A0A087YNT9_POEFO Loading...

Histone-arginine methyltransferase CARM1

AlphaFold DB , UniProt , Accession A0A087YNT9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 623 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	32.3	Very low	235 Å²	235	129.4 Å²	129.4	100%	1.158	84%	0.835	S	S	*	*				0	140.1	0	-71.5	179.7	-174.7	0	0	108.1
2	I	34.2	Very low	32	Very low	164 Å²	164	126.2 Å²	126.2	84%	0.841	83%	0.828	S	S	*	*			trans	59.8	98.7	157.3	-53.9	170	0	0	0	117.1
3	S	32.6	Very low	31.6	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	83%	0.833	S	S	*	*			trans	-88.8	-167.2	137.5	-40.8	0	0	0	0	107.9
4	P	56.8	Low	31.3	Very low	111 Å²	111	138.1 Å²	138.1	72%	0.721	83%	0.834	S	S	*	*			cis	-143.6	-157.4	-3.5	25.6	3.1	0	0	0	114.1
5	V	32.3	Very low	31.1	Very low	144 Å²	144	138.1 Å²	138.1	87%	0.873	83%	0.826	S	S	*	*			trans	76.8	140.9	156.3	-163.9	0	0	0	0	116.1
6	G	27.6	Very low	30.9	Very low	75 Å²	75	139.3 Å²	139.3	77%	0.773	83%	0.827	S	S	*	*			cis	176.9	173.6	-2.2	0	0	0	0	0	106.4
7	G	26.4	Very low	30.6	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	82%	0.821	S	S	*	*			cis	151.5	126.3	11.7	0	0	0	0	0	108.3
8	A	28.2	Very low	30.3	Very low	104 Å²	104	134.9 Å²	134.9	86%	0.86	82%	0.824	S	S	*	*			trans	60	167	154.3	0	0	0	0	0	118.6
9	V	28.3	Very low	30.5	Very low	121 Å²	121	134.4 Å²	134.4	73%	0.733	82%	0.823	S	S	*	*			cis	-147.8	124.9	14.7	175.2	0	0	0	0	106.3
10	E	27.3	Very low	30.6	Very low	186 Å²	186	132.4 Å²	132.4	87%	0.869	82%	0.821	S	S	*	*				52	124.7	99.9	-152.2	-177.8	-162.6	0	0	117.9
11	A	27.9	Very low	30.4	Very low	105 Å²	105	131.8 Å²	131.8	87%	0.868	82%	0.822	S	S	*	*			trans	170.8	147.2	135.7	0	0	0	0	0	111.6
12	A	27.9	Very low	30.1	Very low	91 Å²	91	125.7 Å²	125.7	75%	0.752	80%	0.803	S	S	*	*			trans	-114.6	161.5	-177.3	0	0	0	0	0	112.6
13	H	27.8	Very low	29.7	Very low	192 Å²	192	129.6 Å²	129.6	89%	0.889	81%	0.807	S	S	*	*			trans	-154.7	134.2	143.6	-115.2	-73.7	0	0	0	112.9
14	R	26.8	Very low	29.4	Very low	227 Å²	227	133.1 Å²	133.1	86%	0.857	81%	0.812	S	S	*	*			trans	-85.1	162	163.8	-70.5	175.5	171.5	177.1	-3.3	109.9
15	I	28.6	Very low	28	Very low	138 Å²	138	137 Å²	137	71%	0.708	82%	0.82	S	S	*	*				163	130.9	114.7	-86.6	170.1	0	0	0	111
16	D	27.1	Very low	27.6	Very low	157 Å²	157	135.1 Å²	135.1	84%	0.84	81%	0.812	S	S	*	*			trans	44.7	158.5	154.2	-52	-11.2	0	0	0	121.2
17	G	25.6	Very low	27.7	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	82%	0.819	S	S	*	*			cis	-178.7	169.4	0.9	0	0	0	0	0	111.5
18	C	26.1	Very low	27.7	Very low	129 Å²	129	142.9 Å²	142.9	87%	0.872	82%	0.822	S	S	*	*			trans	-63.6	167.3	179.9	-118.7	0	0	0	0	113.5
19	P	34.9	Very low	27.6	Very low	125 Å²	125	141 Å²	141	81%	0.812	81%	0.813	S	S	*	*				-151.3	-179.5	54.9	41.6	-20.4	0	0	0	118
20	A	30.9	Very low	27.4	Very low	95 Å²	95	147.2 Å²	147.2	79%	0.785	82%	0.823	S	S	*	*			trans	-106.4	146.5	167.4	0	0	0	0	0	111.7
21	S	27.1	Very low	27.5	Very low	119 Å²	119	146.8 Å²	146.8	83%	0.832	82%	0.821	S	S	*	*			trans	-162.8	145.6	148.9	65.5	0	0	0	0	114.1
22	S	27.4	Very low	27.4	Very low	108 Å²	108	153.2 Å²	153.2	76%	0.755	82%	0.823	S	S	*	*			trans	-40.6	150.9	168.9	50.1	0	0	0	0	118.3
23	R	26.9	Very low	27.5	Very low	245 Å²	245	160.3 Å²	160.3	93%	0.925	83%	0.831	S	S	*	*			trans	-152.3	138.1	140.8	-111.7	174	-164.6	-165.9	3.5	113.1
24	E	25.2	Very low	27.4	Very low	180 Å²	180	162.5 Å²	162.5	84%	0.841	83%	0.831	S	S	*	*			trans	-74.1	155.5	171.7	-56.7	164.1	114.7	0	0	110.9
25	H	28.5	Very low	27.5	Very low	191 Å²	191	157.5 Å²	157.5	88%	0.884	83%	0.828	S	S	*	*			trans	-146.6	123.5	149.8	-105.2	-74.6	0	0	0	111.6
26	C	24.1	Very low	27.5	Very low	106 Å²	106	155.7 Å²	155.7	72%	0.716	83%	0.833	S	S	*	*			trans	-84.7	134.5	176.5	-175.5	0	0	0	0	110.5
27	L	27.7	Very low	27.5	Very low	175 Å²	175	153.4 Å²	153.4	92%	0.916	83%	0.83	S	S	*	*			trans	-137.6	124.6	164.8	-86.6	174.3	0	0	0	110.5
28	V	27.6	Very low	27.8	Very low	135 Å²	135	156.4 Å²	156.4	82%	0.818	83%	0.834	S	S	*	*			trans	-98.9	134.2	-174.3	172.4	0	0	0	0	111.1
29	G	24.9	Very low	27.9	Very low	65 Å²	65	155.6 Å²	155.6	67%	0.67	83%	0.83	S	S	*	*			trans	90	99.6	138.7	0	0	0	0	0	119
30	R	25.3	Very low	27.8	Very low	251 Å²	251	160.9 Å²	160.9	95%	0.947	83%	0.834	S	S	*	*				-163.1	116	120.3	-112.9	172.3	178.8	178.1	0.4	112	R32	R30-R32 PolarHBondContact O-N 3.42Å
31	E	28.4	Very low	28.1	Very low	178 Å²	178	161.3 Å²	161.3	83%	0.832	83%	0.831	S	S	*	*			trans	-64.8	131.3	173.2	-68.3	174.3	97.5	0	0	111.5
32	R	27.4	Very low	28.7	Very low	240 Å²	240	165.5 Å²	165.5	91%	0.906	83%	0.834	S	S	*	*			trans	-128.1	106.3	152	-83.8	-172.3	170.5	-176.4	-2.4	108.3	R30 R34	R30-R32 PolarHBondContact O-N 3.42Å; R32-R34 PolarHBondContact O-N 3.49Å; R32-R34 VanDerWaalsContact O-N 3.16Å
33	R	28.9	Very low	30.1	Very low	240 Å²	240	165.6 Å²	165.6	91%	0.906	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-51.9	117.7	173.8	-66.7	177.5	176.8	178.6	-2.6	109.6
34	R	26.7	Very low	31.8	Very low	237 Å²	237	156.6 Å²	156.6	89%	0.894	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-94.1	136.2	159	-70.6	-174	178.2	-173.5	0.5	107.7	R32	R32-R34 PolarHBondContact O-N 3.49Å; R32-R34 VanDerWaalsContact O-N 3.16Å
35	P	27.6	Very low	34.5	Very low	123 Å²	123	151.5 Å²	151.5	80%	0.799	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.9	145.5	-178.1	29.4	-34.5	0	0	0	111	S37	P35-S37 PolarHBondContact O-N 3.39Å; P35-S37 VanDerWaalsContact O-N 3.08Å
36	A	29.4	Very low	37.2	Very low	99 Å²	99	143.9 Å²	143.9	82%	0.818	75%	0.751	S	S	*	*			trans	-68.7	103.7	172.2	0	0	0	0	0	109.9	T38	A36-T38 PolarHBondContact O-N 3.18Å
37	S	27.6	Very low	40.2	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	74%	0.736	S	S	*	*			trans	-80.5	97.7	170.3	57.6	0	0	0	0	109.7	P35 S39	P35-S37 PolarHBondContact O-N 3.39Å; P35-S37 VanDerWaalsContact O-N 3.08Å; S37-S39 VanDerWaalsContact C-N 3.31Å; S37-S39 PolarHBondContact O-N 3.04Å
38	T	30.3	Very low	43.1	Very low	133 Å²	133	134.2 Å²	134.2	82%	0.816	70%	0.695	S	S	*	*			trans	-67.7	90.1	164.4	40.9	0	0	0	0	109.3	A36 R40	A36-T38 PolarHBondContact O-N 3.18Å; T38-R40 VanDerWaalsContact C-N 3.29Å; T38-R40 PolarHBondContact O-N 3.2Å
39	S	29.5	Very low	45.9	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	69%	0.689	S	S	*	*			trans	-69.8	87.3	172.4	56.6	0	0	0	0	109.8	S37 S41	S37-S39 VanDerWaalsContact C-N 3.31Å; S37-S39 PolarHBondContact O-N 3.04Å; S39-S41 PolarHBondContact O-N 3.21Å; S39-S41 VanDerWaalsContact O-N 3.08Å
40	R	32.6	Very low	48.7	Very low	236 Å²	236	134.5 Å²	134.5	89%	0.891	67%	0.667	S	S	*	*			trans	-54.2	114.1	158.3	-79.6	-178	170.3	177.3	-3.1	107.3	T38 K42	T38-R40 VanDerWaalsContact C-N 3.29Å; T38-R40 PolarHBondContact O-N 3.2Å; R40-K42 PolarHBondContact O-N 3.44Å
41	S	36.6	Very low	51.6	Low	105 Å²	105	122.5 Å²	122.5	73%	0.734	62%	0.622	S	S	*	*			trans	-60	129.7	169.4	54	0	0	0	0	108.2	S39 M43	S39-S41 PolarHBondContact O-N 3.21Å; S39-S41 VanDerWaalsContact O-N 3.08Å; S41-M43 PolarHBondContact O-N 3.02Å; S41-M43 VanDerWaalsContact O-N 3.07Å
42	K	40.7	Very low	54.3	Low	206 Å²	206	119.2 Å²	119.2	90%	0.896	60%	0.602	S	S	*	*			trans	-72.6	100.9	170.8	-74.6	-176.7	176.5	-179.7	0	107.1	R40 A44	R40-K42 PolarHBondContact O-N 3.44Å; K42-A44 PolarHBondContact O-N 2.84Å
43	M	56	Low	56.9	Low	111 Å²	111	109 Å²	109	55%	0.547	57%	0.565	S	S	.	*			trans	-56.4	125.8	166.1	-76.6	-179.9	172.1	0	0	108.6	S41	S41-M43 PolarHBondContact O-N 3.02Å; S41-M43 VanDerWaalsContact O-N 3.07Å
44	A	62.9	Low	59.2	Low	56 Å²	56	99.2 Å²	99.2	46%	0.463	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.7	169.7	0	0	0	0	0	108.7	K42 T78	K42-A44 PolarHBondContact O-N 2.84Å; A44-T78 PolarHBondContact O-N 3.11Å; A44-T78 PolarHBondContact O-OG1 3.33Å
45	V	80.9	Confident	61.2	Low	72 Å²	72	89.9 Å²	89.9	44%	0.436	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.1	177.3	-173.7	0	0	0	0	107.6	V47 V76 K77	V45-V47 HydrophobicContact CG1-CG2 4.38Å; V45-V76 WeakPolarHBondContact CA-O 3.32Å; V45-K77 HydrophobicContact CG1-CG 4.07Å; V45-K77 HydrophobicContact CG2-CD 4.27Å; V45-K77 HydrophobicContact CG2-CG 4.05Å
46	S	85.8	Confident	62.7	Low	32 Å²	32	85.8 Å²	85.8	22%	0.224	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.2	174.7	-59.3	0	0	0	0	109.6	E75 V76 L139	S46-E75 WeakPolarHBondContact O-CA 3.37Å; S46-V76 PolarHBondContact N-O 3.42Å; S46-V76 PolarHBondContact O-N 3.23Å; S46-L139 VanDerWaalsContact CB-CD1 3.48Å; S46-L139 VanDerWaalsContact OG-CD1 3.31Å; S46-L139 WeakPolarHBondContact OG-CD1 3.35Å
47	V	87.4	Confident	63.9	Low	64 Å²	64	82 Å²	82	39%	0.388	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.5	-174.4	-175.1	0	0	0	0	109.9	V45 R73 L74 E75	V45-V47 HydrophobicContact CG1-CG2 4.38Å; V47-R73 HydrophobicContact CG1-CG 3.76Å; V47-L74 CarbonylContact C-O 3.57Å; V47-L74 WeakPolarHBondContact CA-O 3.38Å; V47-E75 HydrophobicContact CG2-CG 4.29Å
48	F	88.4	Confident	65	Low	13 Å²	13	81.3 Å²	81.3	6%	0.057	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.3	176.8	-56.8	-81.3	0	0	0	109.3	V51 L74 V76 F127 D132 F136 L139	F48-V51 HydrophobicContact CB-CG2 3.88Å; F48-L74 HydrophobicContact CB-CB 4.22Å; F48-L74 HydrophobicContact CB-CD2 4.38Å; F48-L74 HydrophobicContact CB-CG 4.48Å; F48-L74 HydrophobicContact CD2-CD2 4.05Å; F48-L74 HydrophobicContact CD2-CG 4.17Å; F48-L74 PolarHBondContact N-O 3.12Å; F48-L74 PolarHBondContact O-N 3.38Å; F48-V76 HydrophobicContact CD2-CG2 4.3Å; F48-V76 HydrophobicContact CE2-CG2 4.09Å; F48-F127 HydrophobicContact CB-CE1 4.28Å; F48-F127 HydrophobicContact CD1-CE1 4.46Å; F48-F127 HydrophobicContact CD2-CE1 4.48Å; F48-F127 HydrophobicContact CG-CE1 4.14Å; F48-D132 HydrophobicContact CD1-CB 3.96Å; F48-D132 HydrophobicContact CE1-CB 4.5Å; F48-D132 WeakPolarHBondContact CE1-O 3.39Å; F48-F136 HydrophobicContact CD2-CB 4.41Å; F48-F136 HydrophobicContact CD2-CD2 4.27Å; F48-F136 HydrophobicContact CE1-CB 4.15Å; F48-F136 HydrophobicContact CE2-CB 3.89Å; F48-F136 AromaticContact CE2-CD2 3.98Å; F48-F136 HydrophobicContact CE2-CD2 3.98Å; F48-F136 HydrophobicContact CE2-CG 4.45Å; F48-F136 HydrophobicContact CZ-CB 3.74Å; F48-L139 HydrophobicContact CE2-CD1 4.02Å; F48-L139 HydrophobicContact CZ-CD1 3.77Å
49	R	86.3	Confident	65.8	Low	186 Å²	186	79.4 Å²	79.4	70%	0.702	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	141	-178	-66.4	-177.6	-179.9	-113.8	2.4	110.7	S128	R49-S128 PolarHBondContact O-OG 3.48Å; R49-S128 VanDerWaalsContact O-OG 3.08Å
50	G	83.3	Confident	66.7	Low	20 Å²	20	80.4 Å²	80.4	21%	0.206	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.5	22.1	179.3	0	0	0	0	0	114.1	L72	G50-L72 PolarHBondContact N-O 2.89Å
51	V	85.8	Confident	67.6	Low	0 Å²	0	72 Å²	72	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135	172.1	-176.9	0	0	0	0	108.5	F48 L72 L74 L87 L125 Q126 F127	F48-V51 HydrophobicContact CB-CG2 3.88Å; V51-L72 PolarHBondContact N-O 3.45Å; V51-L72 WeakPolarHBondContact O-CB 3.27Å; V51-L72 PolarHBondContact O-N 3.01Å; V51-L74 HydrophobicContact CB-CB 4.14Å; V51-L74 HydrophobicContact CG1-CD2 4.35Å; V51-L74 HydrophobicContact CG2-CB 3.79Å; V51-L74 HydrophobicContact CG2-CD2 4.02Å; V51-L87 HydrophobicContact CB-CD2 4.32Å; V51-L87 HydrophobicContact CG1-CD2 3.93Å; V51-L125 HydrophobicContact CG1-CB 4.27Å; V51-L125 HydrophobicContact CG1-CD2 4.37Å; V51-Q126 CarbonylContact C-O 3.55Å; V51-Q126 WeakPolarHBondContact CA-O 3.37Å; V51-F127 HydrophobicContact CG2-CD1 3.88Å; V51-F127 HydrophobicContact CG2-CE1 3.9Å; V51-F127 HydrophobicContact CG2-CG 4.5Å
52	R	85.8	Confident	68.2	Low	108 Å²	108	71.9 Å²	71.9	41%	0.408	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	142	174.5	-60	-178.2	179.8	-143.7	-2.8	109.8	Q69 Q126	R52-Q69 VanDerWaalsContact NH1-OE1 3.15Å; R52-Q126 HydrophobicContact CB-CB 4.35Å; R52-Q126 PolarHBondContact N-O 3.39Å; R52-Q126 PolarHBondContact O-N 3.14Å
53	L	82.3	Confident	69	Low	25 Å²	25	66.5 Å²	66.5	13%	0.131	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.2	177.2	-167.1	71	0	0	0	109.4	L72 L87 V95 F96 V123 L125	L53-L72 HydrophobicContact CB-CD1 3.84Å; L53-L87 HydrophobicContact CD1-CD1 4.46Å; L53-L87 HydrophobicContact CD1-CD2 4.36Å; L53-V95 HydrophobicContact CD2-CG1 4.18Å; L53-F96 HydrophobicContact CD1-CB 4.32Å; L53-F96 HydrophobicContact CD1-CD1 4.39Å; L53-F96 HydrophobicContact CD1-CG 4.28Å; L53-F96 HydrophobicContact CD2-CB 3.71Å; L53-F96 HydrophobicContact CD2-CG 4.34Å; L53-V123 HydrophobicContact CD1-CG1 3.31Å; L53-V123 HydrophobicContact CG-CG1 4.22Å; L53-L125 HydrophobicContact CD1-CD2 3.59Å
54	L	78.3	Confident	69	Low	36 Å²	36	67.7 Å²	67.7	19%	0.188	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.9	175.3	-67.6	162.7	0	0	0	107.8	I63 R65 L124	L54-I63 HydrophobicContact CB-CG2 4.33Å; L54-I63 HydrophobicContact CD2-CG2 4.45Å; L54-R65 HydrophobicContact CD2-CG 4.33Å; L54-L124 HydrophobicContact CB-CB 4.11Å; L54-L124 HydrophobicContact CD1-CD2 4Å; L54-L124 PolarHBondContact N-O 3.23Å; L54-L124 PolarHBondContact O-N 2.8Å
55	S	67.5	Low	68.6	Low	40 Å²	40	74 Å²	74	28%	0.28	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.3	176.1	-161.7	0	0	0	0	110.1	Q64	S55-Q64 PolarHBondContact N-O 2.68Å; S55-Q64 CarbonylContact O-C 3.56Å; S55-Q64 PolarHBondContact O-N 3.07Å; S55-Q64 VanDerWaalsContact O-O 3.09Å
56	I	60.3	Low	67.4	Low	38 Å²	38	74.7 Å²	74.7	20%	0.195	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.6	174.4	-54.7	179.9	0	0	0	106.1	I63 I115 S122 L124	I56-I63 HydrophobicContact CG1-CG1 4.33Å; I56-I115 HydrophobicContact CD1-CD1 3.9Å; I56-S122 PolarHBondContact N-O 3.13Å; I56-S122 PolarHBondContact O-N 3.07Å; I56-L124 HydrophobicContact CD1-CB 4.47Å
57	G	52.8	Low	65.6	Low	19 Å²	19	78.7 Å²	78.7	20%	0.196	43%	0.425	C	S	.	.			trans	-92.6	146.5	-172.4	0	0	0	0	0	113.5	A59	G57-A59 VanDerWaalsContact C-N 3.27Å; G57-A59 PolarHBondContact O-N 2.96Å; G57-A59 VanDerWaalsContact O-N 3.09Å
58	D	52.4	Low	63.8	Low	96 Å²	96	80.6 Å²	80.6	51%	0.513	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.5	-152.6	-37.3	2.1	0	0	0	115	C120	D58-C120 VanDerWaalsContact CG-O 3.3Å; D58-C120 WeakPolarHBondContact OD2-CB 2.96Å
59	A	46.3	Very low	62.3	Low	92 Å²	92	85.8 Å²	85.8	76%	0.76	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-35.3	-167	0	0	0	0	0	115.5	G57	G57-A59 VanDerWaalsContact C-N 3.27Å; G57-A59 PolarHBondContact O-N 2.96Å; G57-A59 VanDerWaalsContact O-N 3.09Å
60	N	48.1	Very low	61.3	Low	134 Å²	134	81.8 Å²	81.8	72%	0.717	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-7.6	-170.9	-72.2	-3.7	0	0	0	114.6	D62	N60-D62 HydrophobicContact CB-CB 4.47Å; N60-D62 WeakPolarHBondContact CB-OD2 3.35Å; N60-D62 PolarHBondContact O-N 2.76Å
61	G	51.4	Low	61.1	Low	59 Å²	59	85.2 Å²	85.2	61%	0.608	46%	0.462	S	S	*	.			trans	74.6	1.4	-170.1	0	0	0	0	0	114.7	I63	G61-I63 PolarHBondContact O-N 3.11Å
62	D	50.2	Low	61.1	Low	102 Å²	102	85.8 Å²	85.8	55%	0.545	47%	0.465	S	S	.	.			trans	-68.1	127	175.4	-74.2	-50.4	0	0	0	111.6	N60 Q64	N60-D62 HydrophobicContact CB-CB 4.47Å; N60-D62 WeakPolarHBondContact CB-OD2 3.35Å; N60-D62 PolarHBondContact O-N 2.76Å; D62-Q64 PolarHBondContact O-N 3.02Å
63	I	57	Low	61.1	Low	94 Å²	94	84 Å²	84	48%	0.482	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	98.8	173.2	-56.1	175	0	0	0	108.4	L54 I56 G61 R65	L54-I63 HydrophobicContact CB-CG2 4.33Å; L54-I63 HydrophobicContact CD2-CG2 4.45Å; I56-I63 HydrophobicContact CG1-CG1 4.33Å; G61-I63 PolarHBondContact O-N 3.11Å; I63-R65 PolarHBondContact O-N 2.73Å
64	Q	55	Low	61.4	Low	135 Å²	135	82.9 Å²	82.9	63%	0.631	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	101.6	172.3	-67.5	-162.7	9	0	0	109.7	S55 D62 H66	S55-Q64 PolarHBondContact N-O 2.68Å; S55-Q64 CarbonylContact O-C 3.56Å; S55-Q64 PolarHBondContact O-N 3.07Å; S55-Q64 VanDerWaalsContact O-O 3.09Å; D62-Q64 PolarHBondContact O-N 3.02Å; Q64-H66 PolarHBondContact O-N 2.8Å
65	R	55.8	Low	61.9	Low	190 Å²	190	82.3 Å²	82.3	72%	0.717	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	118	172.6	-61.3	178.9	-176.7	-177.7	0.4	108.2	L54 I63 S67	L54-R65 HydrophobicContact CD2-CG 4.33Å; I63-R65 PolarHBondContact O-N 2.73Å; R65-S67 PolarHBondContact O-N 2.94Å
66	H	55.1	Low	62.9	Low	86 Å²	86	80.4 Å²	80.4	40%	0.398	44%	0.436	S	S	.	.			trans	-55.8	136.7	171.9	-154.5	-95.8	0	0	0	108.7	Q64 E68	Q64-H66 PolarHBondContact O-N 2.8Å; H66-E68 PolarHBondContact O-N 3.04Å
67	S	47.3	Very low	64.2	Low	115 Å²	115	82.4 Å²	82.4	80%	0.804	44%	0.443	S	S	*	.	S	Bend	trans	-62.6	-13.2	-168.3	43	0	0	0	0	114.3	R65	R65-S67 PolarHBondContact O-N 2.94Å
68	E	50	Low	65.5	Low	104 Å²	104	82.7 Å²	82.7	49%	0.486	44%	0.441	S	S	.	.			trans	-115.1	102.6	174.5	-68.9	-179.4	176.1	0	0	110	H66 Q70	H66-E68 PolarHBondContact O-N 3.04Å; E68-Q70 HydrophobicContact CB-CG 4.21Å; E68-Q70 PolarHBondContact O-N 3.44Å
69	Q	57.4	Low	66.7	Low	122 Å²	122	80.7 Å²	80.7	57%	0.57	44%	0.435	S	S	*	.			trans	-72	27.4	168.5	-63.2	-167	12.4	0	0	112.8	R52	R52-Q69 VanDerWaalsContact NH1-OE1 3.15Å
70	Q	66.1	Low	67.7	Low	102 Å²	102	84.8 Å²	84.8	48%	0.477	44%	0.438	S	S	.	.			trans	-71.3	140.3	-176.1	-67.2	-163.5	28.1	0	0	110.5	E68 L72	E68-Q70 HydrophobicContact CB-CG 4.21Å; E68-Q70 PolarHBondContact O-N 3.44Å; Q70-L72 PolarHBondContact O-N 3.3Å; Q70-L72 VanDerWaalsContact O-N 3.12Å
71	P	77.8	Confident	68.9	Low	92 Å²	92	84.5 Å²	84.5	60%	0.597	44%	0.436	S	S	*	.			trans	-65.3	109.7	174.4	25.3	-32.1	0	0	0	110.2
72	L	85.4	Confident	70.3	Confident	13 Å²	13	82.5 Å²	82.5	7%	0.068	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	156.5	179.3	-57.7	174.9	0	0	0	111.5	G50 V51 L53 Q70 L87 N89 V95	G50-L72 PolarHBondContact N-O 2.89Å; V51-L72 PolarHBondContact N-O 3.45Å; V51-L72 WeakPolarHBondContact O-CB 3.27Å; V51-L72 PolarHBondContact O-N 3.01Å; L53-L72 HydrophobicContact CB-CD1 3.84Å; Q70-L72 PolarHBondContact O-N 3.3Å; Q70-L72 VanDerWaalsContact O-N 3.12Å; L72-L87 HydrophobicContact CB-CB 4.4Å; L72-L87 HydrophobicContact CB-CD2 4.01Å; L72-L87 HydrophobicContact CD1-CB 4.1Å; L72-L87 HydrophobicContact CD1-CD2 3.74Å; L72-N89 HydrophobicContact CD2-CB 4.25Å; L72-V95 HydrophobicContact CD1-CB 4.48Å; L72-V95 HydrophobicContact CD1-CG1 4.41Å; L72-V95 HydrophobicContact CD2-CG2 4.06Å
73	R	87.3	Confident	72.1	Confident	71 Å²	71	77.6 Å²	77.6	27%	0.268	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.8	168.1	175.1	177.5	167.7	-172.4	-9.7	108.1	V47 E75 L87 S88 E92	V47-R73 HydrophobicContact CG1-CG 3.76Å; R73-E75 IonicContact CZ-OE1 3.34Å; R73-E75 IonicContact NE-OE1 2.74Å; R73-E75 PolarHBondContact NE-OE1 2.78Å; R73-E75 IonicContact NH2-OE1 3.06Å; R73-E75 PolarHBondContact NH2-OE1 3.48Å; R73-L87 CarbonylContact O-C 3.57Å; R73-L87 WeakPolarHBondContact O-CA 3.28Å; R73-S88 PolarHBondContact N-O 3.27Å; R73-S88 PolarHBondContact O-N 3.33Å; R73-E92 IonicContact CZ-OE1 3.63Å; R73-E92 IonicContact NH1-OE1 3.26Å; R73-E92 PolarHBondContact NH1-OE1 3.27Å; R73-E92 IonicContact NH2-OE1 3.93Å
74	L	88.3	Confident	73.5	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.8	174.1	164.9	60.6	0	0	0	109.4	V47 F48 V51 V76 I85 L87 F127 F136	V47-L74 CarbonylContact C-O 3.57Å; V47-L74 WeakPolarHBondContact CA-O 3.38Å; F48-L74 HydrophobicContact CB-CB 4.22Å; F48-L74 HydrophobicContact CB-CD2 4.38Å; F48-L74 HydrophobicContact CB-CG 4.48Å; F48-L74 HydrophobicContact CD2-CD2 4.05Å; F48-L74 HydrophobicContact CD2-CG 4.17Å; F48-L74 PolarHBondContact N-O 3.12Å; F48-L74 PolarHBondContact O-N 3.38Å; V51-L74 HydrophobicContact CB-CB 4.14Å; V51-L74 HydrophobicContact CG1-CD2 4.35Å; V51-L74 HydrophobicContact CG2-CB 3.79Å; V51-L74 HydrophobicContact CG2-CD2 4.02Å; L74-V76 HydrophobicContact CD1-CG2 4.05Å; L74-V76 HydrophobicContact CD2-CG2 4.38Å; L74-V76 HydrophobicContact CG-CG2 4.09Å; L74-I85 HydrophobicContact CD1-CG2 3.66Å; L74-L87 HydrophobicContact CB-CD2 4.46Å; L74-L87 HydrophobicContact CB-CG 4.12Å; L74-L87 HydrophobicContact CD1-CD1 3.9Å; L74-L87 HydrophobicContact CD1-CG 4Å; L74-F127 HydrophobicContact CD2-CE1 3.83Å; L74-F127 HydrophobicContact CD2-CZ 3.73Å; L74-F136 HydrophobicContact CD2-CD2 3.84Å; L74-F136 HydrophobicContact CD2-CE2 3.75Å
75	E	89	Confident	75.2	Confident	25 Å²	25	70.3 Å²	70.3	12%	0.117	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.8	165.7	-52.9	-157.6	148.5	0	0	110.5	S46 V47 R73 K77 N86	S46-E75 WeakPolarHBondContact O-CA 3.37Å; V47-E75 HydrophobicContact CG2-CG 4.29Å; R73-E75 IonicContact CZ-OE1 3.34Å; R73-E75 IonicContact NE-OE1 2.74Å; R73-E75 PolarHBondContact NE-OE1 2.78Å; R73-E75 IonicContact NH2-OE1 3.06Å; R73-E75 PolarHBondContact NH2-OE1 3.48Å; E75-K77 WeakPolarHBondContact OE2-CE 3.41Å; E75-K77 IonicContact OE2-NZ 2.67Å; E75-K77 PolarHBondContact OE2-NZ 2.61Å; E75-N86 PolarHBondContact N-O 2.87Å; E75-N86 PolarHBondContact O-N 3.02Å
76	V	88.9	Confident	76.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.4	172.5	-174.3	0	0	0	0	108.4	V45 S46 F48 L74 T78 A83 L84 F136	V45-V76 WeakPolarHBondContact CA-O 3.32Å; S46-V76 PolarHBondContact N-O 3.42Å; S46-V76 PolarHBondContact O-N 3.23Å; F48-V76 HydrophobicContact CD2-CG2 4.3Å; F48-V76 HydrophobicContact CE2-CG2 4.09Å; L74-V76 HydrophobicContact CD1-CG2 4.05Å; L74-V76 HydrophobicContact CD2-CG2 4.38Å; L74-V76 HydrophobicContact CG-CG2 4.09Å; V76-T78 HydrophobicContact CG1-CG2 4.14Å; V76-A83 HydrophobicContact CG1-CB 4.07Å; V76-L84 WeakPolarHBondContact CA-O 3.39Å; V76-F136 HydrophobicContact CG2-CD2 3.79Å; V76-F136 HydrophobicContact CG2-CE2 3.76Å
77	K	87.1	Confident	78.3	Confident	79 Å²	79	58.8 Å²	58.8	34%	0.343	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110.5	176.4	-53	-171.7	177.7	171	0	108.3	V45 E75 L84	V45-K77 HydrophobicContact CG1-CG 4.07Å; V45-K77 HydrophobicContact CG2-CD 4.27Å; V45-K77 HydrophobicContact CG2-CG 4.05Å; E75-K77 WeakPolarHBondContact OE2-CE 3.41Å; E75-K77 IonicContact OE2-NZ 2.67Å; E75-K77 PolarHBondContact OE2-NZ 2.61Å; K77-L84 HydrophobicContact CB-CB 4.28Å; K77-L84 PolarHBondContact N-O 3.34Å; K77-L84 PolarHBondContact O-N 3.5Å
78	T	80.1	Confident	80.1	Confident	26 Å²	26	53.5 Å²	53.5	16%	0.16	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.5	-172.9	53.5	0	0	0	0	111.3	A44 V76 L139 C143	A44-T78 PolarHBondContact O-N 3.11Å; A44-T78 PolarHBondContact O-OG1 3.33Å; V76-T78 HydrophobicContact CG1-CG2 4.14Å; T78-L139 HydrophobicContact CG2-CD2 4.22Å; T78-C143 WeakPolarHBondContact CB-SG 3.33Å; T78-C143 WeakPolarHBondContact CG2-SG 3.37Å
79	S	76.5	Confident	81.6	Confident	54 Å²	54	50.1 Å²	50.1	38%	0.378	26%	0.258	S	S	.	.			trans	-106.3	-175.5	161.4	72.8	0	0	0	0	110.1	A82 C143	S79-A82 PolarHBondContact N-O 3.26Å; S79-A82 PolarHBondContact OG-N 2.94Å; S79-A82 PolarHBondContact OG-O 2.92Å; S79-A82 VanDerWaalsContact OG-O 3.04Å; S79-C143 PolarHBondContact O-SG 3.29Å
80	Q	67.1	Low	82.1	Confident	178 Å²	178	48 Å²	48	83%	0.832	27%	0.269	S	S	*	.	S	Bend	trans	-64.3	-38.9	177.7	-74.2	176.8	-71.4	0	0	112.4
81	D	73.3	Confident	82.4	Confident	128 Å²	128	51 Å²	51	68%	0.684	28%	0.283	S	S	*	.	S	Bend	trans	-113.3	-5.8	-169.7	-46.5	-64.1	0	0	0	114.4	C143	D81-C143 CarbonylContact C-O 3.52Å
82	A	82.4	Confident	82	Confident	16 Å²	16	53 Å²	53	13%	0.132	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	155.2	-177.5	0	0	0	0	0	113.5	S79 V100	S79-A82 PolarHBondContact N-O 3.26Å; S79-A82 PolarHBondContact OG-N 2.94Å; S79-A82 PolarHBondContact OG-O 2.92Å; S79-A82 VanDerWaalsContact OG-O 3.04Å; A82-V100 CarbonylContact C-O 3.55Å; A82-V100 WeakPolarHBondContact CA-O 3.37Å
83	A	86.5	Confident	81.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.1	167.2	0	0	0	0	0	110	V76 I85 V100 L140 C143	V76-A83 HydrophobicContact CG1-CB 4.07Å; A83-I85 PolarHBondContact O-N 2.97Å; A83-V100 PolarHBondContact N-O 3.47Å; A83-V100 PolarHBondContact O-N 2.99Å; A83-L140 HydrophobicContact CB-CD2 3.38Å; A83-C143 HydrophobicContact CB-CB 4.05Å
84	L	88.3	Confident	81.2	Confident	76 Å²	76	55.8 Å²	55.8	40%	0.398	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.4	172	-66.4	172.5	0	0	0	109	V76 K77	V76-L84 WeakPolarHBondContact CA-O 3.39Å; K77-L84 HydrophobicContact CB-CB 4.28Å; K77-L84 PolarHBondContact N-O 3.34Å; K77-L84 PolarHBondContact O-N 3.5Å
85	I	90.8	Very high	80.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.9	178.6	-69.3	-175.6	0	0	0	108.3	L74 A83 L87 F96 K97 C98 V100 I116 F136 L140	L74-I85 HydrophobicContact CD1-CG2 3.66Å; A83-I85 PolarHBondContact O-N 2.97Å; I85-L87 HydrophobicContact CG2-CD1 3.9Å; I85-F96 HydrophobicContact CG2-CD1 4.47Å; I85-F96 HydrophobicContact CG2-CE1 4.36Å; I85-K97 VanDerWaalsContact O-CA 3.26Å; I85-K97 WeakPolarHBondContact O-CA 3.47Å; I85-K97 WeakPolarHBondContact O-CG 3.44Å; I85-C98 PolarHBondContact N-O 3.11Å; I85-C98 PolarHBondContact O-N 3.35Å; I85-V100 HydrophobicContact CD1-CB 4.47Å; I85-V100 HydrophobicContact CD1-CG2 3.53Å; I85-V100 HydrophobicContact CG1-CG2 4.27Å; I85-I116 HydrophobicContact CD1-CD1 3.66Å; I85-F136 HydrophobicContact CD1-CE2 4.07Å; I85-F136 HydrophobicContact CD1-CZ 3.93Å; I85-L140 HydrophobicContact CD1-CD1 4.47Å; I85-L140 HydrophobicContact CD1-CD2 4.35Å
86	N	88.9	Confident	80.7	Confident	34 Å²	34	58.7 Å²	58.7	18%	0.182	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	112.6	177.4	-178.7	81.1	0	0	0	110	E75 S94 F96 K97	E75-N86 PolarHBondContact N-O 2.87Å; E75-N86 PolarHBondContact O-N 3.02Å; N86-S94 PolarHBondContact OD1-OG 3.37Å; N86-F96 CarbonylContact C-O 3.57Å; N86-F96 WeakPolarHBondContact CA-O 3.49Å; N86-K97 HydrophobicContact CB-CG 4.49Å
87	L	87	Confident	80.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.2	170.4	-70.1	94.6	0	0	0	110	V51 L53 L72 R73 L74 I85 V95 F96 L125	V51-L87 HydrophobicContact CB-CD2 4.32Å; V51-L87 HydrophobicContact CG1-CD2 3.93Å; L53-L87 HydrophobicContact CD1-CD1 4.46Å; L53-L87 HydrophobicContact CD1-CD2 4.36Å; L72-L87 HydrophobicContact CB-CB 4.4Å; L72-L87 HydrophobicContact CB-CD2 4.01Å; L72-L87 HydrophobicContact CD1-CB 4.1Å; L72-L87 HydrophobicContact CD1-CD2 3.74Å; R73-L87 CarbonylContact O-C 3.57Å; R73-L87 WeakPolarHBondContact O-CA 3.28Å; L74-L87 HydrophobicContact CB-CD2 4.46Å; L74-L87 HydrophobicContact CB-CG 4.12Å; L74-L87 HydrophobicContact CD1-CD1 3.9Å; L74-L87 HydrophobicContact CD1-CG 4Å; I85-L87 HydrophobicContact CG2-CD1 3.9Å; L87-V95 PolarHBondContact O-N 3.32Å; L87-F96 HydrophobicContact CB-CB 4.45Å; L87-F96 HydrophobicContact CD1-CB 4.29Å; L87-F96 HydrophobicContact CD1-CD1 3.66Å; L87-F96 HydrophobicContact CD1-CG 4.44Å; L87-F96 PolarHBondContact N-O 2.85Å; L87-F96 PolarHBondContact O-N 3.47Å; L87-L125 HydrophobicContact CD1-CD2 3.74Å; L87-L125 HydrophobicContact CD2-CD2 3.96Å
88	S	85.1	Confident	80.5	Confident	4 Å²	4	62.4 Å²	62.4	3%	0.028	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.7	173.4	55.4	0	0	0	0	113	R73 T93	R73-S88 PolarHBondContact N-O 3.27Å; R73-S88 PolarHBondContact O-N 3.33Å; S88-T93 CarbonylContact C-O 3.6Å; S88-T93 WeakPolarHBondContact CA-O 3.46Å; S88-T93 VanDerWaalsContact CB-O 3.31Å; S88-T93 WeakPolarHBondContact CB-O 3.31Å
89	N	81	Confident	80.8	Confident	33 Å²	33	63.9 Å²	63.9	18%	0.176	36%	0.358	C	S	.	.			trans	-81.7	-175.8	173.9	75.1	-0	0	0	0	111.6	L72 E91 E92 T93 V95	L72-N89 HydrophobicContact CD2-CB 4.25Å; N89-E91 PolarHBondContact O-N 3.36Å; N89-E91 VanDerWaalsContact O-N 3.16Å; N89-E91 PolarHBondContact OD1-N 3.38Å; N89-E92 PolarHBondContact O-N 3.02Å; N89-E92 VanDerWaalsContact O-N 3.14Å; N89-E92 PolarHBondContact OD1-N 2.83Å; N89-T93 PolarHBondContact N-O 3.06Å; N89-T93 WeakPolarHBondContact OD1-CB 3.19Å; N89-T93 PolarHBondContact OD1-N 2.78Å; N89-T93 PolarHBondContact OD1-O 2.75Å; N89-V95 HydrophobicContact CB-CG2 4.05Å
90	G	67.6	Low	81.2	Confident	78 Å²	78	61.3 Å²	61.3	80%	0.804	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.9	-179.3	0	0	0	0	0	115.4
91	E	72.3	Confident	82	Confident	164 Å²	164	54.4 Å²	54.4	77%	0.766	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	14.7	179.2	-58.6	-179.3	162.4	0	0	112.2	N89 T93	N89-E91 PolarHBondContact O-N 3.36Å; N89-E91 VanDerWaalsContact O-N 3.16Å; N89-E91 PolarHBondContact OD1-N 3.38Å; E91-T93 PolarHBondContact O-N 2.82Å; E91-T93 VanDerWaalsContact O-N 3.12Å
92	E	69.9	Low	82.1	Confident	135 Å²	135	57.5 Å²	57.5	63%	0.631	31%	0.313	S	S	*	.	S	Bend	trans	60.9	8.9	-172.8	-55.5	-156.3	138.7	0	0	115.5	R73 N89 S94	R73-E92 IonicContact CZ-OE1 3.63Å; R73-E92 IonicContact NH1-OE1 3.26Å; R73-E92 PolarHBondContact NH1-OE1 3.27Å; R73-E92 IonicContact NH2-OE1 3.93Å; N89-E92 PolarHBondContact O-N 3.02Å; N89-E92 VanDerWaalsContact O-N 3.14Å; N89-E92 PolarHBondContact OD1-N 2.83Å; E92-S94 PolarHBondContact O-N 3.48Å
93	T	76.4	Confident	81.8	Confident	79 Å²	79	63.4 Å²	63.4	49%	0.485	34%	0.342	S	S	.	.			trans	-68.1	126.9	173.6	-54.8	0	0	0	0	110.3	S88 N89 E91 V95	S88-T93 CarbonylContact C-O 3.6Å; S88-T93 WeakPolarHBondContact CA-O 3.46Å; S88-T93 VanDerWaalsContact CB-O 3.31Å; S88-T93 WeakPolarHBondContact CB-O 3.31Å; N89-T93 PolarHBondContact N-O 3.06Å; N89-T93 WeakPolarHBondContact OD1-CB 3.19Å; N89-T93 PolarHBondContact OD1-N 2.78Å; N89-T93 PolarHBondContact OD1-O 2.75Å; E91-T93 PolarHBondContact O-N 2.82Å; E91-T93 VanDerWaalsContact O-N 3.12Å; T93-V95 PolarHBondContact O-N 3.25Å
94	S	79.6	Confident	81.5	Confident	63 Å²	63	64.2 Å²	64.2	44%	0.441	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	119.8	179.4	173.4	0	0	0	0	111.3	N86 E92	N86-S94 PolarHBondContact OD1-OG 3.37Å; E92-S94 PolarHBondContact O-N 3.48Å
95	V	81.5	Confident	81.2	Confident	53 Å²	53	67.1 Å²	67.1	32%	0.321	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-37.1	179.4	-177.4	0	0	0	0	111.6	L53 L72 L87 N89 T93	L53-V95 HydrophobicContact CD2-CG1 4.18Å; L72-V95 HydrophobicContact CD1-CB 4.48Å; L72-V95 HydrophobicContact CD1-CG1 4.41Å; L72-V95 HydrophobicContact CD2-CG2 4.06Å; L87-V95 PolarHBondContact O-N 3.32Å; N89-V95 HydrophobicContact CB-CG2 4.05Å; T93-V95 PolarHBondContact O-N 3.25Å
96	F	83.6	Confident	81	Confident	33 Å²	33	68.2 Å²	68.2	15%	0.145	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	138.5	177.8	175.2	-97.3	0	0	0	110.8	L53 I85 N86 L87 C98 L118 V123	L53-F96 HydrophobicContact CD1-CB 4.32Å; L53-F96 HydrophobicContact CD1-CD1 4.39Å; L53-F96 HydrophobicContact CD1-CG 4.28Å; L53-F96 HydrophobicContact CD2-CB 3.71Å; L53-F96 HydrophobicContact CD2-CG 4.34Å; I85-F96 HydrophobicContact CG2-CD1 4.47Å; I85-F96 HydrophobicContact CG2-CE1 4.36Å; N86-F96 CarbonylContact C-O 3.57Å; N86-F96 WeakPolarHBondContact CA-O 3.49Å; L87-F96 HydrophobicContact CB-CB 4.45Å; L87-F96 HydrophobicContact CD1-CB 4.29Å; L87-F96 HydrophobicContact CD1-CD1 3.66Å; L87-F96 HydrophobicContact CD1-CG 4.44Å; L87-F96 PolarHBondContact N-O 2.85Å; L87-F96 PolarHBondContact O-N 3.47Å; F96-C98 HydrophobicContact CE1-CB 3.92Å; F96-C98 VanDerWaalsContact CE1-SG 3.53Å; F96-C98 HydrophobicContact CZ-CB 3.8Å; F96-L118 HydrophobicContact CE2-CD1 4.09Å; F96-L118 HydrophobicContact CZ-CD1 3.75Å; F96-V123 HydrophobicContact CE1-CG1 4.38Å; F96-V123 HydrophobicContact CE2-CB 4.39Å; F96-V123 HydrophobicContact CE2-CG1 4.22Å; F96-V123 HydrophobicContact CE2-CG2 3.83Å; F96-V123 HydrophobicContact CZ-CB 4.25Å; F96-V123 HydrophobicContact CZ-CG1 4.08Å; F96-V123 HydrophobicContact CZ-CG2 4.15Å
97	K	86.5	Confident	80.7	Confident	145 Å²	145	69.9 Å²	69.9	63%	0.63	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	127.9	178.4	-171.6	-179.9	179.2	-175.7	0	110.4	I85 N86	I85-K97 VanDerWaalsContact O-CA 3.26Å; I85-K97 WeakPolarHBondContact O-CA 3.47Å; I85-K97 WeakPolarHBondContact O-CG 3.44Å; N86-K97 HydrophobicContact CB-CG 4.49Å
98	C	86.3	Confident	80.7	Confident	12 Å²	12	74.8 Å²	74.8	8%	0.081	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	166.2	173.7	72.9	0	0	0	0	111.6	I85 F96 L118	I85-C98 PolarHBondContact N-O 3.11Å; I85-C98 PolarHBondContact O-N 3.35Å; F96-C98 HydrophobicContact CE1-CB 3.92Å; F96-C98 VanDerWaalsContact CE1-SG 3.53Å; F96-C98 HydrophobicContact CZ-CB 3.8Å; C98-L118 HydrophobicContact CB-CD1 3.63Å; C98-L118 HydrophobicContact CB-CD2 4.45Å
99	S	86.8	Confident	80.5	Confident	57 Å²	57	77.6 Å²	77.6	40%	0.399	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.9	167.4	-172.2	0	0	0	0	107.8
100	V	84.4	Confident	80.4	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.6	173.9	178.4	0	0	0	0	108.3	A82 A83 I85 T104 I116 L140 R144	A82-V100 CarbonylContact C-O 3.55Å; A82-V100 WeakPolarHBondContact CA-O 3.37Å; A83-V100 PolarHBondContact N-O 3.47Å; A83-V100 PolarHBondContact O-N 2.99Å; I85-V100 HydrophobicContact CD1-CB 4.47Å; I85-V100 HydrophobicContact CD1-CG2 3.53Å; I85-V100 HydrophobicContact CG1-CG2 4.27Å; V100-T104 HydrophobicContact CG1-CG2 4.34Å; V100-T104 HydrophobicContact CG2-CG2 4.37Å; V100-I116 HydrophobicContact CG2-CD1 3.99Å; V100-I116 HydrophobicContact CG2-CG2 4.32Å; V100-L140 HydrophobicContact CB-CD2 4.39Å; V100-L140 HydrophobicContact CG1-CD2 4.37Å; V100-R144 HydrophobicContact CG1-CG 4.12Å
101	S	83.1	Confident	81.1	Confident	32 Å²	32	82.7 Å²	82.7	22%	0.224	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-172.5	176.2	68.1	0	0	0	0	111	D103 T104 R144	S101-D103 VanDerWaalsContact C-N 3.26Å; S101-D103 PolarHBondContact O-N 3.29Å; S101-D103 PolarHBondContact OG-N 3.19Å; S101-T104 PolarHBondContact N-OG1 3.43Å; S101-T104 PolarHBondContact O-N 2.93Å; S101-T104 PolarHBondContact OG-OG1 3Å; S101-R144 WeakPolarHBondContact O-CG 3.49Å; S101-R144 PolarHBondContact O-NE 3.19Å
102	R	75.8	Confident	81.8	Confident	193 Å²	193	78.2 Å²	78.2	73%	0.728	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-46.1	171.4	-170.3	176.4	-175.5	164.6	1.2	111.7	T104 R144	R102-T104 VanDerWaalsContact C-N 3.32Å; R102-T104 PolarHBondContact O-N 3.43Å; R102-R144 PolarHBondContact O-NH2 2.95Å
103	D	76.1	Confident	82.6	Confident	140 Å²	140	72.6 Å²	72.6	75%	0.749	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.8	-172.6	-39.5	-63.4	0	0	0	114	S101 E105	S101-D103 VanDerWaalsContact C-N 3.26Å; S101-D103 PolarHBondContact O-N 3.29Å; S101-D103 PolarHBondContact OG-N 3.19Å; D103-E105 PolarHBondContact O-N 3.39Å
104	T	81.3	Confident	83.2	Confident	17 Å²	17	69 Å²	69	10%	0.104	36%	0.363	C	S	.	.	S	Bend	trans	-75.8	116.8	176.4	-49.9	0	0	0	0	110.9	V100 S101 R102 C106 I116 L118 R144	V100-T104 HydrophobicContact CG1-CG2 4.34Å; V100-T104 HydrophobicContact CG2-CG2 4.37Å; S101-T104 PolarHBondContact N-OG1 3.43Å; S101-T104 PolarHBondContact O-N 2.93Å; S101-T104 PolarHBondContact OG-OG1 3Å; R102-T104 VanDerWaalsContact C-N 3.32Å; R102-T104 PolarHBondContact O-N 3.43Å; T104-C106 PolarHBondContact O-N 3.39Å; T104-C106 VanDerWaalsContact O-N 3.15Å; T104-C106 PolarHBondContact O-SG 3.23Å; T104-C106 VanDerWaalsContact O-SG 3.34Å; T104-I116 HydrophobicContact CG2-CG2 3.86Å; T104-L118 HydrophobicContact CG2-CD2 4.12Å; T104-R144 PolarHBondContact O-NH2 3.26Å; T104-R144 VanDerWaalsContact O-NH2 3.12Å
105	E	81.9	Confident	83.6	Confident	137 Å²	137	67.8 Å²	67.8	64%	0.64	35%	0.351	S	S	*	.			trans	-60.7	114.2	170.1	-72.9	-174.3	-178.2	0	0	110.1	D103 T117	D103-E105 PolarHBondContact O-N 3.39Å; E105-T117 PolarHBondContact O-N 3.42Å
106	C	86.6	Confident	83.9	Confident	23 Å²	23	65.2 Å²	65.2	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	150.2	177.8	57.5	0	0	0	0	110.6	T104 F114 I115 I116 R144	T104-C106 PolarHBondContact O-N 3.39Å; T104-C106 VanDerWaalsContact O-N 3.15Å; T104-C106 PolarHBondContact O-SG 3.23Å; T104-C106 VanDerWaalsContact O-SG 3.34Å; C106-F114 HydrophobicContact CB-CE1 3.63Å; C106-F114 HydrophobicContact CB-CZ 3.67Å; C106-I115 CarbonylContact C-O 3.54Å; C106-I115 WeakPolarHBondContact CA-O 3.23Å; C106-I115 WeakPolarHBondContact CB-O 3.49Å; C106-I116 HydrophobicContact CB-CB 4.43Å; C106-I116 HydrophobicContact CB-CG1 4.17Å; C106-I116 HydrophobicContact CB-CG2 4.48Å; C106-R144 PolarHBondContact SG-NH1 2.88Å
107	S	82.1	Confident	83.9	Confident	69 Å²	69	65.1 Å²	65.1	48%	0.483	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.6	-175.3	-169.1	0	0	0	0	113	F114 I115	S107-F114 CarbonylContact O-C 3.36Å; S107-F114 WeakPolarHBondContact O-CA 3.31Å; S107-F114 VanDerWaalsContact O-CD2 3.32Å; S107-F114 WeakPolarHBondContact O-CD2 3.47Å; S107-I115 PolarHBondContact N-O 3.4Å; S107-I115 PolarHBondContact O-N 3.09Å
108	R	86	Confident	83.5	Confident	104 Å²	104	61.4 Å²	61.4	39%	0.392	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.4	171.9	166.5	172.6	176.9	167.8	-1	109.9	G110 F133 Y137	R108-G110 PolarHBondContact NE-O 3.32Å; R108-G110 PolarHBondContact NH2-O 2.85Å; R108-F133 HydrophobicContact CB-CZ 4.06Å; R108-F133 HydrophobicContact CG-CE1 4.11Å; R108-F133 HydrophobicContact CG-CZ 3.58Å; R108-Y137 HydrophobicContact CB-CE2 3.98Å
