H565-N567 VanDerWaalsContact ND1-N 3.11Å; H565-N567 PolarHBondContact O-N 3.36Å; H565-N567 VanDerWaalsContact O-N 3.09Å; H565-Y568 WeakPolarHBondContact O-CB 3.2Å; H565-Y568 PolarHBondContact O-N 2.76Å; H565-P588 HydrophobicContact CB-CB 3.99Å; H565-P588 WeakPolarHBondContact ND1-CB 3.33Å; H565-V589 PolarHBondContact N-O 2.87Å; H565-L590 PolarHBondContact CD2-O 2.9Å
566	P	95.8	Very high	94.8	Very high	104 Å²	104	54 Å²	54	68%	0.675	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-53.9	-35.9	-177.3	-29.2	35.1	0	0	0	113.8	Y568	P566-Y568 VanDerWaalsContact C-N 3.34Å; P566-Y568 PolarHBondContact O-N 3.09Å
567	N	95.8	Very high	94.5	Very high	55 Å²	55	53.6 Å²	53.6	29%	0.294	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-84.4	2.8	178.9	-58.8	-5.5	0	0	0	114.8	H565 T569 Q570 Q576 P588	H565-N567 PolarHBondContact ND1-N 3.29Å; H565-N567 VanDerWaalsContact ND1-N 3.11Å; H565-N567 PolarHBondContact O-N 3.36Å; H565-N567 VanDerWaalsContact O-N 3.09Å; N567-T569 PolarHBondContact O-N 3.09Å; N567-Q570 HydrophobicContact CB-CG 4.48Å; N567-Q570 VanDerWaalsContact O-CB 3.29Å; N567-Q570 WeakPolarHBondContact O-CB 3.2Å; N567-Q570 PolarHBondContact O-N 3.43Å; N567-Q576 VanDerWaalsContact CB-OE1 3.28Å; N567-Q576 PolarHBondContact O-OE1 2.97Å; N567-P588 HydrophobicContact CB-CG 4.36Å
568	Y	96.8	Very high	94.4	Very high	13 Å²	13	56.4 Å²	56.4	5%	0.051	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-55.2	-38	-179	169.3	-95.8	0	0	0	112.5	I564 H565 P566 Q570 I571 F572 V589 F648 V652	I564-Y568 HydrophobicContact CG2-CD1 3.95Å; I564-Y568 HydrophobicContact CG2-CD2 4.45Å; I564-Y568 HydrophobicContact CG2-CG 3.72Å; H565-Y568 WeakPolarHBondContact O-CB 3.2Å; H565-Y568 PolarHBondContact O-N 2.76Å; P566-Y568 VanDerWaalsContact C-N 3.34Å; P566-Y568 PolarHBondContact O-N 3.09Å; Y568-Q570 VanDerWaalsContact C-N 3.26Å; Y568-Q570 PolarHBondContact O-N 3.43Å; Y568-I571 HydrophobicContact CD2-CD1 3.74Å; Y568-I571 HydrophobicContact CE2-CD1 4.08Å; Y568-I571 HydrophobicContact CG-CD1 4.45Å; Y568-I571 WeakPolarHBondContact O-CB 3.34Å; Y568-I571 WeakPolarHBondContact O-CD1 3.15Å; Y568-I571 VanDerWaalsContact O-CG1 3.25Å; Y568-I571 WeakPolarHBondContact O-CG1 2.91Å; Y568-I571 PolarHBondContact O-N 3.08Å; Y568-F572 AromaticContact CE1-CE2 3.83Å; Y568-F572 HydrophobicContact CE1-CE2 3.83Å; Y568-F572 HydrophobicContact CE2-CE2 4.32Å; Y568-F572 AromaticContact CZ-CE2 3.66Å; Y568-V589 HydrophobicContact CD2-CG2 4.25Å; Y568-V589 HydrophobicContact CE2-CG2 4.34Å; Y568-F648 HydrophobicContact CD1-CD1 4.32Å; Y568-F648 AromaticContact CE1-CD1 3.79Å; Y568-F648 HydrophobicContact CE1-CD1 3.79Å; Y568-F648 HydrophobicContact CE1-CE1 4.48Å; Y568-F648 HydrophobicContact CE2-CB 4.26Å; Y568-F648 HydrophobicContact CE2-CD1 4.49Å; Y568-F648 VanDerWaalsContact CE2-O 3.31Å; Y568-F648 WeakPolarHBondContact CE2-O 3.26Å; Y568-F648 AromaticContact CZ-CD1 3.9Å; Y568-F648 WeakPolarHBondContact OH-CA 3.43Å; Y568-F648 PolarHBondContact OH-O 2.91Å; Y568-V652 HydrophobicContact CE2-CG2 3.92Å
569	T	94.4	Very high	94.3	Very high	69 Å²	69	61 Å²	61	42%	0.423	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-67.2	-26	178.9	49.4	0	0	0	0	113.2	N567 I571 F572 T573	N567-T569 PolarHBondContact O-N 3.09Å; T569-I571 PolarHBondContact O-N 3.42Å; T569-F572 PolarHBondContact O-N 3.46Å; T569-T573 PolarHBondContact O-N 3.3Å; T569-T573 PolarHBondContact O-OG1 2.82Å
570	Q	94.4	Very high	94.1	Very high	47 Å²	47	63 Å²	63	22%	0.22	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-19.1	178.2	-64.1	177	-13	0	0	112.5	N567 Y568 F572 T573 E574 N575 Q576	N567-Q570 HydrophobicContact CB-CG 4.48Å; N567-Q570 VanDerWaalsContact O-CB 3.29Å; N567-Q570 WeakPolarHBondContact O-CB 3.2Å; N567-Q570 PolarHBondContact O-N 3.43Å; Y568-Q570 VanDerWaalsContact C-N 3.26Å; Y568-Q570 PolarHBondContact O-N 3.43Å; Q570-F572 PolarHBondContact O-N 3.22Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.49Å; Q570-E574 HydrophobicContact CB-CB 4.31Å; Q570-E574 CarbonylContact O-C 3.54Å; Q570-E574 WeakPolarHBondContact O-CA 3.16Å; Q570-E574 PolarHBondContact O-N 2.8Å; Q570-N575 PolarHBondContact O-N 3.08Å; Q570-N575 VanDerWaalsContact O-N 3.13Å; Q570-Q576 HydrophobicContact CB-CB 3.99Å; Q570-Q576 PolarHBondContact O-N 2.92Å; Q570-Q576 VanDerWaalsContact OE1-OE1 3.08Å
571	I	93.8	Very high	94	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56.7	-41.3	169.8	-60.2	167.5	0	0	0	110.3	Y568 T569 F587 V652 K655	Y568-I571 HydrophobicContact CD2-CD1 3.74Å; Y568-I571 HydrophobicContact CE2-CD1 4.08Å; Y568-I571 HydrophobicContact CG-CD1 4.45Å; Y568-I571 WeakPolarHBondContact O-CB 3.34Å; Y568-I571 WeakPolarHBondContact O-CD1 3.15Å; Y568-I571 VanDerWaalsContact O-CG1 3.25Å; Y568-I571 WeakPolarHBondContact O-CG1 2.91Å; Y568-I571 PolarHBondContact O-N 3.08Å; T569-I571 PolarHBondContact O-N 3.42Å; I571-F587 HydrophobicContact CD1-CB 3.72Å; I571-F587 HydrophobicContact CD1-CD2 3.7Å; I571-F587 HydrophobicContact CD1-CG 4.05Å; I571-F587 HydrophobicContact CG1-CB 4.17Å; I571-V652 HydrophobicContact CD1-CG2 4.24Å; I571-V652 HydrophobicContact CG2-CG1 4.44Å; I571-V652 HydrophobicContact CG2-CG2 4.46Å; I571-K655 HydrophobicContact CG2-CD 4.04Å; I571-K655 WeakPolarHBondContact O-CE 3.37Å; I571-K655 PolarHBondContact O-NZ 3.15Å
572	F	93.3	Very high	94	Very high	78 Å²	78	56.5 Å²	56.5	34%	0.342	30%	0.3	S	S	.	.	H	α-helix	trans	-88.6	-33.8	-174.9	-57.5	-77.1	0	0	0	112.8	Y568 T569 Q570 P651 V652 K655	Y568-F572 AromaticContact CE1-CE2 3.83Å; Y568-F572 HydrophobicContact CE1-CE2 3.83Å; Y568-F572 HydrophobicContact CE2-CE2 4.32Å; Y568-F572 AromaticContact CZ-CE2 3.66Å; T569-F572 PolarHBondContact O-N 3.46Å; Q570-F572 PolarHBondContact O-N 3.22Å; F572-P651 HydrophobicContact CE1-CB 4.07Å; F572-P651 HydrophobicContact CZ-CB 3.8Å; F572-V652 HydrophobicContact CE2-CG2 4.35Å; F572-V652 HydrophobicContact CZ-CG2 3.7Å; F572-K655 HydrophobicContact CD1-CD 4.12Å; F572-K655 HydrophobicContact CE1-CB 4.45Å; F572-K655 HydrophobicContact CE1-CD 4.32Å
573	T	91.7	Very high	93.9	Very high	106 Å²	106	59.1 Å²	59.1	65%	0.65	32%	0.315	S	S	*	.	H	α-helix	trans	-92.3	-37.7	-176	55.6	0	0	0	0	113.8	T569 Q570	T569-T573 PolarHBondContact O-N 3.3Å; T569-T573 PolarHBondContact O-OG1 2.82Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.49Å
574	E	89.6	Confident	93.8	Very high	129 Å²	129	59.1 Å²	59.1	60%	0.603	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	2.9	-171.1	-65.2	173.6	-148.8	0	0	112.9	Q570 Q576	Q570-E574 HydrophobicContact CB-CB 4.31Å; Q570-E574 CarbonylContact O-C 3.54Å; Q570-E574 WeakPolarHBondContact O-CA 3.16Å; Q570-E574 PolarHBondContact O-N 2.8Å; E574-Q576 PolarHBondContact O-N 3.22Å
575	N	84.9	Confident	93.7	Very high	111 Å²	111	59.7 Å²	59.7	59%	0.594	32%	0.317	S	S	*	.			trans	53.8	38.9	-174.3	-65.2	-34.3	0	0	0	113	Q570 L577 K655	Q570-N575 PolarHBondContact O-N 3.08Å; Q570-N575 VanDerWaalsContact O-N 3.13Å; N575-L577 PolarHBondContact O-N 2.98Å; N575-K655 WeakPolarHBondContact OD1-CE 3.46Å; N575-K655 PolarHBondContact OD1-NZ 2.92Å
576	Q	84.8	Confident	93.7	Very high	57 Å²	57	59.1 Å²	59.1	27%	0.266	31%	0.314	S	S	.	.			trans	-73.1	72.9	174.3	-166.4	-172.3	45.8	0	0	110.9	N567 Q570 E574	N567-Q576 VanDerWaalsContact CB-OE1 3.28Å; N567-Q576 PolarHBondContact O-OE1 2.97Å; Q570-Q576 HydrophobicContact CB-CB 3.99Å; Q570-Q576 PolarHBondContact O-N 2.92Å; Q570-Q576 VanDerWaalsContact OE1-OE1 3.08Å; E574-Q576 PolarHBondContact O-N 3.22Å
577	L	89.7	Confident	93.7	Very high	46 Å²	46	54.1 Å²	54.1	24%	0.241	28%	0.282	C	S	.	.			trans	-139.4	133.4	-178.2	178.1	77.8	0	0	0	107.4	N575 F585 F587 V656	N575-L577 PolarHBondContact O-N 2.98Å; L577-F585 HydrophobicContact CD1-CB 4.03Å; L577-F585 HydrophobicContact CD2-CD1 3.8Å; L577-F585 HydrophobicContact CD2-CE1 4.45Å; L577-F585 HydrophobicContact CG-CD1 4.3Å; L577-F587 HydrophobicContact CD1-CB 3.78Å; L577-F587 HydrophobicContact CD1-CD1 3.91Å; L577-F587 HydrophobicContact CD1-CG 4.22Å; L577-V656 HydrophobicContact CD1-CG1 4.16Å; L577-V656 HydrophobicContact CD2-CG1 3.34Å; L577-V656 HydrophobicContact CG-CG1 4.38Å
578	E	94.4	Very high	93.8	Very high	83 Å²	83	51.5 Å²	51.5	39%	0.388	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.4	176.4	-67.1	172.3	-143.6	0	0	110.6	P580 F585 W586 R722	E578-P580 WeakPolarHBondContact O-CD 3.43Å; E578-F585 CarbonylContact O-C 3.48Å; E578-F585 WeakPolarHBondContact O-CA 3.3Å; E578-W586 HydrophobicContact CB-CB 4.35Å; E578-W586 PolarHBondContact N-O 3.34Å; E578-W586 PolarHBondContact O-N 2.67Å; E578-R722 IonicContact OE1-CZ 3.76Å; E578-R722 IonicContact OE1-NH1 2.91Å; E578-R722 PolarHBondContact OE1-NH1 2.86Å; E578-R722 IonicContact OE1-NH2 3.69Å; E578-R722 PolarHBondContact OE1-NH2 2.9Å; E578-R722 IonicContact OE2-CZ 3.66Å; E578-R722 IonicContact OE2-NH1 3.75Å; E578-R722 IonicContact OE2-NH2 2.76Å; E578-R722 PolarHBondContact OE2-NH2 3.39Å
579	E	95.4	Very high	93.8	Very high	106 Å²	106	50.9 Å²	50.9	50%	0.495	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	76.9	172.7	-171	-178.3	167	0	0	109	C581 D583 V584 F585	E579-C581 VanDerWaalsContact C-N 3.25Å; E579-C581 VanDerWaalsContact CG-O 3.26Å; E579-C581 WeakPolarHBondContact CG-O 3.32Å; E579-C581 PolarHBondContact O-N 3.39Å; E579-D583 PolarHBondContact OE1-N 2.55Å; E579-V584 WeakPolarHBondContact CA-O 3.46Å; E579-F585 HydrophobicContact CB-CD1 4.32Å; E579-F585 HydrophobicContact CB-CE1 4.42Å; E579-F585 HydrophobicContact CG-CD1 4.31Å; E579-F585 HydrophobicContact CG-CE1 4.18Å
580	P	95	Very high	94	Very high	51 Å²	51	47.8 Å²	47.8	33%	0.331	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	-27.7	-175.9	23.3	-36.7	0	0	0	114.2	E578 V584 W586 C716 I718	E578-P580 WeakPolarHBondContact O-CD 3.43Å; P580-V584 WeakPolarHBondContact CD-O 3.47Å; P580-W586 HydrophobicContact CB-CE3 4.47Å; P580-W586 HydrophobicContact CG-CB 4.04Å; P580-W586 HydrophobicContact CG-CE3 4.07Å; P580-C716 PolarHBondContact O-SG 3.48Å; P580-I718 HydrophobicContact CB-CG1 4.33Å; P580-I718 HydrophobicContact CG-CD1 3.86Å; P580-I718 HydrophobicContact CG-CG1 4.09Å
581	C	95.6	Very high	94.2	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.7	174.5	-54.3	0	0	0	0	108.8	E579 D583 V584 F711 C716	E579-C581 VanDerWaalsContact C-N 3.25Å; E579-C581 VanDerWaalsContact CG-O 3.26Å; E579-C581 WeakPolarHBondContact CG-O 3.32Å; E579-C581 PolarHBondContact O-N 3.39Å; C581-D583 PolarHBondContact O-N 2.97Å; C581-V584 HydrophobicContact CB-CB 3.88Å; C581-V584 HydrophobicContact CB-CG2 3.73Å; C581-V584 WeakPolarHBondContact O-CB 3.3Å; C581-V584 PolarHBondContact O-N 2.9Å; C581-F711 HydrophobicContact CB-CD2 4.36Å; C581-C716 WeakPolarHBondContact CA-SG 3.49Å; C581-C716 HydrophobicContact CB-CB 3.7Å; C581-C716 WeakPolarHBondContact CB-SG 3.33Å; C581-C716 WeakPolarHBondContact SG-CB 3.35Å; C581-C716 CovalentContact SG-SG 2.03Å; C581-C716 PolarHBondContact SG-SG 2.9Å
582	P	96.3	Very high	94.4	Very high	63 Å²	63	52 Å²	52	41%	0.409	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	126.2	179.4	-26.4	34.7	0	0	0	112.3	V584 Y714 H735	P582-V584 PolarHBondContact O-N 3.17Å; P582-Y714 HydrophobicContact CB-CD1 4.19Å; P582-Y714 HydrophobicContact CB-CE1 4.21Å; P582-Y714 HydrophobicContact CB-CG 4.46Å; P582-Y714 HydrophobicContact CG-CD1 4.01Å; P582-Y714 HydrophobicContact CG-CG 4.15Å; P582-H735 PolarHBondContact O-NE2 3.46Å; P582-H735 VanDerWaalsContact O-NE2 3.17Å
583	D	95.6	Very high	94.6	Very high	76 Å²	76	52.7 Å²	52.7	41%	0.406	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	23	-176.5	-62.3	-51.2	0	0	0	114.7	E579 C581 P730	E579-D583 PolarHBondContact OE1-N 2.55Å; C581-D583 PolarHBondContact O-N 2.97Å; D583-P730 WeakPolarHBondContact O-CD 3.14Å
584	V	96.9	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	103.1	172.5	-174.8	0	0	0	0	108.7	E579 P580 C581 P582 F711 I718 F727 M728 H729	E579-V584 WeakPolarHBondContact CA-O 3.46Å; P580-V584 WeakPolarHBondContact CD-O 3.47Å; C581-V584 HydrophobicContact CB-CB 3.88Å; C581-V584 HydrophobicContact CB-CG2 3.73Å; C581-V584 WeakPolarHBondContact O-CB 3.3Å; C581-V584 PolarHBondContact O-N 2.9Å; P582-V584 PolarHBondContact O-N 3.17Å; V584-F711 HydrophobicContact CB-CE2 4.46Å; V584-F711 HydrophobicContact CG1-CE2 3.9Å; V584-F711 HydrophobicContact CG1-CZ 3.92Å; V584-F711 HydrophobicContact CG2-CD1 4.34Å; V584-F711 HydrophobicContact CG2-CD2 4.13Å; V584-F711 HydrophobicContact CG2-CE1 4.08Å; V584-F711 HydrophobicContact CG2-CE2 3.86Å; V584-F711 HydrophobicContact CG2-CG 4.37Å; V584-F711 HydrophobicContact CG2-CZ 3.83Å; V584-I718 HydrophobicContact CG1-CD1 3.8Å; V584-F727 HydrophobicContact CG1-CB 4.34Å; V584-F727 HydrophobicContact CG1-CD2 4.39Å; V584-M728 CarbonylContact C-O 3.18Å; V584-M728 WeakPolarHBondContact CA-O 3.4Å; V584-H729 HydrophobicContact CB-CB 4.45Å; V584-H729 HydrophobicContact CG1-CB 4.31Å; V584-H729 HydrophobicContact CG2-CB 3.93Å
585	F	96.6	Very high	95.3	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.083	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.6	-176	-61.7	-75.8	0	0	0	111.4	L577 E578 E579 V656 F657 F727 M728	L577-F585 HydrophobicContact CD1-CB 4.03Å; L577-F585 HydrophobicContact CD2-CD1 3.8Å; L577-F585 HydrophobicContact CD2-CE1 4.45Å; L577-F585 HydrophobicContact CG-CD1 4.3Å; E578-F585 CarbonylContact O-C 3.48Å; E578-F585 WeakPolarHBondContact O-CA 3.3Å; E579-F585 HydrophobicContact CB-CD1 4.32Å; E579-F585 HydrophobicContact CB-CE1 4.42Å; E579-F585 HydrophobicContact CG-CD1 4.31Å; E579-F585 HydrophobicContact CG-CE1 4.18Å; F585-V656 HydrophobicContact CB-CG1 4.37Å; F585-V656 HydrophobicContact CD1-CB 4.03Å; F585-V656 HydrophobicContact CD1-CG1 4.05Å; F585-V656 HydrophobicContact CD2-CB 3.74Å; F585-V656 HydrophobicContact CD2-CG1 4.39Å; F585-V656 HydrophobicContact CD2-CG2 3.66Å; F585-V656 HydrophobicContact CE1-CB 4.1Å; F585-V656 HydrophobicContact CE1-CG1 4.47Å; F585-V656 HydrophobicContact CE2-CB 3.83Å; F585-V656 HydrophobicContact CE2-CG2 4Å; F585-V656 HydrophobicContact CG-CB 3.84Å; F585-V656 HydrophobicContact CG-CG1 3.99Å; F585-V656 HydrophobicContact CG-CG2 4.06Å; F585-V656 HydrophobicContact CZ-CB 4Å; F585-F657 HydrophobicContact CD2-CE1 4.32Å; F585-F657 HydrophobicContact CD2-CE2 4.16Å; F585-F657 AromaticContact CD2-CZ 3.79Å; F585-F657 HydrophobicContact CD2-CZ 3.79Å; F585-F657 HydrophobicContact CE2-CD1 4.3Å; F585-F657 AromaticContact CE2-CE1 3.62Å; F585-F657 HydrophobicContact CE2-CE1 3.62Å; F585-F657 HydrophobicContact CE2-CE2 4.22Å; F585-F657 AromaticContact CE2-CZ 3.57Å; F585-F657 HydrophobicContact CE2-CZ 3.57Å; F585-F727 CarbonylContact O-C 3.52Å; F585-F727 WeakPolarHBondContact O-CA 3.38Å; F585-M728 PolarHBondContact N-O 3.44Å; F585-M728 PolarHBondContact O-N 3.01Å
586	W	96.7	Very high	96	Very high	24 Å²	24	39.3 Å²	39.3	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.3	-173.5	-164.6	21.3	0	0	0	111	E578 P580 S720 R722 W725 S726 F727	E578-W586 HydrophobicContact CB-CB 4.35Å; E578-W586 PolarHBondContact N-O 3.34Å; E578-W586 PolarHBondContact O-N 2.67Å; P580-W586 HydrophobicContact CB-CE3 4.47Å; P580-W586 HydrophobicContact CG-CB 4.04Å; P580-W586 HydrophobicContact CG-CE3 4.07Å; W586-S720 VanDerWaalsContact CH2-O 3.3Å; W586-S720 WeakPolarHBondContact CH2-O 3.35Å; W586-R722 HydrophobicContact CH2-CG 4Å; W586-R722 HydrophobicContact CZ2-CB 4.01Å; W586-R722 HydrophobicContact CZ2-CG 3.81Å; W586-W725 HydrophobicContact CD2-CE3 4.46Å; W586-W725 HydrophobicContact CG-CE3 4.31Å; W586-S726 WeakPolarHBondContact CA-O 3.47Å; W586-S726 VanDerWaalsContact CD1-O 3.32Å; W586-F727 HydrophobicContact CB-CB 4.39Å; W586-F727 HydrophobicContact CG-CB 4.23Å
587	F	96.9	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.5	-171.4	57.5	-85.7	0	0	0	113.2	I571 L577 V589 I649 V652 W725 S726 M728	I571-F587 HydrophobicContact CD1-CB 3.72Å; I571-F587 HydrophobicContact CD1-CD2 3.7Å; I571-F587 HydrophobicContact CD1-CG 4.05Å; I571-F587 HydrophobicContact CG1-CB 4.17Å; L577-F587 HydrophobicContact CD1-CB 3.78Å; L577-F587 HydrophobicContact CD1-CD1 3.91Å; L577-F587 HydrophobicContact CD1-CG 4.22Å; F587-V589 HydrophobicContact CD2-CB 4.25Å; F587-V589 HydrophobicContact CE2-CB 4.04Å; F587-V589 HydrophobicContact CE2-CG2 4.42Å; F587-I649 HydrophobicContact CE2-CD1 4.08Å; F587-I649 HydrophobicContact CZ-CD1 4.09Å; F587-V652 HydrophobicContact CD1-CG1 3.85Å; F587-V652 HydrophobicContact CD2-CG1 4.21Å; F587-V652 HydrophobicContact CD2-CG2 4.27Å; F587-V652 HydrophobicContact CE1-CG1 3.71Å; F587-V652 HydrophobicContact CE2-CB 4.29Å; F587-V652 HydrophobicContact CE2-CG1 4.07Å; F587-V652 HydrophobicContact CE2-CG2 4.01Å; F587-V652 HydrophobicContact CG-CG1 4.11Å; F587-V652 HydrophobicContact CZ-CB 4.2Å; F587-V652 HydrophobicContact CZ-CG1 3.83Å; F587-V652 HydrophobicContact CZ-CG2 4.42Å; F587-W725 VanDerWaalsContact C-CE3 3.44Å; F587-W725 CarbonylContact O-C 3.53Å; F587-W725 VanDerWaalsContact O-CA 3.31Å; F587-W725 WeakPolarHBondContact O-CA 3.28Å; F587-S726 PolarHBondContact N-O 3.25Å; F587-S726 PolarHBondContact O-N 2.53Å; F587-M728 HydrophobicContact CE1-CB 3.99Å; F587-M728 HydrophobicContact CE1-CE 3.95Å; F587-M728 HydrophobicContact CZ-CE 3.88Å
588	P	97.1	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	137.1	174.6	28.8	-32.3	0	0	0	111.5	H565 N567 W725	H565-P588 HydrophobicContact CB-CB 3.99Å; H565-P588 WeakPolarHBondContact ND1-CB 3.33Å; N567-P588 HydrophobicContact CB-CG 4.36Å; P588-W725 HydrophobicContact CB-CD2 4.11Å; P588-W725 HydrophobicContact CB-CG 4.42Å; P588-W725 HydrophobicContact CB-CZ2 4.07Å; P588-W725 HydrophobicContact CG-CH2 4.33Å; P588-W725 HydrophobicContact CG-CZ2 4.16Å