109	V	80.8	Confident	83.1	Confident	62 Å²	62	64.2 Å²	64.2	38%	0.376	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.8	175.1	-177.3	0	0	0	0	109	S113 I115 L124	V109-S113 PolarHBondContact N-O 3.36Å; V109-S113 CarbonylContact O-C 3.51Å; V109-S113 WeakPolarHBondContact O-CA 3.38Å; V109-S113 WeakPolarHBondContact O-CB 3.38Å; V109-S113 PolarHBondContact O-N 2.87Å; V109-S113 VanDerWaalsContact O-O 3.13Å; V109-I115 HydrophobicContact CG2-CB 3.92Å; V109-I115 HydrophobicContact CG2-CG2 3.8Å; V109-L124 HydrophobicContact CB-CD1 4.01Å; V109-L124 HydrophobicContact CG1-CD1 4.35Å; V109-L124 HydrophobicContact CG2-CD1 3.93Å
110	G	80.7	Confident	82.1	Confident	57 Å²	57	66.3 Å²	66.3	59%	0.588	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-139	-179	0	0	0	0	0	114	R108	R108-G110 PolarHBondContact NE-O 3.32Å; R108-G110 PolarHBondContact NH2-O 2.85Å
111	K	80.7	Confident	81.6	Confident	162 Å²	162	70 Å²	70	70%	0.704	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-8.6	-177.5	-65.9	-175.7	-179.9	179.6	0	114.7	F133	K111-F133 WeakPolarHBondContact O-CD1 3.24Å
112	Q	87.1	Confident	81.5	Confident	70 Å²	70	69.6 Å²	69.6	33%	0.327	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	4.6	-169.3	-70	-178.2	-93.3	0	0	114	F127 S128 P130	Q112-F127 PolarHBondContact NE2-O 3.35Å; Q112-F127 WeakPolarHBondContact O-CB 3.03Å; Q112-F127 WeakPolarHBondContact O-CD2 3.38Å; Q112-F127 PolarHBondContact O-N 2.9Å; Q112-S128 PolarHBondContact NE2-O 3.45Å; Q112-P130 HydrophobicContact CG-CB 4.22Å; Q112-P130 HydrophobicContact CG-CG 3.81Å
113	S	87.4	Confident	82	Confident	16 Å²	16	61 Å²	61	11%	0.112	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.8	-175.4	-50.2	0	0	0	0	112.7	V109 L125 F133	V109-S113 PolarHBondContact N-O 3.36Å; V109-S113 CarbonylContact O-C 3.51Å; V109-S113 WeakPolarHBondContact O-CA 3.38Å; V109-S113 WeakPolarHBondContact O-CB 3.38Å; V109-S113 PolarHBondContact O-N 2.87Å; V109-S113 VanDerWaalsContact O-O 3.13Å; S113-L125 CarbonylContact C-O 3.57Å; S113-L125 WeakPolarHBondContact CA-O 3.45Å; S113-L125 WeakPolarHBondContact CB-O 3.41Å; S113-F133 VanDerWaalsContact O-CE2 3.23Å; S113-F133 WeakPolarHBondContact O-CE2 3.49Å
114	F	88.4	Confident	82.5	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.022	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125.6	-178.6	-165.2	-105.8	0	0	0	109.5	C106 S107 I116 L125 F127 F133 F136 Y137 L140	C106-F114 HydrophobicContact CB-CE1 3.63Å; C106-F114 HydrophobicContact CB-CZ 3.67Å; S107-F114 CarbonylContact O-C 3.36Å; S107-F114 WeakPolarHBondContact O-CA 3.31Å; S107-F114 VanDerWaalsContact O-CD2 3.32Å; S107-F114 WeakPolarHBondContact O-CD2 3.47Å; F114-I116 HydrophobicContact CD1-CD1 4.11Å; F114-I116 HydrophobicContact CD1-CG1 3.67Å; F114-I116 HydrophobicContact CE1-CD1 4.18Å; F114-I116 HydrophobicContact CE1-CG1 3.69Å; F114-L125 HydrophobicContact CB-CB 4.45Å; F114-L125 PolarHBondContact N-O 2.85Å; F114-L125 PolarHBondContact O-N 3.23Å; F114-F127 HydrophobicContact CB-CE2 4.4Å; F114-F133 HydrophobicContact CB-CE2 4.09Å; F114-F133 HydrophobicContact CD2-CE2 4.25Å; F114-F136 HydrophobicContact CB-CE1 3.95Å; F114-F136 AromaticContact CD1-CE1 3.67Å; F114-F136 HydrophobicContact CD1-CE1 3.67Å; F114-F136 HydrophobicContact CD1-CZ 4.11Å; F114-F136 HydrophobicContact CD2-CE1 4.31Å; F114-F136 HydrophobicContact CE1-CE1 4.2Å; F114-F136 HydrophobicContact CE1-CZ 4.5Å; F114-F136 AromaticContact CG-CE1 3.73Å; F114-F136 HydrophobicContact CG-CE1 3.73Å; F114-Y137 HydrophobicContact CD2-CD2 4.09Å; F114-Y137 HydrophobicContact CD2-CE2 4.45Å; F114-Y137 AromaticContact CE2-CD2 3.87Å; F114-Y137 HydrophobicContact CE2-CD2 3.87Å; F114-Y137 AromaticContact CE2-CE2 3.97Å; F114-Y137 HydrophobicContact CE2-CE2 3.97Å; F114-L140 HydrophobicContact CD1-CD1 4.07Å; F114-L140 HydrophobicContact CE1-CD1 3.33Å; F114-L140 HydrophobicContact CE2-CD1 4.28Å; F114-L140 HydrophobicContact CZ-CD1 3.46Å; F114-L140 VanDerWaalsContact CZ-CD1 3.46Å
115	I	89.1	Confident	82.8	Confident	36 Å²	36	54.4 Å²	54.4	19%	0.185	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.6	176.5	-164.6	168.5	0	0	0	109.9	I56 C106 S107 V109 V123 L124	I56-I115 HydrophobicContact CD1-CD1 3.9Å; C106-I115 CarbonylContact C-O 3.54Å; C106-I115 WeakPolarHBondContact CA-O 3.23Å; C106-I115 WeakPolarHBondContact CB-O 3.49Å; S107-I115 PolarHBondContact N-O 3.4Å; S107-I115 PolarHBondContact O-N 3.09Å; V109-I115 HydrophobicContact CG2-CB 3.92Å; V109-I115 HydrophobicContact CG2-CG2 3.8Å; I115-V123 CarbonylContact C-O 3.52Å; I115-V123 WeakPolarHBondContact CA-O 3.4Å; I115-L124 HydrophobicContact CB-CD1 4.06Å
116	I	87.7	Confident	83.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.2	175.3	-53	174.3	0	0	0	107.3	I85 V100 T104 C106 F114 L118 V123 L125	I85-I116 HydrophobicContact CD1-CD1 3.66Å; V100-I116 HydrophobicContact CG2-CD1 3.99Å; V100-I116 HydrophobicContact CG2-CG2 4.32Å; T104-I116 HydrophobicContact CG2-CG2 3.86Å; C106-I116 HydrophobicContact CB-CB 4.43Å; C106-I116 HydrophobicContact CB-CG1 4.17Å; C106-I116 HydrophobicContact CB-CG2 4.48Å; F114-I116 HydrophobicContact CD1-CD1 4.11Å; F114-I116 HydrophobicContact CD1-CG1 3.67Å; F114-I116 HydrophobicContact CE1-CD1 4.18Å; F114-I116 HydrophobicContact CE1-CG1 3.69Å; I116-L118 HydrophobicContact CG2-CD2 4.04Å; I116-L118 HydrophobicContact CG2-CG 4.08Å; I116-V123 PolarHBondContact N-O 3.34Å; I116-V123 PolarHBondContact O-N 3Å; I116-L125 HydrophobicContact CD1-CD1 3.88Å
117	T	82.8	Confident	83.3	Confident	31 Å²	31	50.7 Å²	50.7	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.2	177.9	-54	0	0	0	0	108.8	E105 G119 S122	E105-T117 PolarHBondContact O-N 3.42Å; T117-G119 WeakPolarHBondContact CG2-O 3.47Å; T117-S122 PolarHBondContact OG1-OG 3.35Å
118	L	79.6	Confident	83.5	Confident	67 Å²	67	50.7 Å²	50.7	35%	0.351	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	88.6	-176.4	-63.7	176	0	0	0	108.8	F96 C98 T104 I116 C120 N121	F96-L118 HydrophobicContact CE2-CD1 4.09Å; F96-L118 HydrophobicContact CZ-CD1 3.75Å; C98-L118 HydrophobicContact CB-CD1 3.63Å; C98-L118 HydrophobicContact CB-CD2 4.45Å; T104-L118 HydrophobicContact CG2-CD2 4.12Å; I116-L118 HydrophobicContact CG2-CD2 4.04Å; I116-L118 HydrophobicContact CG2-CG 4.08Å; L118-C120 PolarHBondContact O-N 3.43Å; L118-N121 PolarHBondContact N-O 2.93Å; L118-N121 PolarHBondContact O-N 3.28Å
119	G	76.6	Confident	83.5	Confident	70 Å²	70	47.3 Å²	47.3	72%	0.722	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	-124.5	-168.2	0	0	0	0	0	110	T117	T117-G119 WeakPolarHBondContact CG2-O 3.47Å
120	C	66.4	Low	83.7	Confident	101 Å²	101	47.8 Å²	47.8	68%	0.682	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-22.9	-177.8	-46.3	0	0	0	0	113.9	D58 L118	D58-C120 VanDerWaalsContact CG-O 3.3Å; D58-C120 WeakPolarHBondContact OD2-CB 2.96Å; L118-C120 PolarHBondContact O-N 3.43Å
121	N	73.1	Confident	83.8	Confident	79 Å²	79	48.2 Å²	48.2	42%	0.422	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.9	-173.2	-72.9	-103.3	0	0	0	111.3	L118	L118-N121 PolarHBondContact N-O 2.93Å; L118-N121 PolarHBondContact O-N 3.28Å
122	S	81.8	Confident	84.1	Confident	22 Å²	22	43 Å²	43	15%	0.154	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.7	173.5	-71.8	0	0	0	0	112	I56 T117	I56-S122 PolarHBondContact N-O 3.13Å; I56-S122 PolarHBondContact O-N 3.07Å; T117-S122 PolarHBondContact OG1-OG 3.35Å
123	V	85.2	Confident	84.2	Confident	12 Å²	12	39.8 Å²	39.8	7%	0.073	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.6	-175.6	177.2	0	0	0	0	109.7	L53 F96 I115 I116	L53-V123 HydrophobicContact CD1-CG1 3.31Å; L53-V123 HydrophobicContact CG-CG1 4.22Å; F96-V123 HydrophobicContact CE1-CG1 4.38Å; F96-V123 HydrophobicContact CE2-CB 4.39Å; F96-V123 HydrophobicContact CE2-CG1 4.22Å; F96-V123 HydrophobicContact CE2-CG2 3.83Å; F96-V123 HydrophobicContact CZ-CB 4.25Å; F96-V123 HydrophobicContact CZ-CG1 4.08Å; F96-V123 HydrophobicContact CZ-CG2 4.15Å; I115-V123 CarbonylContact C-O 3.52Å; I115-V123 WeakPolarHBondContact CA-O 3.4Å; I116-V123 PolarHBondContact N-O 3.34Å; I116-V123 PolarHBondContact O-N 3Å
124	L	86.5	Confident	84	Confident	20 Å²	20	42.6 Å²	42.6	11%	0.105	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.9	-179.9	-178.6	71.7	0	0	0	110.1	L54 I56 V109 I115	L54-L124 HydrophobicContact CB-CB 4.11Å; L54-L124 HydrophobicContact CD1-CD2 4Å; L54-L124 PolarHBondContact N-O 3.23Å; L54-L124 PolarHBondContact O-N 2.8Å; I56-L124 HydrophobicContact CD1-CB 4.47Å; V109-L124 HydrophobicContact CB-CD1 4.01Å; V109-L124 HydrophobicContact CG1-CD1 4.35Å; V109-L124 HydrophobicContact CG2-CD1 3.93Å; I115-L124 HydrophobicContact CB-CD1 4.06Å
125	L	89.1	Confident	83.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.6	170.5	-57.5	176.5	0	0	0	109	V51 L53 L87 S113 F114 I116 F127 F136	V51-L125 HydrophobicContact CG1-CB 4.27Å; V51-L125 HydrophobicContact CG1-CD2 4.37Å; L53-L125 HydrophobicContact CD1-CD2 3.59Å; L87-L125 HydrophobicContact CD1-CD2 3.74Å; L87-L125 HydrophobicContact CD2-CD2 3.96Å; S113-L125 CarbonylContact C-O 3.57Å; S113-L125 WeakPolarHBondContact CA-O 3.45Å; S113-L125 WeakPolarHBondContact CB-O 3.41Å; F114-L125 HydrophobicContact CB-CB 4.45Å; F114-L125 PolarHBondContact N-O 2.85Å; F114-L125 PolarHBondContact O-N 3.23Å; I116-L125 HydrophobicContact CD1-CD1 3.88Å; L125-F127 HydrophobicContact CB-CE2 4Å; L125-F136 HydrophobicContact CD1-CE1 4.46Å; L125-F136 HydrophobicContact CD1-CZ 3.86Å
126	Q	88.1	Confident	83.9	Confident	78 Å²	78	43.5 Å²	43.5	36%	0.364	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125	174.1	-177.7	-179.4	28.7	0	0	110.2	V51 R52	V51-Q126 CarbonylContact C-O 3.55Å; V51-Q126 WeakPolarHBondContact CA-O 3.37Å; R52-Q126 HydrophobicContact CB-CB 4.35Å; R52-Q126 PolarHBondContact N-O 3.39Å; R52-Q126 PolarHBondContact O-N 3.14Å
127	F	90.3	Very high	83.7	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.018	29%	0.291	C	S	.	.			trans	-93.9	144.2	-176.8	-68.6	-102.6	0	0	0	111.7	F48 V51 L74 Q112 F114 L125 S129 D132 F133 F136	F48-F127 HydrophobicContact CB-CE1 4.28Å; F48-F127 HydrophobicContact CD1-CE1 4.46Å; F48-F127 HydrophobicContact CD2-CE1 4.48Å; F48-F127 HydrophobicContact CG-CE1 4.14Å; V51-F127 HydrophobicContact CG2-CD1 3.88Å; V51-F127 HydrophobicContact CG2-CE1 3.9Å; V51-F127 HydrophobicContact CG2-CG 4.5Å; L74-F127 HydrophobicContact CD2-CE1 3.83Å; L74-F127 HydrophobicContact CD2-CZ 3.73Å; Q112-F127 PolarHBondContact NE2-O 3.35Å; Q112-F127 WeakPolarHBondContact O-CB 3.03Å; Q112-F127 WeakPolarHBondContact O-CD2 3.38Å; Q112-F127 PolarHBondContact O-N 2.9Å; F114-F127 HydrophobicContact CB-CE2 4.4Å; L125-F127 HydrophobicContact CB-CE2 4Å; F127-S129 VanDerWaalsContact C-N 3.33Å; F127-S129 PolarHBondContact O-N 2.95Å; F127-D132 HydrophobicContact CD1-CB 4.1Å; F127-F133 HydrophobicContact CB-CB 3.94Å; F127-F133 HydrophobicContact CD2-CB 4.13Å; F127-F133 AromaticContact CD2-CD2 3.83Å; F127-F133 HydrophobicContact CD2-CD2 3.83Å; F127-F133 HydrophobicContact CD2-CG 4.49Å; F127-F133 HydrophobicContact CE2-CD2 4.13Å; F127-F133 HydrophobicContact CG-CB 3.95Å; F127-F133 HydrophobicContact CG-CD2 4.49Å; F127-F136 HydrophobicContact CE1-CB 3.6Å; F127-F136 HydrophobicContact CE1-CD1 4.1Å; F127-F136 HydrophobicContact CE1-CD2 4.08Å; F127-F136 AromaticContact CE1-CG 3.67Å; F127-F136 HydrophobicContact CE1-CG 3.67Å; F127-F136 AromaticContact CE2-CD1 3.75Å; F127-F136 HydrophobicContact CE2-CD1 3.75Å; F127-F136 AromaticContact CE2-CE1 3.99Å; F127-F136 HydrophobicContact CE2-CE1 3.99Å; F127-F136 HydrophobicContact CE2-CG 4.18Å; F127-F136 HydrophobicContact CZ-CB 3.72Å; F127-F136 AromaticContact CZ-CD1 3.29Å; F127-F136 HydrophobicContact CZ-CD1 3.29Å; F127-F136 AromaticContact CZ-CD2 3.68Å; F127-F136 HydrophobicContact CZ-CD2 3.68Å; F127-F136 AromaticContact CZ-CE1 3.69Å; F127-F136 HydrophobicContact CZ-CE1 3.69Å; F127-F136 HydrophobicContact CZ-CE2 4.07Å; F127-F136 AromaticContact CZ-CG 3.26Å; F127-F136 HydrophobicContact CZ-CG 3.26Å; F127-F136 HydrophobicContact CZ-CZ 4.05Å
128	S	85.7	Confident	83.6	Confident	68 Å²	68	48.7 Å²	48.7	48%	0.476	30%	0.301	S	S	.	.	S	Bend	trans	-61.6	-36.3	177.4	47.6	0	0	0	0	113.1	R49 Q112	R49-S128 PolarHBondContact O-OG 3.48Å; R49-S128 VanDerWaalsContact O-OG 3.08Å; Q112-S128 PolarHBondContact NE2-O 3.45Å
129	S	86.9	Confident	83.8	Confident	33 Å²	33	47.1 Å²	47.1	23%	0.231	29%	0.293	C	S	.	.	S	Bend	trans	-129.9	154.2	176.3	87.2	0	0	0	0	113.2	F127 A131 D132 F133	F127-S129 VanDerWaalsContact C-N 3.33Å; F127-S129 PolarHBondContact O-N 2.95Å; S129-A131 PolarHBondContact O-N 3.42Å; S129-A131 PolarHBondContact OG-N 2.87Å; S129-D132 WeakPolarHBondContact CB-OD2 3.4Å; S129-D132 PolarHBondContact O-N 3.49Å; S129-D132 PolarHBondContact OG-N 2.76Å; S129-D132 PolarHBondContact OG-OD2 2.99Å; S129-F133 PolarHBondContact O-N 3.06Å
130	P	83.8	Confident	84	Confident	73 Å²	73	44 Å²	44	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-26.5	171.4	-19.7	32	0	0	0	113.3	Q112 Q134	Q112-P130 HydrophobicContact CG-CB 4.22Å; Q112-P130 HydrophobicContact CG-CG 3.81Å; P130-Q134 WeakPolarHBondContact O-CB 3.5Å; P130-Q134 PolarHBondContact O-N 2.92Å
131	A	83.1	Confident	84.3	Confident	65 Å²	65	41.8 Å²	41.8	54%	0.537	24%	0.239	S	C	.	.	H	α-helix	trans	-72.9	-39.7	179.2	0	0	0	0	0	111.9	S129 Q134 S135	S129-A131 PolarHBondContact O-N 3.42Å; S129-A131 PolarHBondContact OG-N 2.87Å; A131-Q134 PolarHBondContact O-N 2.9Å; A131-S135 WeakPolarHBondContact O-CB 3.19Å; A131-S135 PolarHBondContact O-N 3.09Å; A131-S135 PolarHBondContact O-OG 3.43Å
132	D	87.3	Confident	84	Confident	53 Å²	53	42.5 Å²	42.5	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-45.9	172.2	-67.3	-56.9	0	0	0	110.8	F48 F127 S129 Q134 S135 F136	F48-D132 HydrophobicContact CD1-CB 3.96Å; F48-D132 HydrophobicContact CE1-CB 4.5Å; F48-D132 WeakPolarHBondContact CE1-O 3.39Å; F127-D132 HydrophobicContact CD1-CB 4.1Å; S129-D132 WeakPolarHBondContact CB-OD2 3.4Å; S129-D132 PolarHBondContact O-N 3.49Å; S129-D132 PolarHBondContact OG-N 2.76Å; S129-D132 PolarHBondContact OG-OD2 2.99Å; D132-Q134 PolarHBondContact O-N 3.36Å; D132-S135 PolarHBondContact O-N 2.97Å; D132-F136 WeakPolarHBondContact O-CB 3.32Å; D132-F136 PolarHBondContact O-N 3.21Å
133	F	88.6	Confident	83.2	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-56.5	-47.2	173.7	170.4	-98.8	0	0	0	111.9	R108 K111 S113 F114 F127 S129 S135 F136 Y137	R108-F133 HydrophobicContact CB-CZ 4.06Å; R108-F133 HydrophobicContact CG-CE1 4.11Å; R108-F133 HydrophobicContact CG-CZ 3.58Å; K111-F133 WeakPolarHBondContact O-CD1 3.24Å; S113-F133 VanDerWaalsContact O-CE2 3.23Å; S113-F133 WeakPolarHBondContact O-CE2 3.49Å; F114-F133 HydrophobicContact CB-CE2 4.09Å; F114-F133 HydrophobicContact CD2-CE2 4.25Å; F127-F133 HydrophobicContact CB-CB 3.94Å; F127-F133 HydrophobicContact CD2-CB 4.13Å; F127-F133 AromaticContact CD2-CD2 3.83Å; F127-F133 HydrophobicContact CD2-CD2 3.83Å; F127-F133 HydrophobicContact CD2-CG 4.49Å; F127-F133 HydrophobicContact CE2-CD2 4.13Å; F127-F133 HydrophobicContact CG-CB 3.95Å; F127-F133 HydrophobicContact CG-CD2 4.49Å; S129-F133 PolarHBondContact O-N 3.06Å; F133-S135 VanDerWaalsContact C-N 3.33Å; F133-S135 PolarHBondContact O-N 3.46Å; F133-F136 PolarHBondContact O-N 3.43Å; F133-Y137 HydrophobicContact CE2-CD2 4.47Å; F133-Y137 AromaticContact CZ-CD2 3.91Å; F133-Y137 HydrophobicContact CZ-CD2 3.91Å; F133-Y137 HydrophobicContact CZ-CG 4.23Å; F133-Y137 VanDerWaalsContact O-CB 3.24Å; F133-Y137 WeakPolarHBondContact O-CB 3.43Å; F133-Y137 PolarHBondContact O-N 3.22Å
134	Q	84.5	Confident	82.3	Confident	75 Å²	75	43.8 Å²	43.8	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-38.3	-179.7	-170.9	62.5	57.6	0	0	111.8	P130 A131 D132 Y137 N138	P130-Q134 WeakPolarHBondContact O-CB 3.5Å; P130-Q134 PolarHBondContact O-N 2.92Å; A131-Q134 PolarHBondContact O-N 2.9Å; D132-Q134 PolarHBondContact O-N 3.36Å; Q134-Y137 PolarHBondContact O-N 3.09Å; Q134-N138 PolarHBondContact NE2-OD1 2.89Å; Q134-N138 WeakPolarHBondContact O-CB 3.41Å; Q134-N138 PolarHBondContact O-N 2.87Å; Q134-N138 PolarHBondContact O-ND2 3.45Å; Q134-N138 PolarHBondContact O-OD1 2.95Å
135	S	85.9	Confident	80.5	Confident	61 Å²	61	45.3 Å²	45.3	43%	0.427	26%	0.264	S	S	.	.	H	α-helix	trans	-66.9	-43.5	177.3	-58.5	0	0	0	0	111.8	A131 D132 F133 N138 L139	A131-S135 WeakPolarHBondContact O-CB 3.19Å; A131-S135 PolarHBondContact O-N 3.09Å; A131-S135 PolarHBondContact O-OG 3.43Å; D132-S135 PolarHBondContact O-N 2.97Å; F133-S135 VanDerWaalsContact C-N 3.33Å; F133-S135 PolarHBondContact O-N 3.46Å; S135-N138 PolarHBondContact O-N 3.17Å; S135-L139 WeakPolarHBondContact O-CG 3.24Å; S135-L139 PolarHBondContact O-N 3.29Å; S135-L139 VanDerWaalsContact O-N 3.13Å
136	F	88.5	Confident	78.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-46.2	172	169.7	-97.4	0	0	0	112.3	F48 L74 V76 I85 F114 L125 F127 D132 F133 N138 L139 L140	F48-F136 HydrophobicContact CD2-CB 4.41Å; F48-F136 HydrophobicContact CD2-CD2 4.27Å; F48-F136 HydrophobicContact CE1-CB 4.15Å; F48-F136 HydrophobicContact CE2-CB 3.89Å; F48-F136 AromaticContact CE2-CD2 3.98Å; F48-F136 HydrophobicContact CE2-CD2 3.98Å; F48-F136 HydrophobicContact CE2-CG 4.45Å; F48-F136 HydrophobicContact CZ-CB 3.74Å; L74-F136 HydrophobicContact CD2-CD2 3.84Å; L74-F136 HydrophobicContact CD2-CE2 3.75Å; V76-F136 HydrophobicContact CG2-CD2 3.79Å; V76-F136 HydrophobicContact CG2-CE2 3.76Å; I85-F136 HydrophobicContact CD1-CE2 4.07Å; I85-F136 HydrophobicContact CD1-CZ 3.93Å; F114-F136 HydrophobicContact CB-CE1 3.95Å; F114-F136 AromaticContact CD1-CE1 3.67Å; F114-F136 HydrophobicContact CD1-CE1 3.67Å; F114-F136 HydrophobicContact CD1-CZ 4.11Å; F114-F136 HydrophobicContact CD2-CE1 4.31Å; F114-F136 HydrophobicContact CE1-CE1 4.2Å; F114-F136 HydrophobicContact CE1-CZ 4.5Å; F114-F136 AromaticContact CG-CE1 3.73Å; F114-F136 HydrophobicContact CG-CE1 3.73Å; L125-F136 HydrophobicContact CD1-CE1 4.46Å; L125-F136 HydrophobicContact CD1-CZ 3.86Å; F127-F136 HydrophobicContact CE1-CB 3.6Å; F127-F136 HydrophobicContact CE1-CD1 4.1Å; F127-F136 HydrophobicContact CE1-CD2 4.08Å; F127-F136 AromaticContact CE1-CG 3.67Å; F127-F136 HydrophobicContact CE1-CG 3.67Å; F127-F136 AromaticContact CE2-CD1 3.75Å; F127-F136 HydrophobicContact CE2-CD1 3.75Å; F127-F136 AromaticContact CE2-CE1 3.99Å; F127-F136 HydrophobicContact CE2-CE1 3.99Å; F127-F136 HydrophobicContact CE2-CG 4.18Å; F127-F136 HydrophobicContact CZ-CB 3.72Å; F127-F136 AromaticContact CZ-CD1 3.29Å; F127-F136 HydrophobicContact CZ-CD1 3.29Å; F127-F136 AromaticContact CZ-CD2 3.68Å; F127-F136 HydrophobicContact CZ-CD2 3.68Å; F127-F136 AromaticContact CZ-CE1 3.69Å; F127-F136 HydrophobicContact CZ-CE1 3.69Å; F127-F136 HydrophobicContact CZ-CE2 4.07Å; F127-F136 AromaticContact CZ-CG 3.26Å; F127-F136 HydrophobicContact CZ-CG 3.26Å; F127-F136 HydrophobicContact CZ-CZ 4.05Å; D132-F136 WeakPolarHBondContact O-CB 3.32Å; D132-F136 PolarHBondContact O-N 3.21Å; F133-F136 PolarHBondContact O-N 3.43Å; F136-N138 VanDerWaalsContact C-N 3.32Å; F136-N138 PolarHBondContact O-N 3.32Å; F136-L139 WeakPolarHBondContact O-CB 3.23Å; F136-L139 PolarHBondContact O-N 3.4Å; F136-L140 HydrophobicContact CD1-CD1 4.32Å; F136-L140 HydrophobicContact CE1-CD1 3.5Å; F136-L140 VanDerWaalsContact CE1-CD1 3.5Å; F136-L140 HydrophobicContact CE1-CG 4.2Å; F136-L140 HydrophobicContact CE2-CD1 4.1Å; F136-L140 HydrophobicContact CE2-CG 4.25Å; F136-L140 HydrophobicContact CZ-CD1 3.38Å; F136-L140 HydrophobicContact CZ-CG 4Å; F136-L140 PolarHBondContact O-N 3.1Å
137	Y	84.7	Confident	76.4	Confident	64 Å²	64	49.4 Å²	49.4	25%	0.251	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-40.5	179.1	-172.1	-96.5	0	0	0	111.5	R108 F114 F133 Q134 L140 K141	R108-Y137 HydrophobicContact CB-CE2 3.98Å; F114-Y137 HydrophobicContact CD2-CD2 4.09Å; F114-Y137 HydrophobicContact CD2-CE2 4.45Å; F114-Y137 AromaticContact CE2-CD2 3.87Å; F114-Y137 HydrophobicContact CE2-CD2 3.87Å; F114-Y137 AromaticContact CE2-CE2 3.97Å; F114-Y137 HydrophobicContact CE2-CE2 3.97Å; F133-Y137 HydrophobicContact CE2-CD2 4.47Å; F133-Y137 AromaticContact CZ-CD2 3.91Å; F133-Y137 HydrophobicContact CZ-CD2 3.91Å; F133-Y137 HydrophobicContact CZ-CG 4.23Å; F133-Y137 VanDerWaalsContact O-CB 3.24Å; F133-Y137 WeakPolarHBondContact O-CB 3.43Å; F133-Y137 PolarHBondContact O-N 3.22Å; Q134-Y137 PolarHBondContact O-N 3.09Å; Y137-L140 PolarHBondContact O-N 2.9Å; Y137-K141 WeakPolarHBondContact O-CB 3.49Å; Y137-K141 PolarHBondContact O-N 2.86Å
138	N	81.1	Confident	74.4	Confident	75 Å²	75	51 Å²	51	40%	0.401	31%	0.312	S	S	.	.	H	α-helix	trans	-65.3	-39	175.6	-68.8	-5.8	0	0	0	112.3	Q134 S135 F136 K141 N142	Q134-N138 PolarHBondContact NE2-OD1 2.89Å; Q134-N138 WeakPolarHBondContact O-CB 3.41Å; Q134-N138 PolarHBondContact O-N 2.87Å; Q134-N138 PolarHBondContact O-ND2 3.45Å; Q134-N138 PolarHBondContact O-OD1 2.95Å; S135-N138 PolarHBondContact O-N 3.17Å; F136-N138 VanDerWaalsContact C-N 3.32Å; F136-N138 PolarHBondContact O-N 3.32Å; N138-K141 PolarHBondContact O-N 3.3Å; N138-N142 VanDerWaalsContact O-CG 3.25Å; N138-N142 PolarHBondContact O-N 3.48Å; N138-N142 VanDerWaalsContact O-N 3.07Å; N138-N142 PolarHBondContact O-OD1 3.44Å
139	L	83.1	Confident	72.6	Confident	35 Å²	35	57 Å²	57	18%	0.183	33%	0.333	C	S	.	.	H	α-helix	trans	-62.4	-44.6	174	-73	160.6	0	0	0	111.8	S46 F48 T78 S135 F136 N142 C143	S46-L139 VanDerWaalsContact CB-CD1 3.48Å; S46-L139 VanDerWaalsContact OG-CD1 3.31Å; S46-L139 WeakPolarHBondContact OG-CD1 3.35Å; F48-L139 HydrophobicContact CE2-CD1 4.02Å; F48-L139 HydrophobicContact CZ-CD1 3.77Å; T78-L139 HydrophobicContact CG2-CD2 4.22Å; S135-L139 WeakPolarHBondContact O-CG 3.24Å; S135-L139 PolarHBondContact O-N 3.29Å; S135-L139 VanDerWaalsContact O-N 3.13Å; F136-L139 WeakPolarHBondContact O-CB 3.23Å; F136-L139 PolarHBondContact O-N 3.4Å; L139-N142 PolarHBondContact O-N 2.84Å; L139-C143 PolarHBondContact O-N 2.9Å; L139-C143 VanDerWaalsContact O-N 3.17Å
140	L	81.4	Confident	71.2	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-67.5	-37.5	175.5	-68.9	-168.7	0	0	0	112.7	A83 I85 V100 F114 F136 Y137 N142 C143 R144	A83-L140 HydrophobicContact CB-CD2 3.38Å; I85-L140 HydrophobicContact CD1-CD1 4.47Å; I85-L140 HydrophobicContact CD1-CD2 4.35Å; V100-L140 HydrophobicContact CB-CD2 4.39Å; V100-L140 HydrophobicContact CG1-CD2 4.37Å; F114-L140 HydrophobicContact CD1-CD1 4.07Å; F114-L140 HydrophobicContact CE1-CD1 3.33Å; F114-L140 HydrophobicContact CE2-CD1 4.28Å; F114-L140 HydrophobicContact CZ-CD1 3.46Å; F114-L140 VanDerWaalsContact CZ-CD1 3.46Å; F136-L140 HydrophobicContact CD1-CD1 4.32Å; F136-L140 HydrophobicContact CE1-CD1 3.5Å; F136-L140 VanDerWaalsContact CE1-CD1 3.5Å; F136-L140 HydrophobicContact CE1-CG 4.2Å; F136-L140 HydrophobicContact CE2-CD1 4.1Å; F136-L140 HydrophobicContact CE2-CG 4.25Å; F136-L140 HydrophobicContact CZ-CD1 3.38Å; F136-L140 HydrophobicContact CZ-CG 4Å; F136-L140 PolarHBondContact O-N 3.1Å; Y137-L140 PolarHBondContact O-N 2.9Å; L140-N142 VanDerWaalsContact C-N 3.29Å; L140-N142 PolarHBondContact O-N 3.41Å; L140-C143 PolarHBondContact O-N 3.15Å; L140-R144 WeakPolarHBondContact O-CB 3.48Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 2.81Å
141	K	71.9	Confident	71.2	Confident	56 Å²	56	59.4 Å²	59.4	24%	0.243	34%	0.336	C	S	.	.	H	α-helix	trans	-53.7	-50.9	173.4	-167.9	164.2	179.3	161.9	0	108.7	Y137 N138 C143 R144 H146 E159	Y137-K141 WeakPolarHBondContact O-CB 3.49Å; Y137-K141 PolarHBondContact O-N 2.86Å; N138-K141 PolarHBondContact O-N 3.3Å; K141-C143 PolarHBondContact O-N 2.6Å; K141-R144 PolarHBondContact O-N 3.26Å; K141-H146 HydrophobicContact CB-CB 4.33Å; K141-H146 HydrophobicContact CD-CB 4.34Å; K141-H146 HydrophobicContact CG-CB 3.34Å; K141-H146 WeakPolarHBondContact O-CA 3.31Å; K141-H146 WeakPolarHBondContact O-CB 3.42Å; K141-H146 PolarHBondContact O-N 3.22Å; K141-E159 IonicContact NZ-OE1 2.71Å; K141-E159 PolarHBondContact NZ-OE1 3.03Å; K141-E159 IonicContact NZ-OE2 3.81Å; K141-E159 PolarHBondContact NZ-OE2 3.35Å
142	N	66.1	Low	71.4	Confident	93 Å²	93	58.3 Å²	58.3	50%	0.497	32%	0.322	S	S	.	.	I	π-helix	trans	-60.4	-44.9	179.1	-63.7	-10.2	0	0	0	113.5	N138 L139 L140	N138-N142 VanDerWaalsContact O-CG 3.25Å; N138-N142 PolarHBondContact O-N 3.48Å; N138-N142 VanDerWaalsContact O-N 3.07Å; N138-N142 PolarHBondContact O-OD1 3.44Å; L139-N142 PolarHBondContact O-N 2.84Å; L140-N142 VanDerWaalsContact C-N 3.29Å; L140-N142 PolarHBondContact O-N 3.41Å
143	C	65.4	Low	71.5	Confident	8 Å²	8	56.4 Å²	56.4	5%	0.054	31%	0.311	C	S	.	.	I	π-helix	trans	-77.3	-23.9	-178.4	-71.1	0	0	0	0	115.4	T78 S79 D81 A83 L139 L140 K141 G145	T78-C143 WeakPolarHBondContact CB-SG 3.33Å; T78-C143 WeakPolarHBondContact CG2-SG 3.37Å; S79-C143 PolarHBondContact O-SG 3.29Å; D81-C143 CarbonylContact C-O 3.52Å; A83-C143 HydrophobicContact CB-CB 4.05Å; L139-C143 PolarHBondContact O-N 2.9Å; L139-C143 VanDerWaalsContact O-N 3.17Å; L140-C143 PolarHBondContact O-N 3.15Å; K141-C143 PolarHBondContact O-N 2.6Å; C143-G145 PolarHBondContact O-N 3.33Å
144	R	65.8	Low	71.3	Confident	54 Å²	54	58.8 Å²	58.8	20%	0.204	33%	0.328	C	S	.	.	I	π-helix	trans	-85.3	26.7	175.4	-65	-171.5	70.7	-143.3	-5	112.4	V100 S101 R102 T104 C106 L140 K141 H146	V100-R144 HydrophobicContact CG1-CG 4.12Å; S101-R144 WeakPolarHBondContact O-CG 3.49Å; S101-R144 PolarHBondContact O-NE 3.19Å; R102-R144 PolarHBondContact O-NH2 2.95Å; T104-R144 PolarHBondContact O-NH2 3.26Å; T104-R144 VanDerWaalsContact O-NH2 3.12Å; C106-R144 PolarHBondContact SG-NH1 2.88Å; L140-R144 WeakPolarHBondContact O-CB 3.48Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 2.81Å; K141-R144 PolarHBondContact O-N 3.26Å; R144-H146 PolarHBondContact O-N 3.43Å; R144-H146 PolarHBondContact O-ND1 2.86Å
145	G	50.3	Low	71.5	Confident	51 Å²	51	61 Å²	61	53%	0.526	34%	0.339	S	S	.	.	I	π-helix	trans	65.2	17.9	-178.5	0	0	0	0	0	115.3	C143 A147	C143-G145 PolarHBondContact O-N 3.33Å; G145-A147 VanDerWaalsContact C-N 3.29Å
146	H	47.3	Very low	71.7	Confident	95 Å²	95	59 Å²	59	44%	0.44	32%	0.322	S	S	.	.	I	π-helix	trans	-90.7	5.8	168.7	-52.1	47.4	0	0	0	112.1	K141 R144 G148	K141-H146 HydrophobicContact CB-CB 4.33Å; K141-H146 HydrophobicContact CD-CB 4.34Å; K141-H146 HydrophobicContact CG-CB 3.34Å; K141-H146 WeakPolarHBondContact O-CA 3.31Å; K141-H146 WeakPolarHBondContact O-CB 3.42Å; K141-H146 PolarHBondContact O-N 3.22Å; R144-H146 PolarHBondContact O-N 3.43Å; R144-H146 PolarHBondContact O-ND1 2.86Å; H146-G148 PolarHBondContact O-N 3.41Å
147	A	43.9	Very low	71.7	Confident	70 Å²	70	59.5 Å²	59.5	58%	0.579	33%	0.325	S	S	*	.	S	Bend	trans	-68.5	65.5	140.2	0	0	0	0	0	107.7	G145	G145-A147 VanDerWaalsContact C-N 3.29Å
148	G	47.3	Very low	71.7	Confident	37 Å²	37	60.4 Å²	60.4	38%	0.381	33%	0.331	S	S	.	.			trans	-65.5	144.1	-179.4	0	0	0	0	0	109.2	H146 H150	H146-G148 PolarHBondContact O-N 3.41Å; G148-H150 PolarHBondContact O-N 3.37Å; G148-H150 VanDerWaalsContact O-N 3.09Å
149	E	47	Very low	71.7	Confident	194 Å²	194	62.7 Å²	62.7	91%	0.907	34%	0.34	S	S	*	.			trans	-51.5	118	144.3	-65.4	-177	148.7	0	0	105.8	S151	E149-S151 VanDerWaalsContact C-N 3.31Å; E149-S151 PolarHBondContact O-N 3.29Å
150	H	58.6	Low	71.7	Confident	142 Å²	142	64.5 Å²	64.5	66%	0.657	36%	0.355	S	S	*	.			trans	-66	96	-178.3	-80.1	-75.3	0	0	0	107.8	G148 E155	G148-H150 PolarHBondContact O-N 3.37Å; G148-H150 VanDerWaalsContact O-N 3.09Å; H150-E155 HydrophobicContact CB-CG 3.8Å; H150-E155 WeakPolarHBondContact CB-OE1 3.28Å
151	S	83.5	Confident	71.9	Confident	15 Å²	15	64.6 Å²	64.6	11%	0.105	36%	0.356	C	S	.	.			trans	-63.3	147.2	175.8	72.4	0	0	0	0	108.8	E149 F153 S154 E155 E260	E149-S151 VanDerWaalsContact C-N 3.31Å; E149-S151 PolarHBondContact O-N 3.29Å; S151-F153 PolarHBondContact O-N 3.12Å; S151-S154 PolarHBondContact N-OG 3.37Å; S151-S154 VanDerWaalsContact N-OG 3.07Å; S151-S154 WeakPolarHBondContact O-CA 3.33Å; S151-S154 WeakPolarHBondContact O-CB 3.45Å; S151-S154 PolarHBondContact O-N 3.42Å; S151-S154 PolarHBondContact O-OG 3.33Å; S151-S154 WeakPolarHBondContact OG-CB 3.38Å; S151-S154 PolarHBondContact OG-N 3.35Å; S151-S154 PolarHBondContact OG-OG 3.44Å; S151-E155 PolarHBondContact O-N 3.17Å; S151-E155 VanDerWaalsContact O-N 3.09Å; S151-E260 VanDerWaalsContact CB-CG 3.44Å; S151-E260 VanDerWaalsContact CB-OE1 3.3Å; S151-E260 WeakPolarHBondContact CB-OE1 3.49Å; S151-E260 PolarHBondContact OG-OE1 3.48Å
152	V	87.6	Confident	72.5	Confident	42 Å²	42	62.4 Å²	62.4	26%	0.255	35%	0.348	S	S	.	.	H	α-helix	trans	-52.4	-36.3	179.4	-176.5	0	0	0	0	111.1	E155 R156 E259 H290 E380	V152-E155 PolarHBondContact O-N 3.49Å; V152-R156 WeakPolarHBondContact O-CD 3.44Å; V152-R156 WeakPolarHBondContact O-CG 3.46Å; V152-R156 PolarHBondContact O-N 2.92Å; V152-E259 HydrophobicContact CB-CG 4.48Å; V152-H290 VanDerWaalsContact CG2-NE2 3.32Å; V152-H290 WeakPolarHBondContact CG2-NE2 3.24Å; V152-E380 WeakPolarHBondContact CG1-OE2 3.38Å
153	F	88.3	Confident	73.3	Confident	13 Å²	13	61.5 Å²	61.5	6%	0.057	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-47.8	171.2	-174.4	-83.5	0	0	0	113.5	S151 E155 R156 T157 A162 F166 K257 E259	S151-F153 PolarHBondContact O-N 3.12Å; F153-E155 VanDerWaalsContact C-N 3.34Å; F153-E155 PolarHBondContact O-N 3.09Å; F153-R156 PolarHBondContact O-N 3.4Å; F153-T157 HydrophobicContact CE1-CG2 4.07Å; F153-T157 HydrophobicContact CZ-CG2 4.03Å; F153-T157 WeakPolarHBondContact O-CB 3.38Å; F153-T157 PolarHBondContact O-N 3.17Å; F153-T157 VanDerWaalsContact O-N 3.13Å; F153-T157 PolarHBondContact O-OG1 3.33Å; F153-A162 HydrophobicContact CE1-CB 3.69Å; F153-A162 HydrophobicContact CZ-CB 4Å; F153-F166 AromaticContact CE1-CE2 3.9Å; F153-F166 HydrophobicContact CE1-CE2 3.9Å; F153-F166 HydrophobicContact CE1-CZ 4.22Å; F153-F166 HydrophobicContact CE2-CE2 4.36Å; F153-F166 AromaticContact CE2-CZ 3.88Å; F153-F166 HydrophobicContact CE2-CZ 3.88Å; F153-F166 AromaticContact CZ-CE2 3.58Å; F153-F166 HydrophobicContact CZ-CE2 3.58Å; F153-F166 AromaticContact CZ-CZ 3.55Å; F153-F166 HydrophobicContact CZ-CZ 3.55Å; F153-K257 HydrophobicContact CB-CD 4.04Å; F153-K257 HydrophobicContact CD1-CD 3.4Å; F153-K257 VanDerWaalsContact CD1-CE 3.48Å; F153-K257 HydrophobicContact CD2-CD 4.03Å; F153-K257 HydrophobicContact CE1-CD 3.82Å; F153-K257 HydrophobicContact CE2-CD 4.4Å; F153-K257 HydrophobicContact CG-CD 3.53Å; F153-K257 HydrophobicContact CZ-CD 4.31Å; F153-E259 HydrophobicContact CB-CB 4.24Å; F153-E259 HydrophobicContact CB-CG 3.92Å
154	S	85.6	Confident	74.3	Confident	51 Å²	51	67 Å²	67	36%	0.357	37%	0.371	S	S	.	.	H	α-helix	trans	-69.9	-27.1	-177.7	75.1	0	0	0	0	113.7	S151	S151-S154 PolarHBondContact N-OG 3.37Å; S151-S154 VanDerWaalsContact N-OG 3.07Å; S151-S154 WeakPolarHBondContact O-CA 3.33Å; S151-S154 WeakPolarHBondContact O-CB 3.45Å; S151-S154 PolarHBondContact O-N 3.42Å; S151-S154 PolarHBondContact O-OG 3.33Å; S151-S154 WeakPolarHBondContact OG-CB 3.38Å; S151-S154 PolarHBondContact OG-N 3.35Å; S151-S154 PolarHBondContact OG-OG 3.44Å
155	E	87.7	Confident	75.4	Confident	122 Å²	122	65.8 Å²	65.8	57%	0.57	37%	0.367	S	S	*	.	H	α-helix	trans	-76.1	-39.3	175.4	-62.5	-169.6	151.4	0	0	111.8	H150 S151 V152 F153	H150-E155 HydrophobicContact CB-CG 3.8Å; H150-E155 WeakPolarHBondContact CB-OE1 3.28Å; S151-E155 PolarHBondContact O-N 3.17Å; S151-E155 VanDerWaalsContact O-N 3.09Å; V152-E155 PolarHBondContact O-N 3.49Å; F153-E155 VanDerWaalsContact C-N 3.34Å; F153-E155 PolarHBondContact O-N 3.09Å
156	R	90.3	Very high	77.2	Confident	19 Å²	19	65.2 Å²	65.2	7%	0.072	35%	0.349	C	S	.	.	H	α-helix	trans	-87	-9.5	-175.2	78.5	-165	173.1	82.7	2.7	115.1	V152 F153 E259 R283 E286 S287	V152-R156 WeakPolarHBondContact O-CD 3.44Å; V152-R156 WeakPolarHBondContact O-CG 3.46Å; V152-R156 PolarHBondContact O-N 2.92Å; F153-R156 PolarHBondContact O-N 3.4Å; R156-E259 IonicContact CZ-OE1 3.43Å; R156-E259 IonicContact NH2-OE1 3.34Å; R156-E259 PolarHBondContact NH2-OE1 2.89Å; R156-R283 PolarHBondContact NH1-O 3.37Å; R156-R283 VanDerWaalsContact NH1-O 3.14Å; R156-R283 PolarHBondContact O-NH1 2.83Å; R156-E286 VanDerWaalsContact CD-OE2 3.27Å; R156-E286 WeakPolarHBondContact CD-OE2 3.43Å; R156-E286 IonicContact CZ-OE2 3.37Å; R156-E286 IonicContact NE-OE2 2.7Å; R156-E286 IonicContact NH1-OE2 3.35Å; R156-E286 PolarHBondContact NH1-OE2 3.16Å; R156-S287 PolarHBondContact NH2-OG 2.8Å
157	T	88.3	Confident	79	Confident	10 Å²	10	66.1 Å²	66.1	6%	0.061	35%	0.354	C	S	.	.	S	Bend	trans	-130.7	134.6	-171	-50.7	0	0	0	0	113.1	F153 A162 Q462	F153-T157 HydrophobicContact CE1-CG2 4.07Å; F153-T157 HydrophobicContact CZ-CG2 4.03Å; F153-T157 WeakPolarHBondContact O-CB 3.38Å; F153-T157 PolarHBondContact O-N 3.17Å; F153-T157 VanDerWaalsContact O-N 3.13Å; F153-T157 PolarHBondContact O-OG1 3.33Å; T157-A162 HydrophobicContact CG2-CB 3.91Å; T157-Q462 HydrophobicContact CG2-CG 3.5Å
158	E	86	Confident	81.1	Confident	84 Å²	84	67.2 Å²	67.2	39%	0.393	35%	0.346	S	S	.	.			trans	-69.6	134.2	171	-83	164.3	-155.4	0	0	112.6	S160 S161 A162 K460	E158-S160 PolarHBondContact O-N 3.15Å; E158-S161 PolarHBondContact O-N 2.92Å; E158-A162 PolarHBondContact O-N 3.01Å; E158-K460 HydrophobicContact CG-CB 3.9Å; E158-K460 PolarHBondContact N-O 3.48Å; E158-K460 WeakPolarHBondContact OE1-CB 3.34Å
159	E	80.7	Confident	83.3	Confident	123 Å²	123	67.2 Å²	67.2	58%	0.575	34%	0.335	S	S	*	.	H	α-helix	trans	-53.5	-38.8	-178	-169.3	173.1	164.5	0	0	112.2	K141 V163	K141-E159 IonicContact NZ-OE1 2.71Å; K141-E159 PolarHBondContact NZ-OE1 3.03Å; K141-E159 IonicContact NZ-OE2 3.81Å; K141-E159 PolarHBondContact NZ-OE2 3.35Å; E159-V163 VanDerWaalsContact O-CG2 3.28Å; E159-V163 WeakPolarHBondContact O-CG2 3.23Å; E159-V163 PolarHBondContact O-N 3.44Å
160	S	83.1	Confident	85.3	Confident	72 Å²	72	58.6 Å²	58.6	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-44.1	175.4	46.9	0	0	0	0	113.4	E158 Q164	E158-S160 PolarHBondContact O-N 3.15Å; S160-Q164 WeakPolarHBondContact O-CG 3.39Å; S160-Q164 PolarHBondContact O-N 2.81Å
161	S	86.4	Confident	86.8	Confident	5 Å²	5	58.6 Å²	58.6	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-46.8	177.2	-174.2	0	0	0	0	110.3	E158 V163 Q164 Y165 R461 Q462 K486	E158-S161 PolarHBondContact O-N 2.92Å; S161-V163 PolarHBondContact O-N 2.93Å; S161-Q164 PolarHBondContact O-N 3.33Å; S161-Y165 VanDerWaalsContact O-CB 3.27Å; S161-Y165 WeakPolarHBondContact O-CB 3.41Å; S161-Y165 PolarHBondContact O-N 2.55Å; S161-R461 PolarHBondContact OG-O 2.88Å; S161-Q462 PolarHBondContact O-OE1 2.92Å; S161-Q462 VanDerWaalsContact O-OE1 3.11Å; S161-Q462 PolarHBondContact OG-OE1 2.83Å; S161-K486 PolarHBondContact OG-NZ 3.18Å
162	A	83.8	Confident	87.2	Confident	11 Å²	11	62.6 Å²	62.6	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-44.9	179.7	0	0	0	0	0	112.4	F153 T157 E158 Y165 F166	F153-A162 HydrophobicContact CE1-CB 3.69Å; F153-A162 HydrophobicContact CZ-CB 4Å; T157-A162 HydrophobicContact CG2-CB 3.91Å; E158-A162 PolarHBondContact O-N 3.01Å; A162-Y165 PolarHBondContact O-N 3.05Å; A162-F166 HydrophobicContact CB-CE2 4.29Å; A162-F166 WeakPolarHBondContact O-CD2 3.4Å; A162-F166 PolarHBondContact O-N 3.28Å
163	V	83.3	Confident	87.6	Confident	73 Å²	73	63.6 Å²	63.6	44%	0.442	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-46.5	178.5	169.2	0	0	0	0	111.2	E159 S161 Y165 Q167	E159-V163 VanDerWaalsContact O-CG2 3.28Å; E159-V163 WeakPolarHBondContact O-CG2 3.23Å; E159-V163 PolarHBondContact O-N 3.44Å; S161-V163 PolarHBondContact O-N 2.93Å; V163-Y165 VanDerWaalsContact C-N 3.33Å; V163-Y165 PolarHBondContact O-N 3.06Å; V163-Q167 HydrophobicContact CG1-CG 4.41Å; V163-Q167 VanDerWaalsContact O-CB 3.3Å; V163-Q167 WeakPolarHBondContact O-CB 3.32Å; V163-Q167 WeakPolarHBondContact O-CG 3.33Å; V163-Q167 PolarHBondContact O-N 3.12Å
164	Q	85.4	Confident	87.7	Confident	124 Å²	124	65.4 Å²	65.4	58%	0.579	33%	0.33	S	S	*	.	H	α-helix	trans	-62.1	-40.8	177.3	-71.6	174.7	-5	0	0	112.1	S160 S161 Q167 F168	S160-Q164 WeakPolarHBondContact O-CG 3.39Å; S160-Q164 PolarHBondContact O-N 2.81Å; S161-Q164 PolarHBondContact O-N 3.33Å; Q164-Q167 PolarHBondContact O-N 2.93Å; Q164-F168 WeakPolarHBondContact O-CB 3.38Å; Q164-F168 PolarHBondContact O-N 2.87Å
165	Y	89.6	Confident	88.2	Confident	29 Å²	29	63.5 Å²	63.5	11%	0.114	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-54	177.7	179	-92.4	0	0	0	112.3	S161 A162 V163 Q167 F168 Y169 E282	S161-Y165 VanDerWaalsContact O-CB 3.27Å; S161-Y165 WeakPolarHBondContact O-CB 3.41Å; S161-Y165 PolarHBondContact O-N 2.55Å; A162-Y165 PolarHBondContact O-N 3.05Å; V163-Y165 VanDerWaalsContact C-N 3.33Å; V163-Y165 PolarHBondContact O-N 3.06Å; Y165-Q167 VanDerWaalsContact C-N 3.31Å; Y165-Q167 PolarHBondContact O-N 2.8Å; Y165-F168 WeakPolarHBondContact O-CB 3.4Å; Y165-F168 PolarHBondContact O-N 2.76Å; Y165-Y169 HydrophobicContact CD1-CD2 4.26Å; Y165-Y169 HydrophobicContact CD2-CD2 4.27Å; Y165-Y169 HydrophobicContact CD2-CE2 4.01Å; Y165-Y169 AromaticContact CE1-CD2 3.93Å; Y165-Y169 HydrophobicContact CE1-CD2 3.93Å; Y165-Y169 HydrophobicContact CE1-CE2 4.17Å; Y165-Y169 AromaticContact CE2-CD2 3.96Å; Y165-Y169 HydrophobicContact CE2-CD2 3.96Å; Y165-Y169 AromaticContact CE2-CE2 3.44Å; Y165-Y169 HydrophobicContact CE2-CE2 3.44Å; Y165-Y169 VanDerWaalsContact CE2-CE2 3.44Å; Y165-Y169 HydrophobicContact CG-CD2 4.41Å; Y165-Y169 AromaticContact CZ-CD2 3.77Å; Y165-Y169 AromaticContact CZ-CE2 3.52Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.34Å; Y165-Y169 PolarHBondContact O-N 2.59Å; Y165-Y169 VanDerWaalsContact O-N 3.15Å; Y165-E282 HydrophobicContact CE2-CB 3.8Å; Y165-E282 HydrophobicContact CE2-CG 3.9Å; Y165-E282 WeakPolarHBondContact CE2-OE2 3.44Å
166	F	87.6	Confident	88.5	Confident	38 Å²	38	62.7 Å²	62.7	17%	0.167	31%	0.312	C	S	.	.	H	α-helix	trans	-70.2	-27.5	179.9	-62.9	-55.7	0	0	0	112.8	F153 A162 G170 A231 S232 K257	F153-F166 AromaticContact CE1-CE2 3.9Å; F153-F166 HydrophobicContact CE1-CE2 3.9Å; F153-F166 HydrophobicContact CE1-CZ 4.22Å; F153-F166 HydrophobicContact CE2-CE2 4.36Å; F153-F166 AromaticContact CE2-CZ 3.88Å; F153-F166 HydrophobicContact CE2-CZ 3.88Å; F153-F166 AromaticContact CZ-CE2 3.58Å; F153-F166 HydrophobicContact CZ-CE2 3.58Å; F153-F166 AromaticContact CZ-CZ 3.55Å; F153-F166 HydrophobicContact CZ-CZ 3.55Å; A162-F166 HydrophobicContact CB-CE2 4.29Å; A162-F166 WeakPolarHBondContact O-CD2 3.4Å; A162-F166 PolarHBondContact O-N 3.28Å; F166-G170 PolarHBondContact O-N 3.02Å; F166-A231 HydrophobicContact CD1-CB 3.76Å; F166-A231 HydrophobicContact CE1-CB 3.4Å; F166-A231 HydrophobicContact CG-CB 4.5Å; F166-A231 HydrophobicContact CZ-CB 3.84Å; F166-S232 WeakPolarHBondContact O-CB 3.49Å; F166-K257 HydrophobicContact CE2-CD 4.23Å; F166-K257 HydrophobicContact CZ-CD 4.16Å; F166-K257 HydrophobicContact CZ-CG 4.39Å
167	Q	85.9	Confident	88.5	Confident	115 Å²	115	65.8 Å²	65.8	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-43.7	169.8	-77.6	174.8	-11.3	0	0	111.9	V163 Q164 Y165 Y169 G170 Y171	V163-Q167 HydrophobicContact CG1-CG 4.41Å; V163-Q167 VanDerWaalsContact O-CB 3.3Å; V163-Q167 WeakPolarHBondContact O-CB 3.32Å; V163-Q167 WeakPolarHBondContact O-CG 3.33Å; V163-Q167 PolarHBondContact O-N 3.12Å; Q164-Q167 PolarHBondContact O-N 2.93Å; Y165-Q167 VanDerWaalsContact C-N 3.31Å; Y165-Q167 PolarHBondContact O-N 2.8Å; Q167-Y169 PolarHBondContact O-N 3.08Å; Q167-G170 PolarHBondContact O-N 3.43Å; Q167-Y171 WeakPolarHBondContact O-CD2 3.46Å; Q167-Y171 WeakPolarHBondContact O-CE2 3.45Å
168	F	87.4	Confident	88.8	Confident	93 Å²	93	66.2 Å²	66.2	41%	0.408	33%	0.331	S	S	.	.	H	α-helix	trans	-58.2	-48.9	176.8	178.7	-93.9	0	0	0	111.8	Q164 Y165 G170 Y171 Q174	Q164-F168 WeakPolarHBondContact O-CB 3.38Å; Q164-F168 PolarHBondContact O-N 2.87Å; Y165-F168 WeakPolarHBondContact O-CB 3.4Å; Y165-F168 PolarHBondContact O-N 2.76Å; F168-G170 VanDerWaalsContact C-N 3.27Å; F168-G170 PolarHBondContact O-N 2.79Å; F168-Y171 PolarHBondContact O-N 2.87Å; F168-Q174 HydrophobicContact CD1-CG 4.29Å; F168-Q174 HydrophobicContact CD2-CG 4.18Å; F168-Q174 HydrophobicContact CE1-CB 4.2Å; F168-Q174 HydrophobicContact CE1-CG 3.93Å; F168-Q174 VanDerWaalsContact CE2-CD 3.45Å; F168-Q174 HydrophobicContact CE2-CG 3.83Å; F168-Q174 VanDerWaalsContact CE2-NE2 3.29Å; F168-Q174 HydrophobicContact CG-CG 4.4Å; F168-Q174 HydrophobicContact CZ-CB 4.33Å; F168-Q174 HydrophobicContact CZ-CG 3.69Å; F168-Q174 WeakPolarHBondContact O-CG 3.33Å
169	Y	92.3	Very high	89.1	Confident	37 Å²	37	65.8 Å²	65.8	15%	0.145	33%	0.33	C	S	.	.	H	α-helix	trans	-72.1	-17.4	178.7	-77.9	-68.6	0	0	0	114.7	Y165 Q167 Y171 Q175 M178 E282	Y165-Y169 HydrophobicContact CD1-CD2 4.26Å; Y165-Y169 HydrophobicContact CD2-CD2 4.27Å; Y165-Y169 HydrophobicContact CD2-CE2 4.01Å; Y165-Y169 AromaticContact CE1-CD2 3.93Å; Y165-Y169 HydrophobicContact CE1-CD2 3.93Å; Y165-Y169 HydrophobicContact CE1-CE2 4.17Å; Y165-Y169 AromaticContact CE2-CD2 3.96Å; Y165-Y169 HydrophobicContact CE2-CD2 3.96Å; Y165-Y169 AromaticContact CE2-CE2 3.44Å; Y165-Y169 HydrophobicContact CE2-CE2 3.44Å; Y165-Y169 VanDerWaalsContact CE2-CE2 3.44Å; Y165-Y169 HydrophobicContact CG-CD2 4.41Å; Y165-Y169 AromaticContact CZ-CD2 3.77Å; Y165-Y169 AromaticContact CZ-CE2 3.52Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.34Å; Y165-Y169 PolarHBondContact O-N 2.59Å; Y165-Y169 VanDerWaalsContact O-N 3.15Å; Q167-Y169 PolarHBondContact O-N 3.08Å; Y169-Y171 VanDerWaalsContact C-N 3.25Å; Y169-Y171 PolarHBondContact O-N 2.85Å; Y169-Q175 PolarHBondContact O-NE2 2.93Å; Y169-M178 HydrophobicContact CD1-CE 3.94Å; Y169-M178 HydrophobicContact CE1-CE 3.81Å; Y169-M178 HydrophobicContact CE1-SD 3.86Å; Y169-E282 WeakPolarHBondContact CE2-OE2 3.18Å; Y169-E282 PolarHBondContact OH-OE2 2.81Å
170	G	89.1	Confident	89.7	Confident	13 Å²	13	66.2 Å²	66.2	13%	0.134	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.7	171.9	0	0	0	0	0	114.9	F166 Q167 F168 M234	F166-G170 PolarHBondContact O-N 3.02Å; Q167-G170 PolarHBondContact O-N 3.43Å; F168-G170 VanDerWaalsContact C-N 3.27Å; F168-G170 PolarHBondContact O-N 2.79Å; G170-M234 VanDerWaalsContact C-CE 3.48Å; G170-M234 WeakPolarHBondContact O-CE 3.47Å
171	Y	90.9	Very high	90.2	Very high	142 Å²	142	63.6 Å²	63.6	56%	0.557	31%	0.313	S	S	*	.			trans	-85.9	125.4	176.3	-69.4	-73.5	0	0	0	112.5	Q167 F168 Y169 S173 Q174 Q175	Q167-Y171 WeakPolarHBondContact O-CD2 3.46Å; Q167-Y171 WeakPolarHBondContact O-CE2 3.45Å; F168-Y171 PolarHBondContact O-N 2.87Å; Y169-Y171 VanDerWaalsContact C-N 3.25Å; Y169-Y171 PolarHBondContact O-N 2.85Å; Y171-S173 PolarHBondContact O-N 2.81Å; Y171-Q174 PolarHBondContact O-N 3.42Å; Y171-Q175 PolarHBondContact O-N 2.89Å
172	L	92.8	Very high	90.6	Very high	99 Å²	99	72 Å²	72	52%	0.518	35%	0.345	S	S	.	.	H	α-helix	trans	-56.7	-30.7	174.9	-74.8	169.8	0	0	0	113.3	Q174 Q175 Q176 M234 H237	L172-Q174 VanDerWaalsContact C-N 3.35Å; L172-Q174 PolarHBondContact O-N 2.92Å; L172-Q175 PolarHBondContact O-N 3.38Å; L172-Q176 WeakPolarHBondContact O-CB 3.25Å; L172-Q176 PolarHBondContact O-N 3.49Å; L172-M234 HydrophobicContact CD2-CE 3.98Å; L172-M234 HydrophobicContact CD2-SD 3.76Å; L172-M234 HydrophobicContact CG-CE 4.19Å; L172-H237 HydrophobicContact CD2-CB 4.32Å
173	S	94.2	Very high	91.2	Very high	63 Å²	63	73.5 Å²	73.5	44%	0.441	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-34.8	176	50.4	0	0	0	0	113.1	Y171 Q176 N177	Y171-S173 PolarHBondContact O-N 2.81Å; S173-Q176 PolarHBondContact O-N 2.86Å; S173-N177 PolarHBondContact O-N 2.81Å; S173-N177 PolarHBondContact O-ND2 3.44Å; S173-N177 PolarHBondContact O-OD1 3.27Å
174	Q	92.1	Very high	91.9	Very high	51 Å²	51	71.3 Å²	71.3	24%	0.238	34%	0.337	C	S	.	.	H	α-helix	trans	-74	-39.2	176.4	-57.7	-57.2	-7.4	0	0	111.5	F168 Y171 L172 Q176 N177 M178	F168-Q174 HydrophobicContact CD1-CG 4.29Å; F168-Q174 HydrophobicContact CD2-CG 4.18Å; F168-Q174 HydrophobicContact CE1-CB 4.2Å; F168-Q174 HydrophobicContact CE1-CG 3.93Å; F168-Q174 VanDerWaalsContact CE2-CD 3.45Å; F168-Q174 HydrophobicContact CE2-CG 3.83Å; F168-Q174 VanDerWaalsContact CE2-NE2 3.29Å; F168-Q174 HydrophobicContact CG-CG 4.4Å; F168-Q174 HydrophobicContact CZ-CB 4.33Å; F168-Q174 HydrophobicContact CZ-CG 3.69Å; F168-Q174 WeakPolarHBondContact O-CG 3.33Å; Y171-Q174 PolarHBondContact O-N 3.42Å; L172-Q174 VanDerWaalsContact C-N 3.35Å; L172-Q174 PolarHBondContact O-N 2.92Å; Q174-Q176 VanDerWaalsContact C-N 3.29Å; Q174-Q176 PolarHBondContact O-N 3.03Å; Q174-N177 WeakPolarHBondContact O-CB 3.18Å; Q174-N177 PolarHBondContact O-N 2.72Å; Q174-N177 PolarHBondContact OE1-ND2 3.07Å; Q174-M178 WeakPolarHBondContact O-CG 3.17Å; Q174-M178 PolarHBondContact O-N 2.77Å; Q174-M178 VanDerWaalsContact O-N 3.11Å
175	Q	94.8	Very high	92.4	Very high	11 Å²	11	66.5 Å²	66.5	5%	0.051	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-41.1	170.2	-59	-65.9	-28.3	0	0	111.3	Y169 Y171 L172 M178 M179 M234	Y169-Q175 PolarHBondContact O-NE2 2.93Å; Y171-Q175 PolarHBondContact O-N 2.89Å; L172-Q175 PolarHBondContact O-N 3.38Å; Q175-M178 PolarHBondContact O-N 3.15Å; Q175-M179 WeakPolarHBondContact O-CB 3.48Å; Q175-M179 VanDerWaalsContact O-CG 3.23Å; Q175-M179 WeakPolarHBondContact O-CG 3.46Å; Q175-M179 PolarHBondContact O-N 2.88Å; Q175-M234 HydrophobicContact CG-CE 3.59Å; Q175-M234 HydrophobicContact CG-CG 3.93Å; Q175-M234 HydrophobicContact CG-SD 3.73Å
176	Q	94	Very high	92.8	Very high	104 Å²	104	65.4 Å²	65.4	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-45.9	174.5	-178	-176.2	-30.8	0	0	112	L172 S173 Q174 M178 M179 Q180	L172-Q176 WeakPolarHBondContact O-CB 3.25Å; L172-Q176 PolarHBondContact O-N 3.49Å; S173-Q176 PolarHBondContact O-N 2.86Å; Q174-Q176 VanDerWaalsContact C-N 3.29Å; Q174-Q176 PolarHBondContact O-N 3.03Å; Q176-M178 VanDerWaalsContact C-N 3.27Å; Q176-M178 PolarHBondContact O-N 2.85Å; Q176-M179 PolarHBondContact O-N 2.71Å; Q176-M179 VanDerWaalsContact O-N 3.15Å; Q176-Q180 HydrophobicContact CG-CG 3.99Å; Q176-Q180 WeakPolarHBondContact O-CB 3.32Å; Q176-Q180 WeakPolarHBondContact O-CG 3.35Å; Q176-Q180 PolarHBondContact O-N 3.26Å
177	N	90.4	Very high	93.3	Very high	84 Å²	84	63.9 Å²	63.9	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-54.6	-45.2	176.8	-69.2	-23.5	0	0	0	111.2	S173 Q174 D181	S173-N177 PolarHBondContact O-N 2.81Å; S173-N177 PolarHBondContact O-ND2 3.44Å; S173-N177 PolarHBondContact O-OD1 3.27Å; Q174-N177 WeakPolarHBondContact O-CB 3.18Å; Q174-N177 PolarHBondContact O-N 2.72Å; Q174-N177 PolarHBondContact OE1-ND2 3.07Å; N177-D181 PolarHBondContact O-N 3.38Å
178	M	94	Very high	93.9	Very high	19 Å²	19	58.6 Å²	58.6	9%	0.094	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-40.1	176.7	-69	-170.8	-64.4	0	0	113.3	Y169 Q174 Q175 Q176 R184 T185	Y169-M178 HydrophobicContact CD1-CE 3.94Å; Y169-M178 HydrophobicContact CE1-CE 3.81Å; Y169-M178 HydrophobicContact CE1-SD 3.86Å; Q174-M178 WeakPolarHBondContact O-CG 3.17Å; Q174-M178 PolarHBondContact O-N 2.77Å; Q174-M178 VanDerWaalsContact O-N 3.11Å; Q175-M178 PolarHBondContact O-N 3.15Å; Q176-M178 VanDerWaalsContact C-N 3.27Å; Q176-M178 PolarHBondContact O-N 2.85Å; M178-R184 WeakPolarHBondContact O-CD 3.48Å; M178-R184 PolarHBondContact SD-NH1 3.11Å; M178-R184 VanDerWaalsContact SD-NH1 3.42Å; M178-T185 PolarHBondContact O-OG1 2.82Å
179	M	93.1	Very high	94.5	Very high	75 Å²	75	57.4 Å²	57.4	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-76.6	-23.6	-179.5	-70.7	173.6	65.8	0	0	113.5	Q175 Q176 T185 S211 I213	Q175-M179 WeakPolarHBondContact O-CB 3.48Å; Q175-M179 VanDerWaalsContact O-CG 3.23Å; Q175-M179 WeakPolarHBondContact O-CG 3.46Å; Q175-M179 PolarHBondContact O-N 2.88Å; Q176-M179 PolarHBondContact O-N 2.71Å; Q176-M179 VanDerWaalsContact O-N 3.15Å; M179-T185 PolarHBondContact O-OG1 2.69Å; M179-S211 PolarHBondContact SD-OG 3.42Å; M179-I213 HydrophobicContact CE-CB 4.44Å; M179-I213 HydrophobicContact CE-CD1 4.13Å; M179-I213 HydrophobicContact CE-CG1 4.27Å
180	Q	94.3	Very high	94.8	Very high	133 Å²	133	60.7 Å²	60.7	62%	0.621	29%	0.29	S	S	*	.	H	α-helix	trans	-80.5	-16.1	175.4	-73.2	-172.2	-55.6	0	0	113.2	Q176 Y182	Q176-Q180 HydrophobicContact CG-CG 3.99Å; Q176-Q180 WeakPolarHBondContact O-CB 3.32Å; Q176-Q180 WeakPolarHBondContact O-CG 3.35Å; Q176-Q180 PolarHBondContact O-N 3.26Å; Q180-Y182 PolarHBondContact O-N 2.86Å
181	D	93.7	Very high	95.2	Very high	17 Å²	17	60.1 Å²	60.1	9%	0.091	28%	0.284	C	S	.	.			trans	-68	96.3	164	-173.2	-26.9	0	0	0	109.1	N177 V183 R184 T185 T429 H430	N177-D181 PolarHBondContact O-N 3.38Å; D181-V183 VanDerWaalsContact C-N 3.32Å; D181-V183 WeakPolarHBondContact OD1-CB 3.38Å; D181-V183 PolarHBondContact OD1-N 2.88Å; D181-V183 VanDerWaalsContact OD1-N 3.09Å; D181-R184 HydrophobicContact CB-CB 3.88Å; D181-R184 PolarHBondContact O-N 3.46Å; D181-R184 PolarHBondContact OD1-N 2.82Å; D181-T185 WeakPolarHBondContact O-CB 3.11Å; D181-T185 PolarHBondContact O-N 2.59Å; D181-T185 PolarHBondContact O-OG1 3.03Å; D181-T429 WeakPolarHBondContact OD2-CA 3.36Å; D181-T429 WeakPolarHBondContact OD2-CB 3.46Å; D181-H430 IonicContact OD2-CE1 2.7Å; D181-H430 IonicContact OD2-CG 3.38Å; D181-H430 PolarHBondContact OD2-N 3.07Å; D181-H430 IonicContact OD2-ND1 2.87Å; D181-H430 PolarHBondContact OD2-ND1 2.73Å
182	Y	94.6	Very high	95.6	Very high	182 Å²	182	53.4 Å²	53.4	71%	0.714	26%	0.258	S	S	*	.	H	α-helix	trans	-69.2	-30.3	-178.9	-175.4	-97.8	0	0	0	112.5	Q180 G186	Q180-Y182 PolarHBondContact O-N 2.86Å; Y182-G186 WeakPolarHBondContact O-CA 2.95Å; Y182-G186 PolarHBondContact O-N 3.38Å
183	V	96	Very high	95.9	Very high	42 Å²	42	51.7 Å²	51.7	26%	0.255	25%	0.249	S	C	.	.	H	α-helix	trans	-64.9	-46.7	175.9	-179.9	0	0	0	0	108.8	D181 T187 P427 T429	D181-V183 VanDerWaalsContact C-N 3.32Å; D181-V183 WeakPolarHBondContact OD1-CB 3.38Å; D181-V183 PolarHBondContact OD1-N 2.88Å; D181-V183 VanDerWaalsContact OD1-N 3.09Å; V183-T187 WeakPolarHBondContact O-CB 3.1Å; V183-T187 PolarHBondContact O-N 3.22Å; V183-T187 PolarHBondContact O-OG1 2.93Å; V183-P427 HydrophobicContact CG2-CB 4.09Å; V183-T429 HydrophobicContact CB-CG2 4.03Å; V183-T429 HydrophobicContact CG1-CG2 3.8Å
184	R	97.1	Very high	96.1	Very high	27 Å²	27	52.6 Å²	52.6	10%	0.102	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-69.8	170.3	170.2	-176.9	166.5	138.6	10.7	111.8	M178 D181 G186 T187 Y188 E273 L420 H430 W431	M178-R184 WeakPolarHBondContact O-CD 3.48Å; M178-R184 PolarHBondContact SD-NH1 3.11Å; M178-R184 VanDerWaalsContact SD-NH1 3.42Å; D181-R184 HydrophobicContact CB-CB 3.88Å; D181-R184 PolarHBondContact O-N 3.46Å; D181-R184 PolarHBondContact OD1-N 2.82Å; R184-G186 PolarHBondContact O-N 2.86Å; R184-T187 PolarHBondContact O-N 3.41Å; R184-T187 VanDerWaalsContact O-N 3.14Å; R184-Y188 HydrophobicContact CG-CD2 4.45Å; R184-Y188 WeakPolarHBondContact O-CD2 3.4Å; R184-Y188 PolarHBondContact O-N 3.04Å; R184-Y188 VanDerWaalsContact O-N 3.08Å; R184-E273 IonicContact CZ-OE2 2.79Å; R184-E273 IonicContact NE-OE2 3.62Å; R184-E273 IonicContact NH1-OE2 3.81Å; R184-E273 PolarHBondContact NH1-OE2 3.34Å; R184-E273 IonicContact NH2-OE2 2.77Å; R184-E273 PolarHBondContact NH2-OE2 2.91Å; R184-L420 HydrophobicContact CB-CD1 4.44Å; R184-H430 PolarHBondContact NH1-CE1 3.41Å; R184-H430 PolarHBondContact NH1-NE2 2.99Å; R184-W431 HydrophobicContact CB-CH2 4.09Å; R184-W431 HydrophobicContact CB-CZ3 4.03Å; R184-W431 HydrophobicContact CG-CH2 3.86Å; R184-W431 HydrophobicContact CG-CZ3 4.32Å
185	T	96.9	Very high	96.4	Very high	23 Å²	23	50.1 Å²	50.1	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-40.9	-165.6	-57.9	0	0	0	0	111.5	M178 M179 D181 Q189 I213 F217	M178-T185 PolarHBondContact O-OG1 2.82Å; M179-T185 PolarHBondContact O-OG1 2.69Å; D181-T185 WeakPolarHBondContact O-CB 3.11Å; D181-T185 PolarHBondContact O-N 2.59Å; D181-T185 PolarHBondContact O-OG1 3.03Å; T185-Q189 PolarHBondContact O-N 3.29Å; T185-I213 HydrophobicContact CG2-CG1 4.23Å; T185-F217 HydrophobicContact CG2-CE2 4.08Å; T185-F217 HydrophobicContact CG2-CZ 3.82Å
186	G	97.9	Very high	96.6	Very high	6 Å²	6	54 Å²	54	6%	0.062	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-35.2	176.5	0	0	0	0	0	113.1	Y182 R184 Q189 R190	Y182-G186 WeakPolarHBondContact O-CA 2.95Å; Y182-G186 PolarHBondContact O-N 3.38Å; R184-G186 PolarHBondContact O-N 2.86Å; G186-Q189 PolarHBondContact O-N 3.37Å; G186-R190 VanDerWaalsContact C-NH1 3.28Å; G186-R190 VanDerWaalsContact O-CG 3.32Å; G186-R190 WeakPolarHBondContact O-CG 3.25Å; G186-R190 PolarHBondContact O-N 3.39Å; G186-R190 PolarHBondContact O-NH1 3.39Å
187	T	98.6	Very high	96.8	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-72.8	-39.9	178.8	-57.1	0	0	0	0	112	V183 R184 R190 A191 V418 W419 L420	V183-T187 WeakPolarHBondContact O-CB 3.1Å; V183-T187 PolarHBondContact O-N 3.22Å; V183-T187 PolarHBondContact O-OG1 2.93Å; R184-T187 PolarHBondContact O-N 3.41Å; R184-T187 VanDerWaalsContact O-N 3.14Å; T187-R190 PolarHBondContact O-N 3.06Å; T187-R190 PolarHBondContact OG1-NH2 3.44Å; T187-A191 WeakPolarHBondContact O-CB 3.43Å; T187-A191 PolarHBondContact O-N 3.35Å; T187-V418 HydrophobicContact CG2-CG1 3.89Å; T187-W419 WeakPolarHBondContact CG2-O 3.38Å; T187-L420 HydrophobicContact CG2-CB 3.84Å
188	Y	98.8	Very high	97.2	Very high	4 Å²	4	49 Å²	49	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-47.6	169.8	-93.2	-88.8	0	0	0	112.1	R184 R190 A191 I192 L214 S272 E273 M275 F411 L420	R184-Y188 HydrophobicContact CG-CD2 4.45Å; R184-Y188 WeakPolarHBondContact O-CD2 3.4Å; R184-Y188 PolarHBondContact O-N 3.04Å; R184-Y188 VanDerWaalsContact O-N 3.08Å; Y188-R190 PolarHBondContact O-N 3.22Å; Y188-A191 PolarHBondContact O-N 2.91Å; Y188-I192 WeakPolarHBondContact O-CG1 3.43Å; Y188-I192 PolarHBondContact O-N 3.39Å; Y188-L214 HydrophobicContact CD1-CD1 3.89Å; Y188-L214 HydrophobicContact CD1-CD2 3.52Å; Y188-L214 HydrophobicContact CD1-CG 4.37Å; Y188-L214 HydrophobicContact CE1-CD1 3.83Å; Y188-L214 HydrophobicContact CE1-CD2 4.3Å; Y188-L214 HydrophobicContact CG-CD2 3.76Å; Y188-S272 VanDerWaalsContact CE1-O 3.26Å; Y188-S272 WeakPolarHBondContact CE1-O 3.31Å; Y188-S272 PolarHBondContact OH-O 3.06Å; Y188-E273 HydrophobicContact CE1-CB 4.49Å; Y188-E273 HydrophobicContact CE2-CB 4.32Å; Y188-E273 HydrophobicContact CE2-CG 3.85Å; Y188-E273 WeakPolarHBondContact OH-CA 3.44Å; Y188-M275 HydrophobicContact CE2-CE 4.14Å; Y188-M275 WeakPolarHBondContact OH-CE 3.26Å; Y188-F411 AromaticContact CD1-CE1 3.92Å; Y188-F411 HydrophobicContact CD1-CE1 3.92Å; Y188-F411 AromaticContact CD1-CZ 3.97Å; Y188-F411 HydrophobicContact CD1-CZ 3.97Å; Y188-F411 HydrophobicContact CD2-CZ 4.12Å; Y188-F411 AromaticContact CE1-CE1 3.53Å; Y188-F411 HydrophobicContact CE1-CE1 3.53Å; Y188-F411 AromaticContact CE1-CZ 3.67Å; Y188-F411 HydrophobicContact CE1-CZ 3.67Å; Y188-F411 AromaticContact CE2-CZ 3.81Å; Y188-F411 HydrophobicContact CE2-CZ 3.81Å; Y188-F411 HydrophobicContact CG-CZ 4.2Å; Y188-F411 AromaticContact CZ-CE1 3.85Å; Y188-F411 AromaticContact CZ-CZ 3.58Å; Y188-L420 HydrophobicContact CD2-CD1 4.32Å; Y188-L420 HydrophobicContact CE2-CD1 4.27Å
189	Q	98.8	Very high	97.5	Very high	69 Å²	69	48.1 Å²	48.1	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-46	177.4	-167.1	-178.8	33	0	0	111.8	T185 G186 I192 L193 F217 Q220	T185-Q189 PolarHBondContact O-N 3.29Å; G186-Q189 PolarHBondContact O-N 3.37Å; Q189-I192 PolarHBondContact O-N 3.36Å; Q189-L193 HydrophobicContact CG-CD1 3.69Å; Q189-L193 HydrophobicContact CG-CG 4.14Å; Q189-L193 WeakPolarHBondContact O-CB 3.47Å; Q189-L193 VanDerWaalsContact O-CG 3.31Å; Q189-L193 WeakPolarHBondContact O-CG 3.26Å; Q189-L193 PolarHBondContact O-N 2.83Å; Q189-F217 HydrophobicContact CB-CD1 4.19Å; Q189-F217 HydrophobicContact CB-CD2 3.87Å; Q189-F217 HydrophobicContact CB-CE1 4.03Å; Q189-F217 HydrophobicContact CB-CE2 3.7Å; Q189-F217 HydrophobicContact CB-CG 4.12Å; Q189-F217 HydrophobicContact CB-CZ 3.79Å; Q189-F217 HydrophobicContact CG-CD1 3.69Å; Q189-F217 HydrophobicContact CG-CD2 4.23Å; Q189-F217 HydrophobicContact CG-CE1 3.75Å; Q189-F217 HydrophobicContact CG-CE2 4.29Å; Q189-F217 HydrophobicContact CG-CG 3.95Å; Q189-F217 HydrophobicContact CG-CZ 4.06Å; Q189-Q220 VanDerWaalsContact NE2-OE1 3.13Å
190	R	98.5	Very high	97.7	Very high	106 Å²	106	50.1 Å²	50.1	40%	0.4	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-48.7	176.4	-73.2	-169.2	-43.2	-82.1	1.2	111.5	G186 T187 Y188 I192 L193 Q194	G186-R190 VanDerWaalsContact C-NH1 3.28Å; G186-R190 VanDerWaalsContact O-CG 3.32Å; G186-R190 WeakPolarHBondContact O-CG 3.25Å; G186-R190 PolarHBondContact O-N 3.39Å; G186-R190 PolarHBondContact O-NH1 3.39Å; T187-R190 PolarHBondContact O-N 3.06Å; T187-R190 PolarHBondContact OG1-NH2 3.44Å; Y188-R190 PolarHBondContact O-N 3.22Å; R190-I192 VanDerWaalsContact C-N 3.31Å; R190-I192 PolarHBondContact O-N 3.22Å; R190-L193 PolarHBondContact O-N 3.08Å; R190-Q194 WeakPolarHBondContact O-CB 3.41Å; R190-Q194 VanDerWaalsContact O-CG 3.24Å; R190-Q194 WeakPolarHBondContact O-CG 3.22Å; R190-Q194 PolarHBondContact O-N 3.27Å; R190-Q194 PolarHBondContact O-OE1 2.83Å
191	A	98.8	Very high	97.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-55.5	-45.9	179.7	0	0	0	0	0	112.3	T187 Y188 N195 F302 F411 V418	T187-A191 WeakPolarHBondContact O-CB 3.43Å; T187-A191 PolarHBondContact O-N 3.35Å; Y188-A191 PolarHBondContact O-N 2.91Å; A191-N195 WeakPolarHBondContact O-CB 3.45Å; A191-N195 PolarHBondContact O-N 2.84Å; A191-N195 PolarHBondContact O-ND2 2.97Å; A191-F302 HydrophobicContact CB-CE2 4.24Å; A191-F411 HydrophobicContact CB-CB 3.74Å; A191-F411 HydrophobicContact CB-CD1 4.16Å; A191-F411 HydrophobicContact CB-CD2 3.69Å; A191-F411 HydrophobicContact CB-CE2 4.35Å; A191-F411 HydrophobicContact CB-CG 3.59Å; A191-V418 HydrophobicContact CB-CB 3.92Å; A191-V418 HydrophobicContact CB-CG1 4.08Å; A191-V418 HydrophobicContact CB-CG2 4.33Å
192	I	98.9	Very high	98.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-50.2	-179.8	-67.1	169	0	0	0	111.4	Y188 Q189 R190 N195 H196 F199 F217 A221 F302	Y188-I192 WeakPolarHBondContact O-CG1 3.43Å; Y188-I192 PolarHBondContact O-N 3.39Å; Q189-I192 PolarHBondContact O-N 3.36Å; R190-I192 VanDerWaalsContact C-N 3.31Å; R190-I192 PolarHBondContact O-N 3.22Å; I192-N195 CarbonylContact O-C 3.59Å; I192-N195 PolarHBondContact O-N 3.46Å; I192-H196 PolarHBondContact O-N 3.19Å; I192-F199 HydrophobicContact CB-CE2 4.13Å; I192-F199 HydrophobicContact CB-CZ 4.15Å; I192-F199 HydrophobicContact CG1-CE1 4.31Å; I192-F199 HydrophobicContact CG1-CE2 4.18Å; I192-F199 HydrophobicContact CG1-CZ 3.75Å; I192-F199 HydrophobicContact CG2-CD1 4.17Å; I192-F199 HydrophobicContact CG2-CD2 3.99Å; I192-F199 HydrophobicContact CG2-CE1 4.05Å; I192-F199 HydrophobicContact CG2-CE2 3.88Å; I192-F199 HydrophobicContact CG2-CG 4.15Å; I192-F199 HydrophobicContact CG2-CZ 3.91Å; I192-F217 HydrophobicContact CB-CB 4.38Å; I192-F217 HydrophobicContact CD1-CB 3.8Å; I192-F217 HydrophobicContact CD1-CD2 4.33Å; I192-F217 HydrophobicContact CG2-CB 4.1Å; I192-F217 WeakPolarHBondContact CG2-O 3.37Å; I192-A221 HydrophobicContact CG2-CB 3.84Å; I192-F302 HydrophobicContact CG1-CD2 4.37Å
193	L	98.8	Very high	98.4	Very high	63 Å²	63	43 Å²	43	33%	0.33	21%	0.209	S	C	.	.	H	α-helix	trans	-71.5	-37.1	-176.2	-65	-177.6	0	0	0	113.1	Q189 R190 N195 H196 Q220 A221	Q189-L193 HydrophobicContact CG-CD1 3.69Å; Q189-L193 HydrophobicContact CG-CG 4.14Å; Q189-L193 WeakPolarHBondContact O-CB 3.47Å; Q189-L193 VanDerWaalsContact O-CG 3.31Å; Q189-L193 WeakPolarHBondContact O-CG 3.26Å; Q189-L193 PolarHBondContact O-N 2.83Å; R190-L193 PolarHBondContact O-N 3.08Å; L193-N195 VanDerWaalsContact C-N 3.26Å; L193-N195 PolarHBondContact O-N 2.86Å; L193-H196 WeakPolarHBondContact O-CB 3.5Å; L193-H196 PolarHBondContact O-N 3.19Å; L193-Q220 HydrophobicContact CD2-CB 3.83Å; L193-A221 HydrophobicContact CD2-CB 4.14Å
194	Q	98.6	Very high	98.5	Very high	81 Å²	81	41 Å²	41	38%	0.379	20%	0.197	S	C	.	.	H	α-helix	trans	-71.5	-24.3	177.9	-67.4	178	-51.6	0	0	112.2	R190 M416	R190-Q194 WeakPolarHBondContact O-CB 3.41Å; R190-Q194 VanDerWaalsContact O-CG 3.24Å; R190-Q194 WeakPolarHBondContact O-CG 3.22Å; R190-Q194 PolarHBondContact O-N 3.27Å; R190-Q194 PolarHBondContact O-OE1 2.83Å; Q194-M416 HydrophobicContact CB-CE 4.06Å; Q194-M416 HydrophobicContact CB-CG 4.35Å; Q194-M416 HydrophobicContact CB-SD 3.81Å; Q194-M416 HydrophobicContact CG-SD 4.29Å
195	N	98.8	Very high	98.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	33.8	172.5	-67.9	-72.6	0	0	0	112.5	A191 I192 L193 T197 D198 F302 G413 S414 V415 M416	A191-N195 WeakPolarHBondContact O-CB 3.45Å; A191-N195 PolarHBondContact O-N 2.84Å; A191-N195 PolarHBondContact O-ND2 2.97Å; I192-N195 CarbonylContact O-C 3.59Å; I192-N195 PolarHBondContact O-N 3.46Å; L193-N195 VanDerWaalsContact C-N 3.26Å; L193-N195 PolarHBondContact O-N 2.86Å; N195-T197 PolarHBondContact O-N 3.2Å; N195-D198 WeakPolarHBondContact O-CB 3.48Å; N195-D198 PolarHBondContact O-N 3.4Å; N195-F302 HydrophobicContact CB-CE2 4.42Å; N195-F302 HydrophobicContact CB-CZ 4.1Å; N195-G413 VanDerWaalsContact CG-CA 3.5Å; N195-G413 VanDerWaalsContact OD1-CA 3.25Å; N195-G413 WeakPolarHBondContact OD1-CA 3.33Å; N195-S414 PolarHBondContact OD1-N 3.27Å; N195-V415 WeakPolarHBondContact OD1-CA 3.43Å; N195-V415 WeakPolarHBondContact OD1-CB 3.48Å; N195-V415 PolarHBondContact OD1-N 3.14Å; N195-M416 PolarHBondContact ND2-O 3.3Å; N195-M416 PolarHBondContact OD1-N 2.85Å; N195-M416 PolarHBondContact OD1-O 3.17Å
196	H	98.6	Very high	98.7	Very high	91 Å²	91	38.7 Å²	38.7	42%	0.421	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-52.9	-22.6	-176.2	70	85.7	0	0	0	114.6	I192 L193 D198 F199 K200 A221	I192-H196 PolarHBondContact O-N 3.19Å; L193-H196 WeakPolarHBondContact O-CB 3.5Å; L193-H196 PolarHBondContact O-N 3.19Å; H196-D198 PolarHBondContact O-N 3.37Å; H196-F199 PolarHBondContact O-N 3.04Å; H196-F199 VanDerWaalsContact O-N 3.13Å; H196-K200 VanDerWaalsContact O-CB 3.28Å; H196-K200 WeakPolarHBondContact O-CB 3.29Å; H196-K200 PolarHBondContact O-N 2.81Å; H196-A221 HydrophobicContact CB-CB 4.26Å
197	T	98.6	Very high	98.8	Very high	67 Å²	67	38.6 Å²	38.6	41%	0.411	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-62.6	-26	173.7	56.4	0	0	0	0	113.7	N195 F199 V415	N195-T197 PolarHBondContact O-N 3.2Å; T197-F199 VanDerWaalsContact C-N 3.3Å; T197-V415 HydrophobicContact CG2-CG2 4.26Å
198	D	98.7	Very high	98.7	Very high	18 Å²	18	39.9 Å²	39.9	10%	0.096	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-83.4	-8.4	177.7	-64.9	-13.7	0	0	0	112.4	N195 H196 K202 I269 K300 G413 S414	N195-D198 WeakPolarHBondContact O-CB 3.48Å; N195-D198 PolarHBondContact O-N 3.4Å; H196-D198 PolarHBondContact O-N 3.37Å; D198-K202 WeakPolarHBondContact O-CG 3.5Å; D198-I269 HydrophobicContact CB-CD1 4.48Å; D198-K300 HydrophobicContact CB-CD 4.39Å; D198-K300 IonicContact OD1-NZ 2.99Å; D198-K300 WeakPolarHBondContact OD2-CD 3.42Å; D198-K300 WeakPolarHBondContact OD2-CE 3.36Å; D198-K300 IonicContact OD2-NZ 2.76Å; D198-K300 PolarHBondContact OD2-NZ 2.92Å; D198-G413 WeakPolarHBondContact OD2-CA 3.42Å; D198-S414 WeakPolarHBondContact OD1-CB 3.39Å; D198-S414 PolarHBondContact OD1-OG 3.13Å; D198-S414 PolarHBondContact OD2-N 3.08Å; D198-S414 PolarHBondContact OD2-OG 2.99Å
199	F	98.9	Very high	98.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-34.8	-179.1	-66.7	-87.2	0	0	0	113	I192 H196 T197 D201 K202 V204 A218 A221 A223 I269 I271 F302	I192-F199 HydrophobicContact CB-CE2 4.13Å; I192-F199 HydrophobicContact CB-CZ 4.15Å; I192-F199 HydrophobicContact CG1-CE1 4.31Å; I192-F199 HydrophobicContact CG1-CE2 4.18Å; I192-F199 HydrophobicContact CG1-CZ 3.75Å; I192-F199 HydrophobicContact CG2-CD1 4.17Å; I192-F199 HydrophobicContact CG2-CD2 3.99Å; I192-F199 HydrophobicContact CG2-CE1 4.05Å; I192-F199 HydrophobicContact CG2-CE2 3.88Å; I192-F199 HydrophobicContact CG2-CG 4.15Å; I192-F199 HydrophobicContact CG2-CZ 3.91Å; H196-F199 PolarHBondContact O-N 3.04Å; H196-F199 VanDerWaalsContact O-N 3.13Å; T197-F199 VanDerWaalsContact C-N 3.3Å; F199-D201 PolarHBondContact O-N 2.97Å; F199-K202 VanDerWaalsContact O-CB 3.23Å; F199-K202 WeakPolarHBondContact O-CB 3.38Å; F199-K202 PolarHBondContact O-N 3.29Å; F199-V204 HydrophobicContact CD1-CG2 4.07Å; F199-A218 HydrophobicContact CD1-CB 4.05Å; F199-A218 HydrophobicContact CE1-CB 4.37Å; F199-A221 HydrophobicContact CB-CB 3.58Å; F199-A221 HydrophobicContact CD2-CB 4.34Å; F199-A221 HydrophobicContact CG-CB 4Å; F199-A223 VanDerWaalsContact O-CA 3.24Å; F199-A223 WeakPolarHBondContact O-CA 3.43Å; F199-I269 HydrophobicContact CD1-CG2 4.22Å; F199-I269 HydrophobicContact CE1-CD1 3.9Å; F199-I269 HydrophobicContact CE1-CG2 4.11Å; F199-I269 HydrophobicContact CE2-CD1 4.06Å; F199-I269 HydrophobicContact CZ-CD1 3.54Å; F199-I271 HydrophobicContact CE1-CG2 3.7Å; F199-I271 HydrophobicContact CZ-CG2 4Å; F199-F302 HydrophobicContact CE2-CD2 4.19Å; F199-F302 AromaticContact CE2-CE2 3.96Å; F199-F302 HydrophobicContact CE2-CE2 3.96Å; F199-F302 AromaticContact CZ-CD2 3.9Å; F199-F302 HydrophobicContact CZ-CD2 3.9Å; F199-F302 HydrophobicContact CZ-CE2 4.15Å; F199-F302 HydrophobicContact CZ-CG 4.44Å
200	K	98.8	Very high	98.7	Very high	117 Å²	117	37 Å²	37	51%	0.509	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	125.8	-174.8	-177.1	179.8	173.7	-175	0	111.5	H196 K202 G222	H196-K200 VanDerWaalsContact O-CB 3.28Å; H196-K200 WeakPolarHBondContact O-CB 3.29Å; H196-K200 PolarHBondContact O-N 2.81Å; K200-K202 WeakPolarHBondContact O-CG 3.45Å; K200-K202 PolarHBondContact O-N 3.02Å; K200-K202 VanDerWaalsContact O-N 3.12Å; K200-G222 WeakPolarHBondContact CA-O 3.3Å
201	D	98.7	Very high	98.6	Very high	106 Å²	106	32.3 Å²	32.3	57%	0.567	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	15.4	-177.7	-55.4	-51.9	0	0	0	114.2	F199 G222	F199-D201 PolarHBondContact O-N 2.97Å; D201-G222 PolarHBondContact N-O 2.8Å
202	K	98.8	Very high	98.6	Very high	77 Å²	77	32.4 Å²	32.4	34%	0.335	17%	0.171	S	C	.	.			trans	-94.3	163.6	179.6	-57.9	-50.5	-170.5	168.3	0	113.8	D198 F199 K200 R224 K225 D268	D198-K202 WeakPolarHBondContact O-CG 3.5Å; F199-K202 VanDerWaalsContact O-CB 3.23Å; F199-K202 WeakPolarHBondContact O-CB 3.38Å; F199-K202 PolarHBondContact O-N 3.29Å; K200-K202 WeakPolarHBondContact O-CG 3.45Å; K200-K202 PolarHBondContact O-N 3.02Å; K200-K202 VanDerWaalsContact O-N 3.12Å; K202-R224 WeakPolarHBondContact O-CB 3.14Å; K202-R224 PolarHBondContact O-N 2.95Å; K202-K225 PolarHBondContact O-N 3.06Å; K202-D268 HydrophobicContact CB-CB 3.97Å; K202-D268 HydrophobicContact CD-CB 4.08Å; K202-D268 HydrophobicContact CG-CB 4.23Å
203	V	98.9	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.7	167.7	-172.2	0	0	0	0	109.2	K225 Y227 E265 V267 D268 I269	V203-K225 CarbonylContact C-O 3.37Å; V203-K225 WeakPolarHBondContact CA-O 3.2Å; V203-K225 HydrophobicContact CG1-CB 4.47Å; V203-Y227 HydrophobicContact CG1-CD2 3.96Å; V203-Y227 HydrophobicContact CG1-CE2 3.59Å; V203-E265 HydrophobicContact CG1-CG 4.16Å; V203-V267 HydrophobicContact CB-CB 4.49Å; V203-V267 HydrophobicContact CG1-CB 4.15Å; V203-V267 HydrophobicContact CG1-CG1 3.75Å; V203-D268 PolarHBondContact N-OD2 3.12Å; V203-D268 PolarHBondContact O-N 2.8Å; V203-I269 PolarHBondContact O-N 2.89Å
204	V	98.9	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.3	-174.9	-175.2	0	0	0	0	110.1	F199 A218 A223 K225 V226 Y227 I269 I271	F199-V204 HydrophobicContact CD1-CG2 4.07Å; V204-A218 HydrophobicContact CG1-CB 4.19Å; V204-A218 HydrophobicContact CG2-CB 4.29Å; V204-A223 HydrophobicContact CG2-CB 3.81Å; V204-K225 PolarHBondContact N-O 2.82Å; V204-V226 HydrophobicContact CB-CB 4.41Å; V204-V226 HydrophobicContact CB-CG1 4.11Å; V204-V226 HydrophobicContact CB-CG2 4.16Å; V204-V226 HydrophobicContact CG1-CG1 4.23Å; V204-V226 HydrophobicContact CG2-CG2 4.46Å; V204-V226 CarbonylContact O-C 3.55Å; V204-V226 WeakPolarHBondContact O-CA 3.32Å; V204-Y227 PolarHBondContact O-N 3.49Å; V204-I269 WeakPolarHBondContact CA-O 3.1Å; V204-I269 HydrophobicContact CB-CG2 4.3Å; V204-I269 HydrophobicContact CG1-CG2 4.19Å; V204-I269 HydrophobicContact CG2-CG2 3.77Å; V204-I271 HydrophobicContact CG1-CD1 3.85Å; V204-I271 HydrophobicContact CG1-CG1 4.01Å; V204-I271 HydrophobicContact CG1-CG2 4.22Å
205	L	98.9	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.3	165.3	175.2	57.3	0	0	0	109.1	V207 Y227 V229 L263 V267 I269 I270 I271 A291 F294	L205-V207 HydrophobicContact CD1-CG2 4.4Å; L205-V207 HydrophobicContact CD2-CG2 3.96Å; L205-V207 HydrophobicContact CG-CG2 3.74Å; L205-Y227 WeakPolarHBondContact CA-O 3.46Å; L205-Y227 WeakPolarHBondContact CD1-O 3.45Å; L205-V229 HydrophobicContact CD1-CG2 3.66Å; L205-L263 HydrophobicContact CD1-CD1 3.88Å; L205-L263 HydrophobicContact CD2-CD1 4.03Å; L205-L263 HydrophobicContact CG-CD1 4.42Å; L205-V267 HydrophobicContact CB-CB 4.28Å; L205-V267 HydrophobicContact CB-CG1 3.89Å; L205-V267 HydrophobicContact CB-CG2 3.83Å; L205-I269 PolarHBondContact N-O 3.25Å; L205-I270 HydrophobicContact CB-CG1 4.42Å; L205-I270 HydrophobicContact CB-CG2 4.33Å; L205-I270 HydrophobicContact CD2-CD1 4.37Å; L205-I270 HydrophobicContact CD2-CG1 4.46Å; L205-I270 HydrophobicContact CD2-CG2 4.34Å; L205-I270 HydrophobicContact CG-CG2 4.26Å; L205-I270 CarbonylContact O-C 3.58Å; L205-I270 WeakPolarHBondContact O-CA 3.48Å; L205-I271 PolarHBondContact O-N 3.27Å; L205-A291 HydrophobicContact CD2-CB 3.99Å; L205-F294 HydrophobicContact CD2-CB 4.16Å; L205-F294 HydrophobicContact CD2-CD2 3.83Å; L205-F294 HydrophobicContact CD2-CG 4.42Å
206	D	98.9	Very high	98.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.6	172.9	-171.9	3.9	0	0	0	108.4	C209 S215 V226 Y227 V229 I271	D206-C209 HydrophobicContact CB-CB 4.13Å; D206-C209 VanDerWaalsContact CG-CB 3.48Å; D206-C209 VanDerWaalsContact OD2-CB 3.32Å; D206-C209 WeakPolarHBondContact OD2-CB 3.31Å; D206-S215 VanDerWaalsContact CB-OG 3.22Å; D206-S215 WeakPolarHBondContact CB-OG 3.23Å; D206-S215 WeakPolarHBondContact OD2-CB 3.17Å; D206-S215 PolarHBondContact OD2-N 3.03Å; D206-S215 PolarHBondContact OD2-OG 2.54Å; D206-V226 HydrophobicContact CB-CG1 4.38Å; D206-Y227 PolarHBondContact N-O 3.39Å; D206-V229 PolarHBondContact O-N 2.78Å; D206-I271 WeakPolarHBondContact CA-O 3.32Å; D206-I271 HydrophobicContact CB-CD1 4.06Å; D206-I271 HydrophobicContact CB-CG1 3.77Å
207	V	98.8	Very high	98.6	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.1	-171.1	-176.6	0	0	0	0	110.2	L205 V258 I270 I271 S272 M284 A291	L205-V207 HydrophobicContact CD1-CG2 4.4Å; L205-V207 HydrophobicContact CD2-CG2 3.96Å; L205-V207 HydrophobicContact CG-CG2 3.74Å; V207-V258 HydrophobicContact CG1-CB 4.12Å; V207-V258 HydrophobicContact CG1-CG1 3.96Å; V207-V258 HydrophobicContact CG1-CG2 4.29Å; V207-V258 HydrophobicContact CG2-CG2 4.41Å; V207-I270 HydrophobicContact CG2-CG2 3.54Å; V207-I271 PolarHBondContact N-O 3.09Å; V207-S272 PolarHBondContact O-OG 3.34Å; V207-M284 WeakPolarHBondContact O-CE 3.27Å; V207-A291 HydrophobicContact CG2-CB 3.65Å
208	G	97.9	Very high	98.7	Very high	31 Å²	31	22 Å²	22	32%	0.32	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	52.7	-172.2	0	0	0	0	0	110.3	G210 V229	G208-G210 PolarHBondContact O-N 2.68Å; G208-G210 VanDerWaalsContact O-N 3.07Å; G208-V229 VanDerWaalsContact CA-O 3.29Å; G208-V229 WeakPolarHBondContact CA-O 3.32Å; G208-V229 PolarHBondContact N-O 2.83Å
209	C	98.1	Very high	98.7	Very high	8 Å²	8	21.6 Å²	21.6	5%	0.054	12%	0.116	C	C	.	.			trans	-65.3	-15.3	-167.5	74.5	0	0	0	0	113.8	D206 S211 G212 A228 V229 E230	D206-C209 HydrophobicContact CB-CB 4.13Å; D206-C209 VanDerWaalsContact CG-CB 3.48Å; D206-C209 VanDerWaalsContact OD2-CB 3.32Å; D206-C209 WeakPolarHBondContact OD2-CB 3.31Å; C209-S211 PolarHBondContact O-N 2.81Å; C209-G212 WeakPolarHBondContact O-CA 3.21Å; C209-G212 PolarHBondContact O-N 2.67Å; C209-A228 HydrophobicContact CB-CB 3.99Å; C209-V229 PolarHBondContact N-O 3.19Å; C209-E230 PolarHBondContact N-OE2 2.88Å
210	G	98.1	Very high	98.6	Very high	5 Å²	5	26.9 Å²	26.9	5%	0.052	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-120.5	-177.8	0	0	0	0	0	110.9	G208 G212 E230 M234	G208-G210 PolarHBondContact O-N 2.68Å; G208-G210 VanDerWaalsContact O-N 3.07Å; G210-G212 PolarHBondContact O-N 3.46Å; G210-E230 WeakPolarHBondContact CA-OE2 3.48Å; G210-E230 PolarHBondContact N-OE2 3.27Å; G210-M234 WeakPolarHBondContact O-CG 3.23Å