589	V	97.5	Very high	97.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.			trans	-140.1	-44.9	178.8	67.3	0	0	0	0	114.6	I564 H565 Y568 F587 F644 F648 I649 I695 G724	I564-V589 WeakPolarHBondContact CA-O 3.49Å; H565-V589 PolarHBondContact N-O 2.87Å; Y568-V589 HydrophobicContact CD2-CG2 4.25Å; Y568-V589 HydrophobicContact CE2-CG2 4.34Å; F587-V589 HydrophobicContact CD2-CB 4.25Å; F587-V589 HydrophobicContact CE2-CB 4.04Å; F587-V589 HydrophobicContact CE2-CG2 4.42Å; V589-F644 HydrophobicContact CG1-CZ 4.41Å; V589-F644 HydrophobicContact CG2-CE2 3.74Å; V589-F644 HydrophobicContact CG2-CZ 3.62Å; V589-F648 HydrophobicContact CG2-CB 4.33Å; V589-I649 HydrophobicContact CG2-CD1 3.96Å; V589-I695 HydrophobicContact CG1-CD1 3.97Å; V589-I695 HydrophobicContact CG1-CG1 4.32Å; V589-I695 HydrophobicContact CG1-CG2 4.23Å; V589-G724 PolarHBondContact N-O 3.01Å
590	L	98.4	Very high	97.4	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-102.9	144.3	179.1	-70	-175.6	0	0	0	110.7	Y563 I564 H565 A594 I598 W641 F644 I695 L697 G724	Y563-L590 WeakPolarHBondContact O-CA 3.49Å; I564-L590 HydrophobicContact CD1-CD2 4.43Å; H565-L590 PolarHBondContact CD2-O 2.9Å; L590-A594 HydrophobicContact CB-CB 4.11Å; L590-A594 HydrophobicContact CD2-CB 4.14Å; L590-A594 HydrophobicContact CG-CB 4.49Å; L590-I598 HydrophobicContact CD1-CD1 3.97Å; L590-W641 HydrophobicContact CD1-CH2 4.42Å; L590-F644 HydrophobicContact CD2-CD2 4.31Å; L590-F644 HydrophobicContact CD2-CE2 3.56Å; L590-F644 HydrophobicContact CD2-CZ 3.86Å; L590-F644 HydrophobicContact CG-CE2 4.41Å; L590-F644 HydrophobicContact CG-CZ 4.27Å; L590-I695 HydrophobicContact CD1-CD1 4.27Å; L590-I695 HydrophobicContact CD1-CG2 4.06Å; L590-I695 HydrophobicContact CG-CG2 4.41Å; L590-L697 HydrophobicContact CD1-CD2 4.3Å; L590-G724 PolarHBondContact N-O 3.14Å; L590-G724 VanDerWaalsContact O-CA 3.24Å; L590-G724 WeakPolarHBondContact O-CA 3.16Å
591	S	98.4	Very high	97.5	Very high	15 Å²	15	28.4 Å²	28.4	11%	0.105	14%	0.144	C	C	.	.			trans	-70.6	159.3	168.4	75.5	0	0	0	0	110.2	K562 Y563 K593 A594 C595	K562-S591 WeakPolarHBondContact O-CB 3.12Å; K562-S591 PolarHBondContact O-OG 3.07Å; Y563-S591 WeakPolarHBondContact CA-OG 3.4Å; Y563-S591 PolarHBondContact O-N 3.14Å; S591-K593 PolarHBondContact O-N 3.4Å; S591-A594 WeakPolarHBondContact O-CB 3.42Å; S591-A594 PolarHBondContact O-N 2.03Å; S591-A594 VanDerWaalsContact O-N 3.15Å; S591-A594 PolarHBondContact OG-N 3.14Å; S591-A594 VanDerWaalsContact OG-N 3.16Å; S591-C595 PolarHBondContact O-N 2.8Å; S591-C595 VanDerWaalsContact O-N 3.16Å; S591-C595 PolarHBondContact O-SG 3.33Å; S591-C595 VanDerWaalsContact O-SG 3.39Å
592	E	97.6	Very high	97.6	Very high	121 Å²	121	28.2 Å²	28.2	57%	0.565	14%	0.143	S	C	*	.	H	α-helix	trans	-58.1	-37.3	175	-67.4	-168.8	-172.6	0	0	112	A594 C595 D596 K723	E592-A594 PolarHBondContact O-N 3.38Å; E592-C595 WeakPolarHBondContact O-CB 3.43Å; E592-C595 PolarHBondContact O-N 3.41Å; E592-D596 PolarHBondContact O-N 3.1Å; E592-D596 VanDerWaalsContact O-OD2 3.09Å; E592-K723 HydrophobicContact CB-CD 4.36Å; E592-K723 HydrophobicContact CG-CD 4.11Å; E592-K723 WeakPolarHBondContact O-CE 3.42Å; E592-K723 PolarHBondContact O-NZ 2.92Å
593	K	97.8	Very high	97.6	Very high	93 Å²	93	28.4 Å²	28.4	40%	0.404	14%	0.138	S	C	.	.	H	α-helix	trans	-62.5	-40.2	177.4	-171.5	57.9	164.2	134.8	0	112.2	S591 C595 D596 E597	S591-K593 PolarHBondContact O-N 3.4Å; K593-C595 VanDerWaalsContact C-N 3.34Å; K593-D596 PolarHBondContact O-N 2.99Å; K593-E597 HydrophobicContact CD-CG 4.26Å; K593-E597 WeakPolarHBondContact CE-OE1 3.43Å; K593-E597 IonicContact NZ-OE1 3.89Å; K593-E597 PolarHBondContact NZ-OE1 3.05Å; K593-E597 WeakPolarHBondContact O-CB 3.02Å; K593-E597 WeakPolarHBondContact O-CG 3.22Å; K593-E597 PolarHBondContact O-N 3.37Å
594	A	98.1	Very high	97.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-45.4	173.8	0	0	0	0	0	111.2	Y563 L590 S591 E592 E597 I598	Y563-A594 HydrophobicContact CD1-CB 3.64Å; Y563-A594 HydrophobicContact CG-CB 4.21Å; Y563-A594 WeakPolarHBondContact O-CB 3.4Å; L590-A594 HydrophobicContact CB-CB 4.11Å; L590-A594 HydrophobicContact CD2-CB 4.14Å; L590-A594 HydrophobicContact CG-CB 4.49Å; S591-A594 WeakPolarHBondContact O-CB 3.42Å; S591-A594 PolarHBondContact O-N 2.03Å; S591-A594 VanDerWaalsContact O-N 3.15Å; S591-A594 PolarHBondContact OG-N 3.14Å; S591-A594 VanDerWaalsContact OG-N 3.16Å; E592-A594 PolarHBondContact O-N 3.38Å; A594-E597 PolarHBondContact O-N 2.8Å; A594-I598 WeakPolarHBondContact O-CB 3.47Å; A594-I598 WeakPolarHBondContact O-CD1 3.34Å; A594-I598 WeakPolarHBondContact O-CG1 3.43Å; A594-I598 PolarHBondContact O-N 2.88Å
595	C	98.6	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-46.1	179.5	-63.5	0	0	0	0	112	S591 E592 K593 V599 L697 K723 G724	S591-C595 PolarHBondContact O-N 2.8Å; S591-C595 VanDerWaalsContact O-N 3.16Å; S591-C595 PolarHBondContact O-SG 3.33Å; S591-C595 VanDerWaalsContact O-SG 3.39Å; E592-C595 WeakPolarHBondContact O-CB 3.43Å; E592-C595 PolarHBondContact O-N 3.41Å; K593-C595 VanDerWaalsContact C-N 3.34Å; C595-V599 WeakPolarHBondContact O-CG2 3.37Å; C595-V599 PolarHBondContact O-N 2.89Å; C595-L697 HydrophobicContact CB-CB 4.33Å; C595-L697 HydrophobicContact CB-CD2 4.26Å; C595-L697 VanDerWaalsContact CB-O 3.28Å; C595-L697 WeakPolarHBondContact CB-O 3.25Å; C595-K723 HydrophobicContact CB-CD 4.45Å; C595-K723 HydrophobicContact CB-CG 4.07Å; C595-G724 VanDerWaalsContact SG-CA 3.56Å
596	D	98.4	Very high	97.5	Very high	63 Å²	63	35.4 Å²	35.4	34%	0.337	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-49.4	178.5	-65.8	-34.5	0	0	0	111.4	E592 K593 I598 V599 E600 K723	E592-D596 PolarHBondContact O-N 3.1Å; E592-D596 VanDerWaalsContact O-OD2 3.09Å; K593-D596 PolarHBondContact O-N 2.99Å; D596-I598 VanDerWaalsContact C-N 3.31Å; D596-I598 PolarHBondContact O-N 3.36Å; D596-V599 PolarHBondContact O-N 3.18Å; D596-V599 VanDerWaalsContact O-N 3.16Å; D596-E600 WeakPolarHBondContact O-CB 3.46Å; D596-E600 VanDerWaalsContact O-CG 3.28Å; D596-E600 WeakPolarHBondContact O-CG 3.41Å; D596-E600 PolarHBondContact O-N 3.26Å; D596-K723 WeakPolarHBondContact OD1-CE 3.4Å; D596-K723 IonicContact OD1-NZ 2.63Å; D596-K723 PolarHBondContact OD1-NZ 2.58Å; D596-K723 IonicContact OD2-NZ 3.94Å; D596-K723 PolarHBondContact OD2-NZ 2.89Å
597	E	98.4	Very high	97.3	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.023	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-32.6	-177.4	-71.8	-173.1	-167.6	0	0	113	N546 L549 K562 Y563 K593 A594 E601	N546-E597 HydrophobicContact CB-CB 3.99Å; N546-E597 HydrophobicContact CB-CG 4.22Å; N546-E597 VanDerWaalsContact ND2-CA 3.31Å; N546-E597 WeakPolarHBondContact ND2-CA 3.02Å; N546-E597 WeakPolarHBondContact ND2-CB 3.47Å; N546-E597 PolarHBondContact ND2-O 2.94Å; L549-E597 HydrophobicContact CD1-CB 4.03Å; L549-E597 HydrophobicContact CD2-CB 4.26Å; L549-E597 HydrophobicContact CG-CB 4.23Å; K562-E597 IonicContact NZ-OE1 2.57Å; K562-E597 PolarHBondContact NZ-OE1 3.29Å; K562-E597 IonicContact NZ-OE2 3.27Å; Y563-E597 WeakPolarHBondContact CE1-OE2 3.41Å; Y563-E597 VanDerWaalsContact CZ-OE2 3.27Å; Y563-E597 PolarHBondContact OH-OE2 3.11Å; K593-E597 HydrophobicContact CD-CG 4.26Å; K593-E597 WeakPolarHBondContact CE-OE1 3.43Å; K593-E597 IonicContact NZ-OE1 3.89Å; K593-E597 PolarHBondContact NZ-OE1 3.05Å; K593-E597 WeakPolarHBondContact O-CB 3.02Å; K593-E597 WeakPolarHBondContact O-CG 3.22Å; K593-E597 PolarHBondContact O-N 3.37Å; A594-E597 PolarHBondContact O-N 2.8Å; E597-E601 PolarHBondContact O-N 2.83Å; E597-E601 VanDerWaalsContact O-N 3.07Å
598	I	98.4	Very high	97.1	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-46.1	172.7	-70.7	165.8	0	0	0	110.2	L549 L590 A594 D596 E600 E601 M602 W641 V671 L697	L549-I598 HydrophobicContact CD1-CG1 4.35Å; L549-I598 HydrophobicContact CD2-CG1 4.12Å; L590-I598 HydrophobicContact CD1-CD1 3.97Å; A594-I598 WeakPolarHBondContact O-CB 3.47Å; A594-I598 WeakPolarHBondContact O-CD1 3.34Å; A594-I598 WeakPolarHBondContact O-CG1 3.43Å; A594-I598 PolarHBondContact O-N 2.88Å; D596-I598 VanDerWaalsContact C-N 3.31Å; D596-I598 PolarHBondContact O-N 3.36Å; I598-E600 VanDerWaalsContact C-N 3.34Å; I598-E601 PolarHBondContact O-N 3.36Å; I598-M602 HydrophobicContact CG2-CE 4.47Å; I598-M602 HydrophobicContact CG2-CG 4.47Å; I598-M602 VanDerWaalsContact O-CG 3.24Å; I598-M602 WeakPolarHBondContact O-CG 3.32Å; I598-M602 PolarHBondContact O-N 2.65Å; I598-W641 HydrophobicContact CD1-CZ3 4.07Å; I598-V671 HydrophobicContact CG2-CG2 4.08Å; I598-L697 HydrophobicContact CG2-CD1 4.05Å
599	V	98.4	Very high	96.7	Very high	22 Å²	22	41.2 Å²	41.2	13%	0.133	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-43.3	178.6	170.5	0	0	0	0	110.8	C595 D596 E601 M602 E603 L697 Y748	C595-V599 WeakPolarHBondContact O-CG2 3.37Å; C595-V599 PolarHBondContact O-N 2.89Å; D596-V599 PolarHBondContact O-N 3.18Å; D596-V599 VanDerWaalsContact O-N 3.16Å; V599-E601 PolarHBondContact O-N 3.37Å; V599-M602 PolarHBondContact O-N 3.3Å; V599-E603 HydrophobicContact CG1-CG 4.39Å; V599-E603 WeakPolarHBondContact O-CG 3.33Å; V599-E603 PolarHBondContact O-N 3.04Å; V599-L697 HydrophobicContact CG2-CB 3.7Å; V599-L697 HydrophobicContact CG2-CD1 3.98Å; V599-L697 HydrophobicContact CG2-CG 4.5Å; V599-Y748 HydrophobicContact CG1-CD1 4.39Å; V599-Y748 HydrophobicContact CG1-CD2 3.93Å; V599-Y748 HydrophobicContact CG1-CE1 4.29Å; V599-Y748 HydrophobicContact CG1-CE2 3.87Å; V599-Y748 HydrophobicContact CG1-CG 4.2Å; V599-Y748 HydrophobicContact CG2-CD1 4.47Å; V599-Y748 HydrophobicContact CG2-CD2 4.17Å; V599-Y748 HydrophobicContact CG2-CG 3.95Å
600	E	98.1	Very high	95.8	Very high	74 Å²	74	42.2 Å²	42.2	35%	0.346	22%	0.218	S	C	.	.	H	α-helix	trans	-58.1	-44.9	175.9	-74.5	169.7	-178.9	0	0	112.3	Y545 N546 D596 I598 E603 H604	Y545-E600 HydrophobicContact CD1-CB 3.95Å; Y545-E600 HydrophobicContact CE1-CB 3.76Å; Y545-E600 HydrophobicContact CE1-CG 4.2Å; N546-E600 PolarHBondContact ND2-OE2 2.83Å; D596-E600 WeakPolarHBondContact O-CB 3.46Å; D596-E600 VanDerWaalsContact O-CG 3.28Å; D596-E600 WeakPolarHBondContact O-CG 3.41Å; D596-E600 PolarHBondContact O-N 3.26Å; I598-E600 VanDerWaalsContact C-N 3.34Å; E600-E603 PolarHBondContact O-N 2.95Å; E600-H604 VanDerWaalsContact O-CB 3.22Å; E600-H604 WeakPolarHBondContact O-CB 3.31Å; E600-H604 PolarHBondContact O-N 3.07Å
601	E	97.7	Very high	94.7	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-42.5	175.4	-85.3	-71.1	169.9	0	0	112.4	R544 Y545 N546 L549 W550 E597 I598 V599 H604 Y605	R544-E601 WeakPolarHBondContact CB-OE1 3.32Å; Y545-E601 VanDerWaalsContact CA-OE1 3.29Å; Y545-E601 WeakPolarHBondContact CA-OE1 3.48Å; Y545-E601 VanDerWaalsContact CB-OE1 3.22Å; Y545-E601 WeakPolarHBondContact CB-OE1 3.5Å; Y545-E601 PolarHBondContact N-OE1 3.17Å; N546-E601 HydrophobicContact CB-CG 4.11Å; N546-E601 PolarHBondContact N-OE1 3.23Å; L549-E601 HydrophobicContact CD1-CG 3.91Å; W550-E601 HydrophobicContact CH2-CG 4.18Å; W550-E601 HydrophobicContact CZ3-CG 4.18Å; E597-E601 PolarHBondContact O-N 2.83Å; E597-E601 VanDerWaalsContact O-N 3.07Å; I598-E601 PolarHBondContact O-N 3.36Å; V599-E601 PolarHBondContact O-N 3.37Å; E601-H604 PolarHBondContact O-N 3.42Å; E601-Y605 PolarHBondContact O-N 3.01Å
602	M	97.4	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-43.3	178.4	-65.8	-62.9	172.7	0	0	111.7	I598 V599 Y605 G606 W608 I630 M632 I635 V671	I598-M602 HydrophobicContact CG2-CE 4.47Å; I598-M602 HydrophobicContact CG2-CG 4.47Å; I598-M602 VanDerWaalsContact O-CG 3.24Å; I598-M602 WeakPolarHBondContact O-CG 3.32Å; I598-M602 PolarHBondContact O-N 2.65Å; V599-M602 PolarHBondContact O-N 3.3Å; M602-Y605 PolarHBondContact O-N 3.25Å; M602-G606 PolarHBondContact O-N 3.49Å; M602-W608 HydrophobicContact CB-CH2 3.88Å; M602-W608 HydrophobicContact CB-CZ2 3.89Å; M602-I630 HydrophobicContact CB-CD1 4.15Å; M602-I630 VanDerWaalsContact O-CD1 3.23Å; M602-I630 WeakPolarHBondContact O-CD1 3.2Å; M602-I630 HydrophobicContact SD-CB 3.74Å; M602-I630 HydrophobicContact SD-CD1 4.33Å; M602-I630 HydrophobicContact SD-CG2 3.51Å; M602-I630 VanDerWaalsContact SD-CG2 3.51Å; M602-M632 HydrophobicContact CE-CE 4.11Å; M602-M632 HydrophobicContact CE-SD 3.42Å; M602-M632 WeakPolarHBondContact CE-SD 3.48Å; M602-I635 HydrophobicContact CE-CD1 3.41Å; M602-I635 VanDerWaalsContact CE-CD1 3.41Å; M602-I635 HydrophobicContact CE-CG1 4.23Å; M602-I635 HydrophobicContact SD-CD1 3.99Å; M602-I635 HydrophobicContact SD-CG2 4.47Å; M602-V671 HydrophobicContact CE-CB 4.19Å; M602-V671 HydrophobicContact CE-CG2 3.68Å; M602-V671 HydrophobicContact CG-CB 4.03Å; M602-V671 HydrophobicContact CG-CG1 4.23Å; M602-V671 HydrophobicContact CG-CG2 4.1Å; M602-V671 HydrophobicContact SD-CB 4.27Å; M602-V671 HydrophobicContact SD-CG2 4.36Å
603	E	97.4	Very high	92.3	Very high	67 Å²	67	46.8 Å²	46.8	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-68.7	-35.4	175.4	-70.9	-59.5	153.5	0	0	112.6	V599 E600 Y605 G606 W608 K673 Y748	V599-E603 HydrophobicContact CG1-CG 4.39Å; V599-E603 WeakPolarHBondContact O-CG 3.33Å; V599-E603 PolarHBondContact O-N 3.04Å; E600-E603 PolarHBondContact O-N 2.95Å; E603-Y605 VanDerWaalsContact C-N 3.34Å; E603-G606 WeakPolarHBondContact O-CA 3.47Å; E603-G606 PolarHBondContact O-N 3.48Å; E603-W608 HydrophobicContact CG-CZ2 4.42Å; E603-W608 WeakPolarHBondContact OE1-CZ2 3.33Å; E603-W608 PolarHBondContact OE2-NE1 2.98Å; E603-K673 VanDerWaalsContact CD-NZ 3.31Å; E603-K673 WeakPolarHBondContact OE1-CE 3.49Å; E603-K673 IonicContact OE1-NZ 3.06Å; E603-K673 PolarHBondContact OE1-NZ 3.49Å; E603-K673 IonicContact OE2-NZ 3.96Å; E603-K673 PolarHBondContact OE2-NZ 3.17Å; E603-Y748 VanDerWaalsContact CD-OH 3.31Å; E603-Y748 WeakPolarHBondContact OE1-CE1 3.41Å; E603-Y748 PolarHBondContact OE1-OH 2.93Å
604	H	97.1	Very high	90.8	Very high	125 Å²	125	49.4 Å²	49.4	58%	0.579	26%	0.255	S	S	*	.	H	α-helix	trans	-63.8	-40.1	174.6	-175.9	67.6	0	0	0	111.8	Y545 E600 E601	Y545-H604 HydrophobicContact CD2-CB 4.38Å; Y545-H604 AromaticContact CD2-CG 3.94Å; Y545-H604 AromaticContact CD2-ND1 3.79Å; Y545-H604 HydrophobicContact CG-CB 4.32Å; E600-H604 VanDerWaalsContact O-CB 3.22Å; E600-H604 WeakPolarHBondContact O-CB 3.31Å; E600-H604 PolarHBondContact O-N 3.07Å; E601-H604 PolarHBondContact O-N 3.42Å
605	Y	96.3	Very high	89.2	Confident	78 Å²	78	49.8 Å²	49.8	31%	0.306	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-42.2	172.3	-177.9	-113.3	0	0	0	111.9	E601 M602 E603 L607 I630 Q634 I635	E601-Y605 PolarHBondContact O-N 3.01Å; M602-Y605 PolarHBondContact O-N 3.25Å; E603-Y605 VanDerWaalsContact C-N 3.34Å; Y605-L607 HydrophobicContact CD1-CB 4.05Å; Y605-L607 HydrophobicContact CE1-CB 3.62Å; Y605-L607 HydrophobicContact CE1-CD1 4.25Å; Y605-L607 HydrophobicContact CE1-CG 4.29Å; Y605-L607 HydrophobicContact CE2-CD1 4.14Å; Y605-L607 PolarHBondContact O-N 3.18Å; Y605-I630 HydrophobicContact CD1-CD1 3.93Å; Y605-I630 HydrophobicContact CD1-CG1 4.18Å; Y605-I630 HydrophobicContact CD1-CG2 3.8Å; Y605-I630 HydrophobicContact CE1-CG2 4.08Å; Y605-Q634 HydrophobicContact CE1-CB 4Å; Y605-I635 HydrophobicContact CD1-CG2 3.97Å; Y605-I635 HydrophobicContact CD2-CG2 4.07Å; Y605-I635 HydrophobicContact CG-CG2 3.68Å
606	G	93.8	Very high	87.6	Confident	38 Å²	38	59.3 Å²	59.3	39%	0.392	30%	0.298	S	S	.	.			trans	70.3	-11.5	165.6	0	0	0	0	0	117	M602 E603 W608	M602-G606 PolarHBondContact O-N 3.49Å; E603-G606 WeakPolarHBondContact O-CA 3.47Å; E603-G606 PolarHBondContact O-N 3.48Å; G606-W608 VanDerWaalsContact O-CD1 3.29Å; G606-W608 PolarHBondContact O-N 2.99Å; G606-W608 VanDerWaalsContact O-N 3.08Å
607	L	92.2	Very high	86.2	Confident	104 Å²	104	60.4 Å²	60.4	55%	0.545	30%	0.298	S	S	.	.			trans	-85.3	75.3	-179.8	-59.8	177.5	0	0	0	111.1	Y605 R617	Y605-L607 HydrophobicContact CD1-CB 4.05Å; Y605-L607 HydrophobicContact CE1-CB 3.62Å; Y605-L607 HydrophobicContact CE1-CD1 4.25Å; Y605-L607 HydrophobicContact CE1-CG 4.29Å; Y605-L607 HydrophobicContact CE2-CD1 4.14Å; Y605-L607 PolarHBondContact O-N 3.18Å; L607-R617 PolarHBondContact O-NH1 3.5Å
608	W	92.3	Very high	84.6	Confident	23 Å²	23	61.4 Å²	61.4	9%	0.087	30%	0.303	C	S	.	.			trans	-80.6	140.4	177.1	-62.9	94.4	0	0	0	113	M602 E603 G606 G610 D628 I630 V671 K673 R678 Y748	M602-W608 HydrophobicContact CB-CH2 3.88Å; M602-W608 HydrophobicContact CB-CZ2 3.89Å; E603-W608 HydrophobicContact CG-CZ2 4.42Å; E603-W608 WeakPolarHBondContact OE1-CZ2 3.33Å; E603-W608 PolarHBondContact OE2-NE1 2.98Å; G606-W608 VanDerWaalsContact O-CD1 3.29Å; G606-W608 PolarHBondContact O-N 2.99Å; G606-W608 VanDerWaalsContact O-N 3.08Å; W608-G610 VanDerWaalsContact C-N 3.29Å; W608-G610 PolarHBondContact O-N 3.23Å; W608-D628 VanDerWaalsContact CB-OD1 3.29Å; W608-D628 WeakPolarHBondContact CB-OD1 3.08Å; W608-I630 HydrophobicContact CD2-CD1 3.55Å; W608-I630 HydrophobicContact CD2-CG1 3.94Å; W608-I630 HydrophobicContact CE3-CD1 3.81Å; W608-I630 HydrophobicContact CE3-CG1 3.8Å; W608-I630 HydrophobicContact CG-CD1 4.06Å; W608-I630 HydrophobicContact CG-CG1 4.39Å; W608-I630 HydrophobicContact CH2-CD1 3.99Å; W608-I630 HydrophobicContact CZ2-CD1 3.76Å; W608-I630 HydrophobicContact CZ3-CD1 4.01Å; W608-I630 HydrophobicContact CZ3-CG1 4.13Å; W608-V671 HydrophobicContact CH2-CG1 4.18Å; W608-V671 HydrophobicContact CZ3-CG1 4.47Å; W608-K673 HydrophobicContact CD2-CB 4.26Å; W608-K673 HydrophobicContact CD2-CD 3.87Å; W608-K673 HydrophobicContact CE3-CB 3.68Å; W608-K673 HydrophobicContact CE3-CD 4.16Å; W608-K673 HydrophobicContact CG-CD 4.42Å; W608-K673 HydrophobicContact CH2-CB 3.82Å; W608-K673 HydrophobicContact CH2-CD 4.23Å; W608-K673 HydrophobicContact CZ2-CB 4.36Å; W608-K673 HydrophobicContact CZ2-CD 3.91Å; W608-K673 HydrophobicContact CZ3-CB 3.44Å; W608-K673 VanDerWaalsContact CZ3-CB 3.44Å; W608-K673 HydrophobicContact CZ3-CD 4.34Å; W608-R678 PolarHBondContact O-NH2 3.11Å; W608-Y748 HydrophobicContact CH2-CD1 4.05Å; W608-Y748 AromaticContact CH2-CE1 3.82Å; W608-Y748 HydrophobicContact CH2-CE1 3.82Å; W608-Y748 AromaticContact CZ2-CE1 3.91Å; W608-Y748 HydrophobicContact CZ2-CE1 3.91Å