211	S	97.8	Very high	98.6	Very high	7 Å²	7	21.7 Å²	21.7	5%	0.049	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.4	173.3	62.7	0	0	0	0	115.2	M179 C209 L241	M179-S211 PolarHBondContact SD-OG 3.42Å; C209-S211 PolarHBondContact O-N 2.81Å; S211-L241 WeakPolarHBondContact O-CD1 3.16Å
212	G	98.4	Very high	98.6	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	10%	0.102	C	C	.	.	S	Bend	trans	85.5	10.1	-175.3	0	0	0	0	0	114.4	C209 G210 L214 S215 F216	C209-G212 WeakPolarHBondContact O-CA 3.21Å; C209-G212 PolarHBondContact O-N 2.67Å; G210-G212 PolarHBondContact O-N 3.46Å; G212-L214 VanDerWaalsContact C-N 3.3Å; G212-L214 PolarHBondContact O-N 2.95Å; G212-S215 WeakPolarHBondContact O-CA 3.38Å; G212-S215 VanDerWaalsContact O-CB 3.31Å; G212-S215 WeakPolarHBondContact O-CB 3.46Å; G212-S215 PolarHBondContact O-N 3.09Å; G212-S215 VanDerWaalsContact O-N 3.09Å; G212-F216 WeakPolarHBondContact O-CD2 3.42Å; G212-F216 PolarHBondContact O-N 3.41Å
213	I	98.8	Very high	98.6	Very high	41 Å²	41	13.9 Å²	13.9	21%	0.21	9%	0.086	C	C	.	.	H	α-helix	trans	-55.5	-39.1	-172.7	-170.3	57.4	0	0	0	113.8	M179 T185 F216 F217	M179-I213 HydrophobicContact CE-CB 4.44Å; M179-I213 HydrophobicContact CE-CD1 4.13Å; M179-I213 HydrophobicContact CE-CG1 4.27Å; T185-I213 HydrophobicContact CG2-CG1 4.23Å; I213-F216 PolarHBondContact O-N 2.94Å; I213-F217 HydrophobicContact CD1-CE1 3.87Å; I213-F217 HydrophobicContact CD1-CE2 4.45Å; I213-F217 HydrophobicContact CD1-CZ 3.71Å; I213-F217 HydrophobicContact CG1-CE1 4.28Å; I213-F217 HydrophobicContact CG1-CE2 3.95Å; I213-F217 HydrophobicContact CG1-CZ 3.66Å; I213-F217 WeakPolarHBondContact O-CG 3.19Å; I213-F217 PolarHBondContact O-N 2.93Å
214	L	98.8	Very high	98.6	Very high	14 Å²	14	19.9 Å²	19.9	7%	0.073	11%	0.109	C	C	.	.	H	α-helix	trans	-72.6	-39.2	178	-57.3	-173.3	0	0	0	111.9	Y188 G212 F216 F217 A218 I271 E273	Y188-L214 HydrophobicContact CD1-CD1 3.89Å; Y188-L214 HydrophobicContact CD1-CD2 3.52Å; Y188-L214 HydrophobicContact CD1-CG 4.37Å; Y188-L214 HydrophobicContact CE1-CD1 3.83Å; Y188-L214 HydrophobicContact CE1-CD2 4.3Å; Y188-L214 HydrophobicContact CG-CD2 3.76Å; G212-L214 VanDerWaalsContact C-N 3.3Å; G212-L214 PolarHBondContact O-N 2.95Å; L214-F216 VanDerWaalsContact C-N 3.28Å; L214-F216 PolarHBondContact O-N 2.83Å; L214-F217 HydrophobicContact CD2-CD2 3.97Å; L214-F217 HydrophobicContact CD2-CE2 4.19Å; L214-F217 WeakPolarHBondContact O-CB 3.47Å; L214-F217 PolarHBondContact O-N 2.72Å; L214-A218 PolarHBondContact O-N 3.15Å; L214-I271 HydrophobicContact CB-CD1 3.79Å; L214-I271 HydrophobicContact CB-CG1 4.37Å; L214-E273 HydrophobicContact CD1-CB 4.27Å
215	S	98.9	Very high	98.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-38.1	170	-69.3	0	0	0	0	113	D206 G212 A218 A219 V226 A228	D206-S215 VanDerWaalsContact CB-OG 3.22Å; D206-S215 WeakPolarHBondContact CB-OG 3.23Å; D206-S215 WeakPolarHBondContact OD2-CB 3.17Å; D206-S215 PolarHBondContact OD2-N 3.03Å; D206-S215 PolarHBondContact OD2-OG 2.54Å; G212-S215 WeakPolarHBondContact O-CA 3.38Å; G212-S215 VanDerWaalsContact O-CB 3.31Å; G212-S215 WeakPolarHBondContact O-CB 3.46Å; G212-S215 PolarHBondContact O-N 3.09Å; G212-S215 VanDerWaalsContact O-N 3.09Å; S215-A218 PolarHBondContact O-N 3.26Å; S215-A219 WeakPolarHBondContact O-CB 3.28Å; S215-A219 PolarHBondContact O-N 2.9Å; S215-V226 WeakPolarHBondContact OG-CG1 3.37Å; S215-A228 WeakPolarHBondContact OG-CB 3.44Å
216	F	98.8	Very high	98.6	Very high	22 Å²	22	22.1 Å²	22.1	10%	0.096	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-39.8	172.9	-69	-67.4	0	0	0	112.3	G212 I213 L214 A219 Q220 L241 V242 N245 L247	G212-F216 WeakPolarHBondContact O-CD2 3.42Å; G212-F216 PolarHBondContact O-N 3.41Å; I213-F216 PolarHBondContact O-N 2.94Å; L214-F216 VanDerWaalsContact C-N 3.28Å; L214-F216 PolarHBondContact O-N 2.83Å; F216-A219 PolarHBondContact O-N 2.93Å; F216-Q220 VanDerWaalsContact O-CG 3.27Å; F216-Q220 WeakPolarHBondContact O-CG 3.27Å; F216-Q220 PolarHBondContact O-N 2.95Å; F216-L241 HydrophobicContact CE2-CB 3.95Å; F216-L241 HydrophobicContact CZ-CB 3.7Å; F216-V242 HydrophobicContact CE1-CG2 4.38Å; F216-V242 HydrophobicContact CZ-CG2 3.99Å; F216-N245 HydrophobicContact CE1-CB 3.94Å; F216-L247 HydrophobicContact CD1-CD1 3.55Å; F216-L247 HydrophobicContact CE1-CD1 3.8Å
217	F	98.9	Very high	98.6	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.039	12%	0.121	C	C	.	.	H	α-helix	trans	-66.4	-39.2	175.2	-58.1	-26.3	0	0	0	112.3	T185 Q189 I192 I213 L214 A219 Q220 A221	T185-F217 HydrophobicContact CG2-CE2 4.08Å; T185-F217 HydrophobicContact CG2-CZ 3.82Å; Q189-F217 HydrophobicContact CB-CD1 4.19Å; Q189-F217 HydrophobicContact CB-CD2 3.87Å; Q189-F217 HydrophobicContact CB-CE1 4.03Å; Q189-F217 HydrophobicContact CB-CE2 3.7Å; Q189-F217 HydrophobicContact CB-CG 4.12Å; Q189-F217 HydrophobicContact CB-CZ 3.79Å; Q189-F217 HydrophobicContact CG-CD1 3.69Å; Q189-F217 HydrophobicContact CG-CD2 4.23Å; Q189-F217 HydrophobicContact CG-CE1 3.75Å; Q189-F217 HydrophobicContact CG-CE2 4.29Å; Q189-F217 HydrophobicContact CG-CG 3.95Å; Q189-F217 HydrophobicContact CG-CZ 4.06Å; I192-F217 HydrophobicContact CB-CB 4.38Å; I192-F217 HydrophobicContact CD1-CB 3.8Å; I192-F217 HydrophobicContact CD1-CD2 4.33Å; I192-F217 HydrophobicContact CG2-CB 4.1Å; I192-F217 WeakPolarHBondContact CG2-O 3.37Å; I213-F217 HydrophobicContact CD1-CE1 3.87Å; I213-F217 HydrophobicContact CD1-CE2 4.45Å; I213-F217 HydrophobicContact CD1-CZ 3.71Å; I213-F217 HydrophobicContact CG1-CE1 4.28Å; I213-F217 HydrophobicContact CG1-CE2 3.95Å; I213-F217 HydrophobicContact CG1-CZ 3.66Å; I213-F217 WeakPolarHBondContact O-CG 3.19Å; I213-F217 PolarHBondContact O-N 2.93Å; L214-F217 HydrophobicContact CD2-CD2 3.97Å; L214-F217 HydrophobicContact CD2-CE2 4.19Å; L214-F217 WeakPolarHBondContact O-CB 3.47Å; L214-F217 PolarHBondContact O-N 2.72Å; F217-A219 VanDerWaalsContact C-N 3.35Å; F217-A219 PolarHBondContact O-N 3.13Å; F217-Q220 WeakPolarHBondContact O-CB 3.33Å; F217-Q220 PolarHBondContact O-N 3.28Å; F217-A221 PolarHBondContact O-N 3.03Å
218	A	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-41.7	173.1	0	0	0	0	0	111.9	F199 V204 L214 S215 A221 G222 A223 V226 I271	F199-A218 HydrophobicContact CD1-CB 4.05Å; F199-A218 HydrophobicContact CE1-CB 4.37Å; V204-A218 HydrophobicContact CG1-CB 4.19Å; V204-A218 HydrophobicContact CG2-CB 4.29Å; L214-A218 PolarHBondContact O-N 3.15Å; S215-A218 PolarHBondContact O-N 3.26Å; A218-A221 PolarHBondContact O-N 3.08Å; A218-G222 PolarHBondContact O-N 3.12Å; A218-A223 HydrophobicContact CB-CB 4.32Å; A218-A223 WeakPolarHBondContact O-CB 3.47Å; A218-A223 PolarHBondContact O-N 2.96Å; A218-V226 HydrophobicContact CB-CG2 4.06Å; A218-I271 HydrophobicContact CB-CD1 4.08Å
219	A	98.7	Very high	98.6	Very high	8 Å²	8	21.2 Å²	21.2	7%	0.066	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-38.9	174.1	0	0	0	0	0	112.6	S215 F216 F217 G222 L247 V251	S215-A219 WeakPolarHBondContact O-CB 3.28Å; S215-A219 PolarHBondContact O-N 2.9Å; F216-A219 PolarHBondContact O-N 2.93Å; F217-A219 VanDerWaalsContact C-N 3.35Å; F217-A219 PolarHBondContact O-N 3.13Å; A219-G222 PolarHBondContact O-N 3.13Å; A219-G222 VanDerWaalsContact O-N 3.11Å; A219-L247 HydrophobicContact CB-CD1 4.11Å; A219-L247 HydrophobicContact CB-CD2 4.19Å; A219-V251 HydrophobicContact CB-CG2 4.35Å
220	Q	98.7	Very high	98.6	Very high	111 Å²	111	21.5 Å²	21.5	52%	0.519	11%	0.106	S	C	.	.	H	α-helix	trans	-62.6	-38.8	173.1	-72.1	166.9	12.7	0	0	112.2	Q189 L193 F216 F217 G222	Q189-Q220 VanDerWaalsContact NE2-OE1 3.13Å; L193-Q220 HydrophobicContact CD2-CB 3.83Å; F216-Q220 VanDerWaalsContact O-CG 3.27Å; F216-Q220 WeakPolarHBondContact O-CG 3.27Å; F216-Q220 PolarHBondContact O-N 2.95Å; F217-Q220 WeakPolarHBondContact O-CB 3.33Å; F217-Q220 PolarHBondContact O-N 3.28Å; Q220-G222 PolarHBondContact O-N 2.96Å
221	A	98.8	Very high	98.3	Very high	8 Å²	8	23 Å²	23	7%	0.066	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.2	174.1	0	0	0	0	0	114	I192 L193 H196 F199 F217 A218	I192-A221 HydrophobicContact CG2-CB 3.84Å; L193-A221 HydrophobicContact CD2-CB 4.14Å; H196-A221 HydrophobicContact CB-CB 4.26Å; F199-A221 HydrophobicContact CB-CB 3.58Å; F199-A221 HydrophobicContact CD2-CB 4.34Å; F199-A221 HydrophobicContact CG-CB 4Å; F217-A221 PolarHBondContact O-N 3.03Å; A218-A221 PolarHBondContact O-N 3.08Å
222	G	98.6	Very high	98	Very high	20 Å²	20	23.1 Å²	23.1	21%	0.206	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	22.7	175.2	0	0	0	0	0	115.1	K200 D201 A218 A219 Q220 R224	K200-G222 WeakPolarHBondContact CA-O 3.3Å; D201-G222 PolarHBondContact N-O 2.8Å; A218-G222 PolarHBondContact O-N 3.12Å; A219-G222 PolarHBondContact O-N 3.13Å; A219-G222 VanDerWaalsContact O-N 3.11Å; Q220-G222 PolarHBondContact O-N 2.96Å; G222-R224 PolarHBondContact O-N 2.71Å
223	A	98.8	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.			trans	-53.3	135.9	173.2	0	0	0	0	0	112.4	F199 V204 A218 V226	F199-A223 VanDerWaalsContact O-CA 3.24Å; F199-A223 WeakPolarHBondContact O-CA 3.43Å; V204-A223 HydrophobicContact CG2-CB 3.81Å; A218-A223 HydrophobicContact CB-CB 4.32Å; A218-A223 WeakPolarHBondContact O-CB 3.47Å; A218-A223 PolarHBondContact O-N 2.96Å; A223-V226 HydrophobicContact CB-CG2 3.77Å
224	R	98.6	Very high	97.4	Very high	125 Å²	125	25.2 Å²	25.2	47%	0.472	13%	0.133	S	C	.	.	S	Bend	trans	-69.7	-44.6	175.5	-174.8	-173.7	81.5	-176	10.4	110.5	K202 G222 E265	K202-R224 WeakPolarHBondContact O-CB 3.14Å; K202-R224 PolarHBondContact O-N 2.95Å; G222-R224 PolarHBondContact O-N 2.71Å; R224-E265 VanDerWaalsContact NH2-CD 3.28Å; R224-E265 IonicContact NH2-OE1 3.39Å; R224-E265 PolarHBondContact NH2-OE1 2.62Å; R224-E265 IonicContact NH2-OE2 2.93Å; R224-E265 PolarHBondContact NH2-OE2 2.91Å
225	K	98.8	Very high	97.1	Very high	48 Å²	48	24.8 Å²	24.8	21%	0.209	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	138.7	-177.2	-163.7	56.3	139.6	176.9	0	109.7	K202 V203 V204 Y227 E249 R250 V252	K202-K225 PolarHBondContact O-N 3.06Å; V203-K225 CarbonylContact C-O 3.37Å; V203-K225 WeakPolarHBondContact CA-O 3.2Å; V203-K225 HydrophobicContact CG1-CB 4.47Å; V204-K225 PolarHBondContact N-O 2.82Å; K225-Y227 HydrophobicContact CG-CE1 4.17Å; K225-Y227 HydrophobicContact CG-CE2 4.04Å; K225-E249 PolarHBondContact NZ-O 2.97Å; K225-R250 CarbonylContact C-O 3.48Å; K225-R250 VanDerWaalsContact CA-O 3.31Å; K225-R250 WeakPolarHBondContact CA-O 3.39Å; K225-R250 VanDerWaalsContact CD-O 3.23Å; K225-R250 WeakPolarHBondContact CD-O 3.41Å; K225-V252 HydrophobicContact CD-CG2 4.17Å; K225-V252 VanDerWaalsContact NZ-CG2 3.31Å
226	V	98.9	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.1	175.3	-170.7	0	0	0	0	108.1	V204 D206 S215 A218 A223 R250 V251 V252	V204-V226 HydrophobicContact CB-CB 4.41Å; V204-V226 HydrophobicContact CB-CG1 4.11Å; V204-V226 HydrophobicContact CB-CG2 4.16Å; V204-V226 HydrophobicContact CG1-CG1 4.23Å; V204-V226 HydrophobicContact CG2-CG2 4.46Å; V204-V226 CarbonylContact O-C 3.55Å; V204-V226 WeakPolarHBondContact O-CA 3.32Å; D206-V226 HydrophobicContact CB-CG1 4.38Å; S215-V226 WeakPolarHBondContact OG-CG1 3.37Å; A218-V226 HydrophobicContact CB-CG2 4.06Å; A223-V226 HydrophobicContact CB-CG2 3.77Å; V226-R250 PolarHBondContact N-O 2.67Å; V226-V251 HydrophobicContact CB-CG1 4.43Å; V226-V251 HydrophobicContact CB-CG2 4.22Å; V226-V251 HydrophobicContact CG2-CG2 4.36Å; V226-V251 WeakPolarHBondContact O-CA 3.32Å; V226-V252 PolarHBondContact O-N 3.01Å
227	Y	98.9	Very high	96.7	Very high	14 Å²	14	33.9 Å²	33.9	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.5	170.2	-62.1	-67.1	0	0	0	108	V203 V204 L205 D206 K225 V252 I254 L263 P264 E265 V267	V203-Y227 HydrophobicContact CG1-CD2 3.96Å; V203-Y227 HydrophobicContact CG1-CE2 3.59Å; V204-Y227 PolarHBondContact O-N 3.49Å; L205-Y227 WeakPolarHBondContact CA-O 3.46Å; L205-Y227 WeakPolarHBondContact CD1-O 3.45Å; D206-Y227 PolarHBondContact N-O 3.39Å; K225-Y227 HydrophobicContact CG-CE1 4.17Å; K225-Y227 HydrophobicContact CG-CE2 4.04Å; Y227-V252 HydrophobicContact CD1-CB 4.16Å; Y227-V252 HydrophobicContact CE1-CB 4.45Å; Y227-I254 HydrophobicContact CD1-CD1 3.93Å; Y227-I254 HydrophobicContact CG-CD1 4.43Å; Y227-L263 HydrophobicContact CD1-CD2 4.48Å; Y227-L263 HydrophobicContact CG-CD2 4.11Å; Y227-P264 HydrophobicContact CE1-CG 3.81Å; Y227-P264 HydrophobicContact CE2-CG 4.45Å; Y227-P264 VanDerWaalsContact OH-CG 3.28Å; Y227-P264 WeakPolarHBondContact OH-CG 3.44Å; Y227-E265 HydrophobicContact CE2-CG 3.99Å; Y227-E265 PolarHBondContact OH-OE1 2.78Å; Y227-V267 HydrophobicContact CD2-CG1 4.21Å
228	A	98.8	Very high	96.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	100	-173.8	0	0	0	0	0	109.3	C209 S215 V251 V252 V253 I254	C209-A228 HydrophobicContact CB-CB 3.99Å; S215-A228 WeakPolarHBondContact OG-CB 3.44Å; A228-V251 HydrophobicContact CB-CG1 4.17Å; A228-V252 PolarHBondContact N-O 3.06Å; A228-V253 HydrophobicContact CB-CG2 4.46Å; A228-V253 CarbonylContact O-C 3.59Å; A228-V253 WeakPolarHBondContact O-CA 3.42Å; A228-I254 PolarHBondContact O-N 3.17Å
229	V	98.6	Very high	96.5	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.4	-174.3	179.4	0	0	0	0	109.6	L205 D206 G208 C209 I254 G256 V258 V261	L205-V229 HydrophobicContact CD1-CG2 3.66Å; D206-V229 PolarHBondContact O-N 2.78Å; G208-V229 VanDerWaalsContact CA-O 3.29Å; G208-V229 WeakPolarHBondContact CA-O 3.32Å; G208-V229 PolarHBondContact N-O 2.83Å; C209-V229 PolarHBondContact N-O 3.19Å; V229-I254 WeakPolarHBondContact CA-O 3.41Å; V229-I254 HydrophobicContact CG2-CB 4.26Å; V229-G256 WeakPolarHBondContact CG1-O 3.38Å; V229-V258 HydrophobicContact CG1-CB 4.26Å; V229-V261 HydrophobicContact CG1-CG2 4.07Å; V229-V261 HydrophobicContact CG2-CG2 4.17Å
230	E	97.2	Very high	96.5	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.061	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.9	179.3	175.8	50.4	-125.8	0	0	110.8	C209 G210 S232 M234 A235 I254 P255 G256	C209-E230 PolarHBondContact N-OE2 2.88Å; G210-E230 WeakPolarHBondContact CA-OE2 3.48Å; G210-E230 PolarHBondContact N-OE2 3.27Å; E230-S232 VanDerWaalsContact OE1-CB 3.23Å; E230-S232 WeakPolarHBondContact OE1-CB 3.42Å; E230-S232 PolarHBondContact OE1-N 2.88Å; E230-S232 PolarHBondContact OE1-OG 3.39Å; E230-M234 HydrophobicContact CG-CB 4.2Å; E230-A235 HydrophobicContact CB-CB 3.92Å; E230-A235 HydrophobicContact CG-CB 3.97Å; E230-I254 PolarHBondContact N-O 3.24Å; E230-P255 CarbonylContact O-C 3.5Å; E230-P255 VanDerWaalsContact O-CA 3.31Å; E230-P255 WeakPolarHBondContact O-CA 3.38Å; E230-G256 CarbonylContact C-O 3.6Å; E230-G256 PolarHBondContact O-N 3.31Å
231	A	92.6	Very high	96.5	Very high	37 Å²	37	38.8 Å²	38.8	31%	0.306	20%	0.204	S	C	.	.			trans	-94.4	-22.5	-172.6	0	0	0	0	0	113.8	F166 G256 K257	F166-A231 HydrophobicContact CD1-CB 3.76Å; F166-A231 HydrophobicContact CE1-CB 3.4Å; F166-A231 HydrophobicContact CG-CB 4.5Å; F166-A231 HydrophobicContact CZ-CB 3.84Å; A231-G256 WeakPolarHBondContact CA-O 3.46Å; A231-G256 PolarHBondContact N-O 2.57Å; A231-K257 HydrophobicContact CB-CG 4Å
232	S	91.6	Very high	96.4	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.063	20%	0.201	C	C	.	.	S	Bend	trans	-82.5	173.9	175.4	71.7	0	0	0	0	112.3	F166 E230 M234 A235	F166-S232 WeakPolarHBondContact O-CB 3.49Å; E230-S232 VanDerWaalsContact OE1-CB 3.23Å; E230-S232 WeakPolarHBondContact OE1-CB 3.42Å; E230-S232 PolarHBondContact OE1-N 2.88Å; E230-S232 PolarHBondContact OE1-OG 3.39Å; S232-M234 PolarHBondContact O-N 3.01Å; S232-M234 VanDerWaalsContact O-N 3.08Å; S232-M234 VanDerWaalsContact OG-CB 3.23Å; S232-M234 WeakPolarHBondContact OG-CB 3.4Å; S232-M234 PolarHBondContact OG-N 2.87Å; S232-A235 PolarHBondContact O-N 3.15Å
233	T	89.1	Confident	96.4	Very high	87 Å²	87	41.2 Å²	41.2	53%	0.534	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.7	171.4	50.3	0	0	0	0	113.5	A235 Q236	T233-A235 PolarHBondContact O-N 3.5Å; T233-Q236 WeakPolarHBondContact O-CB 3.4Å; T233-Q236 PolarHBondContact O-N 2.99Å; T233-Q236 VanDerWaalsContact O-N 3.09Å
234	M	95.3	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-24.5	176.9	-165.2	56.3	49.9	0	0	113	G170 L172 Q175 G210 E230 S232 Q236 H237 A238	G170-M234 VanDerWaalsContact C-CE 3.48Å; G170-M234 WeakPolarHBondContact O-CE 3.47Å; L172-M234 HydrophobicContact CD2-CE 3.98Å; L172-M234 HydrophobicContact CD2-SD 3.76Å; L172-M234 HydrophobicContact CG-CE 4.19Å; Q175-M234 HydrophobicContact CG-CE 3.59Å; Q175-M234 HydrophobicContact CG-CG 3.93Å; Q175-M234 HydrophobicContact CG-SD 3.73Å; G210-M234 WeakPolarHBondContact O-CG 3.23Å; E230-M234 HydrophobicContact CG-CB 4.2Å; S232-M234 PolarHBondContact O-N 3.01Å; S232-M234 VanDerWaalsContact O-N 3.08Å; S232-M234 VanDerWaalsContact OG-CB 3.23Å; S232-M234 WeakPolarHBondContact OG-CB 3.4Å; S232-M234 PolarHBondContact OG-N 2.87Å; M234-Q236 PolarHBondContact O-N 3.21Å; M234-Q236 VanDerWaalsContact O-N 3.12Å; M234-H237 WeakPolarHBondContact O-CA 3.46Å; M234-H237 WeakPolarHBondContact O-CB 3.44Å; M234-H237 PolarHBondContact O-N 3.41Å; M234-H237 HydrophobicContact SD-CB 3.72Å; M234-A238 PolarHBondContact O-N 2.95Å
235	A	92.6	Very high	96.3	Very high	6 Å²	6	43.6 Å²	43.6	5%	0.05	24%	0.239	C	C	.	.	H	α-helix	trans	-51.3	-35.6	172.5	0	0	0	0	0	112.7	E230 S232 T233 A238 E239 V253 P255	E230-A235 HydrophobicContact CB-CB 3.92Å; E230-A235 HydrophobicContact CG-CB 3.97Å; S232-A235 PolarHBondContact O-N 3.15Å; T233-A235 PolarHBondContact O-N 3.5Å; A235-A238 PolarHBondContact O-N 3.47Å; A235-E239 WeakPolarHBondContact O-CB 3.47Å; A235-E239 PolarHBondContact O-N 2.97Å; A235-V253 HydrophobicContact CB-CG1 4.02Å; A235-P255 HydrophobicContact CB-CB 4.07Å
236	Q	92.8	Very high	96.3	Very high	137 Å²	137	52 Å²	52	64%	0.64	27%	0.27	S	S	*	.	H	α-helix	trans	-67.6	-36.9	177.3	-59.3	179.4	5.9	0	0	112	T233 M234 V240	T233-Q236 WeakPolarHBondContact O-CB 3.4Å; T233-Q236 PolarHBondContact O-N 2.99Å; T233-Q236 VanDerWaalsContact O-N 3.09Å; M234-Q236 PolarHBondContact O-N 3.21Å; M234-Q236 VanDerWaalsContact O-N 3.12Å; Q236-V240 WeakPolarHBondContact O-CG2 3.5Å; Q236-V240 PolarHBondContact O-N 3.45Å
237	H	95.2	Very high	96.2	Very high	76 Å²	76	53.9 Å²	53.9	35%	0.352	28%	0.28	S	S	.	.	H	α-helix	trans	-74.4	-36.8	175.9	-64	-49.2	0	0	0	111.9	L172 M234 E239 V240 L241	L172-H237 HydrophobicContact CD2-CB 4.32Å; M234-H237 WeakPolarHBondContact O-CA 3.46Å; M234-H237 WeakPolarHBondContact O-CB 3.44Å; M234-H237 PolarHBondContact O-N 3.41Å; M234-H237 HydrophobicContact SD-CB 3.72Å; H237-E239 VanDerWaalsContact C-N 3.34Å; H237-V240 PolarHBondContact O-N 3.12Å; H237-L241 WeakPolarHBondContact O-CG 3.44Å; H237-L241 PolarHBondContact O-N 3.41Å
238	A	97.8	Very high	96.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-44.8	171.4	0	0	0	0	0	111.4	M234 A235 V240 L241 V242 V253	M234-A238 PolarHBondContact O-N 2.95Å; A235-A238 PolarHBondContact O-N 3.47Å; A238-V240 PolarHBondContact O-N 2.83Å; A238-L241 PolarHBondContact O-N 3.26Å; A238-L241 VanDerWaalsContact O-N 3.11Å; A238-V242 WeakPolarHBondContact O-CG2 3.26Å; A238-V242 PolarHBondContact O-N 3.15Å; A238-V253 HydrophobicContact CB-CG1 4.33Å; A238-V253 HydrophobicContact CB-CG2 4.13Å
239	E	96.8	Very high	96	Very high	70 Å²	70	64 Å²	64	33%	0.327	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-40.4	176.7	-174.7	59	-147.2	0	0	111.9	A235 H237 L241 V242 N243 V253	A235-E239 WeakPolarHBondContact O-CB 3.47Å; A235-E239 PolarHBondContact O-N 2.97Å; H237-E239 VanDerWaalsContact C-N 3.34Å; E239-L241 VanDerWaalsContact C-N 3.35Å; E239-L241 PolarHBondContact O-N 3.34Å; E239-V242 PolarHBondContact O-N 3Å; E239-N243 PolarHBondContact O-N 2.84Å; E239-N243 PolarHBondContact O-ND2 2.85Å; E239-N243 PolarHBondContact OE1-ND2 2.83Å; E239-V253 HydrophobicContact CB-CB 4.46Å; E239-V253 HydrophobicContact CB-CG2 4.3Å; E239-V253 WeakPolarHBondContact OE2-CB 3.36Å; E239-V253 WeakPolarHBondContact OE2-CG2 3.46Å
240	V	97.5	Very high	95.9	Very high	95 Å²	95	69.4 Å²	69.4	58%	0.576	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-40.5	172.6	170.2	0	0	0	0	111.8	Q236 H237 A238 S244	Q236-V240 WeakPolarHBondContact O-CG2 3.5Å; Q236-V240 PolarHBondContact O-N 3.45Å; H237-V240 PolarHBondContact O-N 3.12Å; A238-V240 PolarHBondContact O-N 2.83Å; V240-S244 WeakPolarHBondContact O-CB 3.36Å; V240-S244 PolarHBondContact O-N 2.92Å; V240-S244 PolarHBondContact O-OG 2.87Å
241	L	98.4	Very high	96	Very high	66 Å²	66	69 Å²	69	35%	0.346	35%	0.351	S	S	.	.	H	α-helix	trans	-67.8	-40.9	176.2	-71	172.5	0	0	0	112.1	S211 F216 H237 A238 E239 S244 N245	S211-L241 WeakPolarHBondContact O-CD1 3.16Å; F216-L241 HydrophobicContact CE2-CB 3.95Å; F216-L241 HydrophobicContact CZ-CB 3.7Å; H237-L241 WeakPolarHBondContact O-CG 3.44Å; H237-L241 PolarHBondContact O-N 3.41Å; A238-L241 PolarHBondContact O-N 3.26Å; A238-L241 VanDerWaalsContact O-N 3.11Å; E239-L241 VanDerWaalsContact C-N 3.35Å; E239-L241 PolarHBondContact O-N 3.34Å; L241-S244 WeakPolarHBondContact CA-OG 3.46Å; L241-S244 PolarHBondContact O-OG 2.88Å; L241-S244 VanDerWaalsContact O-OG 3.11Å; L241-N245 WeakPolarHBondContact O-CB 3.33Å; L241-N245 PolarHBondContact O-N 2.8Å; L241-N245 PolarHBondContact O-ND2 2.93Å
242	V	98.2	Very high	96.2	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-46.3	177.5	167	0	0	0	0	111	F216 A238 E239 R246 L247 V251 V253	F216-V242 HydrophobicContact CE1-CG2 4.38Å; F216-V242 HydrophobicContact CZ-CG2 3.99Å; A238-V242 WeakPolarHBondContact O-CG2 3.26Å; A238-V242 PolarHBondContact O-N 3.15Å; E239-V242 PolarHBondContact O-N 3Å; V242-R246 PolarHBondContact O-N 2.81Å; V242-L247 HydrophobicContact CG1-CB 4.42Å; V242-L247 PolarHBondContact O-N 3.21Å; V242-V251 HydrophobicContact CG1-CB 4.02Å; V242-V251 HydrophobicContact CG2-CB 3.93Å; V242-V251 HydrophobicContact CG2-CG1 3.63Å; V242-V253 HydrophobicContact CG2-CG2 4.08Å
243	N	97.8	Very high	96.5	Very high	79 Å²	79	69.9 Å²	69.9	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-68	-44.8	179.3	-74.2	-62.6	0	0	0	112.5	E239 N245 R246 S248	E239-N243 PolarHBondContact O-N 2.84Å; E239-N243 PolarHBondContact O-ND2 2.85Å; E239-N243 PolarHBondContact OE1-ND2 2.83Å; N243-N245 VanDerWaalsContact C-N 3.3Å; N243-N245 PolarHBondContact O-N 2.82Å; N243-R246 PolarHBondContact O-N 3.31Å; N243-S248 PolarHBondContact OD1-OG 3.42Å
244	S	97.9	Very high	96.9	Very high	80 Å²	80	67.1 Å²	67.1	56%	0.559	33%	0.334	S	S	*	.	H	α-helix	trans	-65.2	-31.7	178.2	53.4	0	0	0	0	113.2	V240 L241 R246	V240-S244 WeakPolarHBondContact O-CB 3.36Å; V240-S244 PolarHBondContact O-N 2.92Å; V240-S244 PolarHBondContact O-OG 2.87Å; L241-S244 WeakPolarHBondContact CA-OG 3.46Å; L241-S244 PolarHBondContact O-OG 2.88Å; L241-S244 VanDerWaalsContact O-OG 3.11Å; S244-R246 VanDerWaalsContact C-N 3.3Å
245	N	98.4	Very high	96.8	Very high	94 Å²	94	72 Å²	72	50%	0.503	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	5	173.1	-72.4	-87.3	0	0	0	113.9	F216 L241 N243 L247	F216-N245 HydrophobicContact CE1-CB 3.94Å; L241-N245 WeakPolarHBondContact O-CB 3.33Å; L241-N245 PolarHBondContact O-N 2.8Å; L241-N245 PolarHBondContact O-ND2 2.93Å; N243-N245 VanDerWaalsContact C-N 3.3Å; N243-N245 PolarHBondContact O-N 2.82Å; N245-L247 VanDerWaalsContact C-N 3.32Å; N245-L247 HydrophobicContact CB-CD1 4.33Å; N245-L247 PolarHBondContact O-N 3Å
246	R	97.8	Very high	96.6	Very high	226 Å²	226	72.7 Å²	72.7	85%	0.853	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	37.5	177.5	-50.6	178.6	-176.3	175.7	0.3	113.8	V242 N243 S244	V242-R246 PolarHBondContact O-N 2.81Å; N243-R246 PolarHBondContact O-N 3.31Å; S244-R246 VanDerWaalsContact C-N 3.3Å
247	L	97.9	Very high	96.5	Very high	38 Å²	38	68.4 Å²	68.4	20%	0.199	35%	0.353	C	S	.	.			trans	-108.1	6.2	-177	-77.7	170.8	0	0	0	114.4	F216 A219 V242 N245 E249 R250 V251	F216-L247 HydrophobicContact CD1-CD1 3.55Å; F216-L247 HydrophobicContact CE1-CD1 3.8Å; A219-L247 HydrophobicContact CB-CD1 4.11Å; A219-L247 HydrophobicContact CB-CD2 4.19Å; V242-L247 HydrophobicContact CG1-CB 4.42Å; V242-L247 PolarHBondContact O-N 3.21Å; N245-L247 VanDerWaalsContact C-N 3.32Å; N245-L247 HydrophobicContact CB-CD1 4.33Å; N245-L247 PolarHBondContact O-N 3Å; L247-E249 PolarHBondContact O-N 3.41Å; L247-E249 VanDerWaalsContact O-N 3.07Å; L247-R250 CarbonylContact O-C 3.58Å; L247-R250 WeakPolarHBondContact O-CA 3.42Å; L247-R250 PolarHBondContact O-N 2.91Å; L247-V251 HydrophobicContact CB-CG2 4.21Å; L247-V251 PolarHBondContact O-N 2.91Å
248	S	96.3	Very high	96.6	Very high	51 Å²	51	65 Å²	65	36%	0.357	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.1	-174.7	-30.6	0	0	0	0	114.9	N243	N243-S248 PolarHBondContact OD1-OG 3.42Å
249	E	95.6	Very high	96.5	Very high	177 Å²	177	66 Å²	66	83%	0.827	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-30.8	171.9	-64.2	-172	166.8	0	0	112.6	K225 L247	K225-E249 PolarHBondContact NZ-O 2.97Å; L247-E249 PolarHBondContact O-N 3.41Å; L247-E249 VanDerWaalsContact O-N 3.07Å
250	R	97	Very high	96.3	Very high	116 Å²	116	67.1 Å²	67.1	44%	0.438	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-40.8	-174.4	-65.1	-171.5	-176.5	-169.6	0.9	113.6	K225 V226 L247	K225-R250 CarbonylContact C-O 3.48Å; K225-R250 VanDerWaalsContact CA-O 3.31Å; K225-R250 WeakPolarHBondContact CA-O 3.39Å; K225-R250 VanDerWaalsContact CD-O 3.23Å; K225-R250 WeakPolarHBondContact CD-O 3.41Å; V226-R250 PolarHBondContact N-O 2.67Å; L247-R250 CarbonylContact O-C 3.58Å; L247-R250 WeakPolarHBondContact O-CA 3.42Å; L247-R250 PolarHBondContact O-N 2.91Å
251	V	98.6	Very high	95.9	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.4	-179.9	-173.5	0	0	0	0	108.5	A219 V226 A228 V242 L247	A219-V251 HydrophobicContact CB-CG2 4.35Å; V226-V251 HydrophobicContact CB-CG1 4.43Å; V226-V251 HydrophobicContact CB-CG2 4.22Å; V226-V251 HydrophobicContact CG2-CG2 4.36Å; V226-V251 WeakPolarHBondContact O-CA 3.32Å; A228-V251 HydrophobicContact CB-CG1 4.17Å; V242-V251 HydrophobicContact CG1-CB 4.02Å; V242-V251 HydrophobicContact CG2-CB 3.93Å; V242-V251 HydrophobicContact CG2-CG1 3.63Å; L247-V251 HydrophobicContact CB-CG2 4.21Å; L247-V251 PolarHBondContact O-N 2.91Å
252	V	98.4	Very high	95.5	Very high	47 Å²	47	65.3 Å²	65.3	29%	0.285	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	113.4	177.6	-178.9	0	0	0	0	107.7	K225 V226 Y227 A228 I254	K225-V252 HydrophobicContact CD-CG2 4.17Å; K225-V252 VanDerWaalsContact NZ-CG2 3.31Å; V226-V252 PolarHBondContact O-N 3.01Å; Y227-V252 HydrophobicContact CD1-CB 4.16Å; Y227-V252 HydrophobicContact CE1-CB 4.45Å; A228-V252 PolarHBondContact N-O 3.06Å; V252-I254 HydrophobicContact CG1-CG1 4.26Å
253	V	97.9	Very high	95.2	Very high	18 Å²	18	66.4 Å²	66.4	11%	0.109	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	131.9	175.5	-171.6	0	0	0	0	109.5	A228 A235 A238 E239 V242	A228-V253 HydrophobicContact CB-CG2 4.46Å; A228-V253 CarbonylContact O-C 3.59Å; A228-V253 WeakPolarHBondContact O-CA 3.42Å; A235-V253 HydrophobicContact CB-CG1 4.02Å; A238-V253 HydrophobicContact CB-CG1 4.33Å; A238-V253 HydrophobicContact CB-CG2 4.13Å; E239-V253 HydrophobicContact CB-CB 4.46Å; E239-V253 HydrophobicContact CB-CG2 4.3Å; E239-V253 WeakPolarHBondContact OE2-CB 3.36Å; E239-V253 WeakPolarHBondContact OE2-CG2 3.46Å; V242-V253 HydrophobicContact CG2-CG2 4.08Å
254	I	97.1	Very high	95	Very high	30 Å²	30	67.6 Å²	67.6	15%	0.154	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	102.4	-178.7	-57.9	178.8	0	0	0	107.8	Y227 A228 V229 E230 V252 G256 V261 L263	Y227-I254 HydrophobicContact CD1-CD1 3.93Å; Y227-I254 HydrophobicContact CG-CD1 4.43Å; A228-I254 PolarHBondContact O-N 3.17Å; V229-I254 WeakPolarHBondContact CA-O 3.41Å; V229-I254 HydrophobicContact CG2-CB 4.26Å; E230-I254 PolarHBondContact N-O 3.24Å; V252-I254 HydrophobicContact CG1-CG1 4.26Å; I254-G256 PolarHBondContact O-N 3.34Å; I254-V261 HydrophobicContact CG2-CB 4.04Å; I254-V261 HydrophobicContact CG2-CG1 3.82Å; I254-L263 HydrophobicContact CD1-CD2 3.41Å; I254-L263 VanDerWaalsContact CD1-CD2 3.41Å
255	P	92	Very high	94.9	Very high	102 Å²	102	67 Å²	67	66%	0.662	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.2	178.4	28.1	-33	0	0	0	110.9	E230 A235	E230-P255 CarbonylContact O-C 3.5Å; E230-P255 VanDerWaalsContact O-CA 3.31Å; E230-P255 WeakPolarHBondContact O-CA 3.38Å; A235-P255 HydrophobicContact CB-CB 4.07Å
256	G	88.8	Confident	94.9	Very high	21 Å²	21	66.3 Å²	66.3	22%	0.216	34%	0.343	C	S	.	.	S	Bend	trans	149	175.3	178.4	0	0	0	0	0	113.6	V229 E230 A231 I254	V229-G256 WeakPolarHBondContact CG1-O 3.38Å; E230-G256 CarbonylContact C-O 3.6Å; E230-G256 PolarHBondContact O-N 3.31Å; A231-G256 WeakPolarHBondContact CA-O 3.46Å; A231-G256 PolarHBondContact N-O 2.57Å; I254-G256 PolarHBondContact O-N 3.34Å
257	K	92.4	Very high	95	Very high	47 Å²	47	55.6 Å²	55.6	20%	0.204	30%	0.303	C	S	.	.			trans	-82.6	143.6	174.7	-46	-168.1	-158.1	81.7	0	110.1	F153 F166 A231 E259 E260 V261	F153-K257 HydrophobicContact CB-CD 4.04Å; F153-K257 HydrophobicContact CD1-CD 3.4Å; F153-K257 VanDerWaalsContact CD1-CE 3.48Å; F153-K257 HydrophobicContact CD2-CD 4.03Å; F153-K257 HydrophobicContact CE1-CD 3.82Å; F153-K257 HydrophobicContact CE2-CD 4.4Å; F153-K257 HydrophobicContact CG-CD 3.53Å; F153-K257 HydrophobicContact CZ-CD 4.31Å; F166-K257 HydrophobicContact CE2-CD 4.23Å; F166-K257 HydrophobicContact CZ-CD 4.16Å; F166-K257 HydrophobicContact CZ-CG 4.39Å; A231-K257 HydrophobicContact CB-CG 4Å; K257-E259 WeakPolarHBondContact CB-OE2 3.44Å; K257-E259 PolarHBondContact O-N 2.86Å; K257-E259 VanDerWaalsContact O-N 3.15Å; K257-E260 HydrophobicContact CB-CB 4.4Å; K257-E260 HydrophobicContact CB-CG 4.4Å; K257-E260 IonicContact NZ-OE1 2.68Å; K257-E260 PolarHBondContact NZ-OE1 2.68Å; K257-E260 IonicContact NZ-OE2 3.77Å; K257-E260 PolarHBondContact NZ-OE2 3.25Å; K257-E260 PolarHBondContact O-N 3.29Å; K257-V261 WeakPolarHBondContact O-CG1 3.45Å; K257-V261 PolarHBondContact O-N 2.86Å
258	V	97	Very high	95	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.03	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.9	-179.4	72	0	0	0	0	112.9	V207 V229 E260 S287 A291 K293 F294	V207-V258 HydrophobicContact CG1-CB 4.12Å; V207-V258 HydrophobicContact CG1-CG1 3.96Å; V207-V258 HydrophobicContact CG1-CG2 4.29Å; V207-V258 HydrophobicContact CG2-CG2 4.41Å; V229-V258 HydrophobicContact CG1-CB 4.26Å; V258-E260 VanDerWaalsContact C-N 3.32Å; V258-S287 WeakPolarHBondContact CG1-O 3.43Å; V258-A291 HydrophobicContact CG2-CB 3.79Å; V258-K293 WeakPolarHBondContact O-CE 3.29Å; V258-K293 PolarHBondContact O-NZ 2.92Å; V258-F294 HydrophobicContact CG2-CD2 4.49Å; V258-F294 HydrophobicContact CG2-CE2 4.18Å
259	E	95.8	Very high	95.1	Very high	20 Å²	20	53 Å²	53	9%	0.093	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.1	170.9	-62	87.2	160.1	0	0	112.9	V152 F153 R156 K257 S287 K293	V152-E259 HydrophobicContact CB-CG 4.48Å; F153-E259 HydrophobicContact CB-CB 4.24Å; F153-E259 HydrophobicContact CB-CG 3.92Å; R156-E259 IonicContact CZ-OE1 3.43Å; R156-E259 IonicContact NH2-OE1 3.34Å; R156-E259 PolarHBondContact NH2-OE1 2.89Å; K257-E259 WeakPolarHBondContact CB-OE2 3.44Å; K257-E259 PolarHBondContact O-N 2.86Å; K257-E259 VanDerWaalsContact O-N 3.15Å; E259-S287 WeakPolarHBondContact OE1-CB 3.16Å; E259-S287 PolarHBondContact OE1-OG 3.38Å; E259-K293 PolarHBondContact O-NZ 3.24Å; E259-K293 VanDerWaalsContact O-NZ 3.16Å
260	E	91.1	Very high	95.3	Very high	94 Å²	94	44.6 Å²	44.6	44%	0.439	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-24	-167	-69.8	162.8	-166.5	0	0	114.2	S151 K257 V258	S151-E260 VanDerWaalsContact CB-CG 3.44Å; S151-E260 VanDerWaalsContact CB-OE1 3.3Å; S151-E260 WeakPolarHBondContact CB-OE1 3.49Å; S151-E260 PolarHBondContact OG-OE1 3.48Å; K257-E260 HydrophobicContact CB-CB 4.4Å; K257-E260 HydrophobicContact CB-CG 4.4Å; K257-E260 IonicContact NZ-OE1 2.68Å; K257-E260 PolarHBondContact NZ-OE1 2.68Å; K257-E260 IonicContact NZ-OE2 3.77Å; K257-E260 PolarHBondContact NZ-OE2 3.25Å; K257-E260 PolarHBondContact O-N 3.29Å; V258-E260 VanDerWaalsContact C-N 3.32Å
261	V	90.1	Very high	95.4	Very high	23 Å²	23	39.1 Å²	39.1	14%	0.139	23%	0.225	C	C	.	.			trans	-80.8	160.2	179.2	-59	0	0	0	0	112.5	V229 I254 K257	V229-V261 HydrophobicContact CG1-CG2 4.07Å; V229-V261 HydrophobicContact CG2-CG2 4.17Å; I254-V261 HydrophobicContact CG2-CB 4.04Å; I254-V261 HydrophobicContact CG2-CG1 3.82Å; K257-V261 WeakPolarHBondContact O-CG1 3.45Å; K257-V261 PolarHBondContact O-N 2.86Å
262	S	90.6	Very high	95.4	Very high	100 Å²	100	39 Å²	39	70%	0.699	23%	0.225	S	C	*	.			trans	-114.4	147.6	168.7	57.5	0	0	0	0	111
263	L	91.6	Very high	95.4	Very high	24 Å²	24	37.8 Å²	37.8	13%	0.126	22%	0.216	C	C	.	.			trans	-113.1	148.3	173.8	-59.7	-174.3	0	0	0	110	L205 Y227 I254 V267 F294	L205-L263 HydrophobicContact CD1-CD1 3.88Å; L205-L263 HydrophobicContact CD2-CD1 4.03Å; L205-L263 HydrophobicContact CG-CD1 4.42Å; Y227-L263 HydrophobicContact CD1-CD2 4.48Å; Y227-L263 HydrophobicContact CG-CD2 4.11Å; I254-L263 HydrophobicContact CD1-CD2 3.41Å; I254-L263 VanDerWaalsContact CD1-CD2 3.41Å; L263-V267 HydrophobicContact CD1-CG1 4.3Å; L263-F294 HydrophobicContact CB-CD1 3.95Å; L263-F294 HydrophobicContact CB-CE1 3.92Å; L263-F294 HydrophobicContact CB-CZ 4.43Å; L263-F294 HydrophobicContact CD1-CB 3.9Å; L263-F294 HydrophobicContact CD1-CD1 3.87Å; L263-F294 HydrophobicContact CD1-CD2 3.69Å; L263-F294 HydrophobicContact CD1-CE1 4.26Å; L263-F294 HydrophobicContact CD1-CE2 4.08Å; L263-F294 HydrophobicContact CD1-CG 3.55Å; L263-F294 HydrophobicContact CD1-CZ 4.34Å; L263-F294 HydrophobicContact CG-CD1 3.93Å; L263-F294 HydrophobicContact CG-CD2 4.14Å; L263-F294 HydrophobicContact CG-CE1 3.84Å; L263-F294 HydrophobicContact CG-CE2 4.04Å; L263-F294 HydrophobicContact CG-CG 4.07Å; L263-F294 HydrophobicContact CG-CZ 3.88Å
264	P	92.9	Very high	95.4	Very high	103 Å²	103	37 Å²	37	67%	0.669	21%	0.211	S	C	*	.	S	Bend	trans	-80.1	-16.6	-176.9	33.5	-37.7	0	0	0	114	Y227	Y227-P264 HydrophobicContact CE1-CG 3.81Å; Y227-P264 HydrophobicContact CE2-CG 4.45Å; Y227-P264 VanDerWaalsContact OH-CG 3.28Å; Y227-P264 WeakPolarHBondContact OH-CG 3.44Å
265	E	96	Very high	95.4	Very high	67 Å²	67	36 Å²	36	31%	0.313	21%	0.206	S	C	.	.	S	Bend	trans	-148.6	156.4	175.9	62	176.2	144.7	0	0	111.3	V203 R224 Y227	V203-E265 HydrophobicContact CG1-CG 4.16Å; R224-E265 VanDerWaalsContact NH2-CD 3.28Å; R224-E265 IonicContact NH2-OE1 3.39Å; R224-E265 PolarHBondContact NH2-OE1 2.62Å; R224-E265 IonicContact NH2-OE2 2.93Å; R224-E265 PolarHBondContact NH2-OE2 2.91Å; Y227-E265 HydrophobicContact CE2-CG 3.99Å; Y227-E265 PolarHBondContact OH-OE1 2.78Å
266	Q	98.5	Very high	95.6	Very high	81 Å²	81	31.3 Å²	31.3	38%	0.379	18%	0.176	S	C	.	.			trans	-68.5	148.9	170.3	-63.6	-65.5	95.1	0	0	110.6	K293 F294 L295 K296	Q266-K293 PolarHBondContact NE2-O 2.81Å; Q266-F294 CarbonylContact C-O 3.56Å; Q266-F294 VanDerWaalsContact CA-O 3.25Å; Q266-F294 WeakPolarHBondContact CA-O 3.06Å; Q266-F294 WeakPolarHBondContact CB-O 3.42Å; Q266-F294 PolarHBondContact NE2-O 2.86Å; Q266-L295 PolarHBondContact NE2-O 3.45Å; Q266-L295 VanDerWaalsContact NE2-O 3.13Å; Q266-K296 HydrophobicContact CB-CG 3.65Å; Q266-K296 WeakPolarHBondContact O-CE 3.39Å
267	V	98.8	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	153.1	-178	-51.5	0	0	0	0	112.7	V203 L205 Y227 L263 I270 F294 L295 K296	V203-V267 HydrophobicContact CB-CB 4.49Å; V203-V267 HydrophobicContact CG1-CB 4.15Å; V203-V267 HydrophobicContact CG1-CG1 3.75Å; L205-V267 HydrophobicContact CB-CB 4.28Å; L205-V267 HydrophobicContact CB-CG1 3.89Å; L205-V267 HydrophobicContact CB-CG2 3.83Å; Y227-V267 HydrophobicContact CD2-CG1 4.21Å; L263-V267 HydrophobicContact CD1-CG1 4.3Å; V267-I270 HydrophobicContact CG2-CG1 3.98Å; V267-F294 PolarHBondContact N-O 3.14Å; V267-L295 HydrophobicContact CG2-CD1 4.12Å; V267-K296 VanDerWaalsContact O-CG 3.28Å; V267-K296 WeakPolarHBondContact O-CG 3.48Å; V267-K296 PolarHBondContact O-N 2.68Å
268	D	98.9	Very high	96.1	Very high	35 Å²	35	30.3 Å²	30.3	19%	0.187	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-29.1	176.5	-58.9	-80.6	0	0	0	112.3	K202 V203 K296 G299 K300	K202-D268 HydrophobicContact CB-CB 3.97Å; K202-D268 HydrophobicContact CD-CB 4.08Å; K202-D268 HydrophobicContact CG-CB 4.23Å; V203-D268 PolarHBondContact N-OD2 3.12Å; V203-D268 PolarHBondContact O-N 2.8Å; D268-K296 WeakPolarHBondContact OD1-CD 3.4Å; D268-K296 IonicContact OD1-NZ 3.64Å; D268-K296 PolarHBondContact OD1-NZ 2.88Å; D268-K296 IonicContact OD2-NZ 2.76Å; D268-K296 PolarHBondContact OD2-NZ 2.87Å; D268-G299 CarbonylContact O-C 3.58Å; D268-G299 WeakPolarHBondContact O-CA 3.2Å; D268-K300 PolarHBondContact O-N 2.93Å