609	S	87.4	Confident	82.7	Confident	20 Å²	20	66.3 Å²	66.3	14%	0.14	34%	0.344	C	S	.	.			trans	-58.3	-33.2	-171.4	88.5	0	0	0	0	115	G611 T627 D628 D629	S609-G611 PolarHBondContact OG-N 3.03Å; S609-T627 PolarHBondContact OG-O 2.91Å; S609-D628 PolarHBondContact N-OD1 2.53Å; S609-D628 WeakPolarHBondContact OG-CA 3.31Å; S609-D629 PolarHBondContact N-O 3.26Å; S609-D629 VanDerWaalsContact N-O 3.08Å; S609-D629 PolarHBondContact OG-N 3.16Å
610	G	80.3	Confident	80.9	Confident	21 Å²	21	69 Å²	69	22%	0.216	38%	0.376	C	S	.	.			trans	77.1	13.9	-170.4	0	0	0	0	0	116.3	W608 K612 D628 R678	W608-G610 VanDerWaalsContact C-N 3.29Å; W608-G610 PolarHBondContact O-N 3.23Å; G610-K612 PolarHBondContact O-N 3.23Å; G610-D628 VanDerWaalsContact CA-OD1 3.24Å; G610-D628 WeakPolarHBondContact CA-OD1 3.21Å; G610-D628 PolarHBondContact N-OD1 3.24Å; G610-R678 VanDerWaalsContact CA-CZ 3.45Å; G610-R678 VanDerWaalsContact N-NH2 3.2Å
611	G	75.2	Confident	79.3	Confident	21 Å²	21	66.8 Å²	66.8	22%	0.216	37%	0.373	C	S	.	.	S	Bend	trans	66.3	34.8	173.8	0	0	0	0	0	113.4	S609 P626	S609-G611 PolarHBondContact OG-N 3.03Å; G611-P626 WeakPolarHBondContact O-CG 3.42Å
612	K	75.3	Confident	77.8	Confident	144 Å²	144	73.1 Å²	73.1	63%	0.626	40%	0.398	S	S	*	.			trans	-97.4	142.6	-179.9	-65.4	-178.9	-179	177.7	0	111	G610 E614 P626	G610-K612 PolarHBondContact O-N 3.23Å; K612-E614 VanDerWaalsContact C-N 3.26Å; K612-E614 PolarHBondContact O-N 3.26Å; K612-P626 VanDerWaalsContact C-CB 3.44Å; K612-P626 WeakPolarHBondContact O-CB 3.42Å
613	H	68.8	Low	76.5	Confident	69 Å²	69	73.8 Å²	73.8	32%	0.319	40%	0.401	S	S	.	.	S	Bend	trans	-61.7	-30.2	178	-78.9	-71.1	0	0	0	114.2	Y622 E623 P626	H613-Y622 HydrophobicContact CB-CD2 4.5Å; H613-Y622 HydrophobicContact CB-CE2 3.91Å; H613-Y622 CarbonylContact O-C 3.52Å; H613-Y622 VanDerWaalsContact O-CA 3.27Å; H613-Y622 WeakPolarHBondContact O-CA 3.28Å; H613-Y622 WeakPolarHBondContact O-CD2 3.33Å; H613-E623 PolarHBondContact ND1-O 3.12Å; H613-E623 PolarHBondContact O-N 2.9Å; H613-P626 WeakPolarHBondContact CE1-CD 3.38Å; H613-P626 WeakPolarHBondContact ND1-CD 3.01Å
614	E	66.2	Low	75.1	Confident	148 Å²	148	75.8 Å²	75.8	69%	0.692	42%	0.418	S	S	*	.	B	Isolated β-bridge	trans	-97.8	115.7	174.3	-69.5	-176.9	-177.8	0	0	109.6	K612 G621 Y622	K612-E614 VanDerWaalsContact C-N 3.26Å; K612-E614 PolarHBondContact O-N 3.26Å; E614-G621 WeakPolarHBondContact CA-O 3.41Å; E614-Y622 HydrophobicContact CG-CD2 4.37Å
615	D	65	Low	74.1	Confident	9 Å²	9	71.4 Å²	71.4	5%	0.048	40%	0.4	C	S	.	.			trans	-129	105.5	175.2	-169.8	-11.5	0	0	0	110.8	R617 I618 G621	D615-R617 PolarHBondContact O-N 3.23Å; D615-R617 WeakPolarHBondContact OD1-CB 3.4Å; D615-R617 WeakPolarHBondContact OD1-CG 3.27Å; D615-R617 IonicContact OD1-CZ 3.48Å; D615-R617 PolarHBondContact OD1-N 3.22Å; D615-R617 IonicContact OD1-NE 3.75Å; D615-R617 PolarHBondContact OD1-NE 2.83Å; D615-R617 IonicContact OD1-NH2 2.99Å; D615-R617 IonicContact OD2-CZ 3.92Å; D615-R617 VanDerWaalsContact OD2-CZ 3.26Å; D615-R617 IonicContact OD2-NE 3.17Å; D615-R617 PolarHBondContact OD2-NE 3.22Å; D615-R617 VanDerWaalsContact OD2-NE 3.1Å; D615-R617 IonicContact OD2-NH2 2.89Å; D615-R617 PolarHBondContact OD2-NH2 2.92Å; D615-I618 HydrophobicContact CB-CD1 4.38Å; D615-I618 HydrophobicContact CB-CG1 4.05Å; D615-I618 WeakPolarHBondContact O-CG1 3.5Å; D615-I618 PolarHBondContact O-N 2.76Å; D615-G621 PolarHBondContact N-O 2.73Å; D615-G621 VanDerWaalsContact N-O 3.1Å; D615-G621 VanDerWaalsContact O-CA 3.3Å; D615-G621 WeakPolarHBondContact O-CA 3.39Å
616	K	64.9	Low	73.4	Confident	200 Å²	200	68.2 Å²	68.2	87%	0.87	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-6.9	179.9	-63	-176.9	-179.5	179.4	0	113.4
617	R	68.9	Low	72.9	Confident	87 Å²	87	66.8 Å²	66.8	33%	0.328	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.1	-177.4	-52.1	169.6	-56.2	144.3	22	111.9	L607 D615 D629	L607-R617 PolarHBondContact O-NH1 3.5Å; D615-R617 PolarHBondContact O-N 3.23Å; D615-R617 WeakPolarHBondContact OD1-CB 3.4Å; D615-R617 WeakPolarHBondContact OD1-CG 3.27Å; D615-R617 IonicContact OD1-CZ 3.48Å; D615-R617 PolarHBondContact OD1-N 3.22Å; D615-R617 IonicContact OD1-NE 3.75Å; D615-R617 PolarHBondContact OD1-NE 2.83Å; D615-R617 IonicContact OD1-NH2 2.99Å; D615-R617 IonicContact OD2-CZ 3.92Å; D615-R617 VanDerWaalsContact OD2-CZ 3.26Å; D615-R617 IonicContact OD2-NE 3.17Å; D615-R617 PolarHBondContact OD2-NE 3.22Å; D615-R617 VanDerWaalsContact OD2-NE 3.1Å; D615-R617 IonicContact OD2-NH2 2.89Å; D615-R617 PolarHBondContact OD2-NH2 2.92Å; R617-D629 PolarHBondContact NH2-O 3.01Å; R617-D629 IonicContact NH2-OD1 3.26Å
618	I	65.8	Low	72.8	Confident	26 Å²	26	61.9 Å²	61.9	13%	0.133	35%	0.347	C	S	.	.	S	Bend	trans	-104.1	154.9	178.3	63.8	164.1	0	0	0	112.2	D615 G620 G621 E623 H631	D615-I618 HydrophobicContact CB-CD1 4.38Å; D615-I618 HydrophobicContact CB-CG1 4.05Å; D615-I618 WeakPolarHBondContact O-CG1 3.5Å; D615-I618 PolarHBondContact O-N 2.76Å; I618-G620 PolarHBondContact O-N 2.82Å; I618-G621 PolarHBondContact O-N 2.62Å; I618-E623 HydrophobicContact CD1-CG 3.35Å; I618-H631 WeakPolarHBondContact CG2-NE2 3.04Å
619	A	58.9	Low	72.8	Confident	108 Å²	108	60.8 Å²	60.8	89%	0.893	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	115.8	177.1	0	0	0	0	0	110.3
620	G	60.8	Low	73.1	Confident	79 Å²	79	59.9 Å²	59.9	81%	0.814	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.3	-14.6	-178.2	0	0	0	0	0	114.7	I618 Y622	I618-G620 PolarHBondContact O-N 2.82Å; G620-Y622 PolarHBondContact O-N 2.89Å; G620-Y622 VanDerWaalsContact O-N 3.12Å
621	G	64.6	Low	73.8	Confident	28 Å²	28	59.6 Å²	59.6	29%	0.289	33%	0.329	S	S	.	.	S	Bend	trans	73.1	-2.1	166.6	0	0	0	0	0	117	E614 D615 I618	E614-G621 WeakPolarHBondContact CA-O 3.41Å; D615-G621 PolarHBondContact N-O 2.73Å; D615-G621 VanDerWaalsContact N-O 3.1Å; D615-G621 VanDerWaalsContact O-CA 3.3Å; D615-G621 WeakPolarHBondContact O-CA 3.39Å; I618-G621 PolarHBondContact O-N 2.62Å
622	Y	65.7	Low	74.8	Confident	140 Å²	140	58.6 Å²	58.6	55%	0.549	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-142.4	126.8	-172.9	-167.4	-92.3	0	0	0	112.8	H613 E614 G620	H613-Y622 HydrophobicContact CB-CD2 4.5Å; H613-Y622 HydrophobicContact CB-CE2 3.91Å; H613-Y622 CarbonylContact O-C 3.52Å; H613-Y622 VanDerWaalsContact O-CA 3.27Å; H613-Y622 WeakPolarHBondContact O-CA 3.28Å; H613-Y622 WeakPolarHBondContact O-CD2 3.33Å; E614-Y622 HydrophobicContact CG-CD2 4.37Å; G620-Y622 PolarHBondContact O-N 2.89Å; G620-Y622 VanDerWaalsContact O-N 3.12Å
623	E	69	Low	75.7	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.065	32%	0.322	C	S	.	.			trans	-105.1	124.7	174.8	-64.8	-169.2	162.2	0	0	111	H613 I618 V625 P626 H631	H613-E623 PolarHBondContact ND1-O 3.12Å; H613-E623 PolarHBondContact O-N 2.9Å; I618-E623 HydrophobicContact CD1-CG 3.35Å; E623-V625 VanDerWaalsContact C-N 3.26Å; E623-V625 PolarHBondContact O-N 3.14Å; E623-P626 HydrophobicContact CB-CB 4.17Å; E623-P626 VanDerWaalsContact OE2-CA 3.26Å; E623-P626 WeakPolarHBondContact OE2-CA 3.4Å; E623-H631 IonicContact OE1-NE2 2.88Å
624	T	68.4	Low	76.9	Confident	109 Å²	109	57.8 Å²	57.8	67%	0.669	32%	0.315	S	S	*	.	S	Bend	trans	-67.4	-30	177.5	50.7	0	0	0	0	112	R683	T624-R683 PolarHBondContact O-NH2 3.33Å
625	V	75.6	Confident	78.2	Confident	33 Å²	33	51.2 Å²	51.2	20%	0.2	29%	0.285	C	S	.	.	S	Bend	trans	-139	91.6	178.4	-171.9	0	0	0	0	108.3	E623 L682 R683 H685	E623-V625 VanDerWaalsContact C-N 3.26Å; E623-V625 PolarHBondContact O-N 3.14Å; V625-L682 HydrophobicContact CG1-CD1 3.67Å; V625-L682 HydrophobicContact CG1-CG 4.17Å; V625-R683 HydrophobicContact CG1-CG 4.33Å; V625-H685 HydrophobicContact CG1-CB 4.27Å; V625-H685 HydrophobicContact CG2-CB 3.84Å
626	P	81.8	Confident	79.7	Confident	12 Å²	12	52.6 Å²	52.6	8%	0.078	30%	0.301	C	S	.	.			trans	-79.9	143.5	-168.3	31.7	-36.8	0	0	0	112.8	G611 K612 H613 E623 Q679	G611-P626 WeakPolarHBondContact O-CG 3.42Å; K612-P626 VanDerWaalsContact C-CB 3.44Å; K612-P626 WeakPolarHBondContact O-CB 3.42Å; H613-P626 WeakPolarHBondContact CE1-CD 3.38Å; H613-P626 WeakPolarHBondContact ND1-CD 3.01Å; E623-P626 HydrophobicContact CB-CB 4.17Å; E623-P626 VanDerWaalsContact OE2-CA 3.26Å; E623-P626 WeakPolarHBondContact OE2-CA 3.4Å; P626-Q679 PolarHBondContact O-NE2 3.15Å
627	T	84.3	Confident	81.2	Confident	8 Å²	8	43.4 Å²	43.4	5%	0.049	26%	0.261	C	S	.	.			trans	-126.8	146.3	178.4	31.9	0	0	0	0	111.2	S609 D629 V672 L682	S609-T627 PolarHBondContact OG-O 2.91Å; T627-D629 WeakPolarHBondContact CB-OD2 3.38Å; T627-D629 PolarHBondContact O-N 3.07Å; T627-D629 PolarHBondContact OG1-OD2 3.25Å; T627-V672 HydrophobicContact CG2-CG1 4Å; T627-V672 HydrophobicContact CG2-CG2 4.27Å; T627-L682 HydrophobicContact CG2-CD1 3.67Å; T627-L682 HydrophobicContact CG2-CD2 3.8Å; T627-L682 HydrophobicContact CG2-CG 4.37Å
628	D	90.4	Very high	82.5	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	26%	0.256	C	S	.	.	S	Bend	trans	-74.3	92.1	172.9	-171.1	30.2	0	0	0	109.4	W608 S609 G610 K673 R678 Q679	W608-D628 VanDerWaalsContact CB-OD1 3.29Å; W608-D628 WeakPolarHBondContact CB-OD1 3.08Å; S609-D628 PolarHBondContact N-OD1 2.53Å; S609-D628 WeakPolarHBondContact OG-CA 3.31Å; G610-D628 VanDerWaalsContact CA-OD1 3.24Å; G610-D628 WeakPolarHBondContact CA-OD1 3.21Å; G610-D628 PolarHBondContact N-OD1 3.24Å; D628-K673 PolarHBondContact O-N 2.79Å; D628-R678 VanDerWaalsContact CG-NH1 3.26Å; D628-R678 IonicContact OD1-CZ 2.78Å; D628-R678 IonicContact OD1-NE 3.2Å; D628-R678 IonicContact OD1-NH1 3.91Å; D628-R678 PolarHBondContact OD1-NH1 2.73Å; D628-R678 IonicContact OD1-NH2 3.62Å; D628-R678 PolarHBondContact OD1-NH2 2.87Å; D628-R678 VanDerWaalsContact OD2-CD 3.24Å; D628-R678 WeakPolarHBondContact OD2-CD 3.37Å; D628-R678 IonicContact OD2-CZ 2.64Å; D628-R678 VanDerWaalsContact OD2-CZ 3.27Å; D628-R678 IonicContact OD2-NE 3.83Å; D628-R678 PolarHBondContact OD2-NE 3.2Å; D628-R678 IonicContact OD2-NH1 3.1Å; D628-R678 PolarHBondContact OD2-NH1 2.82Å; D628-Q679 HydrophobicContact CB-CB 4.34Å
629	D	91.7	Very high	84	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	168.3	-164.3	58.2	34.5	0	0	0	114.9	S609 R617 T627 F670 V671 V672	S609-D629 PolarHBondContact N-O 3.26Å; S609-D629 VanDerWaalsContact N-O 3.08Å; S609-D629 PolarHBondContact OG-N 3.16Å; R617-D629 PolarHBondContact NH2-O 3.01Å; R617-D629 IonicContact NH2-OD1 3.26Å; T627-D629 WeakPolarHBondContact CB-OD2 3.38Å; T627-D629 PolarHBondContact O-N 3.07Å; T627-D629 PolarHBondContact OG1-OD2 3.25Å; D629-F670 HydrophobicContact CB-CB 4.42Å; D629-F670 HydrophobicContact CB-CD2 4.04Å; D629-V671 WeakPolarHBondContact CA-O 3.44Å; D629-V671 WeakPolarHBondContact CB-O 3.17Å; D629-V672 HydrophobicContact CB-CG2 4.3Å
630	I	94.6	Very high	85.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.5	169.8	-64.2	163.8	0	0	0	107.8	M602 Y605 W608 Q634 I635 F670 V671	M602-I630 HydrophobicContact CB-CD1 4.15Å; M602-I630 VanDerWaalsContact O-CD1 3.23Å; M602-I630 WeakPolarHBondContact O-CD1 3.2Å; M602-I630 HydrophobicContact SD-CB 3.74Å; M602-I630 HydrophobicContact SD-CD1 4.33Å; M602-I630 HydrophobicContact SD-CG2 3.51Å; M602-I630 VanDerWaalsContact SD-CG2 3.51Å; Y605-I630 HydrophobicContact CD1-CD1 3.93Å; Y605-I630 HydrophobicContact CD1-CG1 4.18Å; Y605-I630 HydrophobicContact CD1-CG2 3.8Å; Y605-I630 HydrophobicContact CE1-CG2 4.08Å; W608-I630 HydrophobicContact CD2-CD1 3.55Å; W608-I630 HydrophobicContact CD2-CG1 3.94Å; W608-I630 HydrophobicContact CE3-CD1 3.81Å; W608-I630 HydrophobicContact CE3-CG1 3.8Å; W608-I630 HydrophobicContact CG-CD1 4.06Å; W608-I630 HydrophobicContact CG-CG1 4.39Å; W608-I630 HydrophobicContact CH2-CD1 3.99Å; W608-I630 HydrophobicContact CZ2-CD1 3.76Å; W608-I630 HydrophobicContact CZ3-CD1 4.01Å; W608-I630 HydrophobicContact CZ3-CG1 4.13Å; I630-Q634 HydrophobicContact CG2-CB 4.32Å; I630-I635 HydrophobicContact CG2-CG2 4.09Å; I630-F670 CarbonylContact O-C 3.58Å; I630-F670 VanDerWaalsContact O-CA 3.28Å; I630-F670 WeakPolarHBondContact O-CA 3.2Å; I630-F670 WeakPolarHBondContact O-CB 3.33Å; I630-V671 PolarHBondContact N-O 2.75Å; I630-V671 VanDerWaalsContact N-O 3.07Å; I630-V671 PolarHBondContact O-N 2.8Å
631	H	94.1	Very high	87.6	Confident	15 Å²	15	39.8 Å²	39.8	7%	0.069	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	143.8	174.2	-74.3	-112.3	0	0	0	111.7	I618 E623 K633 Q634 N669 F670	I618-H631 WeakPolarHBondContact CG2-NE2 3.04Å; E623-H631 IonicContact OE1-NE2 2.88Å; H631-K633 PolarHBondContact O-N 2.86Å; H631-Q634 HydrophobicContact CB-CG 4.16Å; H631-Q634 WeakPolarHBondContact O-CB 3.47Å; H631-Q634 PolarHBondContact O-N 3.18Å; H631-N669 CarbonylContact C-O 3.6Å; H631-N669 WeakPolarHBondContact CA-O 3.29Å; H631-F670 AromaticContact CE1-CD1 3.98Å
632	M	95.8	Very high	89.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.4	176.1	-58.7	-56.7	178.7	0	0	112	M602 Q634 I635 G636 F637 D638 W641 N669 V671 A750	M602-M632 HydrophobicContact CE-CE 4.11Å; M602-M632 HydrophobicContact CE-SD 3.42Å; M602-M632 WeakPolarHBondContact CE-SD 3.48Å; M632-Q634 VanDerWaalsContact C-N 3.31Å; M632-Q634 PolarHBondContact O-N 3.2Å; M632-I635 WeakPolarHBondContact O-CG1 3.45Å; M632-I635 PolarHBondContact O-N 3.1Å; M632-G636 PolarHBondContact O-N 3.26Å; M632-G636 VanDerWaalsContact O-N 3.12Å; M632-F637 HydrophobicContact CB-CB 4.49Å; M632-F637 PolarHBondContact O-N 3.24Å; M632-F637 HydrophobicContact SD-CD1 3.89Å; M632-D638 HydrophobicContact CB-CB 4.28Å; M632-D638 PolarHBondContact O-N 2.66Å; M632-W641 HydrophobicContact CB-CB 4.44Å; M632-W641 HydrophobicContact CE-CD2 3.83Å; M632-W641 HydrophobicContact CE-CE3 3.94Å; M632-W641 HydrophobicContact CE-CG 4.37Å; M632-W641 HydrophobicContact CE-CH2 4.21Å; M632-W641 HydrophobicContact CE-CZ2 4.13Å; M632-W641 HydrophobicContact CE-CZ3 4.13Å; M632-W641 HydrophobicContact CG-CB 4.11Å; M632-W641 HydrophobicContact CG-CD2 4.37Å; M632-W641 HydrophobicContact CG-CG 3.94Å; M632-W641 HydrophobicContact SD-CD2 4.47Å; M632-N669 HydrophobicContact CB-CB 4.11Å; M632-N669 HydrophobicContact CG-CB 3.63Å; M632-N669 PolarHBondContact N-O 3.35Å; M632-V671 HydrophobicContact CE-CG2 3.71Å; M632-A750 HydrophobicContact CE-CB 4.48Å
633	K	94.2	Very high	90.7	Very high	157 Å²	157	35.1 Å²	35.1	68%	0.683	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.6	176.3	-168.6	176.9	-177.4	179.2	0	113.3	H631 I635 G636 D638	H631-K633 PolarHBondContact O-N 2.86Å; K633-I635 VanDerWaalsContact C-N 3.31Å; K633-I635 PolarHBondContact O-N 3.47Å; K633-G636 PolarHBondContact O-N 3.34Å; K633-G636 VanDerWaalsContact O-N 3.14Å; K633-D638 HydrophobicContact CB-CB 4.18Å
634	Q	93.4	Very high	92.1	Very high	39 Å²	39	34.6 Å²	34.6	18%	0.182	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-32.5	-178	-66.5	175.3	-101.4	0	0	112.3	Y605 I630 H631 M632	Y605-Q634 HydrophobicContact CE1-CB 4Å; I630-Q634 HydrophobicContact CG2-CB 4.32Å; H631-Q634 HydrophobicContact CB-CG 4.16Å; H631-Q634 WeakPolarHBondContact O-CB 3.47Å; H631-Q634 PolarHBondContact O-N 3.18Å; M632-Q634 VanDerWaalsContact C-N 3.31Å; M632-Q634 PolarHBondContact O-N 3.2Å
635	I	95.1	Very high	93.5	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.056	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.5	173.8	63.5	162.2	0	0	0	112.4	R544 M602 Y605 I630 M632 K633 F637	R544-I635 VanDerWaalsContact CZ-O 3.31Å; R544-I635 PolarHBondContact NH1-O 2.77Å; R544-I635 PolarHBondContact NH2-O 2.77Å; R544-I635 VanDerWaalsContact NH2-O 3.11Å; M602-I635 HydrophobicContact CE-CD1 3.41Å; M602-I635 VanDerWaalsContact CE-CD1 3.41Å; M602-I635 HydrophobicContact CE-CG1 4.23Å; M602-I635 HydrophobicContact SD-CD1 3.99Å; M602-I635 HydrophobicContact SD-CG2 4.47Å; Y605-I635 HydrophobicContact CD1-CG2 3.97Å; Y605-I635 HydrophobicContact CD2-CG2 4.07Å; Y605-I635 HydrophobicContact CG-CG2 3.68Å; I630-I635 HydrophobicContact CG2-CG2 4.09Å; M632-I635 WeakPolarHBondContact O-CG1 3.45Å; M632-I635 PolarHBondContact O-N 3.1Å; K633-I635 VanDerWaalsContact C-N 3.31Å; K633-I635 PolarHBondContact O-N 3.47Å; I635-F637 HydrophobicContact CD1-CB 3.7Å; I635-F637 HydrophobicContact CD1-CG 4.39Å; I635-F637 HydrophobicContact CG1-CB 3.75Å
636	G	95.6	Very high	94.5	Very high	38 Å²	38	34.1 Å²	34.1	39%	0.392	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	37.9	-177.6	0	0	0	0	0	113.6	W550 M632 K633	W550-G636 PolarHBondContact NE1-O 2.85Å; M632-G636 PolarHBondContact O-N 3.26Å; M632-G636 VanDerWaalsContact O-N 3.12Å; K633-G636 PolarHBondContact O-N 3.34Å; K633-G636 VanDerWaalsContact O-N 3.14Å
637	F	96.9	Very high	95.2	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.026	18%	0.178	C	C	.	.			trans	-110.8	4.4	177	-166.1	-126.2	0	0	0	112.9	L549 W550 M632 I635 K639 E640 W641	L549-F637 HydrophobicContact CB-CE2 3.96Å; L549-F637 HydrophobicContact CB-CZ 4.17Å; L549-F637 WeakPolarHBondContact O-CE2 3.44Å; W550-F637 AromaticContact CD2-CD2 3.96Å; W550-F637 HydrophobicContact CD2-CD2 3.96Å; W550-F637 HydrophobicContact CD2-CE2 4.36Å; W550-F637 AromaticContact CE2-CD2 3.58Å; W550-F637 HydrophobicContact CG-CD2 4.31Å; W550-F637 HydrophobicContact CH2-CD2 4.45Å; W550-F637 HydrophobicContact CZ2-CB 3.9Å; W550-F637 AromaticContact CZ2-CD2 3.86Å; W550-F637 HydrophobicContact CZ2-CD2 3.86Å; W550-F637 HydrophobicContact CZ2-CG 4.2Å; W550-F637 AromaticContact NE1-CD2 3.7Å; M632-F637 HydrophobicContact CB-CB 4.49Å; M632-F637 PolarHBondContact O-N 3.24Å; M632-F637 HydrophobicContact SD-CD1 3.89Å; I635-F637 HydrophobicContact CD1-CB 3.7Å; I635-F637 HydrophobicContact CD1-CG 4.39Å; I635-F637 HydrophobicContact CG1-CB 3.75Å; F637-K639 PolarHBondContact O-N 3.07Å; F637-E640 WeakPolarHBondContact CA-OE2 3.37Å; F637-E640 HydrophobicContact CD2-CB 3.58Å; F637-E640 HydrophobicContact CD2-CG 3.92Å; F637-E640 HydrophobicContact CE2-CB 3.43Å; F637-E640 VanDerWaalsContact CE2-CB 3.43Å; F637-E640 HydrophobicContact CE2-CG 3.92Å; F637-E640 HydrophobicContact CG-CB 4.36Å; F637-E640 HydrophobicContact CZ-CB 4.12Å; F637-E640 PolarHBondContact O-N 2.98Å; F637-W641 HydrophobicContact CD1-CB 4.44Å; F637-W641 HydrophobicContact CD1-CE3 4.43Å; F637-W641 AromaticContact CE1-CE3 3.89Å; F637-W641 HydrophobicContact CE1-CE3 3.89Å; F637-W641 VanDerWaalsContact O-CB 3.32Å; F637-W641 WeakPolarHBondContact O-CB 3.48Å; F637-W641 PolarHBondContact O-N 3.21Å
638	D	95.8	Very high	95.8	Very high	41 Å²	41	38 Å²	38	22%	0.219	18%	0.179	C	C	.	.	H	α-helix	trans	-63.2	-37.8	-174.8	-174.6	63	0	0	0	113.1	M632 K633 W641 L642 N669	M632-D638 HydrophobicContact CB-CB 4.28Å; M632-D638 PolarHBondContact O-N 2.66Å; K633-D638 HydrophobicContact CB-CB 4.18Å; D638-W641 PolarHBondContact O-N 2.97Å; D638-L642 WeakPolarHBondContact O-CB 3.32Å; D638-L642 WeakPolarHBondContact O-CG 3.48Å; D638-L642 PolarHBondContact O-N 3.17Å; D638-N669 PolarHBondContact OD1-ND2 3.07Å
639	K	96.9	Very high	96.2	Very high	156 Å²	156	38 Å²	38	68%	0.678	18%	0.179	S	C	*	.	H	α-helix	trans	-67.7	-45	179.9	-69.2	-179.7	-180	176.5	0	111.3	F553 F637 L642 H643	F553-K639 HydrophobicContact CE2-CB 4.38Å; F553-K639 HydrophobicContact CZ-CB 4.46Å; F553-K639 WeakPolarHBondContact CZ-O 3.37Å; F637-K639 PolarHBondContact O-N 3.07Å; K639-L642 PolarHBondContact O-N 3.3Å; K639-H643 PolarHBondContact O-N 3.44Å
640	E	97.6	Very high	96.4	Very high	24 Å²	24	38.3 Å²	38.3	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-44.8	178.1	-65	68.2	-154.4	0	0	110	W550 I552 F553 F637 H643 F644	W550-E640 VanDerWaalsContact CD1-CD 3.4Å; W550-E640 HydrophobicContact CG-CG 4.32Å; I552-E640 HydrophobicContact CG2-CB 3.88Å; I552-E640 HydrophobicContact CG2-CG 3.93Å; F553-E640 HydrophobicContact CD2-CG 4.38Å; F553-E640 HydrophobicContact CE2-CB 4.45Å; F553-E640 HydrophobicContact CE2-CG 3.92Å; F637-E640 WeakPolarHBondContact CA-OE2 3.37Å; F637-E640 HydrophobicContact CD2-CB 3.58Å; F637-E640 HydrophobicContact CD2-CG 3.92Å; F637-E640 HydrophobicContact CE2-CB 3.43Å; F637-E640 VanDerWaalsContact CE2-CB 3.43Å; F637-E640 HydrophobicContact CE2-CG 3.92Å; F637-E640 HydrophobicContact CG-CB 4.36Å; F637-E640 HydrophobicContact CZ-CB 4.12Å; F637-E640 PolarHBondContact O-N 2.98Å; E640-H643 WeakPolarHBondContact O-CB 3.42Å; E640-H643 PolarHBondContact O-N 3.08Å; E640-F644 PolarHBondContact O-N 2.81Å
641	W	98.1	Very high	96.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-45.1	176.8	-168.9	-99.2	0	0	0	112.6	L590 I598 M632 F637 D638 H643 F644 L645 N669 I695 A750 S752	L590-W641 HydrophobicContact CD1-CH2 4.42Å; I598-W641 HydrophobicContact CD1-CZ3 4.07Å; M632-W641 HydrophobicContact CB-CB 4.44Å; M632-W641 HydrophobicContact CE-CD2 3.83Å; M632-W641 HydrophobicContact CE-CE3 3.94Å; M632-W641 HydrophobicContact CE-CG 4.37Å; M632-W641 HydrophobicContact CE-CH2 4.21Å; M632-W641 HydrophobicContact CE-CZ2 4.13Å; M632-W641 HydrophobicContact CE-CZ3 4.13Å; M632-W641 HydrophobicContact CG-CB 4.11Å; M632-W641 HydrophobicContact CG-CD2 4.37Å; M632-W641 HydrophobicContact CG-CG 3.94Å; M632-W641 HydrophobicContact SD-CD2 4.47Å; F637-W641 HydrophobicContact CD1-CB 4.44Å; F637-W641 HydrophobicContact CD1-CE3 4.43Å; F637-W641 AromaticContact CE1-CE3 3.89Å; F637-W641 HydrophobicContact CE1-CE3 3.89Å; F637-W641 VanDerWaalsContact O-CB 3.32Å; F637-W641 WeakPolarHBondContact O-CB 3.48Å; F637-W641 PolarHBondContact O-N 3.21Å; D638-W641 PolarHBondContact O-N 2.97Å; W641-H643 VanDerWaalsContact C-N 3.27Å; W641-H643 PolarHBondContact O-N 3.15Å; W641-F644 HydrophobicContact CD2-CD1 4.12Å; W641-F644 HydrophobicContact CE3-CD1 4.07Å; W641-F644 HydrophobicContact CH2-CD1 4.22Å; W641-F644 AromaticContact CH2-CE1 3.92Å; W641-F644 HydrophobicContact CH2-CE1 3.92Å; W641-F644 HydrophobicContact CZ2-CD1 4.24Å; W641-F644 HydrophobicContact CZ2-CE1 4.01Å; W641-F644 HydrophobicContact CZ3-CD1 4.12Å; W641-F644 HydrophobicContact CZ3-CE1 4.2Å; W641-F644 CarbonylContact O-C 3.54Å; W641-F644 WeakPolarHBondContact O-CA 3.38Å; W641-F644 VanDerWaalsContact O-CB 3.29Å; W641-F644 WeakPolarHBondContact O-CB 3.4Å; W641-F644 PolarHBondContact O-N 3.31Å; W641-F644 VanDerWaalsContact O-N 3.1Å; W641-L645 WeakPolarHBondContact O-CG 3.49Å; W641-L645 PolarHBondContact O-N 3Å; W641-N669 HydrophobicContact CG-CB 4.44Å; W641-I695 HydrophobicContact CH2-CD1 3.92Å; W641-I695 HydrophobicContact CZ2-CD1 4.12Å; W641-A750 HydrophobicContact CH2-CB 3.81Å; W641-A750 HydrophobicContact CZ2-CB 3.97Å; W641-S752 PolarHBondContact NE1-OG 2.99Å
642	L	97.9	Very high	96.5	Very high	43 Å²	43	39.7 Å²	39.7	23%	0.225	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-37.4	174.5	-75.4	173.6	0	0	0	112.2	D638 K639 L645 R646 A666	D638-L642 WeakPolarHBondContact O-CB 3.32Å; D638-L642 WeakPolarHBondContact O-CG 3.48Å; D638-L642 PolarHBondContact O-N 3.17Å; K639-L642 PolarHBondContact O-N 3.3Å; L642-L645 HydrophobicContact CD2-CD1 4.24Å; L642-L645 PolarHBondContact O-N 3.38Å; L642-R646 PolarHBondContact O-N 2.81Å; L642-A666 HydrophobicContact CD2-CB 4.18Å; L642-A666 WeakPolarHBondContact CD2-O 3.26Å
643	H	97.8	Very high	96.5	Very high	27 Å²	27	39.7 Å²	39.7	13%	0.125	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-43.2	173	-173.5	44.4	0	0	0	111.2	I552 F553 K639 E640 W641 L645 R646 E647	I552-H643 HydrophobicContact CD1-CB 4.42Å; F553-H643 AromaticContact CD1-CD2 3.54Å; F553-H643 AromaticContact CD1-NE2 3.9Å; F553-H643 HydrophobicContact CE1-CB 3.5Å; F553-H643 AromaticContact CE1-CD2 3.32Å; F553-H643 WeakPolarHBondContact CE1-CD2 3.38Å; F553-H643 AromaticContact CE1-CG 3.35Å; F553-H643 AromaticContact CE1-NE2 3.98Å; F553-H643 HydrophobicContact CZ-CB 3.53Å; F553-H643 AromaticContact CZ-CG 3.92Å; K639-H643 PolarHBondContact O-N 3.44Å; E640-H643 WeakPolarHBondContact O-CB 3.42Å; E640-H643 PolarHBondContact O-N 3.08Å; W641-H643 VanDerWaalsContact C-N 3.27Å; W641-H643 PolarHBondContact O-N 3.15Å; H643-L645 VanDerWaalsContact C-N 3.34Å; H643-L645 PolarHBondContact O-N 2.77Å; H643-R646 PolarHBondContact CE1-NH2 2.89Å; H643-R646 PolarHBondContact ND1-NH2 2.93Å; H643-R646 PolarHBondContact O-N 2.86Å; H643-R646 VanDerWaalsContact O-N 3.14Å; H643-E647 VanDerWaalsContact CE1-CD 3.47Å; H643-E647 WeakPolarHBondContact CE1-CG 3.2Å; H643-E647 IonicContact CE1-OE1 3.29Å; H643-E647 PolarHBondContact CE1-OE1 3.29Å; H643-E647 WeakPolarHBondContact ND1-CG 3.31Å; H643-E647 IonicContact ND1-OE1 3.39Å; H643-E647 PolarHBondContact ND1-OE1 2.6Å; H643-E647 WeakPolarHBondContact O-CG 3.5Å; H643-E647 PolarHBondContact O-N 3.13Å
644	F	98.2	Very high	96.4	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-55.7	-45.4	172.2	160.6	-96.1	0	0	0	112.2	I552 W559 I564 V589 L590 E640 W641 R646 E647 F648 I649 I695	I552-F644 HydrophobicContact CD1-CB 4.05Å; W559-F644 HydrophobicContact CH2-CB 4.5Å; W559-F644 HydrophobicContact CH2-CD2 4.02Å; W559-F644 HydrophobicContact CZ3-CD2 4.46Å; I564-F644 HydrophobicContact CD1-CD2 4.04Å; I564-F644 HydrophobicContact CD1-CE2 3.8Å; V589-F644 HydrophobicContact CG1-CZ 4.41Å; V589-F644 HydrophobicContact CG2-CE2 3.74Å; V589-F644 HydrophobicContact CG2-CZ 3.62Å; L590-F644 HydrophobicContact CD2-CD2 4.31Å; L590-F644 HydrophobicContact CD2-CE2 3.56Å; L590-F644 HydrophobicContact CD2-CZ 3.86Å; L590-F644 HydrophobicContact CG-CE2 4.41Å; L590-F644 HydrophobicContact CG-CZ 4.27Å; E640-F644 PolarHBondContact O-N 2.81Å; W641-F644 HydrophobicContact CD2-CD1 4.12Å; W641-F644 HydrophobicContact CE3-CD1 4.07Å; W641-F644 HydrophobicContact CH2-CD1 4.22Å; W641-F644 AromaticContact CH2-CE1 3.92Å; W641-F644 HydrophobicContact CH2-CE1 3.92Å; W641-F644 HydrophobicContact CZ2-CD1 4.24Å; W641-F644 HydrophobicContact CZ2-CE1 4.01Å; W641-F644 HydrophobicContact CZ3-CD1 4.12Å; W641-F644 HydrophobicContact CZ3-CE1 4.2Å; W641-F644 CarbonylContact O-C 3.54Å; W641-F644 WeakPolarHBondContact O-CA 3.38Å; W641-F644 VanDerWaalsContact O-CB 3.29Å; W641-F644 WeakPolarHBondContact O-CB 3.4Å; W641-F644 PolarHBondContact O-N 3.31Å; W641-F644 VanDerWaalsContact O-N 3.1Å; F644-R646 VanDerWaalsContact C-N 3.32Å; F644-R646 PolarHBondContact O-N 3.1Å; F644-E647 PolarHBondContact O-N 3.09Å; F644-F648 HydrophobicContact CD2-CB 4.1Å; F644-F648 AromaticContact CD2-CD2 3.61Å; F644-F648 HydrophobicContact CD2-CD2 3.61Å; F644-F648 HydrophobicContact CD2-CE2 4.48Å; F644-F648 HydrophobicContact CD2-CG 4.2Å; F644-F648 HydrophobicContact CE2-CB 3.98Å; F644-F648 HydrophobicContact CE2-CD2 4.21Å; F644-F648 HydrophobicContact CE2-CG 4.37Å; F644-F648 HydrophobicContact CG-CD2 4.43Å; F644-F648 WeakPolarHBondContact O-CB 3.49Å; F644-F648 PolarHBondContact O-N 2.82Å; F644-I649 HydrophobicContact CE1-CD1 4.27Å; F644-I649 HydrophobicContact CE1-CG1 3.98Å; F644-I649 HydrophobicContact CZ-CD1 4.14Å; F644-I649 HydrophobicContact CZ-CG1 4.23Å; F644-I695 HydrophobicContact CE1-CD1 4.01Å; F644-I695 HydrophobicContact CZ-CD1 4.03Å
645	L	97.8	Very high	96.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.183	C	C	.	.	I	π-helix	trans	-59.6	-42.6	175.8	-63.5	-175.6	0	0	0	112	W641 L642 H643 I649 S650 A666 I693 V754	W641-L645 WeakPolarHBondContact O-CG 3.49Å; W641-L645 PolarHBondContact O-N 3Å; L642-L645 HydrophobicContact CD2-CD1 4.24Å; L642-L645 PolarHBondContact O-N 3.38Å; H643-L645 VanDerWaalsContact C-N 3.34Å; H643-L645 PolarHBondContact O-N 2.77Å; L645-I649 HydrophobicContact CD2-CB 4.32Å; L645-I649 HydrophobicContact CD2-CG1 3.82Å; L645-I649 WeakPolarHBondContact O-CA 3.43Å; L645-I649 WeakPolarHBondContact O-CB 3.32Å; L645-I649 PolarHBondContact O-N 3.49Å; L645-I649 VanDerWaalsContact O-N 3.1Å; L645-S650 PolarHBondContact O-N 2.9Å; L645-S650 PolarHBondContact O-OG 3.49Å; L645-A666 HydrophobicContact CD1-CB 3.61Å; L645-I693 HydrophobicContact CD2-CD1 3.36Å; L645-I693 HydrophobicContact CD2-CG1 4.45Å; L645-V754 HydrophobicContact CD1-CG2 4.33Å
646	R	96.9	Very high	96.2	Very high	131 Å²	131	37.5 Å²	37.5	49%	0.494	19%	0.186	S	C	.	.	I	π-helix	trans	-67.5	-44.3	179.9	-168.3	179.9	68.8	-157.8	1.2	112.6	L642 H643 F644 S650	L642-R646 PolarHBondContact O-N 2.81Å; H643-R646 PolarHBondContact CE1-NH2 2.89Å; H643-R646 PolarHBondContact ND1-NH2 2.93Å; H643-R646 PolarHBondContact O-N 2.86Å; H643-R646 VanDerWaalsContact O-N 3.14Å; F644-R646 VanDerWaalsContact C-N 3.32Å; F644-R646 PolarHBondContact O-N 3.1Å; R646-S650 WeakPolarHBondContact O-CB 3.35Å
647	E	96.6	Very high	96.1	Very high	82 Å²	82	37.7 Å²	37.7	38%	0.383	18%	0.176	S	C	.	.	I	π-helix	trans	-83.5	-30.8	-173.9	-57.9	-54.4	136.8	0	0	113.3	H643 F644 P651	H643-E647 VanDerWaalsContact CE1-CD 3.47Å; H643-E647 WeakPolarHBondContact CE1-CG 3.2Å; H643-E647 IonicContact CE1-OE1 3.29Å; H643-E647 PolarHBondContact CE1-OE1 3.29Å; H643-E647 WeakPolarHBondContact ND1-CG 3.31Å; H643-E647 IonicContact ND1-OE1 3.39Å; H643-E647 PolarHBondContact ND1-OE1 2.6Å; H643-E647 WeakPolarHBondContact O-CG 3.5Å; H643-E647 PolarHBondContact O-N 3.13Å; F644-E647 PolarHBondContact O-N 3.09Å; E647-P651 WeakPolarHBondContact O-CG 3.27Å
648	F	97.3	Very high	95.7	Very high	19 Å²	19	42.8 Å²	42.8	8%	0.083	21%	0.213	C	C	.	.	I	π-helix	trans	-119.6	-23.2	-170.8	-58.8	-74.3	0	0	0	115.2	I552 W559 K560 I564 Y568 V589 F644	I552-F648 HydrophobicContact CD1-CE2 4.48Å; W559-F648 HydrophobicContact CE3-CE2 4.38Å; W559-F648 HydrophobicContact CZ3-CD2 4.44Å; W559-F648 AromaticContact CZ3-CE2 3.79Å; W559-F648 HydrophobicContact CZ3-CE2 3.79Å; W559-F648 HydrophobicContact CZ3-CZ 4.39Å; K560-F648 HydrophobicContact CB-CZ 4.31Å; K560-F648 HydrophobicContact CD-CE1 4.09Å; K560-F648 HydrophobicContact CD-CZ 4.3Å; K560-F648 HydrophobicContact CG-CE1 4.11Å; K560-F648 HydrophobicContact CG-CZ 4.14Å; I564-F648 HydrophobicContact CB-CE1 4.49Å; I564-F648 HydrophobicContact CD1-CB 4.39Å; I564-F648 HydrophobicContact CD1-CD1 3.8Å; I564-F648 HydrophobicContact CD1-CD2 3.73Å; I564-F648 HydrophobicContact CD1-CE1 3.96Å; I564-F648 HydrophobicContact CD1-CE2 3.87Å; I564-F648 HydrophobicContact CD1-CG 3.69Å; I564-F648 HydrophobicContact CD1-CZ 3.99Å; I564-F648 HydrophobicContact CG1-CD1 3.96Å; I564-F648 HydrophobicContact CG1-CD2 4.32Å; I564-F648 HydrophobicContact CG1-CE1 3.62Å; I564-F648 HydrophobicContact CG1-CE2 3.99Å; I564-F648 HydrophobicContact CG1-CG 4.3Å; I564-F648 HydrophobicContact CG1-CZ 3.63Å; I564-F648 HydrophobicContact CG2-CD1 4.32Å; I564-F648 HydrophobicContact CG2-CE1 4.32Å; Y568-F648 HydrophobicContact CD1-CD1 4.32Å; Y568-F648 AromaticContact CE1-CD1 3.79Å; Y568-F648 HydrophobicContact CE1-CD1 3.79Å; Y568-F648 HydrophobicContact CE1-CE1 4.48Å; Y568-F648 HydrophobicContact CE2-CB 4.26Å; Y568-F648 HydrophobicContact CE2-CD1 4.49Å; Y568-F648 VanDerWaalsContact CE2-O 3.31Å; Y568-F648 WeakPolarHBondContact CE2-O 3.26Å; Y568-F648 AromaticContact CZ-CD1 3.9Å; Y568-F648 WeakPolarHBondContact OH-CA 3.43Å; Y568-F648 PolarHBondContact OH-O 2.91Å; V589-F648 HydrophobicContact CG2-CB 4.33Å; F644-F648 HydrophobicContact CD2-CB 4.1Å; F644-F648 AromaticContact CD2-CD2 3.61Å; F644-F648 HydrophobicContact CD2-CD2 3.61Å; F644-F648 HydrophobicContact CD2-CE2 4.48Å; F644-F648 HydrophobicContact CD2-CG 4.2Å; F644-F648 HydrophobicContact CE2-CB 3.98Å; F644-F648 HydrophobicContact CE2-CD2 4.21Å; F644-F648 HydrophobicContact CE2-CG 4.37Å; F644-F648 HydrophobicContact CG-CD2 4.43Å; F644-F648 WeakPolarHBondContact O-CB 3.49Å; F644-F648 PolarHBondContact O-N 2.82Å
649	I	97.3	Very high	95.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.235	C	C	.	.	I	π-helix	trans	-97.4	-46.6	179.1	-59.1	-63.7	0	0	0	110.7	F587 V589 F644 L645 V652 T653 F691 I693 M728	F587-I649 HydrophobicContact CE2-CD1 4.08Å; F587-I649 HydrophobicContact CZ-CD1 4.09Å; V589-I649 HydrophobicContact CG2-CD1 3.96Å; F644-I649 HydrophobicContact CE1-CD1 4.27Å; F644-I649 HydrophobicContact CE1-CG1 3.98Å; F644-I649 HydrophobicContact CZ-CD1 4.14Å; F644-I649 HydrophobicContact CZ-CG1 4.23Å; L645-I649 HydrophobicContact CD2-CB 4.32Å; L645-I649 HydrophobicContact CD2-CG1 3.82Å; L645-I649 WeakPolarHBondContact O-CA 3.43Å; L645-I649 WeakPolarHBondContact O-CB 3.32Å; L645-I649 PolarHBondContact O-N 3.49Å; L645-I649 VanDerWaalsContact O-N 3.1Å; I649-V652 WeakPolarHBondContact O-CB 3.28Å; I649-V652 PolarHBondContact O-N 2.92Å; I649-T653 PolarHBondContact O-N 2.92Å; I649-T653 PolarHBondContact O-OG1 3.26Å; I649-F691 HydrophobicContact CG2-CE2 4.1Å; I649-I693 HydrophobicContact CD1-CD1 3.89Å; I649-I693 HydrophobicContact CG1-CD1 3.78Å; I649-I693 HydrophobicContact CG2-CD1 4.24Å; I649-I693 HydrophobicContact CG2-CG2 3.73Å; I649-M728 HydrophobicContact CG2-CE 3.67Å
650	S	96	Very high	95.3	Very high	8 Å²	8	39.7 Å²	39.7	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-54.6	-43	-178	-56	0	0	0	0	113.2	L645 R646 V652 T653 L654 G664	L645-S650 PolarHBondContact O-N 2.9Å; L645-S650 PolarHBondContact O-OG 3.49Å; R646-S650 WeakPolarHBondContact O-CB 3.35Å; S650-V652 VanDerWaalsContact C-N 3.32Å; S650-V652 PolarHBondContact O-N 3.02Å; S650-T653 WeakPolarHBondContact O-CB 3.29Å; S650-T653 PolarHBondContact O-N 3.44Å; S650-L654 WeakPolarHBondContact O-CG 3.46Å; S650-L654 PolarHBondContact O-N 3.28Å; S650-G664 WeakPolarHBondContact OG-CA 3.42Å; S650-G664 PolarHBondContact OG-N 3.36Å
651	P	95.4	Very high	95	Very high	44 Å²	44	47.7 Å²	47.7	29%	0.286	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-34.4	176.5	-23.7	36.3	0	0	0	113.7	F572 E647 K655	F572-P651 HydrophobicContact CE1-CB 4.07Å; F572-P651 HydrophobicContact CZ-CB 3.8Å; E647-P651 WeakPolarHBondContact O-CG 3.27Å; P651-K655 PolarHBondContact O-N 2.87Å
652	V	95.6	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69	-43.3	175.5	-176.6	0	0	0	0	109.9	Y568 I571 F572 F587 I649 S650 L654 K655 V656	Y568-V652 HydrophobicContact CE2-CG2 3.92Å; I571-V652 HydrophobicContact CD1-CG2 4.24Å; I571-V652 HydrophobicContact CG2-CG1 4.44Å; I571-V652 HydrophobicContact CG2-CG2 4.46Å; F572-V652 HydrophobicContact CE2-CG2 4.35Å; F572-V652 HydrophobicContact CZ-CG2 3.7Å; F587-V652 HydrophobicContact CD1-CG1 3.85Å; F587-V652 HydrophobicContact CD2-CG1 4.21Å; F587-V652 HydrophobicContact CD2-CG2 4.27Å; F587-V652 HydrophobicContact CE1-CG1 3.71Å; F587-V652 HydrophobicContact CE2-CB 4.29Å; F587-V652 HydrophobicContact CE2-CG1 4.07Å; F587-V652 HydrophobicContact CE2-CG2 4.01Å; F587-V652 HydrophobicContact CG-CG1 4.11Å; F587-V652 HydrophobicContact CZ-CB 4.2Å; F587-V652 HydrophobicContact CZ-CG1 3.83Å; F587-V652 HydrophobicContact CZ-CG2 4.42Å; I649-V652 WeakPolarHBondContact O-CB 3.28Å; I649-V652 PolarHBondContact O-N 2.92Å; S650-V652 VanDerWaalsContact C-N 3.32Å; S650-V652 PolarHBondContact O-N 3.02Å; V652-L654 VanDerWaalsContact C-N 3.34Å; V652-L654 PolarHBondContact O-N 2.86Å; V652-K655 WeakPolarHBondContact O-CB 3.11Å; V652-K655 PolarHBondContact O-N 2.86Å; V652-V656 HydrophobicContact CG1-CG1 4.29Å; V652-V656 WeakPolarHBondContact O-CG2 3.41Å; V652-V656 PolarHBondContact O-N 3.15Å