269	I	98.9	Very high	96.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	139.5	-178.9	-177	163.4	0	0	0	111.1	D198 F199 V203 V204 L205 I271 K300 F302	D198-I269 HydrophobicContact CB-CD1 4.48Å; F199-I269 HydrophobicContact CD1-CG2 4.22Å; F199-I269 HydrophobicContact CE1-CD1 3.9Å; F199-I269 HydrophobicContact CE1-CG2 4.11Å; F199-I269 HydrophobicContact CE2-CD1 4.06Å; F199-I269 HydrophobicContact CZ-CD1 3.54Å; V203-I269 PolarHBondContact O-N 2.89Å; V204-I269 WeakPolarHBondContact CA-O 3.1Å; V204-I269 HydrophobicContact CB-CG2 4.3Å; V204-I269 HydrophobicContact CG1-CG2 4.19Å; V204-I269 HydrophobicContact CG2-CG2 3.77Å; L205-I269 PolarHBondContact N-O 3.25Å; I269-I271 HydrophobicContact CG1-CG2 4.4Å; I269-K300 CarbonylContact C-O 3.56Å; I269-K300 VanDerWaalsContact CA-O 3.31Å; I269-K300 WeakPolarHBondContact CA-O 3.3Å; I269-K300 HydrophobicContact CB-CB 4.23Å; I269-K300 HydrophobicContact CD1-CB 3.85Å; I269-K300 HydrophobicContact CG1-CB 3.86Å; I269-F302 HydrophobicContact CD1-CB 4.38Å; I269-F302 HydrophobicContact CD1-CD1 3.92Å; I269-F302 HydrophobicContact CD1-CE1 4.37Å; I269-F302 HydrophobicContact CD1-CG 4.07Å
270	I	98.9	Very high	96.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.1	168.6	-47.3	-175.3	0	0	0	108.6	L205 V207 V267 Y288 A291 K292 L295 K300 M301 F302	L205-I270 HydrophobicContact CB-CG1 4.42Å; L205-I270 HydrophobicContact CB-CG2 4.33Å; L205-I270 HydrophobicContact CD2-CD1 4.37Å; L205-I270 HydrophobicContact CD2-CG1 4.46Å; L205-I270 HydrophobicContact CD2-CG2 4.34Å; L205-I270 HydrophobicContact CG-CG2 4.26Å; L205-I270 CarbonylContact O-C 3.58Å; L205-I270 WeakPolarHBondContact O-CA 3.48Å; V207-I270 HydrophobicContact CG2-CG2 3.54Å; V267-I270 HydrophobicContact CG2-CG1 3.98Å; I270-Y288 HydrophobicContact CB-CE2 4.28Å; I270-Y288 HydrophobicContact CG2-CD2 4.07Å; I270-Y288 HydrophobicContact CG2-CE2 3.71Å; I270-A291 VanDerWaalsContact CD1-C 3.44Å; I270-A291 HydrophobicContact CD1-CB 3.87Å; I270-A291 WeakPolarHBondContact CD1-O 3.35Å; I270-A291 HydrophobicContact CG2-CB 4.37Å; I270-K292 HydrophobicContact CD1-CG 4.48Å; I270-L295 HydrophobicContact CD1-CB 4.13Å; I270-L295 HydrophobicContact CD1-CD2 4.33Å; I270-L295 HydrophobicContact CG1-CB 4.49Å; I270-L295 HydrophobicContact CG1-CD1 4Å; I270-L295 HydrophobicContact CG1-CD2 4.42Å; I270-K300 PolarHBondContact N-O 2.89Å; I270-M301 HydrophobicContact CB-CG 4.41Å; I270-M301 WeakPolarHBondContact O-CA 3.27Å; I270-F302 PolarHBondContact O-N 2.89Å
271	I	98.9	Very high	96.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.4	168.5	68.1	-174.9	0	0	0	109.6	F199 V204 L205 D206 V207 L214 A218 I269 F302	F199-I271 HydrophobicContact CE1-CG2 3.7Å; F199-I271 HydrophobicContact CZ-CG2 4Å; V204-I271 HydrophobicContact CG1-CD1 3.85Å; V204-I271 HydrophobicContact CG1-CG1 4.01Å; V204-I271 HydrophobicContact CG1-CG2 4.22Å; L205-I271 PolarHBondContact O-N 3.27Å; D206-I271 WeakPolarHBondContact CA-O 3.32Å; D206-I271 HydrophobicContact CB-CD1 4.06Å; D206-I271 HydrophobicContact CB-CG1 3.77Å; V207-I271 PolarHBondContact N-O 3.09Å; L214-I271 HydrophobicContact CB-CD1 3.79Å; L214-I271 HydrophobicContact CB-CG1 4.37Å; A218-I271 HydrophobicContact CB-CD1 4.08Å; I269-I271 HydrophobicContact CG1-CG2 4.4Å; I271-F302 WeakPolarHBondContact CA-O 3.27Å; I271-F302 HydrophobicContact CG2-CB 4Å
272	S	98.8	Very high	96.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	162.5	171.9	-171.4	0	0	0	0	110.2	Y188 V207 P274 Y288 F302 P303	Y188-S272 VanDerWaalsContact CE1-O 3.26Å; Y188-S272 WeakPolarHBondContact CE1-O 3.31Å; Y188-S272 PolarHBondContact OH-O 3.06Å; V207-S272 PolarHBondContact O-OG 3.34Å; S272-P274 VanDerWaalsContact C-CD 3.44Å; S272-P274 WeakPolarHBondContact O-CD 3.16Å; S272-Y288 VanDerWaalsContact CB-CE2 3.47Å; S272-F302 PolarHBondContact N-O 2.79Å; S272-F302 VanDerWaalsContact N-O 3.15Å; S272-P303 WeakPolarHBondContact O-CD 3.35Å
273	E	98.3	Very high	97	Very high	21 Å²	21	22 Å²	22	10%	0.098	11%	0.113	C	C	.	.			trans	-116.5	88.6	158.4	-165.2	-67.6	100.7	0	0	107.6	R184 Y188 L214 M275 M284 W431	R184-E273 IonicContact CZ-OE2 2.79Å; R184-E273 IonicContact NE-OE2 3.62Å; R184-E273 IonicContact NH1-OE2 3.81Å; R184-E273 PolarHBondContact NH1-OE2 3.34Å; R184-E273 IonicContact NH2-OE2 2.77Å; R184-E273 PolarHBondContact NH2-OE2 2.91Å; Y188-E273 HydrophobicContact CE1-CB 4.49Å; Y188-E273 HydrophobicContact CE2-CB 4.32Å; Y188-E273 HydrophobicContact CE2-CG 3.85Å; Y188-E273 WeakPolarHBondContact OH-CA 3.44Å; L214-E273 HydrophobicContact CD1-CB 4.27Å; E273-M275 HydrophobicContact CG-CE 4.05Å; E273-M275 WeakPolarHBondContact OE1-CB 3.37Å; E273-M275 WeakPolarHBondContact OE1-CE 3.49Å; E273-M275 PolarHBondContact OE1-N 3.06Å; E273-M284 WeakPolarHBondContact O-CE 3.18Å; E273-W431 HydrophobicContact CG-CZ2 4.3Å; E273-W431 WeakPolarHBondContact OE1-CZ2 3.4Å
274	P	97.6	Very high	97.3	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.019	11%	0.114	C	C	.	.			trans	-102.7	13.5	-176.8	40.8	-39	0	0	0	113.8	S272 M284 L285 Y288	S272-P274 VanDerWaalsContact C-CD 3.44Å; S272-P274 WeakPolarHBondContact O-CD 3.16Å; P274-M284 HydrophobicContact CB-CB 4.19Å; P274-M284 HydrophobicContact CB-CE 4.38Å; P274-M284 HydrophobicContact CB-CG 3.81Å; P274-L285 HydrophobicContact CB-CD2 4.04Å; P274-L285 HydrophobicContact CB-CG 4.3Å; P274-L285 HydrophobicContact CG-CD2 3.55Å; P274-L285 HydrophobicContact CG-CG 4.27Å; P274-Y288 HydrophobicContact CB-CG 4.42Å; P274-Y288 HydrophobicContact CG-CD1 3.95Å; P274-Y288 HydrophobicContact CG-CE1 4.46Å; P274-Y288 HydrophobicContact CG-CG 4.06Å
275	M	98.1	Very high	97.6	Very high	8 Å²	8	17.6 Å²	17.6	4%	0.039	8%	0.083	C	C	.	.			trans	-89.2	117.3	-170.2	-61.8	95.6	58.9	0	0	111.8	Y188 E273 L279 P303 F407 V409 L420 W431	Y188-M275 HydrophobicContact CE2-CE 4.14Å; Y188-M275 WeakPolarHBondContact OH-CE 3.26Å; E273-M275 HydrophobicContact CG-CE 4.05Å; E273-M275 WeakPolarHBondContact OE1-CB 3.37Å; E273-M275 WeakPolarHBondContact OE1-CE 3.49Å; E273-M275 PolarHBondContact OE1-N 3.06Å; M275-L279 HydrophobicContact CB-CD1 4.01Å; M275-L279 HydrophobicContact CG-CD1 3.4Å; M275-P303 HydrophobicContact SD-CG 4.07Å; M275-F407 HydrophobicContact CB-CE2 3.74Å; M275-F407 HydrophobicContact CB-CZ 3.71Å; M275-F407 HydrophobicContact CE-CE2 4.38Å; M275-F407 HydrophobicContact CG-CE2 3.81Å; M275-F407 HydrophobicContact CG-CZ 4.31Å; M275-V409 HydrophobicContact CE-CG1 4.49Å; M275-V409 HydrophobicContact CE-CG2 3.91Å; M275-V409 HydrophobicContact CG-CG1 3.92Å; M275-V409 HydrophobicContact SD-CG1 4.03Å; M275-V409 HydrophobicContact SD-CG2 4.21Å; M275-L420 HydrophobicContact CE-CD2 4.07Å; M275-W431 HydrophobicContact CB-CZ2 4.26Å; M275-W431 HydrophobicContact CE-CH2 3.82Å; M275-W431 HydrophobicContact CE-CZ2 3.8Å; M275-W431 PolarHBondContact O-NE1 2.84Å
276	G	95.6	Very high	97.7	Very high	3 Å²	3	14.4 Å²	14.4	3%	0.031	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-92	-174	168.6	0	0	0	0	0	113	M278 L279 F407	G276-M278 PolarHBondContact O-N 2.84Å; G276-L279 PolarHBondContact N-O 3.3Å; G276-L279 VanDerWaalsContact N-O 3.12Å; G276-L279 CarbonylContact O-C 3.55Å; G276-L279 VanDerWaalsContact O-CA 3.32Å; G276-L279 WeakPolarHBondContact O-CA 3.47Å; G276-L279 PolarHBondContact O-N 3.11Å; G276-F407 WeakPolarHBondContact O-CE1 3.33Å
277	Y	95.6	Very high	97.7	Very high	42 Å²	42	11.2 Å²	11.2	17%	0.165	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	139.9	164.3	-59.7	-61.5	0	0	0	111.3	L279 N281 V356 W431 V434 F490	Y277-L279 PolarHBondContact O-N 3Å; Y277-N281 VanDerWaalsContact O-CB 3.22Å; Y277-N281 WeakPolarHBondContact O-CB 3.35Å; Y277-N281 PolarHBondContact O-N 3.5Å; Y277-V356 HydrophobicContact CD1-CG1 4.11Å; Y277-V356 HydrophobicContact CD1-CG2 4.24Å; Y277-V356 HydrophobicContact CE1-CG1 3.79Å; Y277-V356 HydrophobicContact CE1-CG2 4.46Å; Y277-V356 HydrophobicContact CG-CG2 4.46Å; Y277-W431 WeakPolarHBondContact CD1-O 3.31Å; Y277-V434 HydrophobicContact CD1-CG2 4.5Å; Y277-F490 HydrophobicContact CE1-CE1 4.25Å; Y277-F490 HydrophobicContact CE2-CE1 4.25Å; Y277-F490 AromaticContact CE2-CZ 3.82Å; Y277-F490 HydrophobicContact CE2-CZ 3.82Å; Y277-F490 AromaticContact CZ-CE1 3.68Å; Y277-F490 AromaticContact CZ-CZ 3.72Å; Y277-F490 VanDerWaalsContact OH-CE1 3.27Å; Y277-F490 WeakPolarHBondContact OH-CE1 3.23Å; Y277-F490 WeakPolarHBondContact OH-CZ 3.44Å
278	M	97	Very high	97.7	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.025	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	32.6	-172.2	-59.7	-178.9	54.8	0	0	113.8	G276 F280 F405 V434 L456 I466 L485	G276-M278 PolarHBondContact O-N 2.84Å; M278-F280 WeakPolarHBondContact O-CD2 3.28Å; M278-F280 PolarHBondContact O-N 3.45Å; M278-F405 HydrophobicContact CE-CB 4.11Å; M278-F405 HydrophobicContact CE-CD1 3.56Å; M278-F405 HydrophobicContact CE-CD2 3.78Å; M278-F405 HydrophobicContact CE-CE1 3.78Å; M278-F405 HydrophobicContact CE-CE2 4.01Å; M278-F405 HydrophobicContact CE-CG 3.55Å; M278-F405 HydrophobicContact CE-CZ 4.01Å; M278-F405 HydrophobicContact CG-CB 4.04Å; M278-F405 HydrophobicContact CG-CG 4.49Å; M278-F405 HydrophobicContact SD-CB 4.44Å; M278-F405 HydrophobicContact SD-CD2 4.27Å; M278-F405 HydrophobicContact SD-CG 4.3Å; M278-V434 HydrophobicContact CG-CB 3.59Å; M278-V434 HydrophobicContact CG-CG1 3.82Å; M278-V434 HydrophobicContact CG-CG2 3.71Å; M278-V434 HydrophobicContact SD-CB 4.13Å; M278-V434 HydrophobicContact SD-CG1 3.75Å; M278-L456 HydrophobicContact CE-CD2 4.47Å; M278-I466 HydrophobicContact CE-CD1 3.84Å; M278-I466 HydrophobicContact SD-CD1 3.59Å; M278-I466 VanDerWaalsContact SD-CD1 3.59Å; M278-L485 HydrophobicContact CB-CD2 4.49Å; M278-L485 HydrophobicContact CG-CD1 4.44Å; M278-L485 HydrophobicContact SD-CD1 4.06Å
279	L	98.4	Very high	97.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	65.5	-43.2	-171.8	-176.9	62.3	0	0	0	114.6	M275 G276 Y277 L285 V308 F407 V409	M275-L279 HydrophobicContact CB-CD1 4.01Å; M275-L279 HydrophobicContact CG-CD1 3.4Å; G276-L279 PolarHBondContact N-O 3.3Å; G276-L279 VanDerWaalsContact N-O 3.12Å; G276-L279 CarbonylContact O-C 3.55Å; G276-L279 VanDerWaalsContact O-CA 3.32Å; G276-L279 WeakPolarHBondContact O-CA 3.47Å; G276-L279 PolarHBondContact O-N 3.11Å; Y277-L279 PolarHBondContact O-N 3Å; L279-L285 HydrophobicContact CD1-CD1 4.18Å; L279-L285 HydrophobicContact CG-CD1 3.89Å; L279-V308 HydrophobicContact CB-CG2 3.68Å; L279-V308 HydrophobicContact CD2-CG2 3.55Å; L279-V308 HydrophobicContact CG-CG2 4.24Å; L279-F407 HydrophobicContact CB-CB 3.83Å; L279-F407 HydrophobicContact CB-CD1 4.08Å; L279-F407 HydrophobicContact CB-CD2 4.34Å; L279-F407 HydrophobicContact CB-CG 3.83Å; L279-F407 HydrophobicContact CD1-CD2 3.88Å; L279-F407 HydrophobicContact CD1-CE2 4.26Å; L279-F407 HydrophobicContact CD1-CG 4.24Å; L279-F407 VanDerWaalsContact N-CD1 3.35Å; L279-V409 HydrophobicContact CD1-CG1 4.01Å
280	F	98	Very high	97.7	Very high	3 Å²	3	11.8 Å²	11.8	1%	0.013	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-16.7	-165	-52.4	-65.2	0	0	0	115.7	M278 R283 L285 V308 Y371 V373 L383 I386 L456 Y464	M278-F280 WeakPolarHBondContact O-CD2 3.28Å; M278-F280 PolarHBondContact O-N 3.45Å; F280-R283 PolarHBondContact O-N 3.08Å; F280-L285 HydrophobicContact CD1-CD1 3.81Å; F280-L285 HydrophobicContact CE1-CD1 4.29Å; F280-V308 HydrophobicContact CD2-CG2 4.44Å; F280-V308 HydrophobicContact CE2-CB 4.46Å; F280-V308 HydrophobicContact CE2-CG2 3.58Å; F280-V308 HydrophobicContact CZ-CG2 3.7Å; F280-Y371 HydrophobicContact CZ-CD1 4.5Å; F280-Y371 HydrophobicContact CZ-CE1 4.45Å; F280-V373 HydrophobicContact CE1-CG2 3.99Å; F280-V373 HydrophobicContact CZ-CG2 4.08Å; F280-L383 HydrophobicContact CE1-CD2 4.36Å; F280-I386 HydrophobicContact CD1-CD1 3.55Å; F280-I386 HydrophobicContact CD2-CD1 3.94Å; F280-I386 HydrophobicContact CE1-CD1 3.54Å; F280-I386 HydrophobicContact CE2-CD1 3.88Å; F280-I386 HydrophobicContact CE2-CG2 4.43Å; F280-I386 HydrophobicContact CG-CD1 3.77Å; F280-I386 HydrophobicContact CZ-CD1 3.7Å; F280-I386 HydrophobicContact CZ-CG2 4.39Å; F280-L456 HydrophobicContact CD2-CD2 3.66Å; F280-L456 HydrophobicContact CE2-CD2 4.32Å; F280-Y464 HydrophobicContact CB-CD2 4.02Å; F280-Y464 HydrophobicContact CB-CE2 3.63Å; F280-Y464 WeakPolarHBondContact O-CE2 3.35Å
281	N	96	Very high	97.6	Very high	13 Å²	13	11.8 Å²	11.8	7%	0.07	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-54.2	157.6	-179.4	-168.5	43.9	0	0	0	111.6	Y277 R283 S463 L485	Y277-N281 VanDerWaalsContact O-CB 3.22Å; Y277-N281 WeakPolarHBondContact O-CB 3.35Å; Y277-N281 PolarHBondContact O-N 3.5Å; N281-R283 PolarHBondContact O-N 3.11Å; N281-R283 VanDerWaalsContact O-N 3.08Å; N281-S463 WeakPolarHBondContact OD1-CB 3.11Å; N281-S463 PolarHBondContact OD1-OG 2.82Å; N281-L485 HydrophobicContact CB-CD2 3.8Å; N281-L485 HydrophobicContact CB-CG 4.07Å
282	E	93.8	Very high	97.6	Very high	41 Å²	41	14 Å²	14	19%	0.192	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	71.9	-12.8	-176.4	-63	165.4	-128.8	0	0	114.9	Y165 Y169 M284 Q462	Y165-E282 HydrophobicContact CE2-CB 3.8Å; Y165-E282 HydrophobicContact CE2-CG 3.9Å; Y165-E282 WeakPolarHBondContact CE2-OE2 3.44Å; Y169-E282 WeakPolarHBondContact CE2-OE2 3.18Å; Y169-E282 PolarHBondContact OH-OE2 2.81Å; E282-M284 PolarHBondContact O-N 2.66Å; E282-M284 VanDerWaalsContact O-N 3.11Å; E282-Q462 CarbonylContact C-O 3.49Å; E282-Q462 WeakPolarHBondContact CA-O 3.43Å; E282-Q462 PolarHBondContact N-O 2.99Å; E282-Q462 VanDerWaalsContact N-O 3.09Å
283	R	97.2	Very high	97.6	Very high	12 Å²	12	18.1 Å²	18.1	5%	0.045	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	54.3	27.6	177.3	-64.6	180	61.3	-157.6	-2.9	113	R156 F280 N281 E286 N459 Y464	R156-R283 PolarHBondContact NH1-O 3.37Å; R156-R283 VanDerWaalsContact NH1-O 3.14Å; R156-R283 PolarHBondContact O-NH1 2.83Å; F280-R283 PolarHBondContact O-N 3.08Å; N281-R283 PolarHBondContact O-N 3.11Å; N281-R283 VanDerWaalsContact O-N 3.08Å; R283-E286 IonicContact CZ-OE1 3.28Å; R283-E286 IonicContact CZ-OE2 2.72Å; R283-E286 IonicContact NE-OE1 2.73Å; R283-E286 PolarHBondContact NE-OE1 3.44Å; R283-E286 IonicContact NE-OE2 3.45Å; R283-E286 PolarHBondContact NE-OE2 2.96Å; R283-E286 VanDerWaalsContact NH2-CD 3.3Å; R283-E286 IonicContact NH2-OE1 2.9Å; R283-E286 PolarHBondContact NH2-OE1 2.91Å; R283-E286 IonicContact NH2-OE2 2.89Å; R283-E286 PolarHBondContact NH2-OE2 3.32Å; R283-E286 PolarHBondContact O-N 3.15Å; R283-N459 PolarHBondContact NH1-O 2.92Å; R283-Y464 HydrophobicContact CG-CD2 4.3Å; R283-Y464 HydrophobicContact CG-CE2 3.61Å
284	M	97.5	Very high	97.6	Very high	30 Å²	30	18.1 Å²	18.1	15%	0.148	8%	0.084	C	C	.	.	H	α-helix	trans	-75	-26	177.7	-175.1	164.5	160.6	0	0	112.1	V207 E273 P274 E282 E286 S287 Y288	V207-M284 WeakPolarHBondContact O-CE 3.27Å; E273-M284 WeakPolarHBondContact O-CE 3.18Å; P274-M284 HydrophobicContact CB-CB 4.19Å; P274-M284 HydrophobicContact CB-CE 4.38Å; P274-M284 HydrophobicContact CB-CG 3.81Å; E282-M284 PolarHBondContact O-N 2.66Å; E282-M284 VanDerWaalsContact O-N 3.11Å; M284-E286 PolarHBondContact O-N 3.05Å; M284-S287 WeakPolarHBondContact O-CB 3.34Å; M284-S287 PolarHBondContact O-N 2.91Å; M284-Y288 PolarHBondContact O-N 2.75Å
285	L	98.6	Very high	97.6	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-56.1	-32.1	170.4	-80.1	172	0	0	0	113.2	P274 L279 F280 Y288 L289 F375 L383	P274-L285 HydrophobicContact CB-CD2 4.04Å; P274-L285 HydrophobicContact CB-CG 4.3Å; P274-L285 HydrophobicContact CG-CD2 3.55Å; P274-L285 HydrophobicContact CG-CG 4.27Å; L279-L285 HydrophobicContact CD1-CD1 4.18Å; L279-L285 HydrophobicContact CG-CD1 3.89Å; F280-L285 HydrophobicContact CD1-CD1 3.81Å; F280-L285 HydrophobicContact CE1-CD1 4.29Å; L285-Y288 HydrophobicContact CD2-CD1 4.14Å; L285-Y288 WeakPolarHBondContact O-CB 3.2Å; L285-Y288 PolarHBondContact O-N 3.22Å; L285-L289 WeakPolarHBondContact O-CG 3.36Å; L285-L289 PolarHBondContact O-N 2.59Å; L285-F375 HydrophobicContact CD1-CE1 4.18Å; L285-F375 HydrophobicContact CD1-CZ 4.44Å; L285-F375 HydrophobicContact CD2-CD1 4.09Å; L285-F375 HydrophobicContact CD2-CE1 3.5Å; L285-F375 VanDerWaalsContact CD2-CE1 3.5Å; L285-F375 HydrophobicContact CD2-CE2 4.39Å; L285-F375 HydrophobicContact CD2-CZ 3.67Å; L285-F375 HydrophobicContact CG-CE1 4.47Å; L285-L383 HydrophobicContact CB-CD1 3.64Å
286	E	98.5	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-44.1	174.7	-64.5	170.2	-157.4	0	0	110.9	R156 R283 M284 Y288 L289 H290 E380 L383 Y384	R156-E286 VanDerWaalsContact CD-OE2 3.27Å; R156-E286 WeakPolarHBondContact CD-OE2 3.43Å; R156-E286 IonicContact CZ-OE2 3.37Å; R156-E286 IonicContact NE-OE2 2.7Å; R156-E286 IonicContact NH1-OE2 3.35Å; R156-E286 PolarHBondContact NH1-OE2 3.16Å; R283-E286 IonicContact CZ-OE1 3.28Å; R283-E286 IonicContact CZ-OE2 2.72Å; R283-E286 IonicContact NE-OE1 2.73Å; R283-E286 PolarHBondContact NE-OE1 3.44Å; R283-E286 IonicContact NE-OE2 3.45Å; R283-E286 PolarHBondContact NE-OE2 2.96Å; R283-E286 VanDerWaalsContact NH2-CD 3.3Å; R283-E286 IonicContact NH2-OE1 2.9Å; R283-E286 PolarHBondContact NH2-OE1 2.91Å; R283-E286 IonicContact NH2-OE2 2.89Å; R283-E286 PolarHBondContact NH2-OE2 3.32Å; R283-E286 PolarHBondContact O-N 3.15Å; M284-E286 PolarHBondContact O-N 3.05Å; E286-Y288 VanDerWaalsContact C-N 3.28Å; E286-Y288 PolarHBondContact O-N 2.65Å; E286-L289 PolarHBondContact O-N 2.88Å; E286-H290 WeakPolarHBondContact O-CB 3.39Å; E286-H290 PolarHBondContact O-N 3.28Å; E286-E380 HydrophobicContact CB-CG 4.44Å; E286-E380 WeakPolarHBondContact O-CG 3.4Å; E286-L383 HydrophobicContact CG-CB 4.05Å; E286-L383 HydrophobicContact CG-CD1 3.92Å; E286-Y384 HydrophobicContact CG-CE1 4.4Å
287	S	98.4	Very high	97.7	Very high	14 Å²	14	27.1 Å²	27.1	10%	0.098	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-35.8	172.9	-59.2	0	0	0	0	112.2	R156 V258 E259 M284 H290 A291	R156-S287 PolarHBondContact NH2-OG 2.8Å; V258-S287 WeakPolarHBondContact CG1-O 3.43Å; E259-S287 WeakPolarHBondContact OE1-CB 3.16Å; E259-S287 PolarHBondContact OE1-OG 3.38Å; M284-S287 WeakPolarHBondContact O-CB 3.34Å; M284-S287 PolarHBondContact O-N 2.91Å; S287-H290 PolarHBondContact O-N 3.2Å; S287-A291 PolarHBondContact O-N 3.4Å
288	Y	98.8	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-39.8	175.7	-176.2	-127.1	0	0	0	112.6	I270 S272 P274 M284 L285 E286 A291 M301 F302 P303 F375	I270-Y288 HydrophobicContact CB-CE2 4.28Å; I270-Y288 HydrophobicContact CG2-CD2 4.07Å; I270-Y288 HydrophobicContact CG2-CE2 3.71Å; S272-Y288 VanDerWaalsContact CB-CE2 3.47Å; P274-Y288 HydrophobicContact CB-CG 4.42Å; P274-Y288 HydrophobicContact CG-CD1 3.95Å; P274-Y288 HydrophobicContact CG-CE1 4.46Å; P274-Y288 HydrophobicContact CG-CG 4.06Å; M284-Y288 PolarHBondContact O-N 2.75Å; L285-Y288 HydrophobicContact CD2-CD1 4.14Å; L285-Y288 WeakPolarHBondContact O-CB 3.2Å; L285-Y288 PolarHBondContact O-N 3.22Å; E286-Y288 VanDerWaalsContact C-N 3.28Å; E286-Y288 PolarHBondContact O-N 2.65Å; Y288-A291 WeakPolarHBondContact O-CB 3.42Å; Y288-M301 HydrophobicContact CD1-CE 3.82Å; Y288-M301 HydrophobicContact CD2-CE 4.1Å; Y288-M301 HydrophobicContact CE1-CE 3.57Å; Y288-M301 HydrophobicContact CE2-CE 3.86Å; Y288-M301 HydrophobicContact CG-CE 4.09Å; Y288-M301 WeakPolarHBondContact O-CE 3.48Å; Y288-M301 WeakPolarHBondContact OH-CB 3.42Å; Y288-F302 PolarHBondContact OH-N 2.87Å; Y288-F302 PolarHBondContact OH-O 3.12Å; Y288-P303 HydrophobicContact CE1-CG 4.43Å; Y288-P303 PolarHBondContact OH-O 3.16Å; Y288-F375 HydrophobicContact CD1-CB 4.49Å; Y288-F375 HydrophobicContact CD1-CG 4.42Å; Y288-F375 HydrophobicContact CE1-CB 4.05Å; Y288-F375 HydrophobicContact CE1-CD2 4.02Å; Y288-F375 HydrophobicContact CE1-CG 4.08Å
289	L	98.7	Very high	97.7	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-38.7	173.1	-65.1	-176.4	0	0	0	111.9	L285 E286 A291 K292 M301 F375 A378 K379 E380 L383	L285-L289 WeakPolarHBondContact O-CG 3.36Å; L285-L289 PolarHBondContact O-N 2.59Å; E286-L289 PolarHBondContact O-N 2.88Å; L289-A291 VanDerWaalsContact C-N 3.25Å; L289-A291 PolarHBondContact O-N 3.06Å; L289-K292 VanDerWaalsContact O-CB 3.24Å; L289-K292 WeakPolarHBondContact O-CB 3.44Å; L289-K292 WeakPolarHBondContact O-CG 3.46Å; L289-K292 PolarHBondContact O-N 3.22Å; L289-K292 VanDerWaalsContact O-N 3.09Å; L289-M301 HydrophobicContact CD2-CE 4.43Å; L289-F375 HydrophobicContact CD2-CB 3.96Å; L289-F375 HydrophobicContact CD2-CD1 4.29Å; L289-F375 WeakPolarHBondContact CD2-O 3.31Å; L289-A378 HydrophobicContact CD1-CB 4.08Å; L289-K379 VanDerWaalsContact CD1-C 3.48Å; L289-K379 VanDerWaalsContact CD1-O 3.32Å; L289-K379 WeakPolarHBondContact CD1-O 3.44Å; L289-E380 HydrophobicContact CB-CG 4.08Å; L289-L383 HydrophobicContact CD1-CD1 3.57Å; L289-L383 HydrophobicContact CD1-CG 3.96Å; L289-L383 HydrophobicContact CG-CD1 4.4Å
290	H	98.3	Very high	97.7	Very high	42 Å²	42	36 Å²	36	19%	0.194	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-37.9	175.2	-168	79	0	0	0	112.3	V152 E286 S287 K292 K293 E380	V152-H290 VanDerWaalsContact CG2-NE2 3.32Å; V152-H290 WeakPolarHBondContact CG2-NE2 3.24Å; E286-H290 WeakPolarHBondContact O-CB 3.39Å; E286-H290 PolarHBondContact O-N 3.28Å; S287-H290 PolarHBondContact O-N 3.2Å; H290-K292 PolarHBondContact O-N 3.01Å; H290-K293 PolarHBondContact CD2-NZ 3.31Å; H290-K293 WeakPolarHBondContact O-CG 3.34Å; H290-K293 PolarHBondContact O-N 3.44Å; H290-K293 VanDerWaalsContact O-N 3.11Å; H290-E380 VanDerWaalsContact CA-OE1 3.29Å; H290-E380 WeakPolarHBondContact CA-OE1 3.49Å; H290-E380 HydrophobicContact CB-CG 4.34Å; H290-E380 VanDerWaalsContact CB-OE1 3.31Å; H290-E380 WeakPolarHBondContact CB-OE1 3.34Å; H290-E380 IonicContact CE1-OE1 2.98Å; H290-E380 PolarHBondContact CE1-OE1 3.24Å; H290-E380 IonicContact CE1-OE2 3.31Å; H290-E380 PolarHBondContact CE1-OE2 3.3Å; H290-E380 IonicContact CG-OE1 2.77Å; H290-E380 IonicContact CG-OE2 3.36Å; H290-E380 IonicContact ND1-OE1 3.67Å; H290-E380 PolarHBondContact ND1-OE1 3.37Å; H290-E380 IonicContact ND1-OE2 3.6Å; H290-E380 PolarHBondContact ND1-OE2 3.44Å
291	A	98.6	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-58.7	-19.8	177.9	0	0	0	0	0	113.4	L205 V207 V258 I270 S287 Y288 L289 K293 F294	L205-A291 HydrophobicContact CD2-CB 3.99Å; V207-A291 HydrophobicContact CG2-CB 3.65Å; V258-A291 HydrophobicContact CG2-CB 3.79Å; I270-A291 VanDerWaalsContact CD1-C 3.44Å; I270-A291 HydrophobicContact CD1-CB 3.87Å; I270-A291 WeakPolarHBondContact CD1-O 3.35Å; I270-A291 HydrophobicContact CG2-CB 4.37Å; S287-A291 PolarHBondContact O-N 3.4Å; Y288-A291 WeakPolarHBondContact O-CB 3.42Å; L289-A291 VanDerWaalsContact C-N 3.25Å; L289-A291 PolarHBondContact O-N 3.06Å; A291-K293 PolarHBondContact O-N 2.99Å; A291-F294 WeakPolarHBondContact O-CB 3.36Å; A291-F294 PolarHBondContact O-N 3.04Å
292	K	98.4	Very high	97.9	Very high	48 Å²	48	35.3 Å²	35.3	21%	0.209	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-57.4	-19	173.2	-69.5	-164.8	-68.9	-162.6	0	114	I270 L289 H290 F294 L295 M301 F375 L376 A378	I270-K292 HydrophobicContact CD1-CG 4.48Å; L289-K292 VanDerWaalsContact O-CB 3.24Å; L289-K292 WeakPolarHBondContact O-CB 3.44Å; L289-K292 WeakPolarHBondContact O-CG 3.46Å; L289-K292 PolarHBondContact O-N 3.22Å; L289-K292 VanDerWaalsContact O-N 3.09Å; H290-K292 PolarHBondContact O-N 3.01Å; K292-F294 PolarHBondContact O-N 3.25Å; K292-F294 VanDerWaalsContact O-N 3.14Å; K292-L295 HydrophobicContact CG-CD2 4.38Å; K292-L295 WeakPolarHBondContact O-CB 3.42Å; K292-L295 PolarHBondContact O-N 2.84Å; K292-M301 HydrophobicContact CD-CE 4.17Å; K292-M301 HydrophobicContact CD-SD 3.49Å; K292-M301 WeakPolarHBondContact CD-SD 3.07Å; K292-M301 HydrophobicContact CG-CE 3.78Å; K292-M301 HydrophobicContact CG-SD 3.57Å; K292-M301 VanDerWaalsContact CG-SD 3.57Å; K292-F375 PolarHBondContact NZ-O 2.82Å; K292-L376 VanDerWaalsContact NZ-C 3.31Å; K292-L376 PolarHBondContact NZ-O 3.39Å; K292-A378 PolarHBondContact NZ-O 2.82Å
293	K	97.6	Very high	98.1	Very high	87 Å²	87	33.4 Å²	33.4	38%	0.378	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-53.9	-29.9	169.7	73.8	-171.9	179	-176.7	0	112.7	V258 E259 Q266 H290 A291	V258-K293 WeakPolarHBondContact O-CE 3.29Å; V258-K293 PolarHBondContact O-NZ 2.92Å; E259-K293 PolarHBondContact O-NZ 3.24Å; E259-K293 VanDerWaalsContact O-NZ 3.16Å; Q266-K293 PolarHBondContact NE2-O 2.81Å; H290-K293 PolarHBondContact CD2-NZ 3.31Å; H290-K293 WeakPolarHBondContact O-CG 3.34Å; H290-K293 PolarHBondContact O-N 3.44Å; H290-K293 VanDerWaalsContact O-N 3.11Å; A291-K293 PolarHBondContact O-N 2.99Å
294	F	98.6	Very high	98.2	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.088	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-91.3	-7	177.1	-59.9	-58.5	0	0	0	114.4	L205 V258 L263 Q266 V267 A291 K292	L205-F294 HydrophobicContact CD2-CB 4.16Å; L205-F294 HydrophobicContact CD2-CD2 3.83Å; L205-F294 HydrophobicContact CD2-CG 4.42Å; V258-F294 HydrophobicContact CG2-CD2 4.49Å; V258-F294 HydrophobicContact CG2-CE2 4.18Å; L263-F294 HydrophobicContact CB-CD1 3.95Å; L263-F294 HydrophobicContact CB-CE1 3.92Å; L263-F294 HydrophobicContact CB-CZ 4.43Å; L263-F294 HydrophobicContact CD1-CB 3.9Å; L263-F294 HydrophobicContact CD1-CD1 3.87Å; L263-F294 HydrophobicContact CD1-CD2 3.69Å; L263-F294 HydrophobicContact CD1-CE1 4.26Å; L263-F294 HydrophobicContact CD1-CE2 4.08Å; L263-F294 HydrophobicContact CD1-CG 3.55Å; L263-F294 HydrophobicContact CD1-CZ 4.34Å; L263-F294 HydrophobicContact CG-CD1 3.93Å; L263-F294 HydrophobicContact CG-CD2 4.14Å; L263-F294 HydrophobicContact CG-CE1 3.84Å; L263-F294 HydrophobicContact CG-CE2 4.04Å; L263-F294 HydrophobicContact CG-CG 4.07Å; L263-F294 HydrophobicContact CG-CZ 3.88Å; Q266-F294 CarbonylContact C-O 3.56Å; Q266-F294 VanDerWaalsContact CA-O 3.25Å; Q266-F294 WeakPolarHBondContact CA-O 3.06Å; Q266-F294 WeakPolarHBondContact CB-O 3.42Å; Q266-F294 PolarHBondContact NE2-O 2.86Å; V267-F294 PolarHBondContact N-O 3.14Å; A291-F294 WeakPolarHBondContact O-CB 3.36Å; A291-F294 PolarHBondContact O-N 3.04Å; K292-F294 PolarHBondContact O-N 3.25Å; K292-F294 VanDerWaalsContact O-N 3.14Å
295	L	98.8	Very high	98.2	Very high	21 Å²	21	32.8 Å²	32.8	11%	0.11	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.1	-176.7	-165.3	50	0	0	0	110.7	Q266 V267 I270 K292 M301	Q266-L295 PolarHBondContact NE2-O 3.45Å; Q266-L295 VanDerWaalsContact NE2-O 3.13Å; V267-L295 HydrophobicContact CG2-CD1 4.12Å; I270-L295 HydrophobicContact CD1-CB 4.13Å; I270-L295 HydrophobicContact CD1-CD2 4.33Å; I270-L295 HydrophobicContact CG1-CB 4.49Å; I270-L295 HydrophobicContact CG1-CD1 4Å; I270-L295 HydrophobicContact CG1-CD2 4.42Å; K292-L295 HydrophobicContact CG-CD2 4.38Å; K292-L295 WeakPolarHBondContact O-CB 3.42Å; K292-L295 PolarHBondContact O-N 2.84Å; L295-M301 HydrophobicContact CD2-CG 3.89Å; L295-M301 HydrophobicContact CD2-SD 4.36Å
296	K	98.7	Very high	98.2	Very high	63 Å²	63	32.7 Å²	32.7	27%	0.274	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	153.1	168.7	-69.1	170.7	-159.9	174.8	0	110.4	Q266 V267 D268 N298 G299	Q266-K296 HydrophobicContact CB-CG 3.65Å; Q266-K296 WeakPolarHBondContact O-CE 3.39Å; V267-K296 VanDerWaalsContact O-CG 3.28Å; V267-K296 WeakPolarHBondContact O-CG 3.48Å; V267-K296 PolarHBondContact O-N 2.68Å; D268-K296 WeakPolarHBondContact OD1-CD 3.4Å; D268-K296 IonicContact OD1-NZ 3.64Å; D268-K296 PolarHBondContact OD1-NZ 2.88Å; D268-K296 IonicContact OD2-NZ 2.76Å; D268-K296 PolarHBondContact OD2-NZ 2.87Å; K296-N298 PolarHBondContact O-N 3.18Å; K296-G299 WeakPolarHBondContact O-CA 3.37Å; K296-G299 PolarHBondContact O-N 2.8Å
297	P	96.8	Very high	98.3	Very high	120 Å²	120	32.8 Å²	32.8	78%	0.779	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	134.1	163.4	-24	34.3	0	0	0	110.6	G299	P297-G299 PolarHBondContact O-N 2.85Å
298	N	94.1	Very high	98.3	Very high	172 Å²	172	32.2 Å²	32.2	92%	0.92	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	62.4	14.3	-171.6	-45.3	-49.9	0	0	0	115.4	K296	K296-N298 PolarHBondContact O-N 3.18Å
299	G	97.8	Very high	98.3	Very high	13 Å²	13	33.5 Å²	33.5	13%	0.134	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	162.5	168.8	0	0	0	0	0	112.2	D268 K296 P297	D268-G299 CarbonylContact O-C 3.58Å; D268-G299 WeakPolarHBondContact O-CA 3.2Å; K296-G299 WeakPolarHBondContact O-CA 3.37Å; K296-G299 PolarHBondContact O-N 2.8Å; P297-G299 PolarHBondContact O-N 2.85Å
300	K	98.4	Very high	98.3	Very high	48 Å²	48	33.2 Å²	33.2	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	163.6	-174.5	-70.9	-162.6	175.8	-161.8	0	113.8	D198 D268 I269 I270 M412 S414	D198-K300 HydrophobicContact CB-CD 4.39Å; D198-K300 IonicContact OD1-NZ 2.99Å; D198-K300 WeakPolarHBondContact OD2-CD 3.42Å; D198-K300 WeakPolarHBondContact OD2-CE 3.36Å; D198-K300 IonicContact OD2-NZ 2.76Å; D198-K300 PolarHBondContact OD2-NZ 2.92Å; D268-K300 PolarHBondContact O-N 2.93Å; I269-K300 CarbonylContact C-O 3.56Å; I269-K300 VanDerWaalsContact CA-O 3.31Å; I269-K300 WeakPolarHBondContact CA-O 3.3Å; I269-K300 HydrophobicContact CB-CB 4.23Å; I269-K300 HydrophobicContact CD1-CB 3.85Å; I269-K300 HydrophobicContact CG1-CB 3.86Å; I270-K300 PolarHBondContact N-O 2.89Å; K300-M412 PolarHBondContact NZ-O 2.84Å; K300-S414 WeakPolarHBondContact CE-OG 3.19Å; K300-S414 PolarHBondContact NZ-OG 2.75Å
301	M	98.8	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.5	174.3	-72.3	-176.2	87.3	0	0	109.6	I270 Y288 L289 K292 L295 P303 T304 F375 L376	I270-M301 HydrophobicContact CB-CG 4.41Å; I270-M301 WeakPolarHBondContact O-CA 3.27Å; Y288-M301 HydrophobicContact CD1-CE 3.82Å; Y288-M301 HydrophobicContact CD2-CE 4.1Å; Y288-M301 HydrophobicContact CE1-CE 3.57Å; Y288-M301 HydrophobicContact CE2-CE 3.86Å; Y288-M301 HydrophobicContact CG-CE 4.09Å; Y288-M301 WeakPolarHBondContact O-CE 3.48Å; Y288-M301 WeakPolarHBondContact OH-CB 3.42Å; L289-M301 HydrophobicContact CD2-CE 4.43Å; K292-M301 HydrophobicContact CD-CE 4.17Å; K292-M301 HydrophobicContact CD-SD 3.49Å; K292-M301 WeakPolarHBondContact CD-SD 3.07Å; K292-M301 HydrophobicContact CG-CE 3.78Å; K292-M301 HydrophobicContact CG-SD 3.57Å; K292-M301 VanDerWaalsContact CG-SD 3.57Å; L295-M301 HydrophobicContact CD2-CG 3.89Å; L295-M301 HydrophobicContact CD2-SD 4.36Å; M301-P303 CarbonylContact C-O 3.57Å; M301-P303 CarbonylContact O-C 3.6Å; M301-T304 WeakPolarHBondContact O-CA 3.42Å; M301-T304 WeakPolarHBondContact O-CB 3.28Å; M301-T304 PolarHBondContact O-N 3.14Å; M301-T304 PolarHBondContact O-OG1 2.92Å; M301-F375 HydrophobicContact CE-CB 4.28Å; M301-F375 HydrophobicContact SD-CB 4.31Å; M301-F375 VanDerWaalsContact SD-O 3.38Å; M301-L376 HydrophobicContact CB-CD2 3.9Å; M301-L376 HydrophobicContact CB-CG 4.4Å; M301-L376 HydrophobicContact CG-CD2 3.73Å; M301-L376 HydrophobicContact SD-CD2 4.04Å
302	F	98.8	Very high	98.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	103.5	-179.1	-100.1	44.5	0	0	0	109.1	A191 I192 N195 F199 I269 I270 I271 S272 Y288 F411	A191-F302 HydrophobicContact CB-CE2 4.24Å; I192-F302 HydrophobicContact CG1-CD2 4.37Å; N195-F302 HydrophobicContact CB-CE2 4.42Å; N195-F302 HydrophobicContact CB-CZ 4.1Å; F199-F302 HydrophobicContact CE2-CD2 4.19Å; F199-F302 AromaticContact CE2-CE2 3.96Å; F199-F302 HydrophobicContact CE2-CE2 3.96Å; F199-F302 AromaticContact CZ-CD2 3.9Å; F199-F302 HydrophobicContact CZ-CD2 3.9Å; F199-F302 HydrophobicContact CZ-CE2 4.15Å; F199-F302 HydrophobicContact CZ-CG 4.44Å; I269-F302 HydrophobicContact CD1-CB 4.38Å; I269-F302 HydrophobicContact CD1-CD1 3.92Å; I269-F302 HydrophobicContact CD1-CE1 4.37Å; I269-F302 HydrophobicContact CD1-CG 4.07Å; I270-F302 PolarHBondContact O-N 2.89Å; I271-F302 WeakPolarHBondContact CA-O 3.27Å; I271-F302 HydrophobicContact CG2-CB 4Å; S272-F302 PolarHBondContact N-O 2.79Å; S272-F302 VanDerWaalsContact N-O 3.15Å; Y288-F302 PolarHBondContact OH-N 2.87Å; Y288-F302 PolarHBondContact OH-O 3.12Å; F302-F411 HydrophobicContact CB-CD1 3.84Å; F302-F411 HydrophobicContact CB-CE1 4.45Å; F302-F411 HydrophobicContact CD1-CB 4.38Å; F302-F411 HydrophobicContact CD2-CB 3.9Å; F302-F411 AromaticContact CD2-CD1 3.68Å; F302-F411 HydrophobicContact CD2-CD1 3.68Å; F302-F411 HydrophobicContact CD2-CG 4.19Å; F302-F411 HydrophobicContact CE1-CB 4.26Å; F302-F411 HydrophobicContact CE2-CB 3.78Å; F302-F411 HydrophobicContact CE2-CD1 4.41Å; F302-F411 HydrophobicContact CE2-CG 4.48Å; F302-F411 HydrophobicContact CG-CB 4.19Å; F302-F411 AromaticContact CG-CD1 3.79Å; F302-F411 HydrophobicContact CG-CD1 3.79Å; F302-F411 HydrophobicContact CG-CG 4.49Å; F302-F411 HydrophobicContact CZ-CB 3.96Å
303	P	98.8	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	S	Bend	cis	-69.6	157	4.6	30	-36.3	0	0	0	113.7	S272 M275 Y288 M301 F375 V409 F411	S272-P303 WeakPolarHBondContact O-CD 3.35Å; M275-P303 HydrophobicContact SD-CG 4.07Å; Y288-P303 HydrophobicContact CE1-CG 4.43Å; Y288-P303 PolarHBondContact OH-O 3.16Å; M301-P303 CarbonylContact C-O 3.57Å; M301-P303 CarbonylContact O-C 3.6Å; P303-F375 HydrophobicContact CB-CD2 4.49Å; P303-F375 HydrophobicContact CB-CE2 4.25Å; P303-F375 HydrophobicContact CG-CD2 4.31Å; P303-F375 HydrophobicContact CG-CE2 4.01Å; P303-V409 HydrophobicContact CB-CB 3.77Å; P303-V409 HydrophobicContact CB-CG1 4.4Å; P303-V409 HydrophobicContact CB-CG2 4.07Å; P303-V409 HydrophobicContact CG-CB 4.36Å; P303-F411 HydrophobicContact CB-CD1 4.19Å; P303-F411 HydrophobicContact CB-CE1 3.9Å; P303-F411 HydrophobicContact CB-CZ 4.34Å
304	T	98.8	Very high	98.4	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.043	15%	0.147	C	C	.	.			trans	-96.4	-42.1	-177.5	-42.9	0	0	0	0	112	M301 F375 L376 A410 M412	M301-T304 WeakPolarHBondContact O-CA 3.42Å; M301-T304 WeakPolarHBondContact O-CB 3.28Å; M301-T304 PolarHBondContact O-N 3.14Å; M301-T304 PolarHBondContact O-OG1 2.92Å; T304-F375 WeakPolarHBondContact O-CB 3.37Å; T304-F375 WeakPolarHBondContact O-CD2 3.19Å; T304-F375 PolarHBondContact O-N 2.96Å; T304-L376 HydrophobicContact CG2-CD1 3.55Å; T304-L376 HydrophobicContact CG2-CG 3.96Å; T304-A410 WeakPolarHBondContact CB-O 3.3Å; T304-A410 PolarHBondContact N-O 3.39Å; T304-M412 HydrophobicContact CG2-CB 4.06Å; T304-M412 HydrophobicContact CG2-CG 4.34Å; T304-M412 HydrophobicContact CG2-SD 4.29Å; T304-M412 PolarHBondContact OG1-N 2.94Å
305	I	98.8	Very high	98.3	Very high	23 Å²	23	27.2 Å²	27.2	12%	0.118	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.7	175.8	68.7	175.7	0	0	0	110.1	T372 V373 N374 F375 V409 A410 M412 W419	I305-T372 HydrophobicContact CB-CG2 4.35Å; I305-T372 HydrophobicContact CD1-CG2 4.45Å; I305-V373 CarbonylContact C-O 3.56Å; I305-V373 VanDerWaalsContact CA-O 3.28Å; I305-V373 WeakPolarHBondContact CA-O 3.42Å; I305-N374 HydrophobicContact CG2-CB 4.23Å; I305-F375 VanDerWaalsContact C-CE2 3.42Å; I305-V409 WeakPolarHBondContact O-CA 3.24Å; I305-A410 HydrophobicContact CD1-CB 4.05Å; I305-A410 HydrophobicContact CG1-CB 3.64Å; I305-A410 PolarHBondContact N-O 2.84Å; I305-A410 PolarHBondContact O-N 2.96Å; I305-M412 HydrophobicContact CD1-SD 4.3Å; I305-M412 HydrophobicContact CG1-SD 4.5Å; I305-M412 HydrophobicContact CG2-SD 4.12Å; I305-W419 HydrophobicContact CD1-CH2 4Å
306	G	98.7	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.9	168.5	0	0	0	0	0	110.8	T372 V373 D408	G306-T372 WeakPolarHBondContact O-CA 3.44Å; G306-V373 PolarHBondContact N-O 3.47Å; G306-V373 PolarHBondContact O-N 3.02Å; G306-D408 CarbonylContact C-O 3.59Å; G306-D408 WeakPolarHBondContact CA-O 3.34Å
307	D	98.8	Very high	98	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.1	176.9	-80.6	-33.8	0	0	0	109.3	K370 T372 F407 D408 W419	D307-K370 HydrophobicContact CB-CD 3.88Å; D307-K370 HydrophobicContact CB-CG 4.01Å; D307-K370 VanDerWaalsContact CG-CD 3.48Å; D307-K370 VanDerWaalsContact OD1-CE 3.26Å; D307-K370 WeakPolarHBondContact OD1-CE 3.43Å; D307-K370 IonicContact OD1-NZ 3.83Å; D307-K370 PolarHBondContact OD1-NZ 3.31Å; D307-K370 IonicContact OD2-NZ 2.69Å; D307-K370 PolarHBondContact OD2-NZ 3.12Å; D307-T372 VanDerWaalsContact OD1-CB 3.24Å; D307-T372 WeakPolarHBondContact OD1-CB 3.38Å; D307-T372 VanDerWaalsContact OD1-CG2 3.28Å; D307-T372 WeakPolarHBondContact OD1-CG2 3.37Å; D307-T372 PolarHBondContact OD1-OG1 3.33Å; D307-F407 CarbonylContact O-C 3.46Å; D307-F407 WeakPolarHBondContact O-CA 3.5Å; D307-F407 WeakPolarHBondContact O-CB 3.37Å; D307-D408 HydrophobicContact CB-CB 4.43Å; D307-D408 PolarHBondContact N-O 2.91Å; D307-D408 PolarHBondContact O-N 2.74Å; D307-W419 WeakPolarHBondContact OD2-CH2 3.44Å; D307-W419 WeakPolarHBondContact OD2-CZ3 3.43Å
308	V	98.7	Very high	98	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.7	169.3	179.6	0	0	0	0	109.3	L279 F280 K370 Y371 F405 F407	L279-V308 HydrophobicContact CB-CG2 3.68Å; L279-V308 HydrophobicContact CD2-CG2 3.55Å; L279-V308 HydrophobicContact CG-CG2 4.24Å; F280-V308 HydrophobicContact CD2-CG2 4.44Å; F280-V308 HydrophobicContact CE2-CB 4.46Å; F280-V308 HydrophobicContact CE2-CG2 3.58Å; F280-V308 HydrophobicContact CZ-CG2 3.7Å; V308-K370 CarbonylContact O-C 3.59Å; V308-K370 WeakPolarHBondContact O-CA 3.16Å; V308-Y371 PolarHBondContact N-O 3.49Å; V308-Y371 PolarHBondContact O-N 3.07Å; V308-F405 HydrophobicContact CG1-CD1 4.4Å; V308-F407 HydrophobicContact CG2-CB 4.33Å
309	H	98.9	Very high	98.1	Very high	27 Å²	27	20.5 Å²	20.5	13%	0.125	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.1	175.6	-75.3	-111.6	0	0	0	110.1	S368 V369 K370 F405 W406 D408	H309-S368 PolarHBondContact ND1-OG 3.13Å; H309-V369 WeakPolarHBondContact CA-O 3.32Å; H309-K370 WeakPolarHBondContact NE2-CD 3.36Å; H309-K370 WeakPolarHBondContact NE2-CG 3.49Å; H309-F405 VanDerWaalsContact O-CA 3.3Å; H309-F405 WeakPolarHBondContact O-CA 3.23Å; H309-W406 HydrophobicContact CB-CD2 3.74Å; H309-W406 HydrophobicContact CB-CE3 4.47Å; H309-W406 HydrophobicContact CB-CG 4.01Å; H309-W406 HydrophobicContact CB-CH2 4.46Å; H309-W406 HydrophobicContact CB-CZ2 3.72Å; H309-W406 VanDerWaalsContact CB-NE1 3.27Å; H309-W406 AromaticContact CG-CE2 3.87Å; H309-W406 AromaticContact CG-NE1 3.44Å; H309-W406 PolarHBondContact N-O 2.7Å; H309-W406 AromaticContact ND1-NE1 3.86Å; H309-W406 PolarHBondContact O-N 3.05Å; H309-D408 IonicContact NE2-OD2 3.39Å
310	L	98.7	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.8	171.5	58.5	155.8	0	0	0	110.9	S368 V369 I388 F390 F392 L403 A404 F405	L310-S368 CarbonylContact O-C 3.52Å; L310-S368 WeakPolarHBondContact O-CA 3.38Å; L310-S368 WeakPolarHBondContact O-CB 3.22Å; L310-V369 HydrophobicContact CD2-CB 4.26Å; L310-V369 HydrophobicContact CD2-CG1 4.25Å; L310-V369 HydrophobicContact CG-CB 4.28Å; L310-V369 PolarHBondContact N-O 3.45Å; L310-V369 PolarHBondContact O-N 3.2Å; L310-I388 HydrophobicContact CD1-CG2 4.37Å; L310-I388 HydrophobicContact CD2-CG2 3.58Å; L310-F390 HydrophobicContact CD1-CB 3.99Å; L310-F390 HydrophobicContact CD1-CD1 3.59Å; L310-F390 HydrophobicContact CD1-CE1 4.36Å; L310-F390 HydrophobicContact CD1-CG 4.04Å; L310-F392 HydrophobicContact CD1-CZ 4.06Å; L310-F392 HydrophobicContact CG-CZ 4.01Å; L310-F392 WeakPolarHBondContact O-CE1 3.46Å; L310-F392 WeakPolarHBondContact O-CZ 3.34Å; L310-L403 HydrophobicContact CD1-CD1 4.18Å; L310-A404 CarbonylContact C-O 3.51Å; L310-A404 VanDerWaalsContact CA-O 3.25Å; L310-A404 WeakPolarHBondContact CA-O 3.44Å; L310-F405 HydrophobicContact CB-CD1 3.64Å; L310-F405 HydrophobicContact CB-CE1 3.56Å; L310-F405 HydrophobicContact CB-CG 4.44Å; L310-F405 HydrophobicContact CB-CZ 4.29Å; L310-F405 HydrophobicContact CD1-CE1 4.19Å; L310-F405 HydrophobicContact CG-CE1 4.36Å
311	A	98.8	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.2	177.9	0	0	0	0	0	111.9	L364 L403 A404 W406	A311-L364 HydrophobicContact CB-CD1 4.43Å; A311-L364 HydrophobicContact CB-CD2 4Å; A311-L403 WeakPolarHBondContact O-CA 3.34Å; A311-A404 PolarHBondContact N-O 2.98Å; A311-A404 PolarHBondContact O-N 3.46Å; A311-W406 HydrophobicContact CB-CH2 3.85Å; A311-W406 HydrophobicContact CB-CZ3 4.04Å
312	P	98.8	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	139.3	174.8	29.9	-33.7	0	0	0	110.6	M365 A366 F392 M394 V400 G402 L403 L450	P312-M365 HydrophobicContact CG-CB 4.4Å; P312-M365 PolarHBondContact O-N 3.37Å; P312-A366 HydrophobicContact CG-CB 3.71Å; P312-F392 HydrophobicContact CG-CB 4.18Å; P312-F392 HydrophobicContact CG-CD1 4.25Å; P312-F392 HydrophobicContact CG-CD2 4.13Å; P312-F392 HydrophobicContact CG-CG 3.94Å; P312-M394 HydrophobicContact CG-CE 4.25Å; P312-M394 HydrophobicContact CG-SD 4.11Å; P312-V400 HydrophobicContact CB-CG1 3.68Å; P312-V400 HydrophobicContact CB-CG2 4.47Å; P312-G402 WeakPolarHBondContact CA-O 3.38Å; P312-L403 HydrophobicContact CB-CD2 4.22Å; P312-L450 HydrophobicContact CB-CD2 3.88Å; P312-L450 HydrophobicContact CG-CD2 4.44Å
313	F	98.7	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	160.7	178.9	74.4	-93.1	0	0	0	113.5	D315 L318 I363 L364 H401 G402 A404 R435 L437	F313-D315 HydrophobicContact CD2-CB 3.87Å; F313-D315 HydrophobicContact CE2-CB 3.86Å; F313-L318 HydrophobicContact CE2-CD2 4.22Å; F313-L318 HydrophobicContact CZ-CD2 4.26Å; F313-I363 CarbonylContact C-O 3.59Å; F313-I363 VanDerWaalsContact CA-O 3.25Å; F313-I363 WeakPolarHBondContact CA-O 3.35Å; F313-I363 HydrophobicContact CB-CD1 3.88Å; F313-I363 HydrophobicContact CB-CG1 4.02Å; F313-I363 HydrophobicContact CD2-CD1 4.02Å; F313-I363 HydrophobicContact CG-CD1 4.16Å; F313-L364 HydrophobicContact CB-CD2 4.17Å; F313-H401 HydrophobicContact CD2-CB 4.35Å; F313-H401 HydrophobicContact CE2-CB 3.97Å; F313-H401 PolarHBondContact O-N 2.92Å; F313-G402 VanDerWaalsContact CD1-C 3.43Å; F313-G402 WeakPolarHBondContact CD1-O 3.48Å; F313-G402 VanDerWaalsContact CE1-CA 3.46Å; F313-G402 PolarHBondContact N-O 2.53Å; F313-A404 HydrophobicContact CD1-CB 3.86Å; F313-R435 HydrophobicContact CE1-CB 3.83Å; F313-R435 HydrophobicContact CE1-CG 4.17Å; F313-R435 HydrophobicContact CZ-CB 3.93Å; F313-R435 HydrophobicContact CZ-CG 4.45Å; F313-L437 HydrophobicContact CE2-CD2 4.23Å; F313-L437 HydrophobicContact CZ-CD2 3.87Å
314	T	98.4	Very high	97.5	Very high	41 Å²	41	31.1 Å²	31.1	25%	0.252	16%	0.157	S	C	.	.			trans	-119.4	117.8	169.1	-163.6	0	0	0	0	111.3	I363 M365 L399 H401	T314-I363 PolarHBondContact N-O 3.42Å; T314-I363 WeakPolarHBondContact O-CB 3.22Å; T314-M365 HydrophobicContact CG2-CG 4.18Å; T314-M365 HydrophobicContact CG2-SD 4.24Å; T314-L399 WeakPolarHBondContact CB-O 3.14Å; T314-L399 PolarHBondContact OG1-O 2.77Å; T314-H401 PolarHBondContact OG1-ND1 3.14Å
315	D	97.7	Very high	97.2	Very high	29 Å²	29	33.2 Å²	33.2	16%	0.155	17%	0.166	C	C	.	.			trans	-149.6	88.1	175	-172.5	-16.7	0	0	0	108.9	F313 Q317 L318 Y319 H401 R435	F313-D315 HydrophobicContact CD2-CB 3.87Å; F313-D315 HydrophobicContact CE2-CB 3.86Å; D315-Q317 VanDerWaalsContact C-N 3.25Å; D315-Q317 PolarHBondContact O-N 3.24Å; D315-Q317 PolarHBondContact OD1-N 3Å; D315-Q317 VanDerWaalsContact OD1-N 3.17Å; D315-L318 HydrophobicContact CB-CB 4.04Å; D315-L318 VanDerWaalsContact CG-CB 3.42Å; D315-L318 PolarHBondContact O-N 2.8Å; D315-L318 PolarHBondContact OD1-N 3.43Å; D315-L318 WeakPolarHBondContact OD2-CB 3.47Å; D315-Y319 PolarHBondContact O-N 2.75Å; D315-Y319 VanDerWaalsContact O-N 3.14Å; D315-H401 PolarHBondContact N-ND1 2.85Å; D315-H401 VanDerWaalsContact N-ND1 3.19Å; D315-R435 IonicContact OD2-CZ 3.25Å; D315-R435 IonicContact OD2-NH1 2.8Å; D315-R435 PolarHBondContact OD2-NH1 2.94Å; D315-R435 IonicContact OD2-NH2 3.86Å
316	E	96	Very high	97.1	Very high	88 Å²	88	32.1 Å²	32.1	41%	0.411	16%	0.16	S	C	.	.	H	α-helix	trans	-59.7	-36.3	177.4	-174.4	71.5	-138.3	0	0	111.6	Y319 M320 H401	E316-Y319 PolarHBondContact O-N 3.11Å; E316-M320 HydrophobicContact CG-CG 4.46Å; E316-M320 WeakPolarHBondContact O-CB 3.45Å; E316-M320 WeakPolarHBondContact O-CG 3.33Å; E316-M320 PolarHBondContact O-N 2.86Å; E316-M320 WeakPolarHBondContact OE1-CE 3.36Å; E316-H401 IonicContact OE2-CE1 2.82Å; E316-H401 PolarHBondContact OE2-CE1 3.17Å; E316-H401 IonicContact OE2-NE2 2.82Å; E316-H401 PolarHBondContact OE2-NE2 3.31Å
317	Q	95.1	Very high	96.9	Very high	128 Å²	128	35.2 Å²	35.2	60%	0.598	18%	0.177	S	C	*	.	H	α-helix	trans	-67	-46.6	-178	-174	-179.3	4.5	0	0	110.5	D315 Y319 E321	D315-Q317 VanDerWaalsContact C-N 3.25Å; D315-Q317 PolarHBondContact O-N 3.24Å; D315-Q317 PolarHBondContact OD1-N 3Å; D315-Q317 VanDerWaalsContact OD1-N 3.17Å; Q317-Y319 VanDerWaalsContact C-N 3.34Å; Q317-E321 WeakPolarHBondContact O-CB 3.31Å; Q317-E321 PolarHBondContact O-N 3Å
318	L	96.2	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-41.6	175.5	176.2	65.9	0	0	0	112.1	F313 D315 E321 Q322 I355 R435 L437	F313-L318 HydrophobicContact CE2-CD2 4.22Å; F313-L318 HydrophobicContact CZ-CD2 4.26Å; D315-L318 HydrophobicContact CB-CB 4.04Å; D315-L318 VanDerWaalsContact CG-CB 3.42Å; D315-L318 PolarHBondContact O-N 2.8Å; D315-L318 PolarHBondContact OD1-N 3.43Å; D315-L318 WeakPolarHBondContact OD2-CB 3.47Å; L318-E321 WeakPolarHBondContact O-CB 3.16Å; L318-Q322 PolarHBondContact O-NE2 3.02Å; L318-I355 HydrophobicContact CD1-CD1 4.46Å; L318-I355 HydrophobicContact CD1-CG1 4.11Å; L318-I355 HydrophobicContact CD1-CG2 3.97Å; L318-I355 HydrophobicContact CD2-CG1 4.2Å; L318-I355 HydrophobicContact CD2-CG2 4.47Å; L318-R435 HydrophobicContact CD2-CB 4.49Å; L318-L437 HydrophobicContact CD2-CD2 4.06Å; L318-L437 HydrophobicContact CG-CD1 4.4Å; L318-L437 HydrophobicContact CG-CD2 4.26Å
319	Y	97.3	Very high	96.8	Very high	20 Å²	20	43.2 Å²	43.2	8%	0.078	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-47.6	179.9	-178.6	-92.4	0	0	0	111.3	D315 E316 Q317 E321 Q322 F323 F351 H401 L437 Q439 P441	D315-Y319 PolarHBondContact O-N 2.75Å; D315-Y319 VanDerWaalsContact O-N 3.14Å; E316-Y319 PolarHBondContact O-N 3.11Å; Q317-Y319 VanDerWaalsContact C-N 3.34Å; Y319-E321 VanDerWaalsContact C-N 3.34Å; Y319-E321 PolarHBondContact O-N 2.94Å; Y319-Q322 PolarHBondContact O-N 3.2Å; Y319-F323 HydrophobicContact CD1-CD2 4.38Å; Y319-F323 HydrophobicContact CD1-CE2 4.23Å; Y319-F323 HydrophobicContact CE1-CD2 4.02Å; Y319-F323 AromaticContact CE1-CE2 3.5Å; Y319-F323 HydrophobicContact CE1-CE2 3.5Å; Y319-F323 VanDerWaalsContact CE1-CE2 3.5Å; Y319-F323 HydrophobicContact CE2-CE2 4.37Å; Y319-F323 AromaticContact CZ-CE2 3.57Å; Y319-F351 AromaticContact CD2-CE1 3.69Å; Y319-F351 HydrophobicContact CD2-CE1 3.69Å; Y319-F351 AromaticContact CD2-CZ 3.79Å; Y319-F351 HydrophobicContact CD2-CZ 3.79Å; Y319-F351 AromaticContact CE2-CE1 3.46Å; Y319-F351 HydrophobicContact CE2-CE1 3.46Å; Y319-F351 VanDerWaalsContact CE2-CE1 3.46Å; Y319-F351 AromaticContact CE2-CZ 3.54Å; Y319-F351 HydrophobicContact CE2-CZ 3.54Å; Y319-F351 HydrophobicContact CG-CZ 4.44Å; Y319-H401 VanDerWaalsContact CB-CD2 3.48Å; Y319-H401 WeakPolarHBondContact CB-CD2 3.38Å; Y319-H401 AromaticContact CD2-CD2 3.8Å; Y319-H401 AromaticContact CG-CD2 3.55Å; Y319-L437 HydrophobicContact CD2-CD2 4.35Å; Y319-Q439 PolarHBondContact OH-O 3.27Å; Y319-Q439 VanDerWaalsContact OH-O 3.07Å; Y319-P441 HydrophobicContact CE2-CG 4.46Å; Y319-P441 VanDerWaalsContact OH-CD 3.31Å; Y319-P441 WeakPolarHBondContact OH-CD 3.44Å
320	M	96.4	Very high	96.6	Very high	87 Å²	87	48.6 Å²	48.6	43%	0.429	23%	0.229	S	C	.	.	H	α-helix	trans	-68.4	-30.1	178.3	-71.3	-63.3	165.7	0	0	113.3	E316 Q322 F323 T324	E316-M320 HydrophobicContact CG-CG 4.46Å; E316-M320 WeakPolarHBondContact O-CB 3.45Å; E316-M320 WeakPolarHBondContact O-CG 3.33Å; E316-M320 PolarHBondContact O-N 2.86Å; E316-M320 WeakPolarHBondContact OE1-CE 3.36Å; M320-Q322 PolarHBondContact O-N 2.82Å; M320-F323 PolarHBondContact O-N 2.83Å; M320-F323 VanDerWaalsContact O-N 3.09Å; M320-T324 PolarHBondContact O-N 2.66Å; M320-T324 PolarHBondContact O-OG1 2.81Å
321	E	96.1	Very high	96.5	Very high	47 Å²	47	51.8 Å²	51.8	22%	0.22	24%	0.244	C	C	.	.	H	α-helix	trans	-55	-36.3	174.5	-169.1	-168.9	120.6	0	0	112.2	Q317 L318 Y319 T324 K325 R491	Q317-E321 WeakPolarHBondContact O-CB 3.31Å; Q317-E321 PolarHBondContact O-N 3Å; L318-E321 WeakPolarHBondContact O-CB 3.16Å; Y319-E321 VanDerWaalsContact C-N 3.34Å; Y319-E321 PolarHBondContact O-N 2.94Å; E321-T324 PolarHBondContact O-N 3.38Å; E321-K325 WeakPolarHBondContact O-CG 3.4Å; E321-K325 PolarHBondContact O-N 2.96Å; E321-K325 VanDerWaalsContact OE1-CE 3.28Å; E321-K325 WeakPolarHBondContact OE1-CE 3.47Å; E321-K325 IonicContact OE1-NZ 2.81Å; E321-K325 PolarHBondContact OE1-NZ 2.82Å; E321-R491 IonicContact OE1-NE 3.42Å; E321-R491 IonicContact OE2-CZ 2.65Å; E321-R491 IonicContact OE2-NE 1.9Å; E321-R491 PolarHBondContact OE2-NE 3.32Å; E321-R491 IonicContact OE2-NH2 2.92Å; E321-R491 PolarHBondContact OE2-NH2 3.4Å
322	Q	95.5	Very high	96.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.3	-39.3	178.7	-48.3	-32.9	-48.5	0	0	111.6	L318 Y319 M320 K325 A326 F351 L437	L318-Q322 PolarHBondContact O-NE2 3.02Å; Y319-Q322 PolarHBondContact O-N 3.2Å; M320-Q322 PolarHBondContact O-N 2.82Å; Q322-K325 PolarHBondContact O-N 2.74Å; Q322-A326 WeakPolarHBondContact O-CB 3.26Å; Q322-A326 PolarHBondContact O-N 3.23Å; Q322-F351 HydrophobicContact CB-CD2 4.1Å; Q322-F351 HydrophobicContact CB-CE2 3.63Å; Q322-F351 HydrophobicContact CB-CZ 4.11Å; Q322-F351 HydrophobicContact CG-CE2 4.32Å; Q322-F351 HydrophobicContact CG-CZ 4.43Å; Q322-L437 HydrophobicContact CG-CD1 3.61Å
323	F	94.1	Very high	96.2	Very high	49 Å²	49	60.6 Å²	60.6	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-38.8	172	-76.3	-80.3	0	0	0	112.1	Y319 M320 K325 A326 N327 V347 F351	Y319-F323 HydrophobicContact CD1-CD2 4.38Å; Y319-F323 HydrophobicContact CD1-CE2 4.23Å; Y319-F323 HydrophobicContact CE1-CD2 4.02Å; Y319-F323 AromaticContact CE1-CE2 3.5Å; Y319-F323 HydrophobicContact CE1-CE2 3.5Å; Y319-F323 VanDerWaalsContact CE1-CE2 3.5Å; Y319-F323 HydrophobicContact CE2-CE2 4.37Å; Y319-F323 AromaticContact CZ-CE2 3.57Å; M320-F323 PolarHBondContact O-N 2.83Å; M320-F323 VanDerWaalsContact O-N 3.09Å; F323-K325 VanDerWaalsContact C-N 3.35Å; F323-K325 PolarHBondContact O-N 3.17Å; F323-A326 PolarHBondContact O-N 2.82Å; F323-N327 VanDerWaalsContact O-CB 3.27Å; F323-N327 WeakPolarHBondContact O-CB 3.24Å; F323-N327 PolarHBondContact O-N 1.9Å; F323-N327 PolarHBondContact O-ND2 3.28Å; F323-N327 VanDerWaalsContact O-ND2 3.15Å; F323-N327 PolarHBondContact O-OD1 2.7Å; F323-V347 HydrophobicContact CD1-CG2 4.24Å; F323-V347 HydrophobicContact CE1-CG1 4.06Å; F323-V347 HydrophobicContact CE1-CG2 4.15Å; F323-V347 HydrophobicContact CZ-CG1 4.28Å; F323-F351 HydrophobicContact CD2-CE2 4.07Å; F323-F351 HydrophobicContact CD2-CZ 4.13Å; F323-F351 AromaticContact CE2-CE2 3.62Å; F323-F351 HydrophobicContact CE2-CE2 3.62Å; F323-F351 AromaticContact CE2-CZ 3.54Å; F323-F351 HydrophobicContact CE2-CZ 3.54Å; F323-F351 HydrophobicContact CZ-CE2 4.01Å; F323-F351 HydrophobicContact CZ-CZ 4.22Å
324	T	96.2	Very high	96	Very high	103 Å²	103	64 Å²	64	63%	0.632	32%	0.318	S	S	*	.	H	α-helix	trans	-60	-44	174.9	-56.8	0	0	0	0	111.5	M320 E321	M320-T324 PolarHBondContact O-N 2.66Å; M320-T324 PolarHBondContact O-OG1 2.81Å; E321-T324 PolarHBondContact O-N 3.38Å
325	K	94.3	Very high	95.9	Very high	50 Å²	50	70.1 Å²	70.1	22%	0.217	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-50.9	173.3	-67.5	168.4	-170.7	160.2	0	111.5	E321 Q322 F323 N327 F328 Y350 F489	E321-K325 WeakPolarHBondContact O-CG 3.4Å; E321-K325 PolarHBondContact O-N 2.96Å; E321-K325 VanDerWaalsContact OE1-CE 3.28Å; E321-K325 WeakPolarHBondContact OE1-CE 3.47Å; E321-K325 IonicContact OE1-NZ 2.81Å; E321-K325 PolarHBondContact OE1-NZ 2.82Å; Q322-K325 PolarHBondContact O-N 2.74Å; F323-K325 VanDerWaalsContact C-N 3.35Å; F323-K325 PolarHBondContact O-N 3.17Å; K325-N327 VanDerWaalsContact C-N 3.26Å; K325-N327 PolarHBondContact O-N 2.91Å; K325-F328 VanDerWaalsContact O-CB 3.25Å; K325-F328 WeakPolarHBondContact O-CB 3.41Å; K325-F328 PolarHBondContact O-N 2.82Å; K325-F328 VanDerWaalsContact O-N 3.09Å; K325-Y350 HydrophobicContact CB-CD1 4.43Å; K325-Y350 HydrophobicContact CB-CD2 4.02Å; K325-Y350 HydrophobicContact CB-CE1 4.12Å; K325-Y350 HydrophobicContact CB-CE2 3.69Å; K325-Y350 HydrophobicContact CB-CG 4.4Å; K325-Y350 HydrophobicContact CD-CD1 4.15Å; K325-Y350 HydrophobicContact CD-CE1 4.14Å; K325-F489 VanDerWaalsContact NZ-CZ 3.31Å
326	A	95.8	Very high	95.8	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-32	-179.8	0	0	0	0	0	113.6	Q322 F323 F328 W329 A346 V347 Y350	Q322-A326 WeakPolarHBondContact O-CB 3.26Å; Q322-A326 PolarHBondContact O-N 3.23Å; F323-A326 PolarHBondContact O-N 2.82Å; A326-F328 PolarHBondContact O-N 2.7Å; A326-W329 WeakPolarHBondContact O-CB 3.28Å; A326-W329 PolarHBondContact O-N 2.93Å; A326-A346 HydrophobicContact CB-CB 4.38Å; A326-V347 HydrophobicContact CB-CB 4.36Å; A326-V347 HydrophobicContact CB-CG2 3.45Å; A326-V347 VanDerWaalsContact CB-CG2 3.45Å; A326-Y350 HydrophobicContact CB-CD2 3.95Å; A326-Y350 HydrophobicContact CB-CE2 4.19Å
327	N	95.6	Very high	95.9	Very high	65 Å²	65	71.5 Å²	71.5	35%	0.348	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-66.8	-11.7	177.7	-71.6	-20.3	0	0	0	113.4	F323 K325 W329 Y330 R343	F323-N327 VanDerWaalsContact O-CB 3.27Å; F323-N327 WeakPolarHBondContact O-CB 3.24Å; F323-N327 PolarHBondContact O-N 1.9Å; F323-N327 PolarHBondContact O-ND2 3.28Å; F323-N327 VanDerWaalsContact O-ND2 3.15Å; F323-N327 PolarHBondContact O-OD1 2.7Å; K325-N327 VanDerWaalsContact C-N 3.26Å; K325-N327 PolarHBondContact O-N 2.91Å; N327-W329 PolarHBondContact O-N 2.84Å; N327-Y330 PolarHBondContact O-N 3.07Å; N327-R343 PolarHBondContact OD1-NE 3.38Å; N327-R343 PolarHBondContact OD1-NH2 2.69Å
328	F	96.5	Very high	96	Very high	93 Å²	93	69.7 Å²	69.7	41%	0.408	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-52.7	-41.4	164	172.6	-96.2	0	0	0	111.4	K325 A326 Y330 Q331 F334 L339	K325-F328 VanDerWaalsContact O-CB 3.25Å; K325-F328 WeakPolarHBondContact O-CB 3.41Å; K325-F328 PolarHBondContact O-N 2.82Å; K325-F328 VanDerWaalsContact O-N 3.09Å; A326-F328 PolarHBondContact O-N 2.7Å; F328-Y330 VanDerWaalsContact C-N 3.26Å; F328-Y330 PolarHBondContact O-N 3.43Å; F328-Q331 VanDerWaalsContact O-CG 3.3Å; F328-Q331 WeakPolarHBondContact O-CG 3.47Å; F328-Q331 PolarHBondContact O-NE2 3.44Å; F328-F334 HydrophobicContact CE2-CD2 4.43Å; F328-F334 AromaticContact CE2-CE2 3.95Å; F328-F334 HydrophobicContact CE2-CE2 3.95Å; F328-F334 HydrophobicContact CE2-CZ 4.45Å; F328-F334 HydrophobicContact CZ-CD2 4.27Å; F328-F334 HydrophobicContact CZ-CE1 4.47Å; F328-F334 AromaticContact CZ-CE2 3.77Å; F328-F334 HydrophobicContact CZ-CE2 3.77Å; F328-F334 AromaticContact CZ-CZ 3.87Å; F328-F334 HydrophobicContact CZ-CZ 3.87Å; F328-L339 HydrophobicContact CE1-CD1 4.27Å
329	W	97.3	Very high	96.1	Very high	80 Å²	80	71 Å²	71	30%	0.303	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-75	-13.7	178.3	-60.7	91	0	0	0	113	A326 N327 Q331 L339 S340 L342 R343 A346	A326-W329 WeakPolarHBondContact O-CB 3.28Å; A326-W329 PolarHBondContact O-N 2.93Å; N327-W329 PolarHBondContact O-N 2.84Å; W329-Q331 PolarHBondContact O-N 3.14Å; W329-L339 HydrophobicContact CE3-CB 4.25Å; W329-L339 HydrophobicContact CE3-CD1 4.2Å; W329-L339 CarbonylContact O-C 3.48Å; W329-L339 VanDerWaalsContact O-CB 3.23Å; W329-L339 WeakPolarHBondContact O-CB 3.47Å; W329-L339 VanDerWaalsContact O-O 3.12Å; W329-S340 VanDerWaalsContact O-CA 3.22Å; W329-S340 WeakPolarHBondContact O-CA 3.27Å; W329-S340 PolarHBondContact O-N 2.66Å; W329-S340 VanDerWaalsContact O-N 3.15Å; W329-L342 HydrophobicContact CD2-CB 4.46Å; W329-L342 HydrophobicContact CE3-CB 3.92Å; W329-L342 HydrophobicContact CE3-CD1 3.99Å; W329-L342 HydrophobicContact CZ3-CB 4.48Å; W329-L342 HydrophobicContact CZ3-CD1 3.74Å; W329-R343 HydrophobicContact CB-CB 4.42Å; W329-A346 HydrophobicContact CB-CB 4.49Å; W329-A346 HydrophobicContact CG-CB 3.88Å
330	Y	95.8	Very high	96.1	Very high	141 Å²	141	71.8 Å²	71.8	55%	0.553	38%	0.381	S	S	*	.			trans	-86	47.2	179.7	-158.6	-125.4	0	0	0	112.4	N327 F328 R343	N327-Y330 PolarHBondContact O-N 3.07Å; F328-Y330 VanDerWaalsContact C-N 3.26Å; F328-Y330 PolarHBondContact O-N 3.43Å; Y330-R343 HydrophobicContact CD2-CB 4.29Å; Y330-R343 HydrophobicContact CD2-CG 4.3Å; Y330-R343 HydrophobicContact CG-CG 4.45Å
331	Q	95.4	Very high	96.1	Very high	67 Å²	67	72.2 Å²	72.2	31%	0.313	40%	0.398	S	S	.	.			trans	-114.7	116.3	-179.6	-70.7	-179.5	48.3	0	0	110	F328 W329 S333 F334 L339	F328-Q331 VanDerWaalsContact O-CG 3.3Å; F328-Q331 WeakPolarHBondContact O-CG 3.47Å; F328-Q331 PolarHBondContact O-NE2 3.44Å; W329-Q331 PolarHBondContact O-N 3.14Å; Q331-S333 PolarHBondContact O-N 2.98Å; Q331-F334 HydrophobicContact CB-CB 4.25Å; Q331-L339 PolarHBondContact O-N 2.77Å
332	P	95.8	Very high	96.2	Very high	102 Å²	102	74.3 Å²	74.3	66%	0.662	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.6	-178.5	31.2	-36.1	0	0	0	114.1
333	S	95.8	Very high	96.3	Very high	83 Å²	83	78.1 Å²	78.1	58%	0.58	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.5	54	-179.7	-161	0	0	0	0	112.3	Q331 H335 G336 V337	Q331-S333 PolarHBondContact O-N 2.98Å; S333-H335 PolarHBondContact O-N 3.38Å; S333-H335 VanDerWaalsContact O-N 3.12Å; S333-G336 WeakPolarHBondContact OG-CA 3.12Å; S333-V337 CarbonylContact C-O 3.58Å; S333-V337 WeakPolarHBondContact CA-O 3.25Å
334	F	95.3	Very high	96.4	Very high	71 Å²	71	78 Å²	78	31%	0.311	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-69.1	106.2	169.5	-179.5	-105.1	0	0	0	109	F328 Q331 G336 V337 L339	F328-F334 HydrophobicContact CE2-CD2 4.43Å; F328-F334 AromaticContact CE2-CE2 3.95Å; F328-F334 HydrophobicContact CE2-CE2 3.95Å; F328-F334 HydrophobicContact CE2-CZ 4.45Å; F328-F334 HydrophobicContact CZ-CD2 4.27Å; F328-F334 HydrophobicContact CZ-CE1 4.47Å; F328-F334 AromaticContact CZ-CE2 3.77Å; F328-F334 HydrophobicContact CZ-CE2 3.77Å; F328-F334 AromaticContact CZ-CZ 3.87Å; F328-F334 HydrophobicContact CZ-CZ 3.87Å; Q331-F334 HydrophobicContact CB-CB 4.25Å; F334-G336 PolarHBondContact O-N 3.5Å; F334-G336 VanDerWaalsContact O-N 3.14Å; F334-V337 PolarHBondContact N-O 2.9Å; F334-V337 PolarHBondContact O-N 2.87Å; F334-L339 HydrophobicContact CB-CD1 3.6Å; F334-L339 HydrophobicContact CB-CG 3.85Å; F334-L339 HydrophobicContact CD1-CD1 3.71Å; F334-L339 HydrophobicContact CD1-CG 4.41Å; F334-L339 HydrophobicContact CG-CD1 3.7Å; F334-L339 HydrophobicContact CG-CG 4.42Å
335	H	95.3	Very high	96.4	Very high	170 Å²	170	75.9 Å²	75.9	79%	0.787	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	34.2	-171.5	-63.3	-85.8	0	0	0	114	S333	S333-H335 PolarHBondContact O-N 3.38Å; S333-H335 VanDerWaalsContact O-N 3.12Å
336	G	96.2	Very high	96.5	Very high	60 Å²	60	74 Å²	74	62%	0.619	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	5.3	-178.3	0	0	0	0	0	115.6	S333 F334	S333-G336 WeakPolarHBondContact OG-CA 3.12Å; F334-G336 PolarHBondContact O-N 3.5Å; F334-G336 VanDerWaalsContact O-N 3.14Å
337	V	97.6	Very high	96.5	Very high	86 Å²	86	75.1 Å²	75.1	52%	0.521	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-114.9	134.8	178	-175	0	0	0	0	110.5	S333 F334 L339	S333-V337 CarbonylContact C-O 3.58Å; S333-V337 WeakPolarHBondContact CA-O 3.25Å; F334-V337 PolarHBondContact N-O 2.9Å; F334-V337 PolarHBondContact O-N 2.87Å; V337-L339 HydrophobicContact CG1-CD2 4.33Å
338	D	97.6	Very high	96.5	Very high	90 Å²	90	75.2 Å²	75.2	48%	0.481	43%	0.431	S	S	.	.			trans	-79.5	118.8	171.6	-174.4	-3.3	0	0	0	110.2	S340	D338-S340 WeakPolarHBondContact OD1-CB 3.35Å; D338-S340 PolarHBondContact OD1-N 3.09Å; D338-S340 PolarHBondContact OD1-OG 2.67Å; D338-S340 PolarHBondContact OD2-OG 3.46Å
339	L	98.1	Very high	96.4	Very high	26 Å²	26	76.5 Å²	76.5	14%	0.136	44%	0.438	C	S	.	.			trans	-96.7	-9.1	177.6	-61.9	-173.9	0	0	0	113.2	F328 W329 Q331 F334 V337 A341 L342	F328-L339 HydrophobicContact CE1-CD1 4.27Å; W329-L339 HydrophobicContact CE3-CB 4.25Å; W329-L339 HydrophobicContact CE3-CD1 4.2Å; W329-L339 CarbonylContact O-C 3.48Å; W329-L339 VanDerWaalsContact O-CB 3.23Å; W329-L339 WeakPolarHBondContact O-CB 3.47Å; W329-L339 VanDerWaalsContact O-O 3.12Å; Q331-L339 PolarHBondContact O-N 2.77Å; F334-L339 HydrophobicContact CB-CD1 3.6Å; F334-L339 HydrophobicContact CB-CG 3.85Å; F334-L339 HydrophobicContact CD1-CD1 3.71Å; F334-L339 HydrophobicContact CD1-CG 4.41Å; F334-L339 HydrophobicContact CG-CD1 3.7Å; F334-L339 HydrophobicContact CG-CG 4.42Å; V337-L339 HydrophobicContact CG1-CD2 4.33Å; L339-A341 PolarHBondContact O-N 3.07Å; L339-L342 PolarHBondContact O-N 3.21Å
340	S	97.3	Very high	96.4	Very high	38 Å²	38	75.1 Å²	75.1	27%	0.266	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-60.2	-28.4	-163.4	65.6	0	0	0	0	114.3	W329 D338 L342 R343	W329-S340 VanDerWaalsContact O-CA 3.22Å; W329-S340 WeakPolarHBondContact O-CA 3.27Å; W329-S340 PolarHBondContact O-N 2.66Å; W329-S340 VanDerWaalsContact O-N 3.15Å; D338-S340 WeakPolarHBondContact OD1-CB 3.35Å; D338-S340 PolarHBondContact OD1-N 3.09Å; D338-S340 PolarHBondContact OD1-OG 2.67Å; D338-S340 PolarHBondContact OD2-OG 3.46Å; S340-L342 PolarHBondContact O-N 3.09Å; S340-R343 WeakPolarHBondContact O-CB 3.43Å; S340-R343 PolarHBondContact O-N 3.4Å; S340-R343 VanDerWaalsContact O-N 3.13Å
341	A	97.6	Very high	96.5	Very high	95 Å²	95	68.5 Å²	68.5	79%	0.785	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-58.2	-27.4	174.1	0	0	0	0	0	113.8	L339	L339-A341 PolarHBondContact O-N 3.07Å
342	L	97.8	Very high	96.6	Very high	92 Å²	92	70.4 Å²	70.4	48%	0.482	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-90.4	-6.5	179.5	-65.2	178.6	0	0	0	113.9	W329 L339 S340 G344 A345 A346	W329-L342 HydrophobicContact CD2-CB 4.46Å; W329-L342 HydrophobicContact CE3-CB 3.92Å; W329-L342 HydrophobicContact CE3-CD1 3.99Å; W329-L342 HydrophobicContact CZ3-CB 4.48Å; W329-L342 HydrophobicContact CZ3-CD1 3.74Å; L339-L342 PolarHBondContact O-N 3.21Å; S340-L342 PolarHBondContact O-N 3.09Å; L342-G344 VanDerWaalsContact C-N 3.28Å; L342-G344 PolarHBondContact O-N 3.5Å; L342-A345 PolarHBondContact O-N 2.77Å; L342-A346 PolarHBondContact O-N 3.09Å
343	R	96.8	Very high	96.7	Very high	80 Å²	80	66.6 Å²	66.6	30%	0.302	39%	0.385	S	S	.	.	H	α-helix	trans	-55.1	-42	-178.7	-171.4	-152.5	-174.8	-151.9	-1.3	112.5	N327 W329 Y330 S340 A346 V347	N327-R343 PolarHBondContact OD1-NE 3.38Å; N327-R343 PolarHBondContact OD1-NH2 2.69Å; W329-R343 HydrophobicContact CB-CB 4.42Å; Y330-R343 HydrophobicContact CD2-CB 4.29Å; Y330-R343 HydrophobicContact CD2-CG 4.3Å; Y330-R343 HydrophobicContact CG-CG 4.45Å; S340-R343 WeakPolarHBondContact O-CB 3.43Å; S340-R343 PolarHBondContact O-N 3.4Å; S340-R343 VanDerWaalsContact O-N 3.13Å; R343-A346 PolarHBondContact O-N 2.79Å; R343-V347 WeakPolarHBondContact O-CG2 3.3Å; R343-V347 PolarHBondContact O-N 3.3Å
344	G	95.9	Very high	96.8	Very high	45 Å²	45	62.7 Å²	62.7	46%	0.464	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-48.9	179.1	0	0	0	0	0	112.3	L342 A346 V347 D348	L342-G344 VanDerWaalsContact C-N 3.28Å; L342-G344 PolarHBondContact O-N 3.5Å; G344-A346 VanDerWaalsContact C-N 3.31Å; G344-A346 PolarHBondContact O-N 2.72Å; G344-V347 PolarHBondContact O-N 2.71Å; G344-D348 PolarHBondContact O-N 3.41Å
345	A	96.3	Very high	96.9	Very high	60 Å²	60	59.3 Å²	59.3	50%	0.496	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-37.8	176.5	0	0	0	0	0	112.2	L342 D348 E349	L342-A345 PolarHBondContact O-N 2.77Å; A345-D348 PolarHBondContact O-N 3.21Å; A345-E349 WeakPolarHBondContact O-CB 3.47Å; A345-E349 PolarHBondContact O-N 2.94Å
346	A	96.1	Very high	97.1	Very high	9 Å²	9	51.2 Å²	51.2	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-40.8	175.4	0	0	0	0	0	112.7	A326 W329 L342 R343 G344 E349 Y350	A326-A346 HydrophobicContact CB-CB 4.38Å; W329-A346 HydrophobicContact CB-CB 4.49Å; W329-A346 HydrophobicContact CG-CB 3.88Å; L342-A346 PolarHBondContact O-N 3.09Å; R343-A346 PolarHBondContact O-N 2.79Å; G344-A346 VanDerWaalsContact C-N 3.31Å; G344-A346 PolarHBondContact O-N 2.72Å; A346-E349 PolarHBondContact O-N 2.77Å; A346-Y350 HydrophobicContact CB-CE2 4.33Å; A346-Y350 WeakPolarHBondContact O-CD2 3.46Å; A346-Y350 PolarHBondContact O-N 3Å
347	V	96.1	Very high	97.1	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-50.7	171.9	172.5	0	0	0	0	109.8	F323 A326 R343 G344 E349 Y350 F351	F323-V347 HydrophobicContact CD1-CG2 4.24Å; F323-V347 HydrophobicContact CE1-CG1 4.06Å; F323-V347 HydrophobicContact CE1-CG2 4.15Å; F323-V347 HydrophobicContact CZ-CG1 4.28Å; A326-V347 HydrophobicContact CB-CB 4.36Å; A326-V347 HydrophobicContact CB-CG2 3.45Å; A326-V347 VanDerWaalsContact CB-CG2 3.45Å; R343-V347 WeakPolarHBondContact O-CG2 3.3Å; R343-V347 PolarHBondContact O-N 3.3Å; G344-V347 PolarHBondContact O-N 2.71Å; V347-E349 VanDerWaalsContact C-N 3.29Å; V347-E349 PolarHBondContact O-N 3.11Å; V347-Y350 PolarHBondContact O-N 3.24Å; V347-F351 HydrophobicContact CG1-CD2 3.76Å; V347-F351 HydrophobicContact CG1-CE2 4.04Å; V347-F351 WeakPolarHBondContact O-CB 3.39Å; V347-F351 WeakPolarHBondContact O-CD2 3.45Å; V347-F351 PolarHBondContact O-N 3.46Å
348	D	95.3	Very high	97	Very high	68 Å²	68	45.8 Å²	45.8	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-57.9	-40.5	178.3	-76.8	-28.8	0	0	0	112.2	G344 A345 R352 Q439	G344-D348 PolarHBondContact O-N 3.41Å; A345-D348 PolarHBondContact O-N 3.21Å; D348-R352 WeakPolarHBondContact O-CB 3.16Å; D348-R352 WeakPolarHBondContact O-CD 3.42Å; D348-R352 WeakPolarHBondContact O-CG 3.39Å; D348-R352 PolarHBondContact O-N 2.81Å; D348-Q439 PolarHBondContact OD1-NE2 3.32Å
349	E	95.8	Very high	97	Very high	120 Å²	120	42 Å²	42	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-64.4	-48.5	177.4	-170.5	175.2	115.5	0	0	112.5	A345 A346 V347 F351 R352	A345-E349 WeakPolarHBondContact O-CB 3.47Å; A345-E349 PolarHBondContact O-N 2.94Å; A346-E349 PolarHBondContact O-N 2.77Å; V347-E349 VanDerWaalsContact C-N 3.29Å; V347-E349 PolarHBondContact O-N 3.11Å; E349-F351 PolarHBondContact O-N 3.07Å; E349-R352 WeakPolarHBondContact O-CB 3.32Å; E349-R352 PolarHBondContact O-N 3.09Å
350	Y	96.3	Very high	96.9	Very high	50 Å²	50	42.2 Å²	42.2	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-38.6	178.2	-68.1	-57.8	0	0	0	112.3	K325 A326 A346 V347 R352 Q353	K325-Y350 HydrophobicContact CB-CD1 4.43Å; K325-Y350 HydrophobicContact CB-CD2 4.02Å; K325-Y350 HydrophobicContact CB-CE1 4.12Å; K325-Y350 HydrophobicContact CB-CE2 3.69Å; K325-Y350 HydrophobicContact CB-CG 4.4Å; K325-Y350 HydrophobicContact CD-CD1 4.15Å; K325-Y350 HydrophobicContact CD-CE1 4.14Å; A326-Y350 HydrophobicContact CB-CD2 3.95Å; A326-Y350 HydrophobicContact CB-CE2 4.19Å; A346-Y350 HydrophobicContact CB-CE2 4.33Å; A346-Y350 WeakPolarHBondContact O-CD2 3.46Å; A346-Y350 PolarHBondContact O-N 3Å; V347-Y350 PolarHBondContact O-N 3.24Å; Y350-R352 VanDerWaalsContact C-N 3.25Å; Y350-R352 PolarHBondContact O-N 3.49Å; Y350-Q353 PolarHBondContact O-N 3.13Å
351	F	97.2	Very high	96.9	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-71	-18.7	176.1	-85.8	-92.6	0	0	0	113.4	Y319 Q322 F323 V347 E349 Q353 L437 L438 N481	Y319-F351 AromaticContact CD2-CE1 3.69Å; Y319-F351 HydrophobicContact CD2-CE1 3.69Å; Y319-F351 AromaticContact CD2-CZ 3.79Å; Y319-F351 HydrophobicContact CD2-CZ 3.79Å; Y319-F351 AromaticContact CE2-CE1 3.46Å; Y319-F351 HydrophobicContact CE2-CE1 3.46Å; Y319-F351 VanDerWaalsContact CE2-CE1 3.46Å; Y319-F351 AromaticContact CE2-CZ 3.54Å; Y319-F351 HydrophobicContact CE2-CZ 3.54Å; Y319-F351 HydrophobicContact CG-CZ 4.44Å; Q322-F351 HydrophobicContact CB-CD2 4.1Å; Q322-F351 HydrophobicContact CB-CE2 3.63Å; Q322-F351 HydrophobicContact CB-CZ 4.11Å; Q322-F351 HydrophobicContact CG-CE2 4.32Å; Q322-F351 HydrophobicContact CG-CZ 4.43Å; F323-F351 HydrophobicContact CD2-CE2 4.07Å; F323-F351 HydrophobicContact CD2-CZ 4.13Å; F323-F351 AromaticContact CE2-CE2 3.62Å; F323-F351 HydrophobicContact CE2-CE2 3.62Å; F323-F351 AromaticContact CE2-CZ 3.54Å; F323-F351 HydrophobicContact CE2-CZ 3.54Å; F323-F351 HydrophobicContact CZ-CE2 4.01Å; F323-F351 HydrophobicContact CZ-CZ 4.22Å; V347-F351 HydrophobicContact CG1-CD2 3.76Å; V347-F351 HydrophobicContact CG1-CE2 4.04Å; V347-F351 WeakPolarHBondContact O-CB 3.39Å; V347-F351 WeakPolarHBondContact O-CD2 3.45Å; V347-F351 PolarHBondContact O-N 3.46Å; E349-F351 PolarHBondContact O-N 3.07Å; F351-Q353 VanDerWaalsContact C-N 3.3Å; F351-L437 HydrophobicContact CD1-CB 3.82Å; F351-L437 HydrophobicContact CD1-CD1 4.23Å; F351-L437 HydrophobicContact CE1-CB 3.87Å; F351-L437 HydrophobicContact CE1-CD1 3.94Å; F351-L437 HydrophobicContact CE1-CG 4.48Å; F351-L437 HydrophobicContact CZ-CD1 4.5Å; F351-L438 WeakPolarHBondContact CE1-O 3.5Å; F351-N481 PolarHBondContact O-ND2 3.17Å
352	R	97.6	Very high	96.8	Very high	107 Å²	107	45.1 Å²	45.1	40%	0.404	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-11.8	172.7	-80.3	160	-177.4	-76.6	-3.1	114.1	D348 E349 Y350 P354 L482 L483 D484	D348-R352 WeakPolarHBondContact O-CB 3.16Å; D348-R352 WeakPolarHBondContact O-CD 3.42Å; D348-R352 WeakPolarHBondContact O-CG 3.39Å; D348-R352 PolarHBondContact O-N 2.81Å; E349-R352 WeakPolarHBondContact O-CB 3.32Å; E349-R352 PolarHBondContact O-N 3.09Å; Y350-R352 VanDerWaalsContact C-N 3.25Å; Y350-R352 PolarHBondContact O-N 3.49Å; R352-P354 WeakPolarHBondContact O-CD 3.22Å; R352-L482 WeakPolarHBondContact CG-O 3.36Å; R352-L483 CarbonylContact O-C 3.55Å; R352-L483 VanDerWaalsContact O-CA 3.24Å; R352-L483 WeakPolarHBondContact O-CA 3.32Å; R352-L483 WeakPolarHBondContact O-CB 3.31Å; R352-D484 PolarHBondContact O-N 3Å
353	Q	97.8	Very high	96.8	Very high	23 Å²	23	41.1 Å²	41.1	11%	0.107	21%	0.21	C	C	.	.	S	Bend	trans	-88.3	120.4	-179	-54.7	-166.4	-81.2	0	0	111.2	Y350 F351 I355 N487 F489	Y350-Q353 PolarHBondContact O-N 3.13Å; F351-Q353 VanDerWaalsContact C-N 3.3Å; Q353-I355 PolarHBondContact O-N 2.96Å; Q353-N487 PolarHBondContact NE2-ND2 2.97Å; Q353-N487 PolarHBondContact NE2-O 2.94Å; Q353-F489 HydrophobicContact CB-CB 4.1Å
354	P	98.3	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-64.2	134.5	164.9	-20.6	34.8	0	0	0	110	R352 V434 L483 D484 L485 P488 F489	R352-P354 WeakPolarHBondContact O-CD 3.22Å; P354-V434 HydrophobicContact CB-CG1 3.58Å; P354-L483 HydrophobicContact CG-CB 4.05Å; P354-L483 HydrophobicContact CG-CD2 4.2Å; P354-D484 WeakPolarHBondContact CD-O 3.2Å; P354-L485 HydrophobicContact CB-CD1 4.29Å; P354-L485 HydrophobicContact CG-CD1 4.07Å; P354-P488 CarbonylContact O-C 3.18Å; P354-P488 VanDerWaalsContact O-CA 3.24Å; P354-P488 WeakPolarHBondContact O-CA 3.33Å; P354-F489 PolarHBondContact O-N 3.18Å
355	I	98.4	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.1	-176.9	-47.5	-59.8	0	0	0	108.9	L318 Q353 V434 R435 F489 R491	L318-I355 HydrophobicContact CD1-CD1 4.46Å; L318-I355 HydrophobicContact CD1-CG1 4.11Å; L318-I355 HydrophobicContact CD1-CG2 3.97Å; L318-I355 HydrophobicContact CD2-CG1 4.2Å; L318-I355 HydrophobicContact CD2-CG2 4.47Å; Q353-I355 PolarHBondContact O-N 2.96Å; I355-V434 CarbonylContact O-C 3.58Å; I355-V434 WeakPolarHBondContact O-CA 3.5Å; I355-R435 HydrophobicContact CB-CB 4.3Å; I355-R435 PolarHBondContact N-O 3.48Å; I355-R435 PolarHBondContact O-N 3.09Å; I355-F489 HydrophobicContact CD1-CB 4.02Å; I355-F489 HydrophobicContact CD1-CD1 4.01Å; I355-F489 HydrophobicContact CD1-CG 4.47Å; I355-F489 HydrophobicContact CG2-CD1 4.48Å; I355-R491 HydrophobicContact CG2-CB 3.81Å; I355-R491 HydrophobicContact CG2-CG 4.45Å
356	V	98.2	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	103.7	177	-178.4	0	0	0	0	108.9	Y277 Y432 V434 P488 F489 F490 R491	Y277-V356 HydrophobicContact CD1-CG1 4.11Å; Y277-V356 HydrophobicContact CD1-CG2 4.24Å; Y277-V356 HydrophobicContact CE1-CG1 3.79Å; Y277-V356 HydrophobicContact CE1-CG2 4.46Å; Y277-V356 HydrophobicContact CG-CG2 4.46Å; V356-Y432 HydrophobicContact CG1-CD2 3.91Å; V356-Y432 HydrophobicContact CG1-CG 4.24Å; V356-V434 HydrophobicContact CG2-CG2 4.29Å; V356-P488 HydrophobicContact CG2-CB 3.7Å; V356-F489 PolarHBondContact N-O 3.35Å; V356-F490 HydrophobicContact CB-CD1 3.91Å; V356-F490 HydrophobicContact CB-CE1 4.04Å; V356-F490 HydrophobicContact CG1-CD1 3.88Å; V356-F490 HydrophobicContact CG1-CE1 3.79Å; V356-F490 HydrophobicContact CG2-CE1 4.38Å; V356-R491 PolarHBondContact O-N 2.9Å