653	T	95.1	Very high	94.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.7	-45.9	175.6	-50.5	0	0	0	0	111.7	I649 S650 K655 V656 F657 Y660 T662 F691 M728	I649-T653 PolarHBondContact O-N 2.92Å; I649-T653 PolarHBondContact O-OG1 3.26Å; S650-T653 WeakPolarHBondContact O-CB 3.29Å; S650-T653 PolarHBondContact O-N 3.44Å; T653-K655 PolarHBondContact O-N 3.41Å; T653-V656 PolarHBondContact O-N 2.89Å; T653-F657 HydrophobicContact CG2-CD2 3.99Å; T653-F657 PolarHBondContact O-N 2.85Å; T653-Y660 HydrophobicContact CG2-CD1 3.71Å; T653-Y660 HydrophobicContact CG2-CE1 3.88Å; T653-T662 HydrophobicContact CG2-CG2 4.05Å; T653-F691 HydrophobicContact CG2-CD1 4.28Å; T653-F691 HydrophobicContact CG2-CE1 3.89Å; T653-F691 HydrophobicContact CG2-CE2 4.29Å; T653-F691 HydrophobicContact CG2-CZ 3.86Å; T653-F691 WeakPolarHBondContact OG1-CZ 3.45Å; T653-M728 HydrophobicContact CG2-SD 4.24Å; T653-M728 WeakPolarHBondContact OG1-CE 3.5Å
654	L	92.8	Very high	93.9	Very high	74 Å²	74	53.9 Å²	53.9	39%	0.387	27%	0.273	S	S	.	.	H	α-helix	trans	-59.4	-34.5	176.5	-68.9	176.6	0	0	0	112.5	S650 V652 Y660 Y661	S650-L654 WeakPolarHBondContact O-CG 3.46Å; S650-L654 PolarHBondContact O-N 3.28Å; V652-L654 VanDerWaalsContact C-N 3.34Å; V652-L654 PolarHBondContact O-N 2.86Å; L654-Y660 WeakPolarHBondContact CD2-O 3.38Å; L654-Y661 HydrophobicContact CD2-CD1 3.63Å; L654-Y661 HydrophobicContact CD2-CE1 4.23Å; L654-Y661 HydrophobicContact CD2-CG 4.16Å
655	K	92.3	Very high	93.6	Very high	64 Å²	64	59.6 Å²	59.6	28%	0.278	30%	0.295	S	S	.	.	H	α-helix	trans	-72	-46.2	179	-176.2	-170.9	172.7	100.6	0	111.5	I571 F572 N575 P651 V652 T653	I571-K655 HydrophobicContact CG2-CD 4.04Å; I571-K655 WeakPolarHBondContact O-CE 3.37Å; I571-K655 PolarHBondContact O-NZ 3.15Å; F572-K655 HydrophobicContact CD1-CD 4.12Å; F572-K655 HydrophobicContact CE1-CB 4.45Å; F572-K655 HydrophobicContact CE1-CD 4.32Å; N575-K655 WeakPolarHBondContact OD1-CE 3.46Å; N575-K655 PolarHBondContact OD1-NZ 2.92Å; P651-K655 PolarHBondContact O-N 2.87Å; V652-K655 WeakPolarHBondContact O-CB 3.11Å; V652-K655 PolarHBondContact O-N 2.86Å; T653-K655 PolarHBondContact O-N 3.41Å
656	V	93	Very high	93.4	Very high	22 Å²	22	59.7 Å²	59.7	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-85.6	-32.3	-171.7	-54.3	0	0	0	0	113	L577 F585 V652 T653 M728	L577-V656 HydrophobicContact CD1-CG1 4.16Å; L577-V656 HydrophobicContact CD2-CG1 3.34Å; L577-V656 HydrophobicContact CG-CG1 4.38Å; F585-V656 HydrophobicContact CB-CG1 4.37Å; F585-V656 HydrophobicContact CD1-CB 4.03Å; F585-V656 HydrophobicContact CD1-CG1 4.05Å; F585-V656 HydrophobicContact CD2-CB 3.74Å; F585-V656 HydrophobicContact CD2-CG1 4.39Å; F585-V656 HydrophobicContact CD2-CG2 3.66Å; F585-V656 HydrophobicContact CE1-CB 4.1Å; F585-V656 HydrophobicContact CE1-CG1 4.47Å; F585-V656 HydrophobicContact CE2-CB 3.83Å; F585-V656 HydrophobicContact CE2-CG2 4Å; F585-V656 HydrophobicContact CG-CB 3.84Å; F585-V656 HydrophobicContact CG-CG1 3.99Å; F585-V656 HydrophobicContact CG-CG2 4.06Å; F585-V656 HydrophobicContact CZ-CB 4Å; V652-V656 HydrophobicContact CG1-CG1 4.29Å; V652-V656 WeakPolarHBondContact O-CG2 3.41Å; V652-V656 PolarHBondContact O-N 3.15Å; T653-V656 PolarHBondContact O-N 2.89Å; V656-M728 HydrophobicContact CG2-SD 4Å
657	F	92.9	Very high	92.9	Very high	42 Å²	42	58.7 Å²	58.7	18%	0.184	30%	0.3	C	S	.	.	S	Bend	trans	-109.6	77	175.6	-63.1	-64.5	0	0	0	110.3	F585 T653 G659 Y660 M728 P730	F585-F657 HydrophobicContact CD2-CE1 4.32Å; F585-F657 HydrophobicContact CD2-CE2 4.16Å; F585-F657 AromaticContact CD2-CZ 3.79Å; F585-F657 HydrophobicContact CD2-CZ 3.79Å; F585-F657 HydrophobicContact CE2-CD1 4.3Å; F585-F657 AromaticContact CE2-CE1 3.62Å; F585-F657 HydrophobicContact CE2-CE1 3.62Å; F585-F657 HydrophobicContact CE2-CE2 4.22Å; F585-F657 AromaticContact CE2-CZ 3.57Å; F585-F657 HydrophobicContact CE2-CZ 3.57Å; T653-F657 HydrophobicContact CG2-CD2 3.99Å; T653-F657 PolarHBondContact O-N 2.85Å; F657-G659 PolarHBondContact O-N 2.88Å; F657-Y660 WeakPolarHBondContact O-CB 3.5Å; F657-Y660 PolarHBondContact O-N 3.3Å; F657-M728 HydrophobicContact CD2-SD 4.36Å; F657-M728 HydrophobicContact CE2-CG 4.27Å; F657-M728 HydrophobicContact CE2-SD 3.93Å; F657-P730 HydrophobicContact CZ-CG 4.45Å
658	S	88.8	Confident	92.4	Very high	113 Å²	113	57.6 Å²	57.6	79%	0.79	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	122.6	179.4	-73.4	0	0	0	0	111.7
659	G	90.5	Very high	92.3	Very high	66 Å²	66	56.8 Å²	56.8	68%	0.68	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-8.5	-179.8	0	0	0	0	0	115.1	F657	F657-G659 PolarHBondContact O-N 2.88Å
660	Y	94.1	Very high	92.2	Very high	66 Å²	66	57.2 Å²	57.2	26%	0.259	29%	0.294	S	S	.	.			trans	-90.5	134.3	169.7	-178.2	-109.9	0	0	0	110.2	T653 L654 F657 T690 F691 D755	T653-Y660 HydrophobicContact CG2-CD1 3.71Å; T653-Y660 HydrophobicContact CG2-CE1 3.88Å; L654-Y660 WeakPolarHBondContact CD2-O 3.38Å; F657-Y660 WeakPolarHBondContact O-CB 3.5Å; F657-Y660 PolarHBondContact O-N 3.3Å; Y660-T690 HydrophobicContact CE2-CG2 3.87Å; Y660-T690 WeakPolarHBondContact OH-CB 3.24Å; Y660-T690 WeakPolarHBondContact OH-CG2 3.42Å; Y660-F691 AromaticContact CE1-CD1 3.83Å; Y660-F691 HydrophobicContact CE1-CD1 3.83Å; Y660-F691 AromaticContact CE1-CE1 3.78Å; Y660-F691 HydrophobicContact CE1-CE1 3.78Å; Y660-D755 WeakPolarHBondContact OH-CB 3.39Å; Y660-D755 PolarHBondContact OH-OD2 3.03Å
661	Y	90.9	Very high	92.3	Very high	192 Å²	192	56.8 Å²	56.8	75%	0.753	29%	0.291	S	S	*	.			trans	-121.9	122.7	178.6	-65.7	-90.9	0	0	0	109.9	L654	L654-Y661 HydrophobicContact CD2-CD1 3.63Å; L654-Y661 HydrophobicContact CD2-CE1 4.23Å; L654-Y661 HydrophobicContact CD2-CG 4.16Å
662	T	91.8	Very high	92.3	Very high	19 Å²	19	54.8 Å²	54.8	12%	0.117	28%	0.278	C	S	.	.			trans	-114.8	149.3	178.6	-179.9	0	0	0	0	111.2	T653 G664 F691 D755	T653-T662 HydrophobicContact CG2-CG2 4.05Å; T662-G664 PolarHBondContact OG1-N 3.16Å; T662-F691 HydrophobicContact CG2-CE1 4.34Å; T662-F691 HydrophobicContact CG2-CZ 4.3Å; T662-D755 WeakPolarHBondContact CB-OD2 3.13Å; T662-D755 PolarHBondContact OG1-OD2 3.04Å
663	K	90.3	Very high	92.4	Very high	182 Å²	182	56.3 Å²	56.3	79%	0.791	29%	0.285	S	S	*	.			trans	-97.2	3	168.4	-68.3	-176.9	179	177	0	112.3
664	G	88.8	Confident	92.4	Very high	3 Å²	3	56.7 Å²	56.7	3%	0.031	29%	0.286	C	S	.	.			trans	68.2	31.7	-177.6	0	0	0	0	0	113.2	S650 T662	S650-G664 WeakPolarHBondContact OG-CA 3.42Å; S650-G664 PolarHBondContact OG-N 3.36Å; T662-G664 PolarHBondContact OG1-N 3.16Å
665	Y	92.3	Very high	92.4	Very high	123 Å²	123	54.2 Å²	54.2	48%	0.482	27%	0.274	S	S	.	.			trans	-83.3	129.2	-178.9	179.5	-108.2	0	0	0	110.5	L667 V754 D755	Y665-L667 HydrophobicContact CE1-CD1 4.35Å; Y665-L667 HydrophobicContact CE1-CD2 4.32Å; Y665-L667 HydrophobicContact CE1-CG 3.87Å; Y665-L667 WeakPolarHBondContact OH-CD2 3.43Å; Y665-V754 WeakPolarHBondContact O-CA 3.48Å; Y665-V754 WeakPolarHBondContact O-CG1 3.42Å; Y665-D755 PolarHBondContact O-N 3.1Å
666	A	92	Very high	92.4	Very high	3 Å²	3	53.7 Å²	53.7	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	126.8	177.9	0	0	0	0	0	110.8	L642 L645 N669 F753 V754	L642-A666 HydrophobicContact CD2-CB 4.18Å; L642-A666 WeakPolarHBondContact CD2-O 3.26Å; L645-A666 HydrophobicContact CD1-CB 3.61Å; A666-N669 WeakPolarHBondContact CB-OD1 3.45Å; A666-N669 PolarHBondContact O-ND2 3.07Å; A666-N669 VanDerWaalsContact O-ND2 3.11Å; A666-F753 WeakPolarHBondContact CA-O 3.23Å; A666-F753 WeakPolarHBondContact CB-O 3.45Å; A666-V754 HydrophobicContact CB-CG2 4.35Å
667	L	86.3	Confident	92.2	Very high	109 Å²	109	60.5 Å²	60.5	57%	0.571	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	-29	175.8	-77.6	172.8	0	0	0	112.5	Y665 P756	Y665-L667 HydrophobicContact CE1-CD1 4.35Å; Y665-L667 HydrophobicContact CE1-CD2 4.32Å; Y665-L667 HydrophobicContact CE1-CG 3.87Å; Y665-L667 WeakPolarHBondContact OH-CD2 3.43Å; L667-P756 HydrophobicContact CB-CG 4.41Å; L667-P756 HydrophobicContact CD1-CG 4.09Å; L667-P756 HydrophobicContact CG-CG 4.29Å
668	M	87.9	Confident	92	Very high	59 Å²	59	64.8 Å²	64.8	29%	0.291	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	98.6	-175.9	-58.9	-71.1	-79.3	0	0	108.7	F670 S752 F753	M668-F670 HydrophobicContact CB-CD1 4.12Å; M668-F670 HydrophobicContact CB-CE1 3.87Å; M668-S752 WeakPolarHBondContact O-CA 3.14Å; M668-F753 HydrophobicContact CB-CB 4.14Å; M668-F753 HydrophobicContact CB-CD2 3.81Å; M668-F753 HydrophobicContact CB-CG 4.25Å; M668-F753 HydrophobicContact CG-CD2 4.18Å; M668-F753 PolarHBondContact O-N 3.12Å; M668-F753 VanDerWaalsContact O-N 3.08Å
669	N	94.6	Very high	92	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.011	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115	175.5	-54	-56.6	0	0	0	107.9	H631 M632 D638 W641 A666 S752	H631-N669 CarbonylContact C-O 3.6Å; H631-N669 WeakPolarHBondContact CA-O 3.29Å; M632-N669 HydrophobicContact CB-CB 4.11Å; M632-N669 HydrophobicContact CG-CB 3.63Å; M632-N669 PolarHBondContact N-O 3.35Å; D638-N669 PolarHBondContact OD1-ND2 3.07Å; W641-N669 HydrophobicContact CG-CB 4.44Å; A666-N669 WeakPolarHBondContact CB-OD1 3.45Å; A666-N669 PolarHBondContact O-ND2 3.07Å; A666-N669 VanDerWaalsContact O-ND2 3.11Å; N669-S752 WeakPolarHBondContact OD1-CB 3.24Å; N669-S752 PolarHBondContact OD1-OG 3.08Å
670	F	95.6	Very high	92.1	Very high	10 Å²	10	58.6 Å²	58.6	4%	0.044	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.2	-172.1	54	-84.4	0	0	0	112	D629 I630 H631 M668 V672 V751 F753	D629-F670 HydrophobicContact CB-CB 4.42Å; D629-F670 HydrophobicContact CB-CD2 4.04Å; I630-F670 CarbonylContact O-C 3.58Å; I630-F670 VanDerWaalsContact O-CA 3.28Å; I630-F670 WeakPolarHBondContact O-CA 3.2Å; I630-F670 WeakPolarHBondContact O-CB 3.33Å; H631-F670 AromaticContact CE1-CD1 3.98Å; M668-F670 HydrophobicContact CB-CD1 4.12Å; M668-F670 HydrophobicContact CB-CE1 3.87Å; F670-V672 HydrophobicContact CD2-CG2 3.54Å; F670-V672 HydrophobicContact CE2-CG2 3.5Å; F670-V672 VanDerWaalsContact CE2-CG2 3.5Å; F670-V751 HydrophobicContact CD2-CB 4.4Å; F670-V751 HydrophobicContact CE1-CB 4.47Å; F670-V751 HydrophobicContact CE1-CG1 4.46Å; F670-V751 HydrophobicContact CE2-CB 3.91Å; F670-V751 HydrophobicContact CE2-CG1 4.32Å; F670-V751 HydrophobicContact CE2-CG2 4.42Å; F670-V751 HydrophobicContact CZ-CB 3.94Å; F670-V751 HydrophobicContact CZ-CG1 3.91Å; F670-V751 PolarHBondContact N-O 3.48Å; F670-V751 VanDerWaalsContact N-O 3.12Å; F670-V751 PolarHBondContact O-N 3.46Å; F670-F753 HydrophobicContact CE1-CD2 4.41Å; F670-F753 HydrophobicContact CE1-CE2 4.19Å; F670-F753 HydrophobicContact CE1-CZ 4.33Å; F670-F753 HydrophobicContact CZ-CE1 4.34Å; F670-F753 HydrophobicContact CZ-CE2 4.15Å; F670-F753 AromaticContact CZ-CZ 3.92Å; F670-F753 HydrophobicContact CZ-CZ 3.92Å
671	V	97.6	Very high	92	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.1	170.5	172.9	0	0	0	0	108.4	I598 M602 W608 D629 I630 M632 L697 Y748 I749 A750	I598-V671 HydrophobicContact CG2-CG2 4.08Å; M602-V671 HydrophobicContact CE-CB 4.19Å; M602-V671 HydrophobicContact CE-CG2 3.68Å; M602-V671 HydrophobicContact CG-CB 4.03Å; M602-V671 HydrophobicContact CG-CG1 4.23Å; M602-V671 HydrophobicContact CG-CG2 4.1Å; M602-V671 HydrophobicContact SD-CB 4.27Å; M602-V671 HydrophobicContact SD-CG2 4.36Å; W608-V671 HydrophobicContact CH2-CG1 4.18Å; W608-V671 HydrophobicContact CZ3-CG1 4.47Å; D629-V671 WeakPolarHBondContact CA-O 3.44Å; D629-V671 WeakPolarHBondContact CB-O 3.17Å; I630-V671 PolarHBondContact N-O 2.75Å; I630-V671 VanDerWaalsContact N-O 3.07Å; I630-V671 PolarHBondContact O-N 2.8Å; M632-V671 HydrophobicContact CE-CG2 3.71Å; V671-L697 HydrophobicContact CG1-CD1 3.82Å; V671-L697 HydrophobicContact CG2-CD1 3.96Å; V671-Y748 HydrophobicContact CG1-CD1 4.39Å; V671-I749 CarbonylContact C-O 3.59Å; V671-I749 VanDerWaalsContact CA-O 3.29Å; V671-I749 WeakPolarHBondContact CA-O 3.26Å; V671-A750 HydrophobicContact CG2-CB 4.1Å
672	V	95.9	Very high	92.1	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.7	177.6	-173.7	0	0	0	0	109.9	T627 D629 F670 Y674 Y748 I749 V751	T627-V672 HydrophobicContact CG2-CG1 4Å; T627-V672 HydrophobicContact CG2-CG2 4.27Å; D629-V672 HydrophobicContact CB-CG2 4.3Å; F670-V672 HydrophobicContact CD2-CG2 3.54Å; F670-V672 HydrophobicContact CE2-CG2 3.5Å; F670-V672 VanDerWaalsContact CE2-CG2 3.5Å; V672-Y674 HydrophobicContact CB-CE2 4.18Å; V672-Y674 HydrophobicContact CG1-CD1 4.49Å; V672-Y674 HydrophobicContact CG1-CD2 4.04Å; V672-Y674 HydrophobicContact CG1-CE1 4.04Å; V672-Y674 HydrophobicContact CG1-CE2 3.55Å; V672-Y674 HydrophobicContact CG1-CG 4.49Å; V672-Y748 WeakPolarHBondContact O-CA 3.41Å; V672-I749 HydrophobicContact CB-CD1 4.35Å; V672-I749 HydrophobicContact CB-CG1 3.84Å; V672-I749 HydrophobicContact CG2-CG1 4.33Å; V672-I749 PolarHBondContact N-O 3.2Å; V672-I749 PolarHBondContact O-N 2.74Å; V672-I749 VanDerWaalsContact O-N 3.15Å; V672-V751 HydrophobicContact CG2-CG2 4.36Å
673	K	96	Very high	92	Very high	32 Å²	32	57.7 Å²	57.7	14%	0.139	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.6	174.4	179.4	177	-173.1	165.2	0	110.3	E603 W608 D628 T675 T746 Y748	E603-K673 VanDerWaalsContact CD-NZ 3.31Å; E603-K673 WeakPolarHBondContact OE1-CE 3.49Å; E603-K673 IonicContact OE1-NZ 3.06Å; E603-K673 PolarHBondContact OE1-NZ 3.49Å; E603-K673 IonicContact OE2-NZ 3.96Å; E603-K673 PolarHBondContact OE2-NZ 3.17Å; W608-K673 HydrophobicContact CD2-CB 4.26Å; W608-K673 HydrophobicContact CD2-CD 3.87Å; W608-K673 HydrophobicContact CE3-CB 3.68Å; W608-K673 HydrophobicContact CE3-CD 4.16Å; W608-K673 HydrophobicContact CG-CD 4.42Å; W608-K673 HydrophobicContact CH2-CB 3.82Å; W608-K673 HydrophobicContact CH2-CD 4.23Å; W608-K673 HydrophobicContact CZ2-CB 4.36Å; W608-K673 HydrophobicContact CZ2-CD 3.91Å; W608-K673 HydrophobicContact CZ3-CB 3.44Å; W608-K673 VanDerWaalsContact CZ3-CB 3.44Å; W608-K673 HydrophobicContact CZ3-CD 4.34Å; D628-K673 PolarHBondContact O-N 2.79Å; K673-T675 HydrophobicContact CG-CG2 4.28Å; K673-T746 HydrophobicContact CD-CG2 4.39Å; K673-T746 HydrophobicContact CG-CG2 3.76Å; K673-Y748 HydrophobicContact CB-CD1 4.15Å; K673-Y748 HydrophobicContact CB-CE1 3.94Å; K673-Y748 HydrophobicContact CD-CE1 3.84Å; K673-Y748 WeakPolarHBondContact CE-OH 3.21Å; K673-Y748 HydrophobicContact CG-CD1 4.29Å; K673-Y748 HydrophobicContact CG-CE1 3.69Å
674	Y	95.4	Very high	92.1	Very high	7 Å²	7	52 Å²	52	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.8	171.4	-62	-78.7	0	0	0	111.1	V672 Q679 L682 T742 T746 R747 I749	V672-Y674 HydrophobicContact CB-CE2 4.18Å; V672-Y674 HydrophobicContact CG1-CD1 4.49Å; V672-Y674 HydrophobicContact CG1-CD2 4.04Å; V672-Y674 HydrophobicContact CG1-CE1 4.04Å; V672-Y674 HydrophobicContact CG1-CE2 3.55Å; V672-Y674 HydrophobicContact CG1-CG 4.49Å; Y674-Q679 CarbonylContact C-O 3.57Å; Y674-Q679 VanDerWaalsContact CA-O 3.23Å; Y674-Q679 WeakPolarHBondContact CA-O 3.34Å; Y674-Q679 HydrophobicContact CD1-CG 4.32Å; Y674-Q679 WeakPolarHBondContact CD1-O 3.45Å; Y674-Q679 HydrophobicContact CE1-CG 4.43Å; Y674-L682 HydrophobicContact CE1-CB 4.23Å; Y674-T742 WeakPolarHBondContact CB-OG1 3.24Å; Y674-T746 WeakPolarHBondContact O-CA 3.43Å; Y674-R747 HydrophobicContact CD2-CG 4.48Å; Y674-R747 PolarHBondContact N-O 2.85Å; Y674-R747 PolarHBondContact O-N 2.89Å; Y674-I749 HydrophobicContact CE2-CD1 3.76Å; Y674-I749 HydrophobicContact CE2-CG1 4.1Å
675	T	94.1	Very high	92.3	Very high	23 Å²	23	52.9 Å²	52.9	14%	0.141	26%	0.255	C	S	.	.			trans	-137.1	146.5	174.2	55.5	0	0	0	0	110.4	K673 N677 R678 Q679 A680 T746	K673-T675 HydrophobicContact CG-CG2 4.28Å; T675-N677 PolarHBondContact O-N 3.41Å; T675-N677 VanDerWaalsContact O-N 3.14Å; T675-R678 PolarHBondContact O-N 2.87Å; T675-R678 WeakPolarHBondContact OG1-CB 3.32Å; T675-Q679 PolarHBondContact N-O 2.83Å; T675-Q679 CarbonylContact O-C 3.14Å; T675-Q679 PolarHBondContact O-N 2.85Å; T675-A680 WeakPolarHBondContact O-CA 3.39Å; T675-A680 PolarHBondContact O-N 3.32Å; T675-T746 HydrophobicContact CG2-CG2 3.72Å
676	P	92.4	Very high	92.2	Very high	52 Å²	52	50.9 Å²	50.9	34%	0.338	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.9	179.3	-26.8	33.3	0	0	0	113.9	G745	P676-G745 WeakPolarHBondContact CD-O 3.23Å
677	N	88.6	Confident	92.1	Very high	166 Å²	166	51 Å²	51	89%	0.888	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-10.2	-170.3	-62.9	-23.5	0	0	0	114.5	T675	T675-N677 PolarHBondContact O-N 3.41Å; T675-N677 VanDerWaalsContact O-N 3.14Å
678	R	87.4	Confident	92.3	Very high	131 Å²	131	49 Å²	49	49%	0.494	25%	0.245	S	C	.	.	S	Bend	trans	-123.3	-70	-176.3	-167.1	173.9	-177.5	-162.1	7.4	111.7	W608 G610 D628 T675	W608-R678 PolarHBondContact O-NH2 3.11Å; G610-R678 VanDerWaalsContact CA-CZ 3.45Å; G610-R678 VanDerWaalsContact N-NH2 3.2Å; D628-R678 VanDerWaalsContact CG-NH1 3.26Å; D628-R678 IonicContact OD1-CZ 2.78Å; D628-R678 IonicContact OD1-NE 3.2Å; D628-R678 IonicContact OD1-NH1 3.91Å; D628-R678 PolarHBondContact OD1-NH1 2.73Å; D628-R678 IonicContact OD1-NH2 3.62Å; D628-R678 PolarHBondContact OD1-NH2 2.87Å; D628-R678 VanDerWaalsContact OD2-CD 3.24Å; D628-R678 WeakPolarHBondContact OD2-CD 3.37Å; D628-R678 IonicContact OD2-CZ 2.64Å; D628-R678 VanDerWaalsContact OD2-CZ 3.27Å; D628-R678 IonicContact OD2-NE 3.83Å; D628-R678 PolarHBondContact OD2-NE 3.2Å; D628-R678 IonicContact OD2-NH1 3.1Å; D628-R678 PolarHBondContact OD2-NH1 2.82Å; T675-R678 PolarHBondContact O-N 2.87Å; T675-R678 WeakPolarHBondContact OG1-CB 3.32Å
679	Q	90.3	Very high	92.5	Very high	27 Å²	27	46.2 Å²	46.2	13%	0.126	23%	0.232	C	C	.	.			trans	-136	102.9	173.4	-176.6	168.5	3	0	0	108.5	P626 D628 Y674 T675	P626-Q679 PolarHBondContact O-NE2 3.15Å; D628-Q679 HydrophobicContact CB-CB 4.34Å; Y674-Q679 CarbonylContact C-O 3.57Å; Y674-Q679 VanDerWaalsContact CA-O 3.23Å; Y674-Q679 WeakPolarHBondContact CA-O 3.34Å; Y674-Q679 HydrophobicContact CD1-CG 4.32Å; Y674-Q679 WeakPolarHBondContact CD1-O 3.45Å; Y674-Q679 HydrophobicContact CE1-CG 4.43Å; T675-Q679 PolarHBondContact N-O 2.83Å; T675-Q679 CarbonylContact O-C 3.14Å; T675-Q679 PolarHBondContact O-N 2.85Å