357	D	96.6	Very high	97.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	-170.9	172.7	65.8	2.6	0	0	0	111.2	Q433 R435 R491	D357-Q433 PolarHBondContact N-O 2.89Å; D357-Q433 CarbonylContact O-C 3.19Å; D357-Q433 PolarHBondContact O-N 3.45Å; D357-R435 IonicContact OD1-CZ 3.94Å; D357-R435 VanDerWaalsContact OD1-CZ 3.26Å; D357-R435 IonicContact OD1-NE 2.75Å; D357-R435 PolarHBondContact OD1-NE 3.08Å; D357-R435 IonicContact OD1-NH2 3.85Å; D357-R435 PolarHBondContact OD1-NH2 2.86Å; D357-R435 IonicContact OD2-CZ 2.86Å; D357-R435 IonicContact OD2-NH2 2.91Å; D357-R435 PolarHBondContact OD2-NH2 3.26Å; D357-R491 HydrophobicContact CB-CB 4Å; D357-R491 WeakPolarHBondContact OD2-CD 3.27Å; D357-R491 IonicContact OD2-CZ 3.57Å; D357-R491 IonicContact OD2-NH1 2.66Å; D357-R491 PolarHBondContact OD2-NH1 3.42Å
358	T	96.8	Very high	97.3	Very high	28 Å²	28	42.7 Å²	42.7	17%	0.172	20%	0.199	C	C	.	.			trans	-121.2	157.7	173.3	-167.5	0	0	0	0	110.2	L428 Q433 Y492 P497	T358-L428 HydrophobicContact CG2-CD1 4.14Å; T358-L428 HydrophobicContact CG2-CD2 4.1Å; T358-Q433 PolarHBondContact OG1-OE1 3.27Å; T358-Y492 HydrophobicContact CG2-CD2 4.07Å; T358-Y492 HydrophobicContact CG2-CE2 3.94Å; T358-P497 HydrophobicContact CG2-CG 4.01Å
359	F	96.4	Very high	97.5	Very high	10 Å²	10	41 Å²	41	4%	0.044	19%	0.191	C	C	.	.			trans	-146.1	157.1	-169.7	53.2	-97.7	0	0	0	112	I361 I363 L364 A404 P424 Q433 R435	F359-I361 PolarHBondContact O-N 3.29Å; F359-I363 HydrophobicContact CB-CD1 3.67Å; F359-I363 HydrophobicContact CB-CG1 4.33Å; F359-I363 HydrophobicContact CD1-CD1 4.48Å; F359-I363 HydrophobicContact CD2-CD1 3.67Å; F359-I363 HydrophobicContact CD2-CG1 3.69Å; F359-I363 HydrophobicContact CE2-CD1 4.45Å; F359-I363 HydrophobicContact CE2-CG1 4.35Å; F359-I363 HydrophobicContact CG-CD1 3.69Å; F359-I363 HydrophobicContact CG-CG1 4.23Å; F359-L364 HydrophobicContact CE2-CD1 4.35Å; F359-L364 HydrophobicContact CE2-CD2 3.82Å; F359-L364 HydrophobicContact CE2-CG 4.14Å; F359-L364 HydrophobicContact CZ-CD2 4.32Å; F359-A404 HydrophobicContact CE1-CB 3.94Å; F359-A404 HydrophobicContact CE2-CB 4.46Å; F359-A404 HydrophobicContact CZ-CB 3.64Å; F359-P424 HydrophobicContact CD2-CB 4.26Å; F359-P424 HydrophobicContact CE2-CB 3.72Å; F359-P424 HydrophobicContact CE2-CG 3.7Å; F359-P424 HydrophobicContact CZ-CB 3.99Å; F359-P424 HydrophobicContact CZ-CG 3.87Å; F359-Q433 HydrophobicContact CD1-CB 4.33Å; F359-Q433 HydrophobicContact CE1-CB 3.55Å; F359-Q433 HydrophobicContact CE1-CG 4.1Å; F359-Q433 HydrophobicContact CZ-CB 4.22Å; F359-Q433 HydrophobicContact CZ-CG 4.35Å; F359-R435 VanDerWaalsContact CD1-CD 3.46Å; F359-R435 HydrophobicContact CD1-CG 4.01Å; F359-R435 HydrophobicContact CE1-CG 3.87Å
360	D	96.7	Very high	97.6	Very high	31 Å²	31	40.3 Å²	40.3	17%	0.166	19%	0.186	C	C	.	.			trans	-71.4	127.8	173.7	-173.3	-62.9	0	0	0	109.8	R362 I363 P497 P499	D360-R362 PolarHBondContact O-N 3.39Å; D360-R362 WeakPolarHBondContact OD1-CB 3.49Å; D360-R362 VanDerWaalsContact OD1-CG 3.27Å; D360-R362 WeakPolarHBondContact OD1-CG 3.43Å; D360-R362 IonicContact OD1-CZ 2.71Å; D360-R362 PolarHBondContact OD1-N 3.17Å; D360-R362 IonicContact OD1-NE 2.67Å; D360-R362 PolarHBondContact OD1-NE 3.07Å; D360-R362 IonicContact OD1-NH2 4Å; D360-R362 IonicContact OD2-CZ 2.93Å; D360-R362 IonicContact OD2-NE 3.75Å; D360-R362 PolarHBondContact OD2-NE 3.42Å; D360-R362 IonicContact OD2-NH2 2.69Å; D360-R362 PolarHBondContact OD2-NH2 3.08Å; D360-I363 WeakPolarHBondContact O-CG1 3.49Å; D360-I363 PolarHBondContact O-N 2.94Å; D360-P497 HydrophobicContact CB-CB 4.25Å; D360-P499 HydrophobicContact CB-CB 4.47Å
361	I	96.6	Very high	97.7	Very high	80 Å²	80	41.2 Å²	41.2	41%	0.41	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-54.7	-21.5	-176.8	59.3	168.5	0	0	0	114.4	F359 I363 L364 P424 T425	F359-I361 PolarHBondContact O-N 3.29Å; I361-I363 PolarHBondContact O-N 3.47Å; I361-L364 WeakPolarHBondContact O-CB 3.42Å; I361-L364 WeakPolarHBondContact O-CG 3.32Å; I361-L364 PolarHBondContact O-N 2.83Å; I361-L364 VanDerWaalsContact O-N 3.11Å; I361-P424 HydrophobicContact CG2-CB 3.89Å; I361-P424 HydrophobicContact CG2-CG 4.03Å; I361-P424 WeakPolarHBondContact CG2-O 3.24Å; I361-T425 HydrophobicContact CD1-CG2 4.28Å; I361-T425 HydrophobicContact CG2-CG2 3.89Å
362	R	96.3	Very high	97.8	Very high	115 Å²	115	44.2 Å²	44.2	43%	0.434	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-66.6	-14.7	177.1	-66.6	173	-81.1	-174.3	-9	113.5	D360 L364 P500 S503	D360-R362 PolarHBondContact O-N 3.39Å; D360-R362 WeakPolarHBondContact OD1-CB 3.49Å; D360-R362 VanDerWaalsContact OD1-CG 3.27Å; D360-R362 WeakPolarHBondContact OD1-CG 3.43Å; D360-R362 IonicContact OD1-CZ 2.71Å; D360-R362 PolarHBondContact OD1-N 3.17Å; D360-R362 IonicContact OD1-NE 2.67Å; D360-R362 PolarHBondContact OD1-NE 3.07Å; D360-R362 IonicContact OD1-NH2 4Å; D360-R362 IonicContact OD2-CZ 2.93Å; D360-R362 IonicContact OD2-NE 3.75Å; D360-R362 PolarHBondContact OD2-NE 3.42Å; D360-R362 IonicContact OD2-NH2 2.69Å; D360-R362 PolarHBondContact OD2-NH2 3.08Å; R362-L364 PolarHBondContact O-N 3.39Å; R362-P500 HydrophobicContact CB-CG 4.05Å; R362-P500 VanDerWaalsContact O-CG 3.27Å; R362-P500 WeakPolarHBondContact O-CG 3.33Å; R362-S503 PolarHBondContact NH1-O 2.84Å
363	I	97.9	Very high	97.8	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.036	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-71.3	-16.7	171.7	76.5	164.6	0	0	0	113.1	F313 T314 F359 D360 I361 P500	F313-I363 CarbonylContact C-O 3.59Å; F313-I363 VanDerWaalsContact CA-O 3.25Å; F313-I363 WeakPolarHBondContact CA-O 3.35Å; F313-I363 HydrophobicContact CB-CD1 3.88Å; F313-I363 HydrophobicContact CB-CG1 4.02Å; F313-I363 HydrophobicContact CD2-CD1 4.02Å; F313-I363 HydrophobicContact CG-CD1 4.16Å; T314-I363 PolarHBondContact N-O 3.42Å; T314-I363 WeakPolarHBondContact O-CB 3.22Å; F359-I363 HydrophobicContact CB-CD1 3.67Å; F359-I363 HydrophobicContact CB-CG1 4.33Å; F359-I363 HydrophobicContact CD1-CD1 4.48Å; F359-I363 HydrophobicContact CD2-CD1 3.67Å; F359-I363 HydrophobicContact CD2-CG1 3.69Å; F359-I363 HydrophobicContact CE2-CD1 4.45Å; F359-I363 HydrophobicContact CE2-CG1 4.35Å; F359-I363 HydrophobicContact CG-CD1 3.69Å; F359-I363 HydrophobicContact CG-CG1 4.23Å; D360-I363 WeakPolarHBondContact O-CG1 3.49Å; D360-I363 PolarHBondContact O-N 2.94Å; I361-I363 PolarHBondContact O-N 3.47Å; I363-P500 HydrophobicContact CG2-CG 4.05Å
364	L	98.4	Very high	97.9	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.157	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-76	123.8	-179	-58.9	-178	0	0	0	110.6	A311 F313 F359 I361 R362 A404 W406	A311-L364 HydrophobicContact CB-CD1 4.43Å; A311-L364 HydrophobicContact CB-CD2 4Å; F313-L364 HydrophobicContact CB-CD2 4.17Å; F359-L364 HydrophobicContact CE2-CD1 4.35Å; F359-L364 HydrophobicContact CE2-CD2 3.82Å; F359-L364 HydrophobicContact CE2-CG 4.14Å; F359-L364 HydrophobicContact CZ-CD2 4.32Å; I361-L364 WeakPolarHBondContact O-CB 3.42Å; I361-L364 WeakPolarHBondContact O-CG 3.32Å; I361-L364 PolarHBondContact O-N 2.83Å; I361-L364 VanDerWaalsContact O-N 3.11Å; R362-L364 PolarHBondContact O-N 3.39Å; L364-A404 HydrophobicContact CD2-CB 4.09Å; L364-W406 HydrophobicContact CD1-CH2 3.87Å; L364-W406 HydrophobicContact CD1-CZ3 4.14Å
365	M	98.3	Very high	97.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	20%	0.197	C	C	.	.			trans	-92.7	-8.8	-172.3	-60.6	-177.9	71.8	0	0	114	P312 T314 M394 M395 H396 V400	P312-M365 HydrophobicContact CG-CB 4.4Å; P312-M365 PolarHBondContact O-N 3.37Å; T314-M365 HydrophobicContact CG2-CG 4.18Å; T314-M365 HydrophobicContact CG2-SD 4.24Å; M365-M394 HydrophobicContact CB-CE 3.53Å; M365-M394 HydrophobicContact CE-CE 3.87Å; M365-M394 HydrophobicContact CG-CE 4.46Å; M365-M394 HydrophobicContact SD-CE 4.15Å; M365-M395 PolarHBondContact O-N 3.37Å; M365-H396 WeakPolarHBondContact CE-O 3.45Å; M365-H396 PolarHBondContact O-N 3.02Å; M365-V400 HydrophobicContact CE-CG2 4.19Å; M365-V400 HydrophobicContact SD-CB 4.35Å; M365-V400 HydrophobicContact SD-CG2 3.72Å
366	A	98.5	Very high	97.8	Very high	6 Å²	6	43.7 Å²	43.7	5%	0.05	21%	0.214	C	C	.	.	S	Bend	trans	-153.5	165.6	177.3	0	0	0	0	0	110.6	P312 F392 H393 M394	P312-A366 HydrophobicContact CG-CB 3.71Å; A366-F392 HydrophobicContact CB-CB 3.9Å; A366-F392 HydrophobicContact CB-CD1 4.22Å; A366-F392 HydrophobicContact CB-CG 4.42Å; A366-H393 WeakPolarHBondContact CB-O 3.3Å; A366-M394 HydrophobicContact CB-SD 4.33Å
367	K	98.2	Very high	97.8	Very high	168 Å²	168	51 Å²	51	73%	0.73	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-63.1	145.7	169.3	-62.9	-175.4	-178.9	-178.1	0	110.5	F392 M395	K367-F392 WeakPolarHBondContact O-CD1 3.28Å; K367-M395 HydrophobicContact CG-SD 3.83Å
368	S	98.4	Very high	97.9	Very high	44 Å²	44	51.3 Å²	51.3	31%	0.308	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-65.5	141.2	178.3	60.8	0	0	0	0	112.8	H309 L310	H309-S368 PolarHBondContact ND1-OG 3.13Å; L310-S368 CarbonylContact O-C 3.52Å; L310-S368 WeakPolarHBondContact O-CA 3.38Å; L310-S368 WeakPolarHBondContact O-CB 3.22Å
369	V	98.4	Very high	97.9	Very high	33 Å²	33	55.5 Å²	55.5	20%	0.2	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	147	159.2	169.2	0	0	0	0	107.8	H309 L310 F390 F392	H309-V369 WeakPolarHBondContact CA-O 3.32Å; L310-V369 HydrophobicContact CD2-CB 4.26Å; L310-V369 HydrophobicContact CD2-CG1 4.25Å; L310-V369 HydrophobicContact CG-CB 4.28Å; L310-V369 PolarHBondContact N-O 3.45Å; L310-V369 PolarHBondContact O-N 3.2Å; V369-F390 HydrophobicContact CB-CB 4.28Å; V369-F390 HydrophobicContact CG1-CB 4.25Å; V369-F390 HydrophobicContact CG2-CB 4.1Å; V369-F392 HydrophobicContact CB-CE1 3.92Å; V369-F392 HydrophobicContact CB-CZ 4.24Å; V369-F392 HydrophobicContact CG2-CD1 3.9Å; V369-F392 HydrophobicContact CG2-CE1 3.57Å; V369-F392 HydrophobicContact CG2-CZ 4.11Å
370	K	98.4	Very high	97.8	Very high	105 Å²	105	56.6 Å²	56.6	46%	0.457	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.8	-178	-167.2	-179.1	86.3	142.1	0	110.8	D307 V308 H309 T372	D307-K370 HydrophobicContact CB-CD 3.88Å; D307-K370 HydrophobicContact CB-CG 4.01Å; D307-K370 VanDerWaalsContact CG-CD 3.48Å; D307-K370 VanDerWaalsContact OD1-CE 3.26Å; D307-K370 WeakPolarHBondContact OD1-CE 3.43Å; D307-K370 IonicContact OD1-NZ 3.83Å; D307-K370 PolarHBondContact OD1-NZ 3.31Å; D307-K370 IonicContact OD2-NZ 2.69Å; D307-K370 PolarHBondContact OD2-NZ 3.12Å; V308-K370 CarbonylContact O-C 3.59Å; V308-K370 WeakPolarHBondContact O-CA 3.16Å; H309-K370 WeakPolarHBondContact NE2-CD 3.36Å; H309-K370 WeakPolarHBondContact NE2-CG 3.49Å; K370-T372 WeakPolarHBondContact CE-OG1 3.48Å
371	Y	98.6	Very high	97.8	Very high	69 Å²	69	60.5 Å²	60.5	27%	0.271	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.3	172.9	179	-94.9	0	0	0	109.6	F280 V308 V373 I386 I388	F280-Y371 HydrophobicContact CZ-CD1 4.5Å; F280-Y371 HydrophobicContact CZ-CE1 4.45Å; V308-Y371 PolarHBondContact N-O 3.49Å; V308-Y371 PolarHBondContact O-N 3.07Å; Y371-V373 HydrophobicContact CD1-CG2 4.21Å; Y371-V373 HydrophobicContact CE1-CG2 3.63Å; Y371-I386 HydrophobicContact CD1-CG2 4.29Å; Y371-I386 HydrophobicContact CE1-CG2 3.53Å; Y371-I388 HydrophobicContact CD1-CD1 4.02Å; Y371-I388 HydrophobicContact CD1-CG1 4.07Å; Y371-I388 HydrophobicContact CD2-CB 4.45Å; Y371-I388 HydrophobicContact CD2-CG1 3.92Å; Y371-I388 HydrophobicContact CD2-CG2 4.29Å; Y371-I388 HydrophobicContact CE1-CG1 4.49Å; Y371-I388 HydrophobicContact CE2-CG1 4.36Å; Y371-I388 HydrophobicContact CG-CD1 3.98Å; Y371-I388 HydrophobicContact CG-CG1 3.77Å; Y371-I388 HydrophobicContact CG-CG2 4.24Å
372	T	98.7	Very high	97.9	Very high	65 Å²	65	60.5 Å²	60.5	40%	0.399	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.4	-173.9	-53.6	0	0	0	0	110.9	I305 G306 D307 K370	I305-T372 HydrophobicContact CB-CG2 4.35Å; I305-T372 HydrophobicContact CD1-CG2 4.45Å; G306-T372 WeakPolarHBondContact O-CA 3.44Å; D307-T372 VanDerWaalsContact OD1-CB 3.24Å; D307-T372 WeakPolarHBondContact OD1-CB 3.38Å; D307-T372 VanDerWaalsContact OD1-CG2 3.28Å; D307-T372 WeakPolarHBondContact OD1-CG2 3.37Å; D307-T372 PolarHBondContact OD1-OG1 3.33Å; K370-T372 WeakPolarHBondContact CE-OG1 3.48Å
373	V	98.6	Very high	97.9	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.5	165.3	-177.7	0	0	0	0	108.8	F280 I305 G306 Y371 F375 A378 L383	F280-V373 HydrophobicContact CE1-CG2 3.99Å; F280-V373 HydrophobicContact CZ-CG2 4.08Å; I305-V373 CarbonylContact C-O 3.56Å; I305-V373 VanDerWaalsContact CA-O 3.28Å; I305-V373 WeakPolarHBondContact CA-O 3.42Å; G306-V373 PolarHBondContact N-O 3.47Å; G306-V373 PolarHBondContact O-N 3.02Å; Y371-V373 HydrophobicContact CD1-CG2 4.21Å; Y371-V373 HydrophobicContact CE1-CG2 3.63Å; V373-F375 HydrophobicContact CB-CD1 4.46Å; V373-F375 HydrophobicContact CB-CE1 4Å; V373-F375 HydrophobicContact CG1-CD1 3.74Å; V373-F375 HydrophobicContact CG1-CE1 3.67Å; V373-A378 HydrophobicContact CG1-CB 3.9Å; V373-L383 HydrophobicContact CG1-CD2 4.34Å
374	N	98.6	Very high	97.9	Very high	42 Å²	42	59 Å²	59	23%	0.225	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108.5	171.9	-177.9	-2.2	0	0	0	109.6	I305 L376 E377 A378	I305-N374 HydrophobicContact CG2-CB 4.23Å; N374-L376 VanDerWaalsContact C-N 3.27Å; N374-L376 PolarHBondContact O-N 3.44Å; N374-L376 PolarHBondContact OD1-N 3.45Å; N374-E377 HydrophobicContact CB-CB 4.35Å; N374-E377 WeakPolarHBondContact ND2-CG 3.36Å; N374-E377 PolarHBondContact ND2-OE2 2.95Å; N374-E377 PolarHBondContact O-N 2.88Å; N374-E377 VanDerWaalsContact O-N 3.14Å; N374-A378 VanDerWaalsContact O-CB 3.25Å; N374-A378 WeakPolarHBondContact O-CB 3.24Å; N374-A378 PolarHBondContact O-N 2.83Å
375	F	98.7	Very high	97.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.9	-173.1	-54.5	-50.8	0	0	0	113.1	L285 Y288 L289 K292 M301 P303 T304 I305 V373 E377	L285-F375 HydrophobicContact CD1-CE1 4.18Å; L285-F375 HydrophobicContact CD1-CZ 4.44Å; L285-F375 HydrophobicContact CD2-CD1 4.09Å; L285-F375 HydrophobicContact CD2-CE1 3.5Å; L285-F375 VanDerWaalsContact CD2-CE1 3.5Å; L285-F375 HydrophobicContact CD2-CE2 4.39Å; L285-F375 HydrophobicContact CD2-CZ 3.67Å; L285-F375 HydrophobicContact CG-CE1 4.47Å; Y288-F375 HydrophobicContact CD1-CB 4.49Å; Y288-F375 HydrophobicContact CD1-CG 4.42Å; Y288-F375 HydrophobicContact CE1-CB 4.05Å; Y288-F375 HydrophobicContact CE1-CD2 4.02Å; Y288-F375 HydrophobicContact CE1-CG 4.08Å; L289-F375 HydrophobicContact CD2-CB 3.96Å; L289-F375 HydrophobicContact CD2-CD1 4.29Å; L289-F375 WeakPolarHBondContact CD2-O 3.31Å; K292-F375 PolarHBondContact NZ-O 2.82Å; M301-F375 HydrophobicContact CE-CB 4.28Å; M301-F375 HydrophobicContact SD-CB 4.31Å; M301-F375 VanDerWaalsContact SD-O 3.38Å; P303-F375 HydrophobicContact CB-CD2 4.49Å; P303-F375 HydrophobicContact CB-CE2 4.25Å; P303-F375 HydrophobicContact CG-CD2 4.31Å; P303-F375 HydrophobicContact CG-CE2 4.01Å; T304-F375 WeakPolarHBondContact O-CB 3.37Å; T304-F375 WeakPolarHBondContact O-CD2 3.19Å; T304-F375 PolarHBondContact O-N 2.96Å; I305-F375 VanDerWaalsContact C-CE2 3.42Å; V373-F375 HydrophobicContact CB-CD1 4.46Å; V373-F375 HydrophobicContact CB-CE1 4Å; V373-F375 HydrophobicContact CG1-CD1 3.74Å; V373-F375 HydrophobicContact CG1-CE1 3.67Å; F375-E377 VanDerWaalsContact C-N 3.33Å
376	L	97.4	Very high	97.9	Very high	69 Å²	69	63.6 Å²	63.6	36%	0.361	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-38.2	172.5	-70.5	171.6	0	0	0	111.8	K292 M301 T304 N374	K292-L376 VanDerWaalsContact NZ-C 3.31Å; K292-L376 PolarHBondContact NZ-O 3.39Å; M301-L376 HydrophobicContact CB-CD2 3.9Å; M301-L376 HydrophobicContact CB-CG 4.4Å; M301-L376 HydrophobicContact CG-CD2 3.73Å; M301-L376 HydrophobicContact SD-CD2 4.04Å; T304-L376 HydrophobicContact CG2-CD1 3.55Å; T304-L376 HydrophobicContact CG2-CG 3.96Å; N374-L376 VanDerWaalsContact C-N 3.27Å; N374-L376 PolarHBondContact O-N 3.44Å; N374-L376 PolarHBondContact OD1-N 3.45Å
377	E	97.8	Very high	97.9	Very high	154 Å²	154	67.2 Å²	67.2	72%	0.72	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-42.4	-173.7	-68.3	171.7	164.7	0	0	112.9	N374 F375	N374-E377 HydrophobicContact CB-CB 4.35Å; N374-E377 WeakPolarHBondContact ND2-CG 3.36Å; N374-E377 PolarHBondContact ND2-OE2 2.95Å; N374-E377 PolarHBondContact O-N 2.88Å; N374-E377 VanDerWaalsContact O-N 3.14Å; F375-E377 VanDerWaalsContact C-N 3.33Å
378	A	97.9	Very high	97.9	Very high	11 Å²	11	59.3 Å²	59.3	9%	0.091	28%	0.283	C	S	.	.			trans	-61.9	146.9	-174.9	0	0	0	0	0	113.3	L289 K292 V373 N374 D382	L289-A378 HydrophobicContact CD1-CB 4.08Å; K292-A378 PolarHBondContact NZ-O 2.82Å; V373-A378 HydrophobicContact CG1-CB 3.9Å; N374-A378 VanDerWaalsContact O-CB 3.25Å; N374-A378 WeakPolarHBondContact O-CB 3.24Å; N374-A378 PolarHBondContact O-N 2.83Å; A378-D382 WeakPolarHBondContact CA-OD2 3.41Å
379	K	97.4	Very high	97.9	Very high	116 Å²	116	61.4 Å²	61.4	50%	0.504	30%	0.295	S	S	.	.			trans	-103.8	165.1	174.3	-57.9	170.4	-179.8	170	0	110.9	L289 E381 D382	L289-K379 VanDerWaalsContact CD1-C 3.48Å; L289-K379 VanDerWaalsContact CD1-O 3.32Å; L289-K379 WeakPolarHBondContact CD1-O 3.44Å; K379-E381 HydrophobicContact CB-CG 3.79Å; K379-E381 HydrophobicContact CD-CG 3.8Å; K379-E381 WeakPolarHBondContact CD-OE1 3.44Å; K379-E381 WeakPolarHBondContact CE-OE1 3.45Å; K379-E381 IonicContact NZ-OE1 3.64Å; K379-E381 PolarHBondContact NZ-OE1 2.82Å; K379-E381 PolarHBondContact O-N 2.85Å; K379-D382 PolarHBondContact N-OD2 2.86Å; K379-D382 WeakPolarHBondContact O-CB 3.33Å; K379-D382 PolarHBondContact O-N 3.18Å; K379-D382 VanDerWaalsContact O-N 3.17Å
380	E	94.6	Very high	98	Very high	33 Å²	33	60.3 Å²	60.3	15%	0.154	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-53.9	-42.2	171.4	-69.4	169.1	-108.4	0	0	112.3	V152 E286 L289 H290 D382 L383 Y384	V152-E380 WeakPolarHBondContact CG1-OE2 3.38Å; E286-E380 HydrophobicContact CB-CG 4.44Å; E286-E380 WeakPolarHBondContact O-CG 3.4Å; L289-E380 HydrophobicContact CB-CG 4.08Å; H290-E380 VanDerWaalsContact CA-OE1 3.29Å; H290-E380 WeakPolarHBondContact CA-OE1 3.49Å; H290-E380 HydrophobicContact CB-CG 4.34Å; H290-E380 VanDerWaalsContact CB-OE1 3.31Å; H290-E380 WeakPolarHBondContact CB-OE1 3.34Å; H290-E380 IonicContact CE1-OE1 2.98Å; H290-E380 PolarHBondContact CE1-OE1 3.24Å; H290-E380 IonicContact CE1-OE2 3.31Å; H290-E380 PolarHBondContact CE1-OE2 3.3Å; H290-E380 IonicContact CG-OE1 2.77Å; H290-E380 IonicContact CG-OE2 3.36Å; H290-E380 IonicContact ND1-OE1 3.67Å; H290-E380 PolarHBondContact ND1-OE1 3.37Å; H290-E380 IonicContact ND1-OE2 3.6Å; H290-E380 PolarHBondContact ND1-OE2 3.44Å; E380-D382 VanDerWaalsContact C-N 3.26Å; E380-D382 PolarHBondContact O-N 3.06Å; E380-L383 PolarHBondContact O-N 2.7Å; E380-L383 VanDerWaalsContact O-N 3.09Å; E380-Y384 WeakPolarHBondContact O-CD1 3.46Å; E380-Y384 WeakPolarHBondContact O-CE1 3.34Å
381	E	96.5	Very high	98	Very high	112 Å²	112	60.9 Å²	60.9	52%	0.523	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-62.1	-28.7	-179.8	60.2	-171.9	-168.1	0	0	114	K379 L383 Y384	K379-E381 HydrophobicContact CB-CG 3.79Å; K379-E381 HydrophobicContact CD-CG 3.8Å; K379-E381 WeakPolarHBondContact CD-OE1 3.44Å; K379-E381 WeakPolarHBondContact CE-OE1 3.45Å; K379-E381 IonicContact NZ-OE1 3.64Å; K379-E381 PolarHBondContact NZ-OE1 2.82Å; K379-E381 PolarHBondContact O-N 2.85Å; E381-L383 PolarHBondContact O-N 3.31Å; E381-Y384 HydrophobicContact CB-CD2 4.29Å; E381-Y384 HydrophobicContact CB-CE2 4.18Å; E381-Y384 PolarHBondContact O-N 2.71Å
382	D	97.4	Very high	98	Very high	80 Å²	80	57.7 Å²	57.7	43%	0.428	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-68.9	-23.8	177.9	-56.9	-32.3	0	0	0	111.7	A378 K379 E380	A378-D382 WeakPolarHBondContact CA-OD2 3.41Å; K379-D382 PolarHBondContact N-OD2 2.86Å; K379-D382 WeakPolarHBondContact O-CB 3.33Å; K379-D382 PolarHBondContact O-N 3.18Å; K379-D382 VanDerWaalsContact O-N 3.17Å; E380-D382 VanDerWaalsContact C-N 3.26Å; E380-D382 PolarHBondContact O-N 3.06Å
383	L	98	Very high	98	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-87.1	-8.9	179.4	-58.9	-176.2	0	0	0	113.4	F280 L285 E286 L289 V373 E380 E381 I386 Y464	F280-L383 HydrophobicContact CE1-CD2 4.36Å; L285-L383 HydrophobicContact CB-CD1 3.64Å; E286-L383 HydrophobicContact CG-CB 4.05Å; E286-L383 HydrophobicContact CG-CD1 3.92Å; L289-L383 HydrophobicContact CD1-CD1 3.57Å; L289-L383 HydrophobicContact CD1-CG 3.96Å; L289-L383 HydrophobicContact CG-CD1 4.4Å; V373-L383 HydrophobicContact CG1-CD2 4.34Å; E380-L383 PolarHBondContact O-N 2.7Å; E380-L383 VanDerWaalsContact O-N 3.09Å; E381-L383 PolarHBondContact O-N 3.31Å; L383-I386 HydrophobicContact CD2-CD1 4.05Å; L383-Y464 VanDerWaalsContact O-CE1 3.22Å; L383-Y464 WeakPolarHBondContact O-CE1 3.27Å; L383-Y464 PolarHBondContact O-OH 2.92Å
384	Y	97.6	Very high	98	Very high	88 Å²	88	60.6 Å²	60.6	35%	0.345	29%	0.286	S	S	.	.	S	Bend	trans	-73.4	-29.9	-178.4	-61.5	-16.7	0	0	0	113.1	E286 E380 E381 A458	E286-Y384 HydrophobicContact CG-CE1 4.4Å; E380-Y384 WeakPolarHBondContact O-CD1 3.46Å; E380-Y384 WeakPolarHBondContact O-CE1 3.34Å; E381-Y384 HydrophobicContact CB-CD2 4.29Å; E381-Y384 HydrophobicContact CB-CE2 4.18Å; E381-Y384 PolarHBondContact O-N 2.71Å; Y384-A458 WeakPolarHBondContact O-CB 3.39Å; Y384-A458 PolarHBondContact O-N 3Å
385	R	98.2	Very high	97.9	Very high	129 Å²	129	63.6 Å²	63.6	49%	0.487	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	99	174.7	-178.1	-174.7	174.9	-80.8	-0.9	110	E387 M455 L456 V457	R385-E387 IonicContact CZ-OE2 2.71Å; R385-E387 IonicContact NH1-OE2 3.31Å; R385-E387 PolarHBondContact NH1-OE2 2.9Å; R385-E387 IonicContact NH2-OE2 2.74Å; R385-E387 PolarHBondContact NH2-OE2 2.83Å; R385-M455 VanDerWaalsContact CZ-SD 3.6Å; R385-M455 PolarHBondContact NE-SD 3.49Å; R385-M455 VanDerWaalsContact NE-SD 3.45Å; R385-M455 PolarHBondContact NH2-SD 2.57Å; R385-L456 WeakPolarHBondContact CA-O 3.16Å; R385-V457 HydrophobicContact CG-CG2 4.48Å
386	I	98.6	Very high	97.8	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.1	-179.1	-53.4	175.9	0	0	0	108.2	F280 Y371 L383 I388 M455 L456 Y464	F280-I386 HydrophobicContact CD1-CD1 3.55Å; F280-I386 HydrophobicContact CD2-CD1 3.94Å; F280-I386 HydrophobicContact CE1-CD1 3.54Å; F280-I386 HydrophobicContact CE2-CD1 3.88Å; F280-I386 HydrophobicContact CE2-CG2 4.43Å; F280-I386 HydrophobicContact CG-CD1 3.77Å; F280-I386 HydrophobicContact CZ-CD1 3.7Å; F280-I386 HydrophobicContact CZ-CG2 4.39Å; Y371-I386 HydrophobicContact CD1-CG2 4.29Å; Y371-I386 HydrophobicContact CE1-CG2 3.53Å; L383-I386 HydrophobicContact CD2-CD1 4.05Å; I386-I388 HydrophobicContact CG2-CD1 4.31Å; I386-I388 HydrophobicContact CG2-CG1 4.03Å; I386-M455 CarbonylContact O-C 3.58Å; I386-M455 WeakPolarHBondContact O-CA 3.18Å; I386-L456 HydrophobicContact CB-CB 4.33Å; I386-L456 PolarHBondContact N-O 2.83Å; I386-L456 PolarHBondContact O-N 3.42Å; I386-Y464 HydrophobicContact CD1-CE1 4.39Å
387	E	98.4	Very high	97.8	Very high	82 Å²	82	68.8 Å²	68.8	38%	0.383	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.9	179.4	-171.3	170.7	171.4	0	0	110.4	R385 P389 T453	R385-E387 IonicContact CZ-OE2 2.71Å; R385-E387 IonicContact NH1-OE2 3.31Å; R385-E387 PolarHBondContact NH1-OE2 2.9Å; R385-E387 IonicContact NH2-OE2 2.74Å; R385-E387 PolarHBondContact NH2-OE2 2.83Å; E387-P389 VanDerWaalsContact O-CD 3.31Å; E387-P389 WeakPolarHBondContact O-CD 3.25Å; E387-T453 HydrophobicContact CG-CG2 3.5Å
388	I	98.5	Very high	97.8	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	92	-177	-50.1	-180	0	0	0	108.7	L310 Y371 I386 T453 A454 L456	L310-I388 HydrophobicContact CD1-CG2 4.37Å; L310-I388 HydrophobicContact CD2-CG2 3.58Å; Y371-I388 HydrophobicContact CD1-CD1 4.02Å; Y371-I388 HydrophobicContact CD1-CG1 4.07Å; Y371-I388 HydrophobicContact CD2-CB 4.45Å; Y371-I388 HydrophobicContact CD2-CG1 3.92Å; Y371-I388 HydrophobicContact CD2-CG2 4.29Å; Y371-I388 HydrophobicContact CE1-CG1 4.49Å; Y371-I388 HydrophobicContact CE2-CG1 4.36Å; Y371-I388 HydrophobicContact CG-CD1 3.98Å; Y371-I388 HydrophobicContact CG-CG1 3.77Å; Y371-I388 HydrophobicContact CG-CG2 4.24Å; I386-I388 HydrophobicContact CG2-CD1 4.31Å; I386-I388 HydrophobicContact CG2-CG1 4.03Å; I388-T453 WeakPolarHBondContact O-CA 3.41Å; I388-A454 HydrophobicContact CB-CB 4.44Å; I388-A454 PolarHBondContact N-O 2.98Å; I388-A454 PolarHBondContact O-N 2.84Å; I388-L456 HydrophobicContact CD1-CD1 4.3Å
389	P	98.4	Very high	97.8	Very high	88 Å²	88	64.7 Å²	64.7	57%	0.571	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.1	171	30.2	-34.1	0	0	0	109.9	E387 G452	E387-P389 VanDerWaalsContact O-CD 3.31Å; E387-P389 WeakPolarHBondContact O-CD 3.25Å; P389-G452 WeakPolarHBondContact CA-O 3.37Å
390	F	98.6	Very high	97.9	Very high	9 Å²	9	59.2 Å²	59.2	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.7	178.3	59	-103.4	0	0	0	112.4	L310 V369 F392 L403 S451 G452 T453 A454 V469 A470	L310-F390 HydrophobicContact CD1-CB 3.99Å; L310-F390 HydrophobicContact CD1-CD1 3.59Å; L310-F390 HydrophobicContact CD1-CE1 4.36Å; L310-F390 HydrophobicContact CD1-CG 4.04Å; V369-F390 HydrophobicContact CB-CB 4.28Å; V369-F390 HydrophobicContact CG1-CB 4.25Å; V369-F390 HydrophobicContact CG2-CB 4.1Å; F390-F392 HydrophobicContact CB-CD2 4.38Å; F390-F392 HydrophobicContact CB-CE2 3.77Å; F390-F392 HydrophobicContact CB-CZ 4.01Å; F390-F392 HydrophobicContact CD1-CE2 4.43Å; F390-F392 AromaticContact CD2-CD2 3.55Å; F390-F392 HydrophobicContact CD2-CD2 3.55Å; F390-F392 AromaticContact CD2-CE2 3.29Å; F390-F392 HydrophobicContact CD2-CE2 3.29Å; F390-F392 HydrophobicContact CD2-CZ 4.33Å; F390-F392 HydrophobicContact CE2-CD2 4.16Å; F390-F392 AromaticContact CE2-CE2 3.93Å; F390-F392 HydrophobicContact CE2-CE2 3.93Å; F390-F392 HydrophobicContact CG-CD2 4.24Å; F390-F392 AromaticContact CG-CE2 3.59Å; F390-F392 HydrophobicContact CG-CE2 3.59Å; F390-F392 HydrophobicContact CG-CZ 4.23Å; F390-L403 HydrophobicContact CD1-CD1 4.3Å; F390-L403 HydrophobicContact CE1-CD1 3.65Å; F390-L403 HydrophobicContact CZ-CD1 3.86Å; F390-S451 WeakPolarHBondContact O-CA 3.44Å; F390-G452 PolarHBondContact N-O 2.95Å; F390-G452 PolarHBondContact O-N 2.94Å; F390-T453 VanDerWaalsContact CE1-C 3.45Å; F390-A454 HydrophobicContact CE1-CB 4.36Å; F390-V469 WeakPolarHBondContact CZ-O 3.16Å; F390-A470 HydrophobicContact CE2-CB 4.22Å; F390-A470 HydrophobicContact CZ-CB 3.99Å
391	K	98.7	Very high	98	Very high	117 Å²	117	57.7 Å²	57.7	51%	0.509	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	104.7	171.4	-169.4	166.3	-172.1	160.6	0	109.2	T449 D473	K391-T449 HydrophobicContact CD-CG2 3.96Å; K391-T449 HydrophobicContact CG-CG2 3.35Å; K391-D473 VanDerWaalsContact CE-OD2 3.31Å; K391-D473 WeakPolarHBondContact CE-OD2 3.34Å; K391-D473 IonicContact NZ-OD2 2.7Å; K391-D473 PolarHBondContact NZ-OD2 2.76Å
392	F	98.8	Very high	98.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.3	-176.9	-62	-70.5	0	0	0	111.1	L310 P312 A366 K367 V369 F390 M394 L403 T449 L450	L310-F392 HydrophobicContact CD1-CZ 4.06Å; L310-F392 HydrophobicContact CG-CZ 4.01Å; L310-F392 WeakPolarHBondContact O-CE1 3.46Å; L310-F392 WeakPolarHBondContact O-CZ 3.34Å; P312-F392 HydrophobicContact CG-CB 4.18Å; P312-F392 HydrophobicContact CG-CD1 4.25Å; P312-F392 HydrophobicContact CG-CD2 4.13Å; P312-F392 HydrophobicContact CG-CG 3.94Å; A366-F392 HydrophobicContact CB-CB 3.9Å; A366-F392 HydrophobicContact CB-CD1 4.22Å; A366-F392 HydrophobicContact CB-CG 4.42Å; K367-F392 WeakPolarHBondContact O-CD1 3.28Å; V369-F392 HydrophobicContact CB-CE1 3.92Å; V369-F392 HydrophobicContact CB-CZ 4.24Å; V369-F392 HydrophobicContact CG2-CD1 3.9Å; V369-F392 HydrophobicContact CG2-CE1 3.57Å; V369-F392 HydrophobicContact CG2-CZ 4.11Å; F390-F392 HydrophobicContact CB-CD2 4.38Å; F390-F392 HydrophobicContact CB-CE2 3.77Å; F390-F392 HydrophobicContact CB-CZ 4.01Å; F390-F392 HydrophobicContact CD1-CE2 4.43Å; F390-F392 AromaticContact CD2-CD2 3.55Å; F390-F392 HydrophobicContact CD2-CD2 3.55Å; F390-F392 AromaticContact CD2-CE2 3.29Å; F390-F392 HydrophobicContact CD2-CE2 3.29Å; F390-F392 HydrophobicContact CD2-CZ 4.33Å; F390-F392 HydrophobicContact CE2-CD2 4.16Å; F390-F392 AromaticContact CE2-CE2 3.93Å; F390-F392 HydrophobicContact CE2-CE2 3.93Å; F390-F392 HydrophobicContact CG-CD2 4.24Å; F390-F392 AromaticContact CG-CE2 3.59Å; F390-F392 HydrophobicContact CG-CE2 3.59Å; F390-F392 HydrophobicContact CG-CZ 4.23Å; F392-M394 HydrophobicContact CB-SD 4.27Å; F392-L403 HydrophobicContact CE2-CD2 3.83Å; F392-L403 HydrophobicContact CZ-CD2 4.37Å; F392-T449 CarbonylContact O-C 3.51Å; F392-T449 VanDerWaalsContact O-CA 3.27Å; F392-T449 WeakPolarHBondContact O-CA 3.25Å; F392-T449 WeakPolarHBondContact O-CG2 3.45Å; F392-L450 HydrophobicContact CB-CB 4.28Å; F392-L450 HydrophobicContact CD2-CD2 4.13Å; F392-L450 PolarHBondContact N-O 2.67Å; F392-L450 PolarHBondContact O-N 2.67Å
393	H	98.6	Very high	98.2	Very high	129 Å²	129	48.6 Å²	48.6	60%	0.597	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.5	166.5	-62.9	-63.4	0	0	0	109	A366 M395 T449	A366-H393 WeakPolarHBondContact CB-O 3.3Å; H393-M395 PolarHBondContact O-N 2.83Å; H393-T449 PolarHBondContact ND1-OG1 3.2Å
394	M	98.5	Very high	98.3	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.03	24%	0.239	C	C	.	.			trans	-71.5	122.4	-171.6	-59.6	-55.2	-67.4	0	0	110.4	P312 M365 A366 F392 V400 A444 K445 A446 G447 D448 L450	P312-M394 HydrophobicContact CG-CE 4.25Å; P312-M394 HydrophobicContact CG-SD 4.11Å; M365-M394 HydrophobicContact CB-CE 3.53Å; M365-M394 HydrophobicContact CE-CE 3.87Å; M365-M394 HydrophobicContact CG-CE 4.46Å; M365-M394 HydrophobicContact SD-CE 4.15Å; A366-M394 HydrophobicContact CB-SD 4.33Å; F392-M394 HydrophobicContact CB-SD 4.27Å; M394-V400 HydrophobicContact CE-CG2 3.6Å; M394-A444 HydrophobicContact CE-CB 4.2Å; M394-A444 HydrophobicContact CG-CB 4.04Å; M394-K445 WeakPolarHBondContact CB-O 3.01Å; M394-A446 WeakPolarHBondContact O-CA 3.48Å; M394-G447 PolarHBondContact O-N 2.81Å; M394-D448 WeakPolarHBondContact CB-O 3.15Å; M394-D448 HydrophobicContact CG-CB 4.43Å; M394-D448 WeakPolarHBondContact CG-O 3.48Å; M394-D448 PolarHBondContact N-O 2.87Å; M394-L450 HydrophobicContact SD-CB 3.88Å
395	M	98.1	Very high	98.3	Very high	104 Å²	104	44.3 Å²	44.3	51%	0.512	22%	0.223	S	C	.	.	S	Bend	trans	-88.3	-23.8	177.7	-67	175	54.5	0	0	112.1	M365 K367 H393	M365-M395 PolarHBondContact O-N 3.37Å; K367-M395 HydrophobicContact CG-SD 3.83Å; H393-M395 PolarHBondContact O-N 2.83Å
396	H	95.8	Very high	98.4	Very high	102 Å²	102	39.1 Å²	39.1	47%	0.472	20%	0.204	S	C	.	.	S	Bend	trans	-129.1	145.7	-177.1	-59.8	-84.8	0	0	0	110.8	M365	M365-H396 WeakPolarHBondContact CE-O 3.45Å; M365-H396 PolarHBondContact O-N 3.02Å
397	S	97.8	Very high	98.4	Very high	77 Å²	77	39.2 Å²	39.2	54%	0.538	20%	0.204	S	C	.	.			trans	-85.2	137.9	171.5	-57.4	0	0	0	0	110.6	A444 K445 A446	S397-A444 CarbonylContact C-O 3.55Å; S397-A444 VanDerWaalsContact CA-O 3.31Å; S397-A444 WeakPolarHBondContact CA-O 3.35Å; S397-K445 WeakPolarHBondContact OG-CA 3.37Å; S397-A446 PolarHBondContact OG-N 2.94Å
398	G	96.9	Very high	98.4	Very high	19 Å²	19	36.5 Å²	36.5	20%	0.196	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-168.4	175.6	0	0	0	0	0	113.9	F443 A444	G398-F443 WeakPolarHBondContact O-CA 3.41Å; G398-A444 PolarHBondContact N-O 3.06Å; G398-A444 PolarHBondContact O-N 2.88Å
399	L	98.3	Very high	98.4	Very high	59 Å²	59	36.4 Å²	36.4	31%	0.309	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.3	171.6	-68.6	176.3	0	0	0	110.6	T314 H401 P441 F443	T314-L399 WeakPolarHBondContact CB-O 3.14Å; T314-L399 PolarHBondContact OG1-O 2.77Å; L399-H401 PolarHBondContact O-N 3.28Å; L399-H401 PolarHBondContact O-ND1 3.29Å; L399-H401 VanDerWaalsContact O-ND1 3.16Å; L399-P441 HydrophobicContact CB-CB 4.3Å; L399-P441 HydrophobicContact CD2-CB 4.4Å; L399-F443 HydrophobicContact CD2-CB 3.97Å; L399-F443 HydrophobicContact CD2-CD2 4.23Å
400	V	98.7	Very high	98.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.4	166.7	-175.5	0	0	0	0	107.8	P312 M365 M394 P441 L442 A444 L450	P312-V400 HydrophobicContact CB-CG1 3.68Å; P312-V400 HydrophobicContact CB-CG2 4.47Å; M365-V400 HydrophobicContact CE-CG2 4.19Å; M365-V400 HydrophobicContact SD-CB 4.35Å; M365-V400 HydrophobicContact SD-CG2 3.72Å; M394-V400 HydrophobicContact CE-CG2 3.6Å; V400-P441 CarbonylContact O-C 3.57Å; V400-P441 VanDerWaalsContact O-CA 3.23Å; V400-P441 WeakPolarHBondContact O-CA 3.22Å; V400-P441 WeakPolarHBondContact O-CB 3.45Å; V400-L442 HydrophobicContact CB-CB 4.42Å; V400-L442 WeakPolarHBondContact CB-O 3.11Å; V400-L442 PolarHBondContact N-O 3.09Å; V400-L442 PolarHBondContact O-N 3.34Å; V400-A444 HydrophobicContact CG2-CB 4.43Å; V400-L450 HydrophobicContact CG1-CD2 4.05Å; V400-L450 HydrophobicContact CG2-CD2 4.42Å
401	H	98.7	Very high	98.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-21.8	-177.1	-75.1	100.8	0	0	0	113	F313 T314 D315 E316 Y319 L399 L437 L438	F313-H401 HydrophobicContact CD2-CB 4.35Å; F313-H401 HydrophobicContact CE2-CB 3.97Å; F313-H401 PolarHBondContact O-N 2.92Å; T314-H401 PolarHBondContact OG1-ND1 3.14Å; D315-H401 PolarHBondContact N-ND1 2.85Å; D315-H401 VanDerWaalsContact N-ND1 3.19Å; E316-H401 IonicContact OE2-CE1 2.82Å; E316-H401 PolarHBondContact OE2-CE1 3.17Å; E316-H401 IonicContact OE2-NE2 2.82Å; E316-H401 PolarHBondContact OE2-NE2 3.31Å; Y319-H401 VanDerWaalsContact CB-CD2 3.48Å; Y319-H401 WeakPolarHBondContact CB-CD2 3.38Å; Y319-H401 AromaticContact CD2-CD2 3.8Å; Y319-H401 AromaticContact CG-CD2 3.55Å; L399-H401 PolarHBondContact O-N 3.28Å; L399-H401 PolarHBondContact O-ND1 3.29Å; L399-H401 VanDerWaalsContact O-ND1 3.16Å; H401-L437 HydrophobicContact CB-CD2 4.43Å; H401-L437 WeakPolarHBondContact O-CA 3.42Å; H401-L438 PolarHBondContact O-N 3.26Å
402	G	98.6	Very high	98.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178	-173.4	-176.3	0	0	0	0	0	113.5	P312 F313 C436	P312-G402 WeakPolarHBondContact CA-O 3.38Å; F313-G402 VanDerWaalsContact CD1-C 3.43Å; F313-G402 WeakPolarHBondContact CD1-O 3.48Å; F313-G402 VanDerWaalsContact CE1-CA 3.46Å; F313-G402 PolarHBondContact N-O 2.53Å; G402-C436 CarbonylContact C-O 3.58Å; G402-C436 WeakPolarHBondContact CA-O 3.31Å
403	L	98.9	Very high	98.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.2	168.7	-61.3	-178.1	0	0	0	109.6	L310 A311 P312 F390 F392 F405 C436 I468	L310-L403 HydrophobicContact CD1-CD1 4.18Å; A311-L403 WeakPolarHBondContact O-CA 3.34Å; P312-L403 HydrophobicContact CB-CD2 4.22Å; F390-L403 HydrophobicContact CD1-CD1 4.3Å; F390-L403 HydrophobicContact CE1-CD1 3.65Å; F390-L403 HydrophobicContact CZ-CD1 3.86Å; F392-L403 HydrophobicContact CE2-CD2 3.83Å; F392-L403 HydrophobicContact CZ-CD2 4.37Å; L403-F405 HydrophobicContact CB-CD2 4.41Å; L403-F405 HydrophobicContact CB-CE2 3.61Å; L403-F405 HydrophobicContact CB-CZ 3.89Å; L403-F405 HydrophobicContact CD1-CZ 4.18Å; L403-C436 PolarHBondContact N-O 3.42Å; L403-C436 PolarHBondContact O-N 3.14Å; L403-I468 HydrophobicContact CD1-CD1 4.36Å; L403-I468 HydrophobicContact CD1-CG2 3.7Å; L403-I468 HydrophobicContact CG-CG2 4.37Å
404	A	98.8	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.3	171.5	0	0	0	0	0	109	L310 A311 F313 F359 L364 V434 R435	L310-A404 CarbonylContact C-O 3.51Å; L310-A404 VanDerWaalsContact CA-O 3.25Å; L310-A404 WeakPolarHBondContact CA-O 3.44Å; A311-A404 PolarHBondContact N-O 2.98Å; A311-A404 PolarHBondContact O-N 3.46Å; F313-A404 HydrophobicContact CD1-CB 3.86Å; F359-A404 HydrophobicContact CE1-CB 3.94Å; F359-A404 HydrophobicContact CE2-CB 4.46Å; F359-A404 HydrophobicContact CZ-CB 3.64Å; L364-A404 HydrophobicContact CD2-CB 4.09Å; A404-V434 CarbonylContact C-O 3.59Å; A404-V434 WeakPolarHBondContact CA-O 3.4Å; A404-R435 HydrophobicContact CB-CG 4.02Å
405	F	98.9	Very high	98.3	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.4	-175	-62.9	-95.5	0	0	0	110.8	M278 V308 H309 L310 L403 V434 C436 A454 I468	M278-F405 HydrophobicContact CE-CB 4.11Å; M278-F405 HydrophobicContact CE-CD1 3.56Å; M278-F405 HydrophobicContact CE-CD2 3.78Å; M278-F405 HydrophobicContact CE-CE1 3.78Å; M278-F405 HydrophobicContact CE-CE2 4.01Å; M278-F405 HydrophobicContact CE-CG 3.55Å; M278-F405 HydrophobicContact CE-CZ 4.01Å; M278-F405 HydrophobicContact CG-CB 4.04Å; M278-F405 HydrophobicContact CG-CG 4.49Å; M278-F405 HydrophobicContact SD-CB 4.44Å; M278-F405 HydrophobicContact SD-CD2 4.27Å; M278-F405 HydrophobicContact SD-CG 4.3Å; V308-F405 HydrophobicContact CG1-CD1 4.4Å; H309-F405 VanDerWaalsContact O-CA 3.3Å; H309-F405 WeakPolarHBondContact O-CA 3.23Å; L310-F405 HydrophobicContact CB-CD1 3.64Å; L310-F405 HydrophobicContact CB-CE1 3.56Å; L310-F405 HydrophobicContact CB-CG 4.44Å; L310-F405 HydrophobicContact CB-CZ 4.29Å; L310-F405 HydrophobicContact CD1-CE1 4.19Å; L310-F405 HydrophobicContact CG-CE1 4.36Å; L403-F405 HydrophobicContact CB-CD2 4.41Å; L403-F405 HydrophobicContact CB-CE2 3.61Å; L403-F405 HydrophobicContact CB-CZ 3.89Å; L403-F405 HydrophobicContact CD1-CZ 4.18Å; F405-V434 PolarHBondContact N-O 3.19Å; F405-V434 PolarHBondContact O-N 2.89Å; F405-C436 HydrophobicContact CE2-CB 3.99Å; F405-A454 HydrophobicContact CE1-CB 4.46Å; F405-A454 HydrophobicContact CZ-CB 4.35Å; F405-I468 HydrophobicContact CE2-CD1 4.02Å; F405-I468 HydrophobicContact CZ-CD1 4.02Å
406	W	98.8	Very high	98.3	Very high	20 Å²	20	30.7 Å²	30.7	8%	0.076	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	173.2	168.5	61.6	94.3	0	0	0	108.7	H309 A311 L364 A423 P424 Q433	H309-W406 HydrophobicContact CB-CD2 3.74Å; H309-W406 HydrophobicContact CB-CE3 4.47Å; H309-W406 HydrophobicContact CB-CG 4.01Å; H309-W406 HydrophobicContact CB-CH2 4.46Å; H309-W406 HydrophobicContact CB-CZ2 3.72Å; H309-W406 VanDerWaalsContact CB-NE1 3.27Å; H309-W406 AromaticContact CG-CE2 3.87Å; H309-W406 AromaticContact CG-NE1 3.44Å; H309-W406 PolarHBondContact N-O 2.7Å; H309-W406 AromaticContact ND1-NE1 3.86Å; H309-W406 PolarHBondContact O-N 3.05Å; A311-W406 HydrophobicContact CB-CH2 3.85Å; A311-W406 HydrophobicContact CB-CZ3 4.04Å; L364-W406 HydrophobicContact CD1-CH2 3.87Å; L364-W406 HydrophobicContact CD1-CZ3 4.14Å; W406-A423 HydrophobicContact CG-CB 4.33Å; W406-P424 HydrophobicContact CD2-CG 4.44Å; W406-P424 HydrophobicContact CE3-CG 4.25Å; W406-P424 HydrophobicContact CZ3-CG 4.36Å; W406-Q433 HydrophobicContact CB-CG 4.03Å
407	F	98.8	Very high	98.4	Very high	4 Å²	4	29 Å²	29	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.4	177.6	69.9	-91.9	0	0	0	113.3	M275 G276 L279 D307 V308 V409 L420 T422 W431	M275-F407 HydrophobicContact CB-CE2 3.74Å; M275-F407 HydrophobicContact CB-CZ 3.71Å; M275-F407 HydrophobicContact CE-CE2 4.38Å; M275-F407 HydrophobicContact CG-CE2 3.81Å; M275-F407 HydrophobicContact CG-CZ 4.31Å; G276-F407 WeakPolarHBondContact O-CE1 3.33Å; L279-F407 HydrophobicContact CB-CB 3.83Å; L279-F407 HydrophobicContact CB-CD1 4.08Å; L279-F407 HydrophobicContact CB-CD2 4.34Å; L279-F407 HydrophobicContact CB-CG 3.83Å; L279-F407 HydrophobicContact CD1-CD2 3.88Å; L279-F407 HydrophobicContact CD1-CE2 4.26Å; L279-F407 HydrophobicContact CD1-CG 4.24Å; L279-F407 VanDerWaalsContact N-CD1 3.35Å; D307-F407 CarbonylContact O-C 3.46Å; D307-F407 WeakPolarHBondContact O-CA 3.5Å; D307-F407 WeakPolarHBondContact O-CB 3.37Å; V308-F407 HydrophobicContact CG2-CB 4.33Å; F407-V409 HydrophobicContact CD2-CG1 4.17Å; F407-V409 HydrophobicContact CE2-CG1 4.42Å; F407-L420 HydrophobicContact CE2-CD2 4.47Å; F407-T422 HydrophobicContact CD1-CG2 4.41Å; F407-T422 HydrophobicContact CD2-CG2 4.38Å; F407-T422 HydrophobicContact CE1-CG2 3.98Å; F407-T422 HydrophobicContact CE2-CG2 3.93Å; F407-T422 HydrophobicContact CZ-CG2 3.72Å; F407-T422 PolarHBondContact N-OG1 3.36Å; F407-T422 WeakPolarHBondContact O-CB 3.4Å; F407-T422 PolarHBondContact O-N 3.22Å; F407-T422 PolarHBondContact O-OG1 3.06Å; F407-W431 HydrophobicContact CE1-CB 4.16Å; F407-W431 HydrophobicContact CE1-CD2 4.45Å; F407-W431 AromaticContact CE1-CG 3.98Å; F407-W431 HydrophobicContact CE1-CG 3.98Å; F407-W431 HydrophobicContact CZ-CB 4.35Å; F407-W431 AromaticContact CZ-CD1 3.91Å; F407-W431 AromaticContact CZ-CD2 3.77Å; F407-W431 HydrophobicContact CZ-CD2 3.77Å; F407-W431 AromaticContact CZ-CE2 3.91Å; F407-W431 HydrophobicContact CZ-CE3 4.32Å; F407-W431 AromaticContact CZ-CG 3.78Å; F407-W431 HydrophobicContact CZ-CG 3.78Å; F407-W431 AromaticContact CZ-NE1 3.97Å
408	D	98.6	Very high	98.5	Very high	24 Å²	24	26 Å²	26	13%	0.128	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.8	171.1	-53.4	-29.5	0	0	0	108.5	G306 D307 H309 W419 L420 S421 T422	G306-D408 CarbonylContact C-O 3.59Å; G306-D408 WeakPolarHBondContact CA-O 3.34Å; D307-D408 HydrophobicContact CB-CB 4.43Å; D307-D408 PolarHBondContact N-O 2.91Å; D307-D408 PolarHBondContact O-N 2.74Å; H309-D408 IonicContact NE2-OD2 3.39Å; D408-W419 HydrophobicContact CB-CE3 3.95Å; D408-W419 HydrophobicContact CB-CZ3 4.06Å; D408-L420 CarbonylContact C-O 3.49Å; D408-L420 WeakPolarHBondContact CA-O 3.48Å; D408-S421 WeakPolarHBondContact OD1-CA 3.45Å; D408-S421 WeakPolarHBondContact OD1-CB 3.44Å; D408-S421 PolarHBondContact OD1-OG 2.88Å; D408-T422 PolarHBondContact OD1-N 3.02Å
409	V	98.8	Very high	98.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.9	170.8	-62	0	0	0	0	110.5	M275 L279 P303 I305 F407 F411 W419 L420	M275-V409 HydrophobicContact CE-CG1 4.49Å; M275-V409 HydrophobicContact CE-CG2 3.91Å; M275-V409 HydrophobicContact CG-CG1 3.92Å; M275-V409 HydrophobicContact SD-CG1 4.03Å; M275-V409 HydrophobicContact SD-CG2 4.21Å; L279-V409 HydrophobicContact CD1-CG1 4.01Å; P303-V409 HydrophobicContact CB-CB 3.77Å; P303-V409 HydrophobicContact CB-CG1 4.4Å; P303-V409 HydrophobicContact CB-CG2 4.07Å; P303-V409 HydrophobicContact CG-CB 4.36Å; I305-V409 WeakPolarHBondContact O-CA 3.24Å; F407-V409 HydrophobicContact CD2-CG1 4.17Å; F407-V409 HydrophobicContact CE2-CG1 4.42Å; V409-F411 HydrophobicContact CG2-CE2 4.22Å; V409-F411 HydrophobicContact CG2-CZ 4.2Å; V409-W419 WeakPolarHBondContact O-CA 3.4Å; V409-L420 HydrophobicContact CG2-CB 3.9Å; V409-L420 HydrophobicContact CG2-CD2 3.82Å; V409-L420 HydrophobicContact CG2-CG 4.45Å; V409-L420 PolarHBondContact N-O 3.15Å; V409-L420 PolarHBondContact O-N 3.45Å
410	A	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.5	-179.9	0	0	0	0	0	111.6	T304 I305 M412 T417 V418 W419	T304-A410 WeakPolarHBondContact CB-O 3.3Å; T304-A410 PolarHBondContact N-O 3.39Å; I305-A410 HydrophobicContact CD1-CB 4.05Å; I305-A410 HydrophobicContact CG1-CB 3.64Å; I305-A410 PolarHBondContact N-O 2.84Å; I305-A410 PolarHBondContact O-N 2.96Å; A410-M412 HydrophobicContact CB-CG 4.37Å; A410-T417 HydrophobicContact CB-CG2 3.82Å; A410-V418 WeakPolarHBondContact CA-O 3.41Å; A410-W419 HydrophobicContact CB-CD2 3.68Å; A410-W419 HydrophobicContact CB-CE3 3.69Å; A410-W419 HydrophobicContact CB-CG 4.43Å; A410-W419 HydrophobicContact CB-CH2 3.77Å; A410-W419 HydrophobicContact CB-CZ2 3.74Å; A410-W419 HydrophobicContact CB-CZ3 3.74Å
411	F	98.8	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	93.5	173.4	-55.7	-85.3	0	0	0	108.3	Y188 A191 F302 P303 V409 G413 T417 V418 L420	Y188-F411 AromaticContact CD1-CE1 3.92Å; Y188-F411 HydrophobicContact CD1-CE1 3.92Å; Y188-F411 AromaticContact CD1-CZ 3.97Å; Y188-F411 HydrophobicContact CD1-CZ 3.97Å; Y188-F411 HydrophobicContact CD2-CZ 4.12Å; Y188-F411 AromaticContact CE1-CE1 3.53Å; Y188-F411 HydrophobicContact CE1-CE1 3.53Å; Y188-F411 AromaticContact CE1-CZ 3.67Å; Y188-F411 HydrophobicContact CE1-CZ 3.67Å; Y188-F411 AromaticContact CE2-CZ 3.81Å; Y188-F411 HydrophobicContact CE2-CZ 3.81Å; Y188-F411 HydrophobicContact CG-CZ 4.2Å; Y188-F411 AromaticContact CZ-CE1 3.85Å; Y188-F411 AromaticContact CZ-CZ 3.58Å; A191-F411 HydrophobicContact CB-CB 3.74Å; A191-F411 HydrophobicContact CB-CD1 4.16Å; A191-F411 HydrophobicContact CB-CD2 3.69Å; A191-F411 HydrophobicContact CB-CE2 4.35Å; A191-F411 HydrophobicContact CB-CG 3.59Å; F302-F411 HydrophobicContact CB-CD1 3.84Å; F302-F411 HydrophobicContact CB-CE1 4.45Å; F302-F411 HydrophobicContact CD1-CB 4.38Å; F302-F411 HydrophobicContact CD2-CB 3.9Å; F302-F411 AromaticContact CD2-CD1 3.68Å; F302-F411 HydrophobicContact CD2-CD1 3.68Å; F302-F411 HydrophobicContact CD2-CG 4.19Å; F302-F411 HydrophobicContact CE1-CB 4.26Å; F302-F411 HydrophobicContact CE2-CB 3.78Å; F302-F411 HydrophobicContact CE2-CD1 4.41Å; F302-F411 HydrophobicContact CE2-CG 4.48Å; F302-F411 HydrophobicContact CG-CB 4.19Å; F302-F411 AromaticContact CG-CD1 3.79Å; F302-F411 HydrophobicContact CG-CD1 3.79Å; F302-F411 HydrophobicContact CG-CG 4.49Å; F302-F411 HydrophobicContact CZ-CB 3.96Å; P303-F411 HydrophobicContact CB-CD1 4.19Å; P303-F411 HydrophobicContact CB-CE1 3.9Å; P303-F411 HydrophobicContact CB-CZ 4.34Å; V409-F411 HydrophobicContact CG2-CE2 4.22Å; V409-F411 HydrophobicContact CG2-CZ 4.2Å; F411-G413 VanDerWaalsContact C-N 3.35Å; F411-G413 PolarHBondContact O-N 3.08Å; F411-T417 WeakPolarHBondContact O-CA 3.25Å; F411-V418 HydrophobicContact CB-CB 4.49Å; F411-V418 HydrophobicContact CD2-CB 4.47Å; F411-V418 WeakPolarHBondContact CD2-O 3.39Å; F411-V418 PolarHBondContact N-O 3Å; F411-V418 PolarHBondContact O-N 3.46Å; F411-V418 VanDerWaalsContact O-N 3.12Å; F411-L420 HydrophobicContact CE2-CB 4.05Å
412	M	98.6	Very high	98.5	Very high	85 Å²	85	29.1 Å²	29.1	42%	0.419	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	74.7	-173.6	-62.1	-178.1	63.6	0	0	111.2	K300 T304 I305 A410 T417	K300-M412 PolarHBondContact NZ-O 2.84Å; T304-M412 HydrophobicContact CG2-CB 4.06Å; T304-M412 HydrophobicContact CG2-CG 4.34Å; T304-M412 HydrophobicContact CG2-SD 4.29Å; T304-M412 PolarHBondContact OG1-N 2.94Å; I305-M412 HydrophobicContact CD1-SD 4.3Å; I305-M412 HydrophobicContact CG1-SD 4.5Å; I305-M412 HydrophobicContact CG2-SD 4.12Å; A410-M412 HydrophobicContact CB-CG 4.37Å; M412-T417 HydrophobicContact CG-CG2 3.96Å
413	G	97.7	Very high	98.5	Very high	14 Å²	14	29.4 Å²	29.4	14%	0.144	16%	0.162	C	C	.	.			trans	-77.9	171.2	177.8	0	0	0	0	0	113.9	N195 D198 F411 V415 M416	N195-G413 VanDerWaalsContact CG-CA 3.5Å; N195-G413 VanDerWaalsContact OD1-CA 3.25Å; N195-G413 WeakPolarHBondContact OD1-CA 3.33Å; D198-G413 WeakPolarHBondContact OD2-CA 3.42Å; F411-G413 VanDerWaalsContact C-N 3.35Å; F411-G413 PolarHBondContact O-N 3.08Å; G413-V415 VanDerWaalsContact C-N 3.29Å; G413-M416 PolarHBondContact N-O 2.81Å
414	S	98.1	Very high	98.4	Very high	79 Å²	79	30.3 Å²	30.3	55%	0.552	17%	0.168	S	C	*	.	S	Bend	trans	-77.2	-17.3	-176.9	-56.7	0	0	0	0	113	N195 D198 K300	N195-S414 PolarHBondContact OD1-N 3.27Å; D198-S414 WeakPolarHBondContact OD1-CB 3.39Å; D198-S414 PolarHBondContact OD1-OG 3.13Å; D198-S414 PolarHBondContact OD2-N 3.08Å; D198-S414 PolarHBondContact OD2-OG 2.99Å; K300-S414 WeakPolarHBondContact CE-OG 3.19Å; K300-S414 PolarHBondContact NZ-OG 2.75Å
415	V	98.3	Very high	98.3	Very high	82 Å²	82	35 Å²	35	50%	0.497	20%	0.196	S	C	.	.	S	Bend	trans	-96.4	-46.5	177.2	-174.9	0	0	0	0	110.1	N195 T197 G413	N195-V415 WeakPolarHBondContact OD1-CA 3.43Å; N195-V415 WeakPolarHBondContact OD1-CB 3.48Å; N195-V415 PolarHBondContact OD1-N 3.14Å; T197-V415 HydrophobicContact CG2-CG2 4.26Å; G413-V415 VanDerWaalsContact C-N 3.29Å
416	M	98.1	Very high	98.2	Very high	75 Å²	75	40 Å²	40	37%	0.369	22%	0.22	S	C	.	.			trans	-159	153.6	179.6	63.4	-176.6	74.7	0	0	113.1	Q194 N195 G413 V418	Q194-M416 HydrophobicContact CB-CE 4.06Å; Q194-M416 HydrophobicContact CB-CG 4.35Å; Q194-M416 HydrophobicContact CB-SD 3.81Å; Q194-M416 HydrophobicContact CG-SD 4.29Å; N195-M416 PolarHBondContact ND2-O 3.3Å; N195-M416 PolarHBondContact OD1-N 2.85Å; N195-M416 PolarHBondContact OD1-O 3.17Å; G413-M416 PolarHBondContact N-O 2.81Å; M416-V418 HydrophobicContact CG-CG2 4.06Å; M416-V418 HydrophobicContact SD-CG2 4.22Å
417	T	98.6	Very high	98	Very high	66 Å²	66	43 Å²	43	41%	0.405	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125	164.9	-56	0	0	0	0	110.1	A410 F411 M412	A410-T417 HydrophobicContact CB-CG2 3.82Å; F411-T417 WeakPolarHBondContact O-CA 3.25Å; M412-T417 HydrophobicContact CG-CG2 3.96Å
418	V	98.6	Very high	97.8	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.085	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.2	170.9	179.7	0	0	0	0	108.9	T187 A191 A410 F411 M416	T187-V418 HydrophobicContact CG2-CG1 3.89Å; A191-V418 HydrophobicContact CB-CB 3.92Å; A191-V418 HydrophobicContact CB-CG1 4.08Å; A191-V418 HydrophobicContact CB-CG2 4.33Å; A410-V418 WeakPolarHBondContact CA-O 3.41Å; F411-V418 HydrophobicContact CB-CB 4.49Å; F411-V418 HydrophobicContact CD2-CB 4.47Å; F411-V418 WeakPolarHBondContact CD2-O 3.39Å; F411-V418 PolarHBondContact N-O 3Å; F411-V418 PolarHBondContact O-N 3.46Å; F411-V418 VanDerWaalsContact O-N 3.12Å; M416-V418 HydrophobicContact CG-CG2 4.06Å; M416-V418 HydrophobicContact SD-CG2 4.22Å
419	W	98.6	Very high	97.7	Very high	118 Å²	118	45 Å²	45	45%	0.447	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.7	178.6	-69.8	85.7	0	0	0	111.1	T187 I305 D307 D408 V409 A410	T187-W419 WeakPolarHBondContact CG2-O 3.38Å; I305-W419 HydrophobicContact CD1-CH2 4Å; D307-W419 WeakPolarHBondContact OD2-CH2 3.44Å; D307-W419 WeakPolarHBondContact OD2-CZ3 3.43Å; D408-W419 HydrophobicContact CB-CE3 3.95Å; D408-W419 HydrophobicContact CB-CZ3 4.06Å; V409-W419 WeakPolarHBondContact O-CA 3.4Å; A410-W419 HydrophobicContact CB-CD2 3.68Å; A410-W419 HydrophobicContact CB-CE3 3.69Å; A410-W419 HydrophobicContact CB-CG 4.43Å; A410-W419 HydrophobicContact CB-CH2 3.77Å; A410-W419 HydrophobicContact CB-CZ2 3.74Å; A410-W419 HydrophobicContact CB-CZ3 3.74Å
420	L	98.6	Very high	97.4	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.1	160.1	172.7	141.9	0	0	0	106.9	R184 T187 Y188 M275 F407 D408 V409 F411 W431	R184-L420 HydrophobicContact CB-CD1 4.44Å; T187-L420 HydrophobicContact CG2-CB 3.84Å; Y188-L420 HydrophobicContact CD2-CD1 4.32Å; Y188-L420 HydrophobicContact CE2-CD1 4.27Å; M275-L420 HydrophobicContact CE-CD2 4.07Å; F407-L420 HydrophobicContact CE2-CD2 4.47Å; D408-L420 CarbonylContact C-O 3.49Å; D408-L420 WeakPolarHBondContact CA-O 3.48Å; V409-L420 HydrophobicContact CG2-CB 3.9Å; V409-L420 HydrophobicContact CG2-CD2 3.82Å; V409-L420 HydrophobicContact CG2-CG 4.45Å; V409-L420 PolarHBondContact N-O 3.15Å; V409-L420 PolarHBondContact O-N 3.45Å; F411-L420 HydrophobicContact CE2-CB 4.05Å; L420-W431 HydrophobicContact CD1-CH2 4.31Å; L420-W431 HydrophobicContact CD1-CZ3 4.18Å; L420-W431 HydrophobicContact CD2-CH2 4.15Å; L420-W431 HydrophobicContact CD2-CZ3 3.88Å
421	S	98.4	Very high	97.3	Very high	25 Å²	25	47.7 Å²	47.7	18%	0.175	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.1	-178.4	178.2	0	0	0	0	110.8	D408 A423	D408-S421 WeakPolarHBondContact OD1-CA 3.45Å; D408-S421 WeakPolarHBondContact OD1-CB 3.44Å; D408-S421 PolarHBondContact OD1-OG 2.88Å; S421-A423 VanDerWaalsContact OG-CB 3.3Å; S421-A423 WeakPolarHBondContact OG-CB 3.49Å; S421-A423 PolarHBondContact OG-N 3.09Å; S421-A423 VanDerWaalsContact OG-N 3.09Å
422	T	98.4	Very high	97.2	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	27%	0.272	C	S	.	.			trans	-113.4	16.8	168.7	66.1	0	0	0	0	111.8	F407 D408 T429 W431 Q433	F407-T422 HydrophobicContact CD1-CG2 4.41Å; F407-T422 HydrophobicContact CD2-CG2 4.38Å; F407-T422 HydrophobicContact CE1-CG2 3.98Å; F407-T422 HydrophobicContact CE2-CG2 3.93Å; F407-T422 HydrophobicContact CZ-CG2 3.72Å; F407-T422 PolarHBondContact N-OG1 3.36Å; F407-T422 WeakPolarHBondContact O-CB 3.4Å; F407-T422 PolarHBondContact O-N 3.22Å; F407-T422 PolarHBondContact O-OG1 3.06Å; D408-T422 PolarHBondContact OD1-N 3.02Å; T422-T429 HydrophobicContact CG2-CG2 4.47Å; T422-W431 HydrophobicContact CG2-CB 4.17Å; T422-W431 HydrophobicContact CG2-CD2 4.23Å; T422-W431 HydrophobicContact CG2-CE3 3.73Å; T422-W431 HydrophobicContact CG2-CG 4.45Å; T422-W431 HydrophobicContact CG2-CZ3 4.47Å; T422-Q433 PolarHBondContact O-NE2 3.32Å
423	A	98.2	Very high	97.2	Very high	6 Å²	6	45.8 Å²	45.8	5%	0.05	25%	0.253	C	S	.	.			trans	-60.3	146.3	-179.6	0	0	0	0	0	112.3	W406 S421 T425 E426	W406-A423 HydrophobicContact CG-CB 4.33Å; S421-A423 VanDerWaalsContact OG-CB 3.3Å; S421-A423 WeakPolarHBondContact OG-CB 3.49Å; S421-A423 PolarHBondContact OG-N 3.09Å; S421-A423 VanDerWaalsContact OG-N 3.09Å; A423-T425 PolarHBondContact O-N 3.39Å; A423-E426 HydrophobicContact CB-CG 4.31Å; A423-E426 PolarHBondContact O-N 3.27Å
424	P	97.1	Very high	97.3	Very high	20 Å²	20	45.3 Å²	45.3	13%	0.13	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-3.5	176.9	29.4	-36.2	0	0	0	113.7	F359 I361 W406 Q433	F359-P424 HydrophobicContact CD2-CB 4.26Å; F359-P424 HydrophobicContact CE2-CB 3.72Å; F359-P424 HydrophobicContact CE2-CG 3.7Å; F359-P424 HydrophobicContact CZ-CB 3.99Å; F359-P424 HydrophobicContact CZ-CG 3.87Å; I361-P424 HydrophobicContact CG2-CB 3.89Å; I361-P424 HydrophobicContact CG2-CG 4.03Å; I361-P424 WeakPolarHBondContact CG2-O 3.24Å; W406-P424 HydrophobicContact CD2-CG 4.44Å; W406-P424 HydrophobicContact CE3-CG 4.25Å; W406-P424 HydrophobicContact CZ3-CG 4.36Å; P424-Q433 HydrophobicContact CB-CG 4.26Å
425	T	96.3	Very high	97.3	Very high	97 Å²	97	41.6 Å²	41.6	60%	0.595	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-14.8	170	49.7	0	0	0	0	113.6	I361 A423	I361-T425 HydrophobicContact CD1-CG2 4.28Å; I361-T425 HydrophobicContact CG2-CG2 3.89Å; A423-T425 PolarHBondContact O-N 3.39Å
426	E	96.4	Very high	97.3	Very high	107 Å²	107	37.7 Å²	37.7	50%	0.5	20%	0.198	S	C	.	.	S	Bend	trans	-104.7	165.6	-173.4	-69	-60.9	140.2	0	0	111.8	A423 L428	A423-E426 HydrophobicContact CB-CG 4.31Å; A423-E426 PolarHBondContact O-N 3.27Å; E426-L428 PolarHBondContact O-N 3.33Å
427	P	95.1	Very high	97.3	Very high	83 Å²	83	34.3 Å²	34.3	54%	0.539	18%	0.181	S	C	.	.			trans	-56	137	175	-26.1	36.1	0	0	0	112.5	V183 T429	V183-P427 HydrophobicContact CG2-CB 4.09Å; P427-T429 PolarHBondContact O-N 3.37Å
428	L	93.9	Very high	97.3	Very high	64 Å²	64	31.3 Å²	31.3	34%	0.335	16%	0.162	S	C	.	.			trans	-62.9	135.4	-173.3	-169.9	62.5	0	0	0	112.6	T358 E426 Y432 Y492	T358-L428 HydrophobicContact CG2-CD1 4.14Å; T358-L428 HydrophobicContact CG2-CD2 4.1Å; E426-L428 PolarHBondContact O-N 3.33Å; L428-Y432 HydrophobicContact CD1-CD1 3.85Å; L428-Y432 HydrophobicContact CD1-CE1 4.49Å; L428-Y432 HydrophobicContact CD2-CD1 4.01Å; L428-Y432 HydrophobicContact CD2-CE1 3.88Å; L428-Y432 HydrophobicContact CG-CD1 4.2Å; L428-Y432 HydrophobicContact CG-CE1 4.36Å; L428-Y492 HydrophobicContact CD2-CE2 3.7Å
429	T	95.7	Very high	97.1	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.031	18%	0.176	C	C	.	.			trans	-112.3	166.1	175.2	63.4	0	0	0	0	110.4	D181 V183 T422 P427 W431 Y432	D181-T429 WeakPolarHBondContact OD2-CA 3.36Å; D181-T429 WeakPolarHBondContact OD2-CB 3.46Å; V183-T429 HydrophobicContact CB-CG2 4.03Å; V183-T429 HydrophobicContact CG1-CG2 3.8Å; T422-T429 HydrophobicContact CG2-CG2 4.47Å; P427-T429 PolarHBondContact O-N 3.37Å; T429-W431 HydrophobicContact CG2-CE3 4.28Å; T429-W431 PolarHBondContact O-N 2.9Å; T429-Y432 PolarHBondContact O-N 3.03Å
430	H	93.1	Very high	97	Very high	49 Å²	49	32.2 Å²	32.2	23%	0.227	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.9	176.5	74.6	-65	0	0	0	114.5	D181 R184 Y432	D181-H430 IonicContact OD2-CE1 2.7Å; D181-H430 IonicContact OD2-CG 3.38Å; D181-H430 PolarHBondContact OD2-N 3.07Å; D181-H430 IonicContact OD2-ND1 2.87Å; D181-H430 PolarHBondContact OD2-ND1 2.73Å; R184-H430 PolarHBondContact NH1-CE1 3.41Å; R184-H430 PolarHBondContact NH1-NE2 2.99Å; H430-Y432 VanDerWaalsContact C-N 3.32Å; H430-Y432 WeakPolarHBondContact O-CD2 3.5Å; H430-Y432 VanDerWaalsContact O-CE2 3.26Å; H430-Y432 WeakPolarHBondContact O-CE2 3.27Å
431	W	96.6	Very high	97	Very high	9 Å²	9	33.9 Å²	33.9	3%	0.034	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.6	172	-66.5	-74.5	0	0	0	113.3	R184 E273 M275 Y277 F407 L420 T422 T429	R184-W431 HydrophobicContact CB-CH2 4.09Å; R184-W431 HydrophobicContact CB-CZ3 4.03Å; R184-W431 HydrophobicContact CG-CH2 3.86Å; R184-W431 HydrophobicContact CG-CZ3 4.32Å; E273-W431 HydrophobicContact CG-CZ2 4.3Å; E273-W431 WeakPolarHBondContact OE1-CZ2 3.4Å; M275-W431 HydrophobicContact CB-CZ2 4.26Å; M275-W431 HydrophobicContact CE-CH2 3.82Å; M275-W431 HydrophobicContact CE-CZ2 3.8Å; M275-W431 PolarHBondContact O-NE1 2.84Å; Y277-W431 WeakPolarHBondContact CD1-O 3.31Å; F407-W431 HydrophobicContact CE1-CB 4.16Å; F407-W431 HydrophobicContact CE1-CD2 4.45Å; F407-W431 AromaticContact CE1-CG 3.98Å; F407-W431 HydrophobicContact CE1-CG 3.98Å; F407-W431 HydrophobicContact CZ-CB 4.35Å; F407-W431 AromaticContact CZ-CD1 3.91Å; F407-W431 AromaticContact CZ-CD2 3.77Å; F407-W431 HydrophobicContact CZ-CD2 3.77Å; F407-W431 AromaticContact CZ-CE2 3.91Å; F407-W431 HydrophobicContact CZ-CE3 4.32Å; F407-W431 AromaticContact CZ-CG 3.78Å; F407-W431 HydrophobicContact CZ-CG 3.78Å; F407-W431 AromaticContact CZ-NE1 3.97Å; L420-W431 HydrophobicContact CD1-CH2 4.31Å; L420-W431 HydrophobicContact CD1-CZ3 4.18Å; L420-W431 HydrophobicContact CD2-CH2 4.15Å; L420-W431 HydrophobicContact CD2-CZ3 3.88Å; T422-W431 HydrophobicContact CG2-CB 4.17Å; T422-W431 HydrophobicContact CG2-CD2 4.23Å; T422-W431 HydrophobicContact CG2-CE3 3.73Å; T422-W431 HydrophobicContact CG2-CG 4.45Å; T422-W431 HydrophobicContact CG2-CZ3 4.47Å; T429-W431 HydrophobicContact CG2-CE3 4.28Å; T429-W431 PolarHBondContact O-N 2.9Å
432	Y	97.3	Very high	97	Very high	40 Å²	40	33 Å²	33	16%	0.157	18%	0.183	C	C	.	.			trans	50.1	-147.2	-170.6	-54.8	-92	0	0	0	111.6	V356 L428 T429 H430 Y492	V356-Y432 HydrophobicContact CG1-CD2 3.91Å; V356-Y432 HydrophobicContact CG1-CG 4.24Å; L428-Y432 HydrophobicContact CD1-CD1 3.85Å; L428-Y432 HydrophobicContact CD1-CE1 4.49Å; L428-Y432 HydrophobicContact CD2-CD1 4.01Å; L428-Y432 HydrophobicContact CD2-CE1 3.88Å; L428-Y432 HydrophobicContact CG-CD1 4.2Å; L428-Y432 HydrophobicContact CG-CE1 4.36Å; T429-Y432 PolarHBondContact O-N 3.03Å; H430-Y432 VanDerWaalsContact C-N 3.32Å; H430-Y432 WeakPolarHBondContact O-CD2 3.5Å; H430-Y432 VanDerWaalsContact O-CE2 3.26Å; H430-Y432 WeakPolarHBondContact O-CE2 3.27Å; Y432-Y492 HydrophobicContact CD1-CD1 4.45Å; Y432-Y492 AromaticContact CD1-CD2 3.99Å; Y432-Y492 HydrophobicContact CD1-CD2 3.99Å; Y432-Y492 HydrophobicContact CD1-CE2 4.49Å; Y432-Y492 AromaticContact CD1-CG 3.94Å; Y432-Y492 HydrophobicContact CD1-CG 3.94Å; Y432-Y492 AromaticContact CE1-CD1 3.4Å; Y432-Y492 HydrophobicContact CE1-CD1 3.4Å; Y432-Y492 AromaticContact CE1-CD2 3.63Å; Y432-Y492 HydrophobicContact CE1-CD2 3.63Å; Y432-Y492 AromaticContact CE1-CE1 3.76Å; Y432-Y492 HydrophobicContact CE1-CE1 3.76Å; Y432-Y492 AromaticContact CE1-CE2 3.99Å; Y432-Y492 HydrophobicContact CE1-CE2 3.99Å; Y432-Y492 AromaticContact CE1-CG 3.29Å; Y432-Y492 HydrophobicContact CE1-CG 3.29Å; Y432-Y492 AromaticContact CZ-CD1 3.74Å; Y432-Y492 AromaticContact CZ-CG 3.98Å; Y432-Y492 WeakPolarHBondContact OH-CD1 3.33Å
433	Q	98.5	Very high	97	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.023	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	166.7	164.2	-65.2	80.8	45.7	0	0	108.9	D357 T358 F359 W406 T422 P424	D357-Q433 PolarHBondContact N-O 2.89Å; D357-Q433 CarbonylContact O-C 3.19Å; D357-Q433 PolarHBondContact O-N 3.45Å; T358-Q433 PolarHBondContact OG1-OE1 3.27Å; F359-Q433 HydrophobicContact CD1-CB 4.33Å; F359-Q433 HydrophobicContact CE1-CB 3.55Å; F359-Q433 HydrophobicContact CE1-CG 4.1Å; F359-Q433 HydrophobicContact CZ-CB 4.22Å; F359-Q433 HydrophobicContact CZ-CG 4.35Å; W406-Q433 HydrophobicContact CB-CG 4.03Å; T422-Q433 PolarHBondContact O-NE2 3.32Å; P424-Q433 HydrophobicContact CB-CG 4.26Å
434	V	98.7	Very high	97	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131	-179.8	-173	0	0	0	0	110.5	Y277 M278 P354 I355 V356 A404 F405	Y277-V434 HydrophobicContact CD1-CG2 4.5Å; M278-V434 HydrophobicContact CG-CB 3.59Å; M278-V434 HydrophobicContact CG-CG1 3.82Å; M278-V434 HydrophobicContact CG-CG2 3.71Å; M278-V434 HydrophobicContact SD-CB 4.13Å; M278-V434 HydrophobicContact SD-CG1 3.75Å; P354-V434 HydrophobicContact CB-CG1 3.58Å; I355-V434 CarbonylContact O-C 3.58Å; I355-V434 WeakPolarHBondContact O-CA 3.5Å; V356-V434 HydrophobicContact CG2-CG2 4.29Å; A404-V434 CarbonylContact C-O 3.59Å; A404-V434 WeakPolarHBondContact CA-O 3.4Å; F405-V434 PolarHBondContact N-O 3.19Å; F405-V434 PolarHBondContact O-N 2.89Å
435	R	98.8	Very high	97	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.2	179.9	-62.7	-169.7	-77.8	160.6	-0.4	110.7	F313 D315 L318 I355 D357 F359 A404	F313-R435 HydrophobicContact CE1-CB 3.83Å; F313-R435 HydrophobicContact CE1-CG 4.17Å; F313-R435 HydrophobicContact CZ-CB 3.93Å; F313-R435 HydrophobicContact CZ-CG 4.45Å; D315-R435 IonicContact OD2-CZ 3.25Å; D315-R435 IonicContact OD2-NH1 2.8Å; D315-R435 PolarHBondContact OD2-NH1 2.94Å; D315-R435 IonicContact OD2-NH2 3.86Å; L318-R435 HydrophobicContact CD2-CB 4.49Å; I355-R435 HydrophobicContact CB-CB 4.3Å; I355-R435 PolarHBondContact N-O 3.48Å; I355-R435 PolarHBondContact O-N 3.09Å; D357-R435 IonicContact OD1-CZ 3.94Å; D357-R435 VanDerWaalsContact OD1-CZ 3.26Å; D357-R435 IonicContact OD1-NE 2.75Å; D357-R435 PolarHBondContact OD1-NE 3.08Å; D357-R435 IonicContact OD1-NH2 3.85Å; D357-R435 PolarHBondContact OD1-NH2 2.86Å; D357-R435 IonicContact OD2-CZ 2.86Å; D357-R435 IonicContact OD2-NH2 2.91Å; D357-R435 PolarHBondContact OD2-NH2 3.26Å; F359-R435 VanDerWaalsContact CD1-CD 3.46Å; F359-R435 HydrophobicContact CD1-CG 4.01Å; F359-R435 HydrophobicContact CE1-CG 3.87Å; A404-R435 HydrophobicContact CB-CG 4.02Å
436	C	98.7	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.5	177.3	-59.8	0	0	0	0	108.8	G402 L403 F405 I468 L483	G402-C436 CarbonylContact C-O 3.58Å; G402-C436 WeakPolarHBondContact CA-O 3.31Å; L403-C436 PolarHBondContact N-O 3.42Å; L403-C436 PolarHBondContact O-N 3.14Å; F405-C436 HydrophobicContact CE2-CB 3.99Å; C436-I468 HydrophobicContact CB-CD1 3.45Å; C436-I468 VanDerWaalsContact CB-CD1 3.45Å; C436-L483 HydrophobicContact CB-CD1 4.03Å; C436-L483 HydrophobicContact CB-CD2 3.66Å
437	L	98.7	Very high	97.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	151.2	177.1	-66.8	168.6	0	0	0	111	F313 L318 Y319 Q322 F351 H401 N481	F313-L437 HydrophobicContact CE2-CD2 4.23Å; F313-L437 HydrophobicContact CZ-CD2 3.87Å; L318-L437 HydrophobicContact CD2-CD2 4.06Å; L318-L437 HydrophobicContact CG-CD1 4.4Å; L318-L437 HydrophobicContact CG-CD2 4.26Å; Y319-L437 HydrophobicContact CD2-CD2 4.35Å; Q322-L437 HydrophobicContact CG-CD1 3.61Å; F351-L437 HydrophobicContact CD1-CB 3.82Å; F351-L437 HydrophobicContact CD1-CD1 4.23Å; F351-L437 HydrophobicContact CE1-CB 3.87Å; F351-L437 HydrophobicContact CE1-CD1 3.94Å; F351-L437 HydrophobicContact CE1-CG 4.48Å; F351-L437 HydrophobicContact CZ-CD1 4.5Å; H401-L437 HydrophobicContact CB-CD2 4.43Å; H401-L437 WeakPolarHBondContact O-CA 3.42Å; L437-N481 WeakPolarHBondContact O-CB 3.23Å; L437-N481 PolarHBondContact O-ND2 2.89Å
438	L	98.2	Very high	97.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	146.8	162.1	-68.6	170.6	0	0	0	108.9	F351 H401 S440 L442 I468 A470	F351-L438 WeakPolarHBondContact CE1-O 3.5Å; H401-L438 PolarHBondContact O-N 3.26Å; L438-S440 VanDerWaalsContact C-N 3.29Å; L438-S440 WeakPolarHBondContact CB-O 3.38Å; L438-S440 PolarHBondContact O-N 3.47Å; L438-L442 HydrophobicContact CD1-CD1 4.13Å; L438-L442 HydrophobicContact CD1-CG 4.25Å; L438-I468 HydrophobicContact CD2-CG2 4.21Å; L438-A470 HydrophobicContact CD2-CB 4.39Å
439	Q	94	Very high	97.5	Very high	80 Å²	80	32.9 Å²	32.9	37%	0.374	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-39.1	176.1	-71.6	-169.7	-50.4	0	0	112.1	Y319 D348 N481	Y319-Q439 PolarHBondContact OH-O 3.27Å; Y319-Q439 VanDerWaalsContact OH-O 3.07Å; D348-Q439 PolarHBondContact OD1-NE2 3.32Å; Q439-N481 HydrophobicContact CG-CB 4.28Å
440	S	96.7	Very high	97.7	Very high	72 Å²	72	32.7 Å²	32.7	50%	0.503	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.1	171.6	-62.6	0	0	0	0	109.2	L438 S479	L438-S440 VanDerWaalsContact C-N 3.29Å; L438-S440 WeakPolarHBondContact CB-O 3.38Å; L438-S440 PolarHBondContact O-N 3.47Å; S440-S479 PolarHBondContact N-OG 3.47Å; S440-S479 VanDerWaalsContact O-CB 3.23Å; S440-S479 WeakPolarHBondContact O-CB 3.46Å; S440-S479 PolarHBondContact O-OG 3.31Å
441	P	98.1	Very high	97.9	Very high	37 Å²	37	31.9 Å²	31.9	24%	0.24	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	150	177.5	29.1	-34.8	0	0	0	110.6	Y319 L399 V400	Y319-P441 HydrophobicContact CE2-CG 4.46Å; Y319-P441 VanDerWaalsContact OH-CD 3.31Å; Y319-P441 WeakPolarHBondContact OH-CD 3.44Å; L399-P441 HydrophobicContact CB-CB 4.3Å; L399-P441 HydrophobicContact CD2-CB 4.4Å; V400-P441 CarbonylContact O-C 3.57Å; V400-P441 VanDerWaalsContact O-CA 3.23Å; V400-P441 WeakPolarHBondContact O-CA 3.22Å; V400-P441 WeakPolarHBondContact O-CB 3.45Å
442	L	98.5	Very high	98	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.1	-179.2	-68.8	175.7	0	0	0	110.5	V400 L438 A444 L450 A470 V472	V400-L442 HydrophobicContact CB-CB 4.42Å; V400-L442 WeakPolarHBondContact CB-O 3.11Å; V400-L442 PolarHBondContact N-O 3.09Å; V400-L442 PolarHBondContact O-N 3.34Å; L438-L442 HydrophobicContact CD1-CD1 4.13Å; L438-L442 HydrophobicContact CD1-CG 4.25Å; L442-A444 PolarHBondContact O-N 2.93Å; L442-L450 HydrophobicContact CD1-CD1 3.8Å; L442-A470 HydrophobicContact CD1-CB 4.04Å; L442-V472 HydrophobicContact CB-CG2 4.13Å
443	F	98.5	Very high	98.1	Very high	108 Å²	108	32.5 Å²	32.5	47%	0.474	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.3	171.3	-175.2	-93.9	0	0	0	110.3	G398 L399 K445	G398-F443 WeakPolarHBondContact O-CA 3.41Å; L399-F443 HydrophobicContact CD2-CB 3.97Å; L399-F443 HydrophobicContact CD2-CD2 4.23Å; F443-K445 HydrophobicContact CE1-CG 3.8Å; F443-K445 HydrophobicContact CZ-CG 4.39Å
444	A	98.2	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.6	174.1	0	0	0	0	0	110.2	M394 S397 G398 V400 L442 D448 V472	M394-A444 HydrophobicContact CE-CB 4.2Å; M394-A444 HydrophobicContact CG-CB 4.04Å; S397-A444 CarbonylContact C-O 3.55Å; S397-A444 VanDerWaalsContact CA-O 3.31Å; S397-A444 WeakPolarHBondContact CA-O 3.35Å; G398-A444 PolarHBondContact N-O 3.06Å; G398-A444 PolarHBondContact O-N 2.88Å; V400-A444 HydrophobicContact CG2-CB 4.43Å; L442-A444 PolarHBondContact O-N 2.93Å; A444-D448 HydrophobicContact CB-CB 4.43Å; A444-V472 HydrophobicContact CB-CG1 4.38Å; A444-V472 HydrophobicContact CB-CG2 3.99Å
445	K	97.8	Very high	98.1	Very high	120 Å²	120	34.4 Å²	34.4	52%	0.522	21%	0.208	S	C	.	.			trans	-98	155.5	175.5	-56.4	-179.5	-175.9	-179.2	0	110.4	M394 S397 F443 G447 D448	M394-K445 WeakPolarHBondContact CB-O 3.01Å; S397-K445 WeakPolarHBondContact OG-CA 3.37Å; F443-K445 HydrophobicContact CE1-CG 3.8Å; F443-K445 HydrophobicContact CZ-CG 4.39Å; K445-G447 PolarHBondContact O-N 2.97Å; K445-D448 WeakPolarHBondContact CB-OD2 3.03Å; K445-D448 PolarHBondContact N-OD2 3.41Å; K445-D448 VanDerWaalsContact O-CB 3.24Å; K445-D448 WeakPolarHBondContact O-CB 3.38Å; K445-D448 PolarHBondContact O-N 3.26Å
446	A	98	Very high	98.1	Very high	53 Å²	53	34.4 Å²	34.4	44%	0.438	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	130.2	166.4	0	0	0	0	0	109.9	M394 S397	M394-A446 WeakPolarHBondContact O-CA 3.48Å; S397-A446 PolarHBondContact OG-N 2.94Å
447	G	97	Very high	98.1	Very high	60 Å²	60	37.2 Å²	37.2	62%	0.619	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	-18.1	-171.3	0	0	0	0	0	115.2	M394 K445	M394-G447 PolarHBondContact O-N 2.81Å; K445-G447 PolarHBondContact O-N 2.97Å
448	D	98.4	Very high	98.1	Very high	24 Å²	24	38.1 Å²	38.1	13%	0.128	23%	0.233	C	C	.	.			trans	-66.6	168.5	170.5	-71.2	-19.3	0	0	0	110.6	M394 A444 K445 V472 Q474	M394-D448 WeakPolarHBondContact CB-O 3.15Å; M394-D448 HydrophobicContact CG-CB 4.43Å; M394-D448 WeakPolarHBondContact CG-O 3.48Å; M394-D448 PolarHBondContact N-O 2.87Å; A444-D448 HydrophobicContact CB-CB 4.43Å; K445-D448 WeakPolarHBondContact CB-OD2 3.03Å; K445-D448 PolarHBondContact N-OD2 3.41Å; K445-D448 VanDerWaalsContact O-CB 3.24Å; K445-D448 WeakPolarHBondContact O-CB 3.38Å; K445-D448 PolarHBondContact O-N 3.26Å; D448-V472 HydrophobicContact CB-CG1 4.24Å; D448-Q474 WeakPolarHBondContact OD1-CG 3.3Å
449	T	98.7	Very high	97.9	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.9	177.1	-55.3	0	0	0	0	111	K391 F392 H393 D473 Q474	K391-T449 HydrophobicContact CD-CG2 3.96Å; K391-T449 HydrophobicContact CG-CG2 3.35Å; F392-T449 CarbonylContact O-C 3.51Å; F392-T449 VanDerWaalsContact O-CA 3.27Å; F392-T449 WeakPolarHBondContact O-CA 3.25Å; F392-T449 WeakPolarHBondContact O-CG2 3.45Å; H393-T449 PolarHBondContact ND1-OG1 3.2Å; T449-D473 WeakPolarHBondContact CG2-OD2 3.46Å; T449-D473 PolarHBondContact O-N 3.44Å; T449-Q474 PolarHBondContact O-OE1 3.41Å
450	L	98.8	Very high	97.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.8	174.5	-176.5	79.8	0	0	0	108.4	P312 F392 M394 V400 L442 A470 Q471 V472	P312-L450 HydrophobicContact CB-CD2 3.88Å; P312-L450 HydrophobicContact CG-CD2 4.44Å; F392-L450 HydrophobicContact CB-CB 4.28Å; F392-L450 HydrophobicContact CD2-CD2 4.13Å; F392-L450 PolarHBondContact N-O 2.67Å; F392-L450 PolarHBondContact O-N 2.67Å; M394-L450 HydrophobicContact SD-CB 3.88Å; V400-L450 HydrophobicContact CG1-CD2 4.05Å; V400-L450 HydrophobicContact CG2-CD2 4.42Å; L442-L450 HydrophobicContact CD1-CD1 3.8Å; L450-A470 HydrophobicContact CD1-CB 4.21Å; L450-A470 HydrophobicContact CG-CB 4.47Å; L450-Q471 CarbonylContact C-O 3.55Å; L450-Q471 WeakPolarHBondContact CA-O 3.44Å; L450-V472 HydrophobicContact CD1-CG2 3.76Å
451	S	98.7	Very high	97.7	Very high	31 Å²	31	41.1 Å²	41.1	22%	0.217	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	160	178.9	72.6	0	0	0	0	112.1	F390 A470 Q471 D473	F390-S451 WeakPolarHBondContact O-CA 3.44Å; S451-A470 CarbonylContact O-C 3.6Å; S451-A470 WeakPolarHBondContact O-CA 3.31Å; S451-Q471 PolarHBondContact N-O 2.81Å; S451-Q471 PolarHBondContact O-N 2.82Å; S451-D473 VanDerWaalsContact CB-OD1 3.27Å; S451-D473 WeakPolarHBondContact CB-OD1 3.44Å; S451-D473 PolarHBondContact OG-OD1 3.32Å
452	G	98.6	Very high	97.5	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-164.6	-179.3	0	0	0	0	0	114.4	P389 F390 V469	P389-G452 WeakPolarHBondContact CA-O 3.37Å; F390-G452 PolarHBondContact N-O 2.95Å; F390-G452 PolarHBondContact O-N 2.94Å; G452-V469 CarbonylContact C-O 3.5Å; G452-V469 WeakPolarHBondContact CA-O 3.49Å
453	T	98.8	Very high	97.5	Very high	42 Å²	42	39.2 Å²	39.2	26%	0.258	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	133.9	-179.2	-55.8	0	0	0	0	109.8	E387 I388 F390 M455 V469	E387-T453 HydrophobicContact CG-CG2 3.5Å; I388-T453 WeakPolarHBondContact O-CA 3.41Å; F390-T453 VanDerWaalsContact CE1-C 3.45Å; T453-M455 HydrophobicContact CG2-CB 4.46Å; T453-V469 PolarHBondContact N-O 3.35Å; T453-V469 PolarHBondContact O-N 2.79Å
454	A	98.6	Very high	97.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.3	161	0	0	0	0	0	108	I388 F390 F405 I468	I388-A454 HydrophobicContact CB-CB 4.44Å; I388-A454 PolarHBondContact N-O 2.98Å; I388-A454 PolarHBondContact O-N 2.84Å; F390-A454 HydrophobicContact CE1-CB 4.36Å; F405-A454 HydrophobicContact CE1-CB 4.46Å; F405-A454 HydrophobicContact CZ-CB 4.35Å; A454-I468 HydrophobicContact CB-CG1 4.31Å
455	M	98.7	Very high	97.5	Very high	49 Å²	49	37.1 Å²	37.1	24%	0.241	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.4	-177.8	178.1	175.2	60.7	0	0	109.3	R385 I386 T453 V457 S467	R385-M455 VanDerWaalsContact CZ-SD 3.6Å; R385-M455 PolarHBondContact NE-SD 3.49Å; R385-M455 VanDerWaalsContact NE-SD 3.45Å; R385-M455 PolarHBondContact NH2-SD 2.57Å; I386-M455 CarbonylContact O-C 3.58Å; I386-M455 WeakPolarHBondContact O-CA 3.18Å; T453-M455 HydrophobicContact CG2-CB 4.46Å; M455-V457 HydrophobicContact CG-CG2 4.15Å; M455-V457 HydrophobicContact SD-CG2 4.45Å; M455-S467 PolarHBondContact N-O 3.19Å; M455-S467 PolarHBondContact O-N 2.88Å
456	L	98.7	Very high	97.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.5	177.7	-66.1	74.7	0	0	0	108.1	M278 F280 R385 I386 I388 Y464 I466	M278-L456 HydrophobicContact CE-CD2 4.47Å; F280-L456 HydrophobicContact CD2-CD2 3.66Å; F280-L456 HydrophobicContact CE2-CD2 4.32Å; R385-L456 WeakPolarHBondContact CA-O 3.16Å; I386-L456 HydrophobicContact CB-CB 4.33Å; I386-L456 PolarHBondContact N-O 2.83Å; I386-L456 PolarHBondContact O-N 3.42Å; I388-L456 HydrophobicContact CD1-CD1 4.3Å; L456-Y464 HydrophobicContact CB-CD1 3.64Å; L456-Y464 HydrophobicContact CB-CE1 4.33Å; L456-Y464 HydrophobicContact CB-CG 4.15Å; L