680	A	91.6	Very high	92.5	Very high	22 Å²	22	49.2 Å²	49.2	18%	0.182	25%	0.25	C	S	.	.			trans	-88.8	-27.2	-174.7	0	0	0	0	0	113	T675 P741 T742	T675-A680 WeakPolarHBondContact O-CA 3.39Å; T675-A680 PolarHBondContact O-N 3.32Å; A680-P741 CarbonylContact O-C 3.53Å; A680-P741 VanDerWaalsContact O-CA 3.32Å; A680-P741 WeakPolarHBondContact O-CA 3.4Å; A680-T742 PolarHBondContact O-N 2.64Å
681	F	92	Very high	92.5	Very high	119 Å²	119	49 Å²	49	52%	0.522	25%	0.249	S	C	.	.			trans	-143.2	170.2	-172.6	73.5	-82.9	0	0	0	111.2	G739 P741	F681-G739 WeakPolarHBondContact CA-O 3.49Å; F681-G739 WeakPolarHBondContact CB-O 3.38Å; F681-P741 HydrophobicContact CB-CB 4.14Å; F681-P741 HydrophobicContact CB-CG 3.94Å
682	L	92.3	Very high	92.5	Very high	16 Å²	16	49 Å²	49	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.4	173	-166.9	60.2	0	0	0	109.6	V625 T627 Y674 H685 G739	V625-L682 HydrophobicContact CG1-CD1 3.67Å; V625-L682 HydrophobicContact CG1-CG 4.17Å; T627-L682 HydrophobicContact CG2-CD1 3.67Å; T627-L682 HydrophobicContact CG2-CD2 3.8Å; T627-L682 HydrophobicContact CG2-CG 4.37Å; Y674-L682 HydrophobicContact CE1-CB 4.23Å; L682-H685 WeakPolarHBondContact CD2-CE1 3.29Å; L682-G739 PolarHBondContact N-O 3.37Å; L682-G739 PolarHBondContact O-N 3.26Å
683	R	91.5	Very high	92.5	Very high	123 Å²	123	49 Å²	49	46%	0.464	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	157.6	-177.4	66	-177.4	179.9	-173.3	0.6	112.2	T624 V625 H685	T624-R683 PolarHBondContact O-NH2 3.33Å; V625-R683 HydrophobicContact CG1-CG 4.33Å; R683-H685 PolarHBondContact O-N 2.98Å; R683-H685 PolarHBondContact O-ND1 2.73Å
684	P	92.5	Very high	92.6	Very high	64 Å²	64	48.2 Å²	48.2	42%	0.416	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	127.8	176.1	-25.1	32.2	0	0	0	112.6	H712 L736 H737 E738	P684-H712 WeakPolarHBondContact CG-NE2 3.34Å; P684-L736 HydrophobicContact CB-CG 4.43Å; P684-H737 CarbonylContact C-O 3.49Å; P684-H737 VanDerWaalsContact CA-O 3.27Å; P684-H737 WeakPolarHBondContact CA-O 3.35Å; P684-E738 HydrophobicContact CB-CB 4.46Å; P684-E738 HydrophobicContact CG-CB 4.04Å
685	H	91.6	Very high	92.7	Very high	20 Å²	20	47.9 Å²	47.9	9%	0.093	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	172	-178.7	64	-67.3	0	0	0	113	V625 L682 R683 D687 H737	V625-H685 HydrophobicContact CG1-CB 4.27Å; V625-H685 HydrophobicContact CG2-CB 3.84Å; L682-H685 WeakPolarHBondContact CD2-CE1 3.29Å; R683-H685 PolarHBondContact O-N 2.98Å; R683-H685 PolarHBondContact O-ND1 2.73Å; H685-D687 IonicContact CD2-OD1 3.42Å; H685-D687 IonicContact NE2-OD1 2.73Å; H685-D687 PolarHBondContact NE2-OD1 3Å; H685-H737 AromaticContact CE1-CD2 3.99Å; H685-H737 AromaticContact CE1-NE2 3.47Å; H685-H737 PolarHBondContact CE1-NE2 2.83Å; H685-H737 PolarHBondContact N-O 3.43Å; H685-H737 PolarHBondContact ND1-O 3.06Å; H685-H737 AromaticContact NE2-CE1 3.8Å; H685-H737 AromaticContact NE2-NE2 3.48Å; H685-H737 PolarHBondContact NE2-NE2 2.83Å; H685-H737 PolarHBondContact O-N 2.91Å; H685-H737 VanDerWaalsContact O-N 3.1Å
686	H	90.5	Very high	92.9	Very high	81 Å²	81	47 Å²	47	38%	0.375	24%	0.24	S	C	.	.			trans	-110.4	148.9	165.9	-76	-67.8	0	0	0	109.3	G731 L736	H686-G731 PolarHBondContact ND1-O 3.32Å; H686-L736 PolarHBondContact CE1-N 3Å; H686-L736 VanDerWaalsContact CE1-N 3.32Å
687	D	89.8	Confident	93.2	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.032	22%	0.224	C	C	.	.			trans	-86.2	148.3	174.9	-61.5	-30.3	0	0	0	110.4	H685 S689 T692 H729 G731 R732 H737 F753	H685-D687 IonicContact CD2-OD1 3.42Å; H685-D687 IonicContact NE2-OD1 2.73Å; H685-D687 PolarHBondContact NE2-OD1 3Å; D687-S689 PolarHBondContact O-N 3.49Å; D687-T692 VanDerWaalsContact CB-OG1 3.32Å; D687-T692 WeakPolarHBondContact CB-OG1 3.22Å; D687-T692 VanDerWaalsContact CG-OG1 3.29Å; D687-T692 VanDerWaalsContact OD2-CB 3.24Å; D687-T692 WeakPolarHBondContact OD2-CB 3.22Å; D687-T692 WeakPolarHBondContact OD2-CG2 3.29Å; D687-T692 PolarHBondContact OD2-OG1 3.47Å; D687-H729 IonicContact OD2-CE1 2.74Å; D687-G731 PolarHBondContact N-O 3.37Å; D687-G731 CarbonylContact O-C 3.58Å; D687-R732 WeakPolarHBondContact O-CG 3.45Å; D687-H737 IonicContact OD1-CE1 3.69Å; D687-H737 PolarHBondContact OD1-CE1 2.84Å; D687-H737 IonicContact OD1-NE2 3.01Å; D687-H737 IonicContact OD2-CE1 2.62Å; D687-H737 PolarHBondContact OD2-CE1 3.41Å; D687-H737 VanDerWaalsContact OD2-CE1 3.29Å; D687-H737 IonicContact OD2-NE2 2.66Å; D687-F753 HydrophobicContact CB-CD1 3.93Å; D687-F753 HydrophobicContact CB-CE1 3.7Å; D687-F753 HydrophobicContact CB-CE2 4.48Å; D687-F753 HydrophobicContact CB-CG 4.43Å; D687-F753 HydrophobicContact CB-CZ 3.99Å; D687-F753 WeakPolarHBondContact OD1-CE1 3.16Å; D687-F753 WeakPolarHBondContact OD1-CZ 3.46Å
688	S	89.9	Confident	93.6	Very high	68 Å²	68	37.2 Å²	37.2	48%	0.476	19%	0.185	S	C	.	.	S	Bend	trans	-83.9	60.3	170.3	-172.1	0	0	0	0	110.5	R732 P756	S688-R732 PolarHBondContact OG-NH2 3.36Å; S688-P756 WeakPolarHBondContact O-CA 3.3Å; S688-P756 WeakPolarHBondContact O-CB 3.49Å
689	S	92.8	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-140.4	159	-179.5	65.5	0	0	0	0	111.1	D687 F691 T692 G731 R732 V754	D687-S689 PolarHBondContact O-N 3.49Å; S689-F691 VanDerWaalsContact CB-O 3.29Å; S689-F691 WeakPolarHBondContact CB-O 3.24Å; S689-F691 VanDerWaalsContact OG-C 3.31Å; S689-F691 PolarHBondContact OG-O 3.1Å; S689-T692 PolarHBondContact OG-OG1 3.01Å; S689-G731 WeakPolarHBondContact OG-CA 3.42Å; S689-R732 WeakPolarHBondContact O-CG 3.35Å; S689-V754 WeakPolarHBondContact CB-O 3.27Å
690	T	94.9	Very high	94	Very high	65 Å²	65	33.9 Å²	33.9	40%	0.399	18%	0.176	S	C	.	.	S	Bend	trans	-70.4	-48.3	161.7	-61.9	0	0	0	0	109.1	Y660 P730 G731 V754 D755	Y660-T690 HydrophobicContact CE2-CG2 3.87Å; Y660-T690 WeakPolarHBondContact OH-CB 3.24Å; Y660-T690 WeakPolarHBondContact OH-CG2 3.42Å; T690-P730 WeakPolarHBondContact O-CA 3.48Å; T690-G731 PolarHBondContact O-N 3.42Å; T690-V754 PolarHBondContact N-O 3.48Å; T690-D755 VanDerWaalsContact CB-O 3.32Å; T690-D755 WeakPolarHBondContact CB-O 3.47Å; T690-D755 PolarHBondContact N-O 3.5Å; T690-D755 PolarHBondContact OG1-O 3.42Å
691	F	96.1	Very high	94.1	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.6	170.4	72.2	-83.7	0	0	0	111.1	I649 T653 Y660 T662 S689 I693 M728 H729 V754	I649-F691 HydrophobicContact CG2-CE2 4.1Å; T653-F691 HydrophobicContact CG2-CD1 4.28Å; T653-F691 HydrophobicContact CG2-CE1 3.89Å; T653-F691 HydrophobicContact CG2-CE2 4.29Å; T653-F691 HydrophobicContact CG2-CZ 3.86Å; T653-F691 WeakPolarHBondContact OG1-CZ 3.45Å; Y660-F691 AromaticContact CE1-CD1 3.83Å; Y660-F691 HydrophobicContact CE1-CD1 3.83Å; Y660-F691 AromaticContact CE1-CE1 3.78Å; Y660-F691 HydrophobicContact CE1-CE1 3.78Å; T662-F691 HydrophobicContact CG2-CE1 4.34Å; T662-F691 HydrophobicContact CG2-CZ 4.3Å; S689-F691 VanDerWaalsContact CB-O 3.29Å; S689-F691 WeakPolarHBondContact CB-O 3.24Å; S689-F691 VanDerWaalsContact OG-C 3.31Å; S689-F691 PolarHBondContact OG-O 3.1Å; F691-I693 HydrophobicContact CD2-CG2 4.26Å; F691-I693 HydrophobicContact CE2-CG2 4.07Å; F691-M728 HydrophobicContact CD2-CE 4.36Å; F691-M728 HydrophobicContact CD2-CG 3.82Å; F691-M728 HydrophobicContact CD2-SD 4.06Å; F691-M728 HydrophobicContact CE2-CE 4.01Å; F691-M728 HydrophobicContact CE2-CG 4.41Å; F691-M728 HydrophobicContact CE2-SD 4.2Å; F691-H729 CarbonylContact C-O 3.6Å; F691-H729 VanDerWaalsContact CA-O 3.27Å; F691-H729 WeakPolarHBondContact CA-O 3.15Å; F691-H729 WeakPolarHBondContact CB-O 3.46Å; F691-V754 HydrophobicContact CD1-CB 4.19Å; F691-V754 HydrophobicContact CD1-CG1 4.47Å; F691-V754 HydrophobicContact CD2-CB 4.22Å; F691-V754 HydrophobicContact CD2-CG2 4.45Å; F691-V754 HydrophobicContact CE1-CB 3.71Å; F691-V754 HydrophobicContact CE1-CG1 3.56Å; F691-V754 HydrophobicContact CE2-CB 3.77Å; F691-V754 HydrophobicContact CE2-CG1 4.09Å; F691-V754 HydrophobicContact CE2-CG2 3.88Å; F691-V754 HydrophobicContact CG-CB 4.44Å; F691-V754 HydrophobicContact CZ-CB 3.51Å; F691-V754 HydrophobicContact CZ-CG1 3.35Å; F691-V754 HydrophobicContact CZ-CG2 4.02Å; F691-V754 PolarHBondContact N-O 2.92Å; F691-V754 PolarHBondContact O-N 3.48Å
692	T	96.4	Very high	94.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141	177.6	-64.1	0	0	0	0	109.1	D687 S689 M728 H729 V751 S752 F753	D687-T692 VanDerWaalsContact CB-OG1 3.32Å; D687-T692 WeakPolarHBondContact CB-OG1 3.22Å; D687-T692 VanDerWaalsContact CG-OG1 3.29Å; D687-T692 VanDerWaalsContact OD2-CB 3.24Å; D687-T692 WeakPolarHBondContact OD2-CB 3.22Å; D687-T692 WeakPolarHBondContact OD2-CG2 3.29Å; D687-T692 PolarHBondContact OD2-OG1 3.47Å; S689-T692 PolarHBondContact OG-OG1 3.01Å; T692-M728 VanDerWaalsContact O-CA 3.32Å; T692-M728 WeakPolarHBondContact O-CA 3.18Å; T692-H729 PolarHBondContact N-O 3.14Å; T692-H729 PolarHBondContact O-N 3.27Å; T692-V751 HydrophobicContact CG2-CG1 3.89Å; T692-S752 WeakPolarHBondContact CA-O 3.34Å; T692-F753 HydrophobicContact CG2-CD1 3.86Å; T692-F753 HydrophobicContact CG2-CE1 3.91Å; T692-F753 WeakPolarHBondContact OG1-CD1 3.5Å
693	I	97.2	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.7	162.4	63.4	168.1	0	0	0	110.1	L645 I649 F691 I695 F727 M728 V751 S752	L645-I693 HydrophobicContact CD2-CD1 3.36Å; L645-I693 HydrophobicContact CD2-CG1 4.45Å; I649-I693 HydrophobicContact CD1-CD1 3.89Å; I649-I693 HydrophobicContact CG1-CD1 3.78Å; I649-I693 HydrophobicContact CG2-CD1 4.24Å; I649-I693 HydrophobicContact CG2-CG2 3.73Å; F691-I693 HydrophobicContact CD2-CG2 4.26Å; F691-I693 HydrophobicContact CE2-CG2 4.07Å; I693-I695 HydrophobicContact CD1-CD1 4.31Å; I693-F727 WeakPolarHBondContact CA-O 3.47Å; I693-M728 HydrophobicContact CG2-CB 4.23Å; I693-M728 HydrophobicContact CG2-CE 3.87Å; I693-M728 HydrophobicContact CG2-CG 4.18Å; I693-V751 WeakPolarHBondContact O-CA 3.48Å; I693-S752 PolarHBondContact N-O 3.32Å; I693-S752 VanDerWaalsContact N-O 3.13Å; I693-S752 PolarHBondContact O-N 3.29Å; I693-S752 VanDerWaalsContact O-N 3.09Å
694	N	97	Very high	94.5	Very high	16 Å²	16	34.3 Å²	34.3	9%	0.086	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	114.4	177.9	-172.8	-41	0	0	0	108.8	S726 F727 I749 A750	N694-S726 CarbonylContact O-C 3.59Å; N694-S726 VanDerWaalsContact O-CA 3.31Å; N694-S726 WeakPolarHBondContact O-CA 3.42Å; N694-F727 HydrophobicContact CB-CD1 4.08Å; N694-F727 HydrophobicContact CB-CD2 4.02Å; N694-F727 HydrophobicContact CB-CE1 3.59Å; N694-F727 HydrophobicContact CB-CE2 3.51Å; N694-F727 HydrophobicContact CB-CG 4.29Å; N694-F727 HydrophobicContact CB-CZ 3.3Å; N694-F727 VanDerWaalsContact CG-CE1 3.46Å; N694-F727 PolarHBondContact N-O 3.08Å; N694-F727 VanDerWaalsContact ND2-CZ 3.34Å; N694-F727 WeakPolarHBondContact ND2-CZ 3.23Å; N694-F727 WeakPolarHBondContact O-CD1 3.46Å; N694-F727 PolarHBondContact O-N 3.33Å; N694-I749 WeakPolarHBondContact ND2-CD1 3.47Å; N694-A750 WeakPolarHBondContact CA-O 3.19Å
695	I	98.1	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.1	-174.6	-48.5	177.3	0	0	0	108.7	V589 L590 W641 F644 I693 L697 W725 I749 A750	V589-I695 HydrophobicContact CG1-CD1 3.97Å; V589-I695 HydrophobicContact CG1-CG1 4.32Å; V589-I695 HydrophobicContact CG1-CG2 4.23Å; L590-I695 HydrophobicContact CD1-CD1 4.27Å; L590-I695 HydrophobicContact CD1-CG2 4.06Å; L590-I695 HydrophobicContact CG-CG2 4.41Å; W641-I695 HydrophobicContact CH2-CD1 3.92Å; W641-I695 HydrophobicContact CZ2-CD1 4.12Å; F644-I695 HydrophobicContact CE1-CD1 4.01Å; F644-I695 HydrophobicContact CZ-CD1 4.03Å; I693-I695 HydrophobicContact CD1-CD1 4.31Å; I695-L697 HydrophobicContact CG2-CD2 4.39Å; I695-W725 WeakPolarHBondContact CA-O 3.15Å; I695-I749 CarbonylContact O-C 3.55Å; I695-I749 WeakPolarHBondContact O-CA 3.32Å; I695-A750 HydrophobicContact CB-CB 4.3Å; I695-A750 PolarHBondContact N-O 3.39Å; I695-A750 PolarHBondContact O-N 2.64Å
696	A	97.9	Very high	94.7	Very high	5 Å²	5	35 Å²	35	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.3	174.1	0	0	0	0	0	110.9	P721 R722 G724 W725	A696-P721 HydrophobicContact CB-CB 3.87Å; A696-R722 WeakPolarHBondContact CB-O 3.45Å; A696-G724 PolarHBondContact O-N 3.47Å; A696-W725 PolarHBondContact N-O 3.38Å
697	L	98.1	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.183	C	C	.	.			trans	-102.4	-11.1	-176.1	-57.5	179.8	0	0	0	113.5	L590 C595 I598 V599 V671 I695 K723 Y748 A750	L590-L697 HydrophobicContact CD1-CD2 4.3Å; C595-L697 HydrophobicContact CB-CB 4.33Å; C595-L697 HydrophobicContact CB-CD2 4.26Å; C595-L697 VanDerWaalsContact CB-O 3.28Å; C595-L697 WeakPolarHBondContact CB-O 3.25Å; I598-L697 HydrophobicContact CG2-CD1 4.05Å; V599-L697 HydrophobicContact CG2-CB 3.7Å; V599-L697 HydrophobicContact CG2-CD1 3.98Å; V599-L697 HydrophobicContact CG2-CG 4.5Å; V671-L697 HydrophobicContact CG1-CD1 3.82Å; V671-L697 HydrophobicContact CG2-CD1 3.96Å; I695-L697 HydrophobicContact CG2-CD2 4.39Å; L697-K723 WeakPolarHBondContact O-CE 3.21Å; L697-Y748 PolarHBondContact N-O 3.4Å; L697-A750 HydrophobicContact CD1-CB 4.11Å; L697-A750 HydrophobicContact CD2-CB 4.15Å; L697-A750 HydrophobicContact CG-CB 4.32Å
698	N	96.9	Very high	94.9	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.064	18%	0.182	C	C	.	.	S	Bend	trans	-145.6	171.5	176.8	70.7	-21.4	0	0	0	112.3	D703 F704 T746 Y748	N698-D703 HydrophobicContact CB-CB 4.15Å; N698-D703 WeakPolarHBondContact CB-OD2 3.36Å; N698-D703 VanDerWaalsContact ND2-CB 3.34Å; N698-D703 WeakPolarHBondContact ND2-CB 3.39Å; N698-F704 WeakPolarHBondContact OD1-CE1 3.29Å; N698-T746 PolarHBondContact ND2-O 3.1Å; N698-Y748 WeakPolarHBondContact ND2-CD2 3.29Å; N698-Y748 PolarHBondContact OD1-N 3.46Å
699	N	95.3	Very high	95.2	Very high	50 Å²	50	28 Å²	28	27%	0.267	16%	0.16	S	C	.	.			trans	-90	126.1	-166.4	-68.2	-57.5	0	0	0	112.3	T702 D703 K723	N699-T702 PolarHBondContact O-N 2.91Å; N699-D703 WeakPolarHBondContact CA-OD2 3.27Å; N699-D703 WeakPolarHBondContact CB-OD2 3.32Å; N699-D703 PolarHBondContact N-OD2 3.08Å; N699-D703 WeakPolarHBondContact O-CB 3.21Å; N699-D703 PolarHBondContact O-N 3.12Å; N699-K723 VanDerWaalsContact OD1-CB 3.26Å; N699-K723 WeakPolarHBondContact OD1-CB 3.48Å
700	K	92.2	Very high	95.4	Very high	39 Å²	39	31.9 Å²	31.9	17%	0.17	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-64.5	144.4	166	-171.5	-178.6	175.7	-174.6	0	109.8	T702 F704 E719 S720	K700-T702 PolarHBondContact O-N 3.11Å; K700-F704 HydrophobicContact CB-CE1 4.15Å; K700-F704 HydrophobicContact CB-CE2 4.01Å; K700-F704 HydrophobicContact CB-CZ 3.66Å; K700-F704 HydrophobicContact CG-CD2 4.49Å; K700-F704 HydrophobicContact CG-CE2 3.91Å; K700-F704 HydrophobicContact CG-CZ 4.11Å; K700-E719 WeakPolarHBondContact CD-O 3.28Å; K700-E719 WeakPolarHBondContact CE-O 3.32Å; K700-E719 VanDerWaalsContact NZ-C 3.34Å; K700-E719 PolarHBondContact NZ-O 2.83Å; K700-S720 PolarHBondContact NZ-OG 2.96Å
701	N	92.8	Very high	95.5	Very high	102 Å²	102	28.8 Å²	28.8	55%	0.545	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-19.2	-177.3	-48.9	-44.5	0	0	0	115.5	F704 Q705	N701-F704 WeakPolarHBondContact CA-O 3.41Å; N701-F704 PolarHBondContact N-O 3.05Å; N701-Q705 PolarHBondContact O-NE2 2.84Å
702	T	93.6	Very high	95.4	Very high	115 Å²	115	31.4 Å²	31.4	71%	0.706	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-54.1	173.8	-53.9	0	0	0	0	111.1	N699 K700	N699-T702 PolarHBondContact O-N 2.91Å; K700-T702 PolarHBondContact O-N 3.11Å
703	D	94.9	Very high	95.4	Very high	67 Å²	67	38.3 Å²	38.3	36%	0.358	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-26	-173.5	-53.5	-49.7	0	0	0	112.5	N698 N699 G745 T746	N698-D703 HydrophobicContact CB-CB 4.15Å; N698-D703 WeakPolarHBondContact CB-OD2 3.36Å; N698-D703 VanDerWaalsContact ND2-CB 3.34Å; N698-D703 WeakPolarHBondContact ND2-CB 3.39Å; N699-D703 WeakPolarHBondContact CA-OD2 3.27Å; N699-D703 WeakPolarHBondContact CB-OD2 3.32Å; N699-D703 PolarHBondContact N-OD2 3.08Å; N699-D703 WeakPolarHBondContact O-CB 3.21Å; N699-D703 PolarHBondContact O-N 3.12Å; D703-G745 WeakPolarHBondContact O-CA 3.34Å; D703-T746 PolarHBondContact O-N 2.88Å; D703-T746 VanDerWaalsContact O-N 3.11Å
704	F	96.3	Very high	95.2	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.022	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	161.2	176.9	70.8	-85.8	0	0	0	113.5	N698 K700 N701 G706 P721 T742 N744 R747	N698-F704 WeakPolarHBondContact OD1-CE1 3.29Å; K700-F704 HydrophobicContact CB-CE1 4.15Å; K700-F704 HydrophobicContact CB-CE2 4.01Å; K700-F704 HydrophobicContact CB-CZ 3.66Å; K700-F704 HydrophobicContact CG-CD2 4.49Å; K700-F704 HydrophobicContact CG-CE2 3.91Å; K700-F704 HydrophobicContact CG-CZ 4.11Å; N701-F704 WeakPolarHBondContact CA-O 3.41Å; N701-F704 PolarHBondContact N-O 3.05Å; F704-G706 WeakPolarHBondContact CE2-O 3.32Å; F704-P721 HydrophobicContact CZ-CG 4.17Å; F704-T742 HydrophobicContact CB-CG2 4.07Å; F704-T742 HydrophobicContact CD2-CG2 4.4Å; F704-N744 CarbonylContact C-O 3.56Å; F704-N744 WeakPolarHBondContact CA-O 3.28Å; F704-N744 WeakPolarHBondContact CB-O 3.45Å; F704-R747 HydrophobicContact CB-CB 4.16Å; F704-R747 HydrophobicContact CD1-CB 3.83Å; F704-R747 HydrophobicContact CD1-CG 4.1Å; F704-R747 HydrophobicContact CD2-CB 3.83Å; F704-R747 HydrophobicContact CD2-CG 4.11Å; F704-R747 HydrophobicContact CE1-CB 4.14Å; F704-R747 HydrophobicContact CE1-CG 3.87Å; F704-R747 HydrophobicContact CE2-CB 4.15Å; F704-R747 HydrophobicContact CE2-CG 3.9Å; F704-R747 HydrophobicContact CG-CB 3.67Å; F704-R747 HydrophobicContact CG-CG 4.22Å; F704-R747 HydrophobicContact CZ-CB 4.3Å; F704-R747 HydrophobicContact CZ-CG 3.77Å
705	Q	95.4	Very high	95.1	Very high	73 Å²	73	46.2 Å²	46.2	34%	0.341	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	154.1	173.7	-60	-68.8	-22.2	0	0	110.8	N701 T742 T743 N744	N701-Q705 PolarHBondContact O-NE2 2.84Å; Q705-T742 CarbonylContact O-C 3.53Å; Q705-T742 WeakPolarHBondContact O-CA 3.41Å; Q705-T743 PolarHBondContact O-N 3.43Å; Q705-T743 PolarHBondContact O-OG1 3.42Å; Q705-N744 HydrophobicContact CB-CB 3.85Å; Q705-N744 HydrophobicContact CG-CB 3.95Å; Q705-N744 PolarHBondContact N-O 3.07Å
706	G	93.1	Very high	95	Very high	24 Å²	24	47.3 Å²	47.3	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.7	-146.1	-171.9	0	0	0	0	0	111.8	F704	F704-G706 WeakPolarHBondContact CE2-O 3.32Å
707	G	91.1	Very high	94.9	Very high	5 Å²	5	49 Å²	49	5%	0.052	25%	0.251	C	S	.	.			trans	75.8	-173.3	179.6	0	0	0	0	0	114	L740 P741	G707-L740 WeakPolarHBondContact CA-O 3.34Å; G707-P741 PolarHBondContact N-O 3.12Å
708	G	92.8	Very high	94.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.01	25%	0.252	C	S	.	.			trans	120.4	-167.1	-174.3	0	0	0	0	0	112.8	I718 L740 R747	G708-I718 CarbonylContact C-O 3.21Å; G708-I718 WeakPolarHBondContact CA-O 3.45Å; G708-L740 PolarHBondContact O-N 3.4Å; G708-R747 PolarHBondContact O-NH1 3.44Å; G708-R747 PolarHBondContact O-NH2 3.38Å
709	C	96.1	Very high	94.3	Very high	4 Å²	4	54 Å²	54	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.2	174.1	-173.9	0	0	0	0	108.8	S717 I718 F727 E738	C709-S717 CarbonylContact O-C 3.51Å; C709-S717 WeakPolarHBondContact O-CA 3.36Å; C709-I718 PolarHBondContact N-O 2.99Å; C709-I718 PolarHBondContact O-N 3.46Å; C709-F727 HydrophobicContact CB-CE2 4.21Å; C709-F727 HydrophobicContact CB-CZ 3.8Å; C709-E738 WeakPolarHBondContact CA-O 3.46Å
710	R	96.5	Very high	93.9	Very high	81 Å²	81	54.9 Å²	54.9	31%	0.306	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.6	176.6	178.5	-173.1	-168.1	-176.5	2.7	110.5	N715 C716 S717 H737 E738 L740	R710-N715 PolarHBondContact NH2-OD1 2.93Å; R710-C716 WeakPolarHBondContact CA-O 3.27Å; R710-S717 WeakPolarHBondContact CG-OG 3.25Å; R710-H737 CarbonylContact O-C 3.6Å; R710-H737 WeakPolarHBondContact O-CA 3.49Å; R710-H737 WeakPolarHBondContact O-CB 3.32Å; R710-E738 HydrophobicContact CB-CG 3.82Å; R710-E738 WeakPolarHBondContact CD-OE1 3.16Å; R710-E738 PolarHBondContact N-O 2.85Å; R710-E738 IonicContact NH1-OE1 3.63Å; R710-E738 PolarHBondContact O-N 3.07Å; R710-L740 HydrophobicContact CB-CD2 3.98Å; R710-L740 HydrophobicContact CB-CG 4.25Å
711	F	97	Very high	93.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.6	175.6	-61.3	-85.1	0	0	0	110	C581 V584 R713 Y714 N715 C716 I718 F727 H729 H735 H737	C581-F711 HydrophobicContact CB-CD2 4.36Å; V584-F711 HydrophobicContact CB-CE2 4.46Å; V584-F711 HydrophobicContact CG1-CE2 3.9Å; V584-F711 HydrophobicContact CG1-CZ 3.92Å; V584-F711 HydrophobicContact CG2-CD1 4.34Å; V584-F711 HydrophobicContact CG2-CD2 4.13Å; V584-F711 HydrophobicContact CG2-CE1 4.08Å; V584-F711 HydrophobicContact CG2-CE2 3.86Å; V584-F711 HydrophobicContact CG2-CG 4.37Å; V584-F711 HydrophobicContact CG2-CZ 3.83Å; F711-R713 PolarHBondContact O-N 2.94Å; F711-Y714 HydrophobicContact CB-CD2 3.95Å; F711-Y714 PolarHBondContact O-N 2.96Å; F711-N715 PolarHBondContact O-N 3.2Å; F711-N715 VanDerWaalsContact O-N 3.1Å; F711-C716 PolarHBondContact N-O 2.71Å; F711-C716 PolarHBondContact O-N 2.5Å; F711-I718 HydrophobicContact CE2-CD1 4.15Å; F711-I718 HydrophobicContact CE2-CG1 4.46Å; F711-F727 HydrophobicContact CZ-CD2 4.43Å; F711-F727 HydrophobicContact CZ-CE2 4.29Å; F711-H729 HydrophobicContact CE1-CB 4.15Å; F711-H729 AromaticContact CE1-CD2 3.81Å; F711-H729 AromaticContact CE1-CG 3.67Å; F711-H729 AromaticContact CE1-ND1 3.85Å; F711-H729 HydrophobicContact CZ-CB 4.34Å; F711-H729 AromaticContact CZ-CD2 3.7Å; F711-H729 AromaticContact CZ-CG 3.94Å; F711-H735 HydrophobicContact CD1-CB 4.01Å; F711-H735 AromaticContact CD1-CD2 3.91Å; F711-H735 HydrophobicContact CE1-CB 4.25Å; F711-H737 HydrophobicContact CD1-CB 3.64Å; F711-H737 HydrophobicContact CE1-CB 3.84Å; F711-H737 HydrophobicContact CG-CB 4.35Å
712	H	95	Very high	93.9	Very high	59 Å²	59	52.1 Å²	52.1	27%	0.273	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-65.5	-41.6	-168.2	-70.9	-83.8	0	0	0	113.4	P684 Y714 N715 L736 E738	P684-H712 WeakPolarHBondContact CG-NE2 3.34Å; H712-Y714 PolarHBondContact O-N 2.75Å; H712-Y714 VanDerWaalsContact O-N 3.17Å; H712-N715 PolarHBondContact O-N 3.11Å; H712-L736 HydrophobicContact CB-CD2 4.35Å; H712-L736 PolarHBondContact CD2-O 3.24Å; H712-L736 PolarHBondContact N-O 2.9Å; H712-E738 IonicContact CE1-OE1 3.39Å; H712-E738 IonicContact CE1-OE2 3.25Å; H712-E738 PolarHBondContact CE1-OE2 2.81Å; H712-E738 VanDerWaalsContact NE2-CG 3.35Å; H712-E738 WeakPolarHBondContact NE2-CG 3.45Å; H712-E738 IonicContact NE2-OE1 2.73Å; H712-E738 IonicContact NE2-OE2 3.4Å; H712-E738 PolarHBondContact NE2-OE2 2.87Å
713	R	95.3	Very high	94.1	Very high	147 Å²	147	47.5 Å²	47.5	56%	0.555	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-61.1	-26.2	-178.3	-77.8	-172.1	61.3	-117.3	8.2	113.1	F711 T734	F711-R713 PolarHBondContact O-N 2.94Å; R713-T734 VanDerWaalsContact CD-O 3.26Å; R713-T734 WeakPolarHBondContact CD-O 3.09Å; R713-T734 PolarHBondContact NH1-O 3.24Å
714	Y	94.5	Very high	94.2	Very high	66 Å²	66	44.3 Å²	44.3	26%	0.259	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-108.2	-2.9	-177.2	-48.1	-60.9	0	0	0	113	P582 F711 H712 C716 T734 H735	P582-Y714 HydrophobicContact CB-CD1 4.19Å; P582-Y714 HydrophobicContact CB-CE1 4.21Å; P582-Y714 HydrophobicContact CB-CG 4.46Å; P582-Y714 HydrophobicContact CG-CD1 4.01Å; P582-Y714 HydrophobicContact CG-CG 4.15Å; F711-Y714 HydrophobicContact CB-CD2 3.95Å; F711-Y714 PolarHBondContact O-N 2.96Å; H712-Y714 PolarHBondContact O-N 2.75Å; H712-Y714 VanDerWaalsContact O-N 3.17Å; Y714-C716 PolarHBondContact O-N 3.36Å; Y714-C716 VanDerWaalsContact O-N 3.14Å; Y714-T734 PolarHBondContact OH-O 3.47Å; Y714-H735 AromaticContact CE2-CD2 3.64Å; Y714-H735 AromaticContact CE2-CE1 3.97Å; Y714-H735 AromaticContact CE2-NE2 3.47Å; Y714-H735 WeakPolarHBondContact CE2-NE2 3.41Å; Y714-H735 AromaticContact CZ-NE2 4Å; Y714-H735 PolarHBondContact OH-CE1 2.6Å
715	N	95	Very high	94.2	Very high	115 Å²	115	45.4 Å²	45.4	62%	0.615	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.1	41.9	-169.1	-168.1	41.8	0	0	0	112.5	R710 F711 H712	R710-N715 PolarHBondContact NH2-OD1 2.93Å; F711-N715 PolarHBondContact O-N 3.2Å; F711-N715 VanDerWaalsContact O-N 3.1Å; H712-N715 PolarHBondContact O-N 3.11Å
716	C	96.1	Very high	94.3	Very high	24 Å²	24	41.9 Å²	41.9	16%	0.162	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.2	-174.3	-177.1	0	0	0	0	109.9	P580 C581 R710 F711 Y714	P580-C716 PolarHBondContact O-SG 3.48Å; C581-C716 WeakPolarHBondContact CA-SG 3.49Å; C581-C716 HydrophobicContact CB-CB 3.7Å; C581-C716 WeakPolarHBondContact CB-SG 3.33Å; C581-C716 WeakPolarHBondContact SG-CB 3.35Å; C581-C716 CovalentContact SG-SG 2.03Å; C581-C716 PolarHBondContact SG-SG 2.9Å; R710-C716 WeakPolarHBondContact CA-O 3.27Å; F711-C716 PolarHBondContact N-O 2.71Å; F711-C716 PolarHBondContact O-N 2.5Å; Y714-C716 PolarHBondContact O-N 3.36Å; Y714-C716 VanDerWaalsContact O-N 3.14Å
717	S	94.5	Very high	94.4	Very high	41 Å²	41	40.9 Å²	40.9	29%	0.287	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.7	-175.9	-60.5	0	0	0	0	111.3	C709 R710	C709-S717 CarbonylContact O-C 3.51Å; C709-S717 WeakPolarHBondContact O-CA 3.36Å; R710-S717 WeakPolarHBondContact CG-OG 3.25Å
718	I	93.8	Very high	94.6	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	91.3	165	-56.6	177.8	0	0	0	106.9	P580 V584 G708 C709 F711 F727	P580-I718 HydrophobicContact CB-CG1 4.33Å; P580-I718 HydrophobicContact CG-CD1 3.86Å; P580-I718 HydrophobicContact CG-CG1 4.09Å; V584-I718 HydrophobicContact CG1-CD1 3.8Å; G708-I718 CarbonylContact C-O 3.21Å; G708-I718 WeakPolarHBondContact CA-O 3.45Å; C709-I718 PolarHBondContact N-O 2.99Å; C709-I718 PolarHBondContact O-N 3.46Å; F711-I718 HydrophobicContact CE2-CD1 4.15Å; F711-I718 HydrophobicContact CE2-CG1 4.46Å; I718-F727 HydrophobicContact CD1-CB 3.94Å; I718-F727 HydrophobicContact CD1-CD1 4.23Å; I718-F727 HydrophobicContact CD1-CD2 4.11Å; I718-F727 HydrophobicContact CD1-CG 3.85Å
719	E	88.4	Confident	94.8	Very high	110 Å²	110	40.7 Å²	40.7	51%	0.514	19%	0.193	S	C	.	.			trans	-86.8	-30.2	-175.4	-63.8	-173.6	176.1	0	0	112.6	K700 P721 L740	K700-E719 WeakPolarHBondContact CD-O 3.28Å; K700-E719 WeakPolarHBondContact CE-O 3.32Å; K700-E719 VanDerWaalsContact NZ-C 3.34Å; K700-E719 PolarHBondContact NZ-O 2.83Å; E719-P721 WeakPolarHBondContact O-CD 3.32Å; E719-L740 HydrophobicContact CG-CD1 4.29Å
720	S	88.6	Confident	94.9	Very high	68 Å²	68	41.7 Å²	41.7	48%	0.476	20%	0.199	S	C	.	.	S	Bend	trans	-116.2	68.9	-173	-64.5	0	0	0	0	112.1	W586 K700	W586-S720 VanDerWaalsContact CH2-O 3.3Å; W586-S720 WeakPolarHBondContact CH2-O 3.35Å; K700-S720 PolarHBondContact NZ-OG 2.96Å
721	P	88.9	Confident	94.6	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.058	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-61.5	143	177.4	27.6	-34.6	0	0	0	111.1	A696 F704 E719	A696-P721 HydrophobicContact CB-CB 3.87Å; F704-P721 HydrophobicContact CZ-CG 4.17Å; E719-P721 WeakPolarHBondContact O-CD 3.32Å
722	R	94.9	Very high	94.2	Very high	74 Å²	74	43.5 Å²	43.5	28%	0.279	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-101.9	129.1	-178	-70	175	-82.8	-165.4	-9.2	108.3	E578 W586 A696 G724 W725	E578-R722 IonicContact OE1-CZ 3.76Å; E578-R722 IonicContact OE1-NH1 2.91Å; E578-R722 PolarHBondContact OE1-NH1 2.86Å; E578-R722 IonicContact OE1-NH2 3.69Å; E578-R722 PolarHBondContact OE1-NH2 2.9Å; E578-R722 IonicContact OE2-CZ 3.66Å; E578-R722 IonicContact OE2-NH1 3.75Å; E578-R722 IonicContact OE2-NH2 2.76Å; E578-R722 PolarHBondContact OE2-NH2 3.39Å; W586-R722 HydrophobicContact CH2-CG 4Å; W586-R722 HydrophobicContact CZ2-CB 4.01Å; W586-R722 HydrophobicContact CZ2-CG 3.81Å; A696-R722 WeakPolarHBondContact CB-O 3.45Å; R722-G724 PolarHBondContact O-N 2.8Å; R722-W725 HydrophobicContact CB-CB 3.97Å; R722-W725 HydrophobicContact CB-CD2 4.27Å; R722-W725 HydrophobicContact CB-CG 3.65Å; R722-W725 VanDerWaalsContact NH1-CZ3 3.32Å; R722-W725 VanDerWaalsContact NH2-CZ3 3.31Å; R722-W725 WeakPolarHBondContact O-CB 3.38Å; R722-W725 PolarHBondContact O-N 3.31Å
723	K	97.3	Very high	94	Very high	18 Å²	18	47.7 Å²	47.7	8%	0.078	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134	177.5	-177.5	178.7	176.2	-170.7	0	110	E592 C595 D596 L697 N699 W725	E592-K723 HydrophobicContact CB-CD 4.36Å; E592-K723 HydrophobicContact CG-CD 4.11Å; E592-K723 WeakPolarHBondContact O-CE 3.42Å; E592-K723 PolarHBondContact O-NZ 2.92Å; C595-K723 HydrophobicContact CB-CD 4.45Å; C595-K723 HydrophobicContact CB-CG 4.07Å; D596-K723 WeakPolarHBondContact OD1-CE 3.4Å; D596-K723 IonicContact OD1-NZ 2.63Å; D596-K723 PolarHBondContact OD1-NZ 2.58Å; D596-K723 IonicContact OD2-NZ 3.94Å; D596-K723 PolarHBondContact OD2-NZ 2.89Å; L697-K723 WeakPolarHBondContact O-CE 3.21Å; N699-K723 VanDerWaalsContact OD1-CB 3.26Å; N699-K723 WeakPolarHBondContact OD1-CB 3.48Å; K723-W725 PolarHBondContact O-N 3.06Å
724	G	97.2	Very high	93.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-5.5	-178.1	0	0	0	0	0	115.6	V589 L590 C595 A696 R722	V589-G724 PolarHBondContact N-O 3.01Å; L590-G724 PolarHBondContact N-O 3.14Å; L590-G724 VanDerWaalsContact O-CA 3.24Å; L590-G724 WeakPolarHBondContact O-CA 3.16Å; C595-G724 VanDerWaalsContact SG-CA 3.56Å; A696-G724 PolarHBondContact O-N 3.47Å; R722-G724 PolarHBondContact O-N 2.8Å
725	W	97.3	Very high	93.9	Very high	28 Å²	28	39.6 Å²	39.6	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.2	175.3	-69.8	54.5	0	0	0	111.4	W586 F587 P588 I695 A696 R722 K723	W586-W725 HydrophobicContact CD2-CE3 4.46Å; W586-W725 HydrophobicContact CG-CE3 4.31Å; F587-W725 VanDerWaalsContact C-CE3 3.44Å; F587-W725 CarbonylContact O-C 3.53Å; F587-W725 VanDerWaalsContact O-CA 3.31Å; F587-W725 WeakPolarHBondContact O-CA 3.28Å; P588-W725 HydrophobicContact CB-CD2 4.11Å; P588-W725 HydrophobicContact CB-CG 4.42Å; P588-W725 HydrophobicContact CB-CZ2 4.07Å; P588-W725 HydrophobicContact CG-CH2 4.33Å; P588-W725 HydrophobicContact CG-CZ2 4.16Å; I695-W725 WeakPolarHBondContact CA-O 3.15Å; A696-W725 PolarHBondContact N-O 3.38Å; R722-W725 HydrophobicContact CB-CB 3.97Å; R722-W725 HydrophobicContact CB-CD2 4.27Å; R722-W725 HydrophobicContact CB-CG 3.65Å; R722-W725 VanDerWaalsContact NH1-CZ3 3.32Å; R722-W725 VanDerWaalsContact NH2-CZ3 3.31Å; R722-W725 WeakPolarHBondContact O-CB 3.38Å; R722-W725 PolarHBondContact O-N 3.31Å; K723-W725 PolarHBondContact O-N 3.06Å
726	S	96.5	Very high	93.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.5	176.2	-169.6	0	0	0	0	110.8	W586 F587 N694	W586-S726 WeakPolarHBondContact CA-O 3.47Å; W586-S726 VanDerWaalsContact CD1-O 3.32Å; F587-S726 PolarHBondContact N-O 3.25Å; F587-S726 PolarHBondContact O-N 2.53Å; N694-S726 CarbonylContact O-C 3.59Å; N694-S726 VanDerWaalsContact O-CA 3.31Å; N694-S726 WeakPolarHBondContact O-CA 3.42Å
727	F	94.6	Very high	93.8	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.013	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.4	161	64.4	-91.4	0	0	0	110.6	V584 F585 W586 I693 N694 C709 F711 I718 H729	V584-F727 HydrophobicContact CG1-CB 4.34Å; V584-F727 HydrophobicContact CG1-CD2 4.39Å; F585-F727 CarbonylContact O-C 3.52Å; F585-F727 WeakPolarHBondContact O-CA 3.38Å; W586-F727 HydrophobicContact CB-CB 4.39Å; W586-F727 HydrophobicContact CG-CB 4.23Å; I693-F727 WeakPolarHBondContact CA-O 3.47Å; N694-F727 HydrophobicContact CB-CD1 4.08Å; N694-F727 HydrophobicContact CB-CD2 4.02Å; N694-F727 HydrophobicContact CB-CE1 3.59Å; N694-F727 HydrophobicContact CB-CE2 3.51Å; N694-F727 HydrophobicContact CB-CG 4.29Å; N694-F727 HydrophobicContact CB-CZ 3.3Å; N694-F727 VanDerWaalsContact CG-CE1 3.46Å; N694-F727 PolarHBondContact N-O 3.08Å; N694-F727 VanDerWaalsContact ND2-CZ 3.34Å; N694-F727 WeakPolarHBondContact ND2-CZ 3.23Å; N694-F727 WeakPolarHBondContact O-CD1 3.46Å; N694-F727 PolarHBondContact O-N 3.33Å; C709-F727 HydrophobicContact CB-CE2 4.21Å; C709-F727 HydrophobicContact CB-CZ 3.8Å; F711-F727 HydrophobicContact CZ-CD2 4.43Å; F711-F727 HydrophobicContact CZ-CE2 4.29Å; I718-F727 HydrophobicContact CD1-CB 3.94Å; I718-F727 HydrophobicContact CD1-CD1 4.23Å; I718-F727 HydrophobicContact CD1-CD2 4.11Å; I718-F727 HydrophobicContact CD1-CG 3.85Å; F727-H729 AromaticContact CD2-CD2 3.81Å; F727-H729 AromaticContact CE2-CD2 3.89Å; F727-H729 AromaticContact CE2-NE2 3.97Å
728	M	96.7	Very high	93.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.9	-175.4	178.6	-175	-64.4	0	0	109.3	V584 F585 F587 I649 T653 V656 F657 F691 T692 I693	V584-M728 CarbonylContact C-O 3.18Å; V584-M728 WeakPolarHBondContact CA-O 3.4Å; F585-M728 PolarHBondContact N-O 3.44Å; F585-M728 PolarHBondContact O-N 3.01Å; F587-M728 HydrophobicContact CE1-CB 3.99Å; F587-M728 HydrophobicContact CE1-CE 3.95Å; F587-M728 HydrophobicContact CZ-CE 3.88Å; I649-M728 HydrophobicContact CG2-CE 3.67Å; T653-M728 HydrophobicContact CG2-SD 4.24Å; T653-M728 WeakPolarHBondContact OG1-CE 3.5Å; V656-M728 HydrophobicContact CG2-SD 4Å; F657-M728 HydrophobicContact CD2-SD 4.36Å; F657-M728 HydrophobicContact CE2-CG 4.27Å; F657-M728 HydrophobicContact CE2-SD 3.93Å; F691-M728 HydrophobicContact CD2-CE 4.36Å; F691-M728 HydrophobicContact CD2-CG 3.82Å; F691-M728 HydrophobicContact CD2-SD 4.06Å; F691-M728 HydrophobicContact CE2-CE 4.01Å; F691-M728 HydrophobicContact CE2-CG 4.41Å; F691-M728 HydrophobicContact CE2-SD 4.2Å; T692-M728 VanDerWaalsContact O-CA 3.32Å; T692-M728 WeakPolarHBondContact O-CA 3.18Å; I693-M728 HydrophobicContact CG2-CB 4.23Å; I693-M728 HydrophobicContact CG2-CE 3.87Å; I693-M728 HydrophobicContact CG2-CG 4.18Å
729	H	96.9	Very high	93.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.1	178.7	62.1	86.9	0	0	0	111.8	V584 D687 F691 T692 F711 F727 H737	V584-H729 HydrophobicContact CB-CB 4.45Å; V584-H729 HydrophobicContact CG1-CB 4.31Å; V584-H729 HydrophobicContact CG2-CB 3.93Å; D687-H729 IonicContact OD2-CE1 2.74Å; F691-H729 CarbonylContact C-O 3.6Å; F691-H729 VanDerWaalsContact CA-O 3.27Å; F691-H729 WeakPolarHBondContact CA-O 3.15Å; F691-H729 WeakPolarHBondContact CB-O 3.46Å; T692-H729 PolarHBondContact N-O 3.14Å; T692-H729 PolarHBondContact O-N 3.27Å; F711-H729 HydrophobicContact CE1-CB 4.15Å; F711-H729 AromaticContact CE1-CD2 3.81Å; F711-H729 AromaticContact CE1-CG 3.67Å; F711-H729 AromaticContact CE1-ND1 3.85Å; F711-H729 HydrophobicContact CZ-CB 4.34Å; F711-H729 AromaticContact CZ-CD2 3.7Å; F711-H729 AromaticContact CZ-CG 3.94Å; F727-H729 AromaticContact CD2-CD2 3.81Å; F727-H729 AromaticContact CE2-CD2 3.89Å; F727-H729 AromaticContact CE2-NE2 3.97Å; H729-H737 AromaticContact CE1-CE1 3.84Å; H729-H737 AromaticContact CE1-ND1 3.91Å
730	P	96.8	Very high	94.1	Very high	26 Å²	26	32.6 Å²	32.6	17%	0.169	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	139.6	169.4	-25.1	34	0	0	0	112.3	D583 F657 T690 H735	D583-P730 WeakPolarHBondContact O-CD 3.14Å; F657-P730 HydrophobicContact CZ-CG 4.45Å; T690-P730 WeakPolarHBondContact O-CA 3.48Å; P730-H735 VanDerWaalsContact CD-CE1 3.43Å; P730-H735 WeakPolarHBondContact CD-CE1 3.22Å; P730-H735 VanDerWaalsContact CG-CE1 3.49Å; P730-H735 WeakPolarHBondContact CG-CE1 3.3Å; P730-H735 VanDerWaalsContact O-CB 3.28Å; P730-H735 WeakPolarHBondContact O-CB 3.5Å
731	G	91.2	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.			trans	-86.5	-35.4	-177.1	0	0	0	0	0	114.4	H686 D687 S689 T690	H686-G731 PolarHBondContact ND1-O 3.32Å; D687-G731 PolarHBondContact N-O 3.37Å; D687-G731 CarbonylContact O-C 3.58Å; S689-G731 WeakPolarHBondContact OG-CA 3.42Å; T690-G731 PolarHBondContact O-N 3.42Å
732	R	89.5	Confident	94.7	Very high	119 Å²	119	32.2 Å²	32.2	45%	0.449	16%	0.16	S	C	.	.	S	Bend	trans	-109	159	-174.4	-71.4	177.4	176.5	151.8	6.1	112.8	D687 S688 S689 T734 P756	D687-R732 WeakPolarHBondContact O-CG 3.45Å; S688-R732 PolarHBondContact OG-NH2 3.36Å; S689-R732 WeakPolarHBondContact O-CG 3.35Å; R732-T734 PolarHBondContact O-N 2.99Å; R732-P756 VanDerWaalsContact CZ-OXT 3.22Å; R732-P756 PolarHBondContact NH1-OXT 3.3Å; R732-P756 PolarHBondContact NH2-OXT 3.17Å
733	L	90	Very high	94.7	Very high	147 Å²	147	33.2 Å²	33.2	77%	0.77	18%	0.175	S	C	*	.	S	Bend	trans	64.6	-55.8	171.4	-172.3	67.4	0	0	0	116.1
734	T	92.4	Very high	94.6	Very high	41 Å²	41	37.4 Å²	37.4	25%	0.252	20%	0.198	S	C	.	.	S	Bend	trans	-103.9	-21.1	-163.2	50.7	0	0	0	0	114.9	R713 Y714 R732	R713-T734 VanDerWaalsContact CD-O 3.26Å; R713-T734 WeakPolarHBondContact CD-O 3.09Å; R713-T734 PolarHBondContact NH1-O 3.24Å; Y714-T734 PolarHBondContact OH-O 3.47Å; R732-T734 PolarHBondContact O-N 2.99Å
735	H	95	Very high	94.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.212	C	C	.	.			trans	-119.7	60.5	-172.9	-66.7	69.8	0	0	0	111.2	P582 F711 Y714 P730 H737	P582-H735 PolarHBondContact O-NE2 3.46Å; P582-H735 VanDerWaalsContact O-NE2 3.17Å; F711-H735 HydrophobicContact CD1-CB 4.01Å; F711-H735 AromaticContact CD1-CD2 3.91Å; F711-H735 HydrophobicContact CE1-CB 4.25Å; Y714-H735 AromaticContact CE2-CD2 3.64Å; Y714-H735 AromaticContact CE2-CE1 3.97Å; Y714-H735 AromaticContact CE2-NE2 3.47Å; Y714-H735 WeakPolarHBondContact CE2-NE2 3.41Å; Y714-H735 AromaticContact CZ-NE2 4Å; Y714-H735 PolarHBondContact OH-CE1 2.6Å; P730-H735 VanDerWaalsContact CD-CE1 3.43Å; P730-H735 WeakPolarHBondContact CD-CE1 3.22Å; P730-H735 VanDerWaalsContact CG-CE1 3.49Å; P730-H735 WeakPolarHBondContact CG-CE1 3.3Å; P730-H735 VanDerWaalsContact O-CB 3.28Å; P730-H735 WeakPolarHBondContact O-CB 3.5Å; H735-H737 PolarHBondContact O-N 2.73Å; H735-H737 VanDerWaalsContact O-N 3.15Å; H735-H737 PolarHBondContact O-ND1 3.42Å; H735-H737 VanDerWaalsContact O-ND1 3.08Å
736	L	94.6	Very high	94.5	Very high	57 Å²	57	39.3 Å²	39.3	30%	0.298	22%	0.219	S	C	.	.			trans	-61.1	117.5	167.7	-177.5	76.7	0	0	0	107.6	P684 H686 H712	P684-L736 HydrophobicContact CB-CG 4.43Å; H686-L736 PolarHBondContact CE1-N 3Å; H686-L736 VanDerWaalsContact CE1-N 3.32Å; H712-L736 HydrophobicContact CB-CD2 4.35Å; H712-L736 PolarHBondContact CD2-O 3.24Å; H712-L736 PolarHBondContact N-O 2.9Å
737	H	94.8	Very high	94.6	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.065	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.3	-171.5	70.1	-80.7	0	0	0	112.5	P684 H685 D687 R710 F711 H729 H735	P684-H737 CarbonylContact C-O 3.49Å; P684-H737 VanDerWaalsContact CA-O 3.27Å; P684-H737 WeakPolarHBondContact CA-O 3.35Å; H685-H737 AromaticContact CE1-CD2 3.99Å; H685-H737 AromaticContact CE1-NE2 3.47Å; H685-H737 PolarHBondContact CE1-NE2 2.83Å; H685-H737 PolarHBondContact N-O 3.43Å; H685-H737 PolarHBondContact ND1-O 3.06Å; H685-H737 AromaticContact NE2-CE1 3.8Å; H685-H737 AromaticContact NE2-NE2 3.48Å; H685-H737 PolarHBondContact NE2-NE2 2.83Å; H685-H737 PolarHBondContact O-N 2.91Å; H685-H737 VanDerWaalsContact O-N 3.1Å; D687-H737 IonicContact OD1-CE1 3.69Å; D687-H737 PolarHBondContact OD1-CE1 2.84Å; D687-H737 IonicContact OD1-NE2 3.01Å; D687-H737 IonicContact OD2-CE1 2.62Å; D687-H737 PolarHBondContact OD2-CE1 3.41Å; D687-H737 VanDerWaalsContact OD2-CE1 3.29Å; D687-H737 IonicContact OD2-NE2 2.66Å; R710-H737 CarbonylContact O-C 3.6Å; R710-H737 WeakPolarHBondContact O-CA 3.49Å; R710-H737 WeakPolarHBondContact O-CB 3.32Å; F711-H737 HydrophobicContact CD1-CB 3.64Å; F711-H737 HydrophobicContact CE1-CB 3.84Å; F711-H737 HydrophobicContact CG-CB 4.35Å; H729-H737 AromaticContact CE1-CE1 3.84Å; H729-H737 AromaticContact CE1-ND1 3.91Å; H735-H737 PolarHBondContact O-N 2.73Å; H735-H737 VanDerWaalsContact O-N 3.15Å; H735-H737 PolarHBondContact O-ND1 3.42Å; H735-H737 VanDerWaalsContact O-ND1 3.08Å
738	E	93.8	Very high	94.7	Very high	40 Å²	40	40.6 Å²	40.6	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.4	176.2	66.9	-179.8	178.9	0	0	111.3	P684 C709 R710 H712 L740	P684-E738 HydrophobicContact CB-CB 4.46Å; P684-E738 HydrophobicContact CG-CB 4.04Å; C709-E738 WeakPolarHBondContact CA-O 3.46Å; R710-E738 HydrophobicContact CB-CG 3.82Å; R710-E738 WeakPolarHBondContact CD-OE1 3.16Å; R710-E738 PolarHBondContact N-O 2.85Å; R710-E738 IonicContact NH1-OE1 3.63Å; R710-E738 PolarHBondContact O-N 3.07Å; H712-E738 IonicContact CE1-OE1 3.39Å; H712-E738 IonicContact CE1-OE2 3.25Å; H712-E738 PolarHBondContact CE1-OE2 2.81Å; H712-E738 VanDerWaalsContact NE2-CG 3.35Å; H712-E738 WeakPolarHBondContact NE2-CG 3.45Å; H712-E738 IonicContact NE2-OE1 2.73Å; H712-E738 IonicContact NE2-OE2 3.4Å; H712-E738 PolarHBondContact NE2-OE2 2.87Å; E738-L740 HydrophobicContact CG-CD2 4.39Å
739	G	94.4	Very high	94.8	Very high	9 Å²	9	40.8 Å²	40.8	9%	0.093	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	111.7	170.6	0	0	0	0	0	109.4	F681 L682	F681-G739 WeakPolarHBondContact CA-O 3.49Å; F681-G739 WeakPolarHBondContact CB-O 3.38Å; L682-G739 PolarHBondContact N-O 3.37Å; L682-G739 PolarHBondContact O-N 3.26Å
740	L	95.1	Very high	94.8	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.157	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-64	150	-177.3	-66.2	176.5	0	0	0	111.6	G707 G708 R710 E719 E738 T742	G707-L740 WeakPolarHBondContact CA-O 3.34Å; G708-L740 PolarHBondContact O-N 3.4Å; R710-L740 HydrophobicContact CB-CD2 3.98Å; R710-L740 HydrophobicContact CB-CG 4.25Å; E719-L740 HydrophobicContact CG-CD1 4.29Å; E738-L740 HydrophobicContact CG-CD2 4.39Å; L740-T742 PolarHBondContact O-N 2.92Å
741	P	94.5	Very high	94.8	Very high	66 Å²	66	39.9 Å²	39.9	43%	0.429	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-63.9	126.7	-175.6	-20.7	31.5	0	0	0	113.9	A680 F681 G707	A680-P741 CarbonylContact O-C 3.53Å; A680-P741 VanDerWaalsContact O-CA 3.32Å; A680-P741 WeakPolarHBondContact O-CA 3.4Å; F681-P741 HydrophobicContact CB-CB 4.14Å; F681-P741 HydrophobicContact CB-CG 3.94Å; G707-P741 PolarHBondContact N-O 3.12Å
742	T	96	Very high	95.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	116.8	164.2	-57.6	0	0	0	0	108.9	Y674 A680 F704 Q705 L740 R747	Y674-T742 WeakPolarHBondContact CB-OG1 3.24Å; A680-T742 PolarHBondContact O-N 2.64Å; F704-T742 HydrophobicContact CB-CG2 4.07Å; F704-T742 HydrophobicContact CD2-CG2 4.4Å; Q705-T742 CarbonylContact O-C 3.53Å; Q705-T742 WeakPolarHBondContact O-CA 3.41Å; L740-T742 PolarHBondContact O-N 2.92Å; T742-R747 HydrophobicContact CG2-CB 4.22Å
743	T	94.6	Very high	95.4	Very high	96 Å²	96	35.7 Å²	35.7	59%	0.589	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	-23.7	-172.2	54.7	0	0	0	0	113.6	Q705	Q705-T743 PolarHBondContact O-N 3.43Å; Q705-T743 PolarHBondContact O-OG1 3.42Å
744	N	95.3	Very high	95.6	Very high	105 Å²	105	28.7 Å²	28.7	56%	0.561	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.3	175.4	-166.5	13.7	0	0	0	110.5	F704 Q705	F704-N744 CarbonylContact C-O 3.56Å; F704-N744 WeakPolarHBondContact CA-O 3.28Å; F704-N744 WeakPolarHBondContact CB-O 3.45Å; Q705-N744 HydrophobicContact CB-CB 3.85Å; Q705-N744 HydrophobicContact CG-CB 3.95Å; Q705-N744 PolarHBondContact N-O 3.07Å
745	G	96	Very high	95.6	Very high	29 Å²	29	28.2 Å²	28.2	30%	0.299	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70	-155.7	179.8	0	0	0	0	0	113.7	P676 D703	P676-G745 WeakPolarHBondContact CD-O 3.23Å; D703-G745 WeakPolarHBondContact O-CA 3.34Å
746	T	96.6	Very high	95.1	Very high	40 Å²	40	31.1 Å²	31.1	25%	0.245	18%	0.182	C	C	.	.			trans	-130.8	127.6	-177.5	-54.4	0	0	0	0	109.8	K673 Y674 T675 N698 D703 Y748	K673-T746 HydrophobicContact CD-CG2 4.39Å; K673-T746 HydrophobicContact CG-CG2 3.76Å; Y674-T746 WeakPolarHBondContact O-CA 3.43Å; T675-T746 HydrophobicContact CG2-CG2 3.72Å; N698-T746 PolarHBondContact ND2-O 3.1Å; D703-T746 PolarHBondContact O-N 2.88Å; D703-T746 VanDerWaalsContact O-N 3.11Å; T746-Y748 HydrophobicContact CG2-CD2 4.18Å; T746-Y748 HydrophobicContact CG2-CE1 4.13Å; T746-Y748 HydrophobicContact CG2-CE2 3.44Å; T746-Y748 VanDerWaalsContact CG2-CE2 3.44Å; T746-Y748 VanDerWaalsContact CG2-CZ 3.41Å; T746-Y748 WeakPolarHBondContact CG2-OH 3.39Å
747	R	97.4	Very high	95.2	Very high	6 Å²	6	29.9 Å²	29.9	2%	0.023	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.2	178.5	175.3	-174	176.6	-157.3	1.3	110.1	Y674 F704 G708 T742 I749	Y674-R747 HydrophobicContact CD2-CG 4.48Å; Y674-R747 PolarHBondContact N-O 2.85Å; Y674-R747 PolarHBondContact O-N 2.89Å; F704-R747 HydrophobicContact CB-CB 4.16Å; F704-R747 HydrophobicContact CD1-CB 3.83Å; F704-R747 HydrophobicContact CD1-CG 4.1Å; F704-R747 HydrophobicContact CD2-CB 3.83Å; F704-R747 HydrophobicContact CD2-CG 4.11Å; F704-R747 HydrophobicContact CE1-CB 4.14Å; F704-R747 HydrophobicContact CE1-CG 3.87Å; F704-R747 HydrophobicContact CE2-CB 4.15Å; F704-R747 HydrophobicContact CE2-CG 3.9Å; F704-R747 HydrophobicContact CG-CB 3.67Å; F704-R747 HydrophobicContact CG-CG 4.22Å; F704-R747 HydrophobicContact CZ-CB 4.3Å; F704-R747 HydrophobicContact CZ-CG 3.77Å; G708-R747 PolarHBondContact O-NH1 3.44Å; G708-R747 PolarHBondContact O-NH2 3.38Å; T742-R747 HydrophobicContact CG2-CB 4.22Å; R747-I749 HydrophobicContact CG-CG2 4.49Å
748	Y	98	Very high	95.2	Very high	23 Å²	23	30.7 Å²	30.7	9%	0.09	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135	174.9	-61.9	-84.4	0	0	0	111.4	V599 E603 W608 V671 V672 K673 L697 N698 T746	V599-Y748 HydrophobicContact CG1-CD1 4.39Å; V599-Y748 HydrophobicContact CG1-CD2 3.93Å; V599-Y748 HydrophobicContact CG1-CE1 4.29Å; V599-Y748 HydrophobicContact CG1-CE2 3.87Å; V599-Y748 HydrophobicContact CG1-CG 4.2Å; V599-Y748 HydrophobicContact CG2-CD1 4.47Å; V599-Y748 HydrophobicContact CG2-CD2 4.17Å; V599-Y748 HydrophobicContact CG2-CG 3.95Å; E603-Y748 VanDerWaalsContact CD-OH 3.31Å; E603-Y748 WeakPolarHBondContact OE1-CE1 3.41Å; E603-Y748 PolarHBondContact OE1-OH 2.93Å; W608-Y748 HydrophobicContact CH2-CD1 4.05Å; W608-Y748 AromaticContact CH2-CE1 3.82Å; W608-Y748 HydrophobicContact CH2-CE1 3.82Å; W608-Y748 AromaticContact CZ2-CE1 3.91Å; W608-Y748 HydrophobicContact CZ2-CE1 3.91Å; V671-Y748 HydrophobicContact CG1-CD1 4.39Å; V672-Y748 WeakPolarHBondContact O-CA 3.41Å; K673-Y748 HydrophobicContact CB-CD1 4.15Å; K673-Y748 HydrophobicContact CB-CE1 3.94Å; K673-Y748 HydrophobicContact CD-CE1 3.84Å; K673-Y748 WeakPolarHBondContact CE-OH 3.21Å; K673-Y748 HydrophobicContact CG-CD1 4.29Å; K673-Y748 HydrophobicContact CG-CE1 3.69Å; L697-Y748 PolarHBondContact N-O 3.4Å; N698-Y748 WeakPolarHBondContact ND2-CD2 3.29Å; N698-Y748 PolarHBondContact OD1-N 3.46Å; T746-Y748 HydrophobicContact CG2-CD2 4.18Å; T746-Y748 HydrophobicContact CG2-CE1 4.13Å; T746-Y748 HydrophobicContact CG2-CE2 3.44Å; T746-Y748 VanDerWaalsContact CG2-CE2 3.44Å; T746-Y748 VanDerWaalsContact CG2-CZ 3.41Å; T746-Y748 WeakPolarHBondContact CG2-OH 3.39Å
749	I	97.7	Very high	95.3	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.7	172.6	58.2	168.3	0	0	0	110.4	V671 V672 Y674 N694 I695 R747 V751	V671-I749 CarbonylContact C-O 3.59Å; V671-I749 VanDerWaalsContact CA-O 3.29Å; V671-I749 WeakPolarHBondContact CA-O 3.26Å; V672-I749 HydrophobicContact CB-CD1 4.35Å; V672-I749 HydrophobicContact CB-CG1 3.84Å; V672-I749 HydrophobicContact CG2-CG1 4.33Å; V672-I749 PolarHBondContact N-O 3.2Å; V672-I749 PolarHBondContact O-N 2.74Å; V672-I749 VanDerWaalsContact O-N 3.15Å; Y674-I749 HydrophobicContact CE2-CD1 3.76Å; Y674-I749 HydrophobicContact CE2-CG1 4.1Å; N694-I749 WeakPolarHBondContact ND2-CD1 3.47Å; I695-I749 CarbonylContact O-C 3.55Å; I695-I749 WeakPolarHBondContact O-CA 3.32Å; R747-I749 HydrophobicContact CG-CG2 4.49Å; I749-V751 HydrophobicContact CD1-CG2 3.67Å; I749-V751 HydrophobicContact CG1-CG2 4.02Å
750	A	97.9	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.7	166.9	0	0	0	0	0	109.2	M632 W641 V671 N694 I695 L697	M632-A750 HydrophobicContact CE-CB 4.48Å; W641-A750 HydrophobicContact CH2-CB 3.81Å; W641-A750 HydrophobicContact CZ2-CB 3.97Å; V671-A750 HydrophobicContact CG2-CB 4.1Å; N694-A750 WeakPolarHBondContact CA-O 3.19Å; I695-A750 HydrophobicContact CB-CB 4.3Å; I695-A750 PolarHBondContact N-O 3.39Å; I695-A750 PolarHBondContact O-N 2.64Å; L697-A750 HydrophobicContact CD1-CB 4.11Å; L697-A750 HydrophobicContact CD2-CB 4.15Å; L697-A750 HydrophobicContact CG-CB 4.32Å
751	V	97	Very high	95.3	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.7	-177.3	-175.5	0	0	0	0	109.4	F670 V672 T692 I693 I749 F753	F670-V751 HydrophobicContact CD2-CB 4.4Å; F670-V751 HydrophobicContact CE1-CB 4.47Å; F670-V751 HydrophobicContact CE1-CG1 4.46Å; F670-V751 HydrophobicContact CE2-CB 3.91Å; F670-V751 HydrophobicContact CE2-CG1 4.32Å; F670-V751 HydrophobicContact CE2-CG2 4.42Å; F670-V751 HydrophobicContact CZ-CB 3.94Å; F670-V751 HydrophobicContact CZ-CG1 3.91Å; F670-V751 PolarHBondContact N-O 3.48Å; F670-V751 VanDerWaalsContact N-O 3.12Å; F670-V751 PolarHBondContact O-N 3.46Å; V672-V751 HydrophobicContact CG2-CG2 4.36Å; T692-V751 HydrophobicContact CG2-CG1 3.89Å; I693-V751 WeakPolarHBondContact O-CA 3.48Å; I749-V751 HydrophobicContact CD1-CG2 3.67Å; I749-V751 HydrophobicContact CG1-CG2 4.02Å; V751-F753 HydrophobicContact CG1-CD1 4.03Å; V751-F753 HydrophobicContact CG1-CE1 3.61Å; V751-F753 HydrophobicContact CG1-CZ 4.43Å
752	S	96.7	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.6	171.5	-52.3	0	0	0	0	111.1	W641 M668 N669 T692 I693	W641-S752 PolarHBondContact NE1-OG 2.99Å; M668-S752 WeakPolarHBondContact O-CA 3.14Å; N669-S752 WeakPolarHBondContact OD1-CB 3.24Å; N669-S752 PolarHBondContact OD1-OG 3.08Å; T692-S752 WeakPolarHBondContact CA-O 3.34Å; I693-S752 PolarHBondContact N-O 3.32Å; I693-S752 VanDerWaalsContact N-O 3.13Å; I693-S752 PolarHBondContact O-N 3.29Å; I693-S752 VanDerWaalsContact O-N 3.09Å
753	F	95.2	Very high	95.4	Very high	30 Å²	30	31.1 Å²	31.1	13%	0.132	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	98.3	174.5	-66.2	-13.5	0	0	0	108.6	A666 M668 F670 D687 T692 V751	A666-F753 WeakPolarHBondContact CA-O 3.23Å; A666-F753 WeakPolarHBondContact CB-O 3.45Å; M668-F753 HydrophobicContact CB-CB 4.14Å; M668-F753 HydrophobicContact CB-CD2 3.81Å; M668-F753 HydrophobicContact CB-CG 4.25Å; M668-F753 HydrophobicContact CG-CD2 4.18Å; M668-F753 PolarHBondContact O-N 3.12Å; M668-F753 VanDerWaalsContact O-N 3.08Å; F670-F753 HydrophobicContact CE1-CD2 4.41Å; F670-F753 HydrophobicContact CE1-CE2 4.19Å; F670-F753 HydrophobicContact CE1-CZ 4.33Å; F670-F753 HydrophobicContact CZ-CE1 4.34Å; F670-F753 HydrophobicContact CZ-CE2 4.15Å; F670-F753 AromaticContact CZ-CZ 3.92Å; F670-F753 HydrophobicContact CZ-CZ 3.92Å; D687-F753 HydrophobicContact CB-CD1 3.93Å; D687-F753 HydrophobicContact CB-CE1 3.7Å; D687-F753 HydrophobicContact CB-CE2 4.48Å; D687-F753 HydrophobicContact CB-CG 4.43Å; D687-F753 HydrophobicContact CB-CZ 3.99Å; D687-F753 WeakPolarHBondContact OD1-CE1 3.16Å; D687-F753 WeakPolarHBondContact OD1-CZ 3.46Å; T692-F753 HydrophobicContact CG2-CD1 3.86Å; T692-F753 HydrophobicContact CG2-CE1 3.91Å; T692-F753 WeakPolarHBondContact OG1-CD1 3.5Å; V751-F753 HydrophobicContact CG1-CD1 4.03Å; V751-F753 HydrophobicContact CG1-CE1 3.61Å; V751-F753 HydrophobicContact CG1-CZ 4.43Å
754	V	94.8	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.9	-171.1	-166.6	0	0	0	0	110.6	L645 Y665 A666 S689 T690 F691	L645-V754 HydrophobicContact CD1-CG2 4.33Å; Y665-V754 WeakPolarHBondContact O-CA 3.48Å; Y665-V754 WeakPolarHBondContact O-CG1 3.42Å; A666-V754 HydrophobicContact CB-CG2 4.35Å; S689-V754 WeakPolarHBondContact CB-O 3.27Å; T690-V754 PolarHBondContact N-O 3.48Å; F691-V754 HydrophobicContact CD1-CB 4.19Å; F691-V754 HydrophobicContact CD1-CG1 4.47Å; F691-V754 HydrophobicContact CD2-CB 4.22Å; F691-V754 HydrophobicContact CD2-CG2 4.45Å; F691-V754 HydrophobicContact CE1-CB 3.71Å; F691-V754 HydrophobicContact CE1-CG1 3.56Å; F691-V754 HydrophobicContact CE2-CB 3.77Å; F691-V754 HydrophobicContact CE2-CG1 4.09Å; F691-V754 HydrophobicContact CE2-CG2 3.88Å; F691-V754 HydrophobicContact CG-CB 4.44Å; F691-V754 HydrophobicContact CZ-CB 3.51Å; F691-V754 HydrophobicContact CZ-CG1 3.35Å; F691-V754 HydrophobicContact CZ-CG2 4.02Å; F691-V754 PolarHBondContact N-O 2.92Å; F691-V754 PolarHBondContact O-N 3.48Å
755	D	93.1	Very high	95.4	Very high	31 Å²	31	19.6 Å²	19.6	17%	0.166	12%	0.12	C	C	.	.			trans	49.8	63.3	-175.4	-62.2	-24.8	0	0	0	112.3	Y660 T662 Y665 T690	Y660-D755 WeakPolarHBondContact OH-CB 3.39Å; Y660-D755 PolarHBondContact OH-OD2 3.03Å; T662-D755 WeakPolarHBondContact CB-OD2 3.13Å; T662-D755 PolarHBondContact OG1-OD2 3.04Å; Y665-D755 PolarHBondContact O-N 3.1Å; T690-D755 VanDerWaalsContact CB-O 3.32Å; T690-D755 WeakPolarHBondContact CB-O 3.47Å; T690-D755 PolarHBondContact N-O 3.5Å; T690-D755 PolarHBondContact OG1-O 3.42Å
756	P	84.8	Confident	95.4	Very high	63 Å²	63	18.7 Å²	18.7	41%	0.409	10%	0.104	S	C	.	.			trans	-67.9	0	-174.8	29.4	-37	0	0	0	116.3	L667 S688 R732	L667-P756 HydrophobicContact CB-CG 4.41Å; L667-P756 HydrophobicContact CD1-CG 4.09Å; L667-P756 HydrophobicContact CG-CG 4.29Å; S688-P756 WeakPolarHBondContact O-CA 3.3Å; S688-P756 WeakPolarHBondContact O-CB 3.49Å; R732-P756 VanDerWaalsContact CZ-OXT 3.22Å; R732-P756 PolarHBondContact NH1-OXT 3.3Å; R732-P756 PolarHBondContact NH2-OXT 3.17Å

Retrieved 756 of 756 residues in 198.5 ms (Link to these results)

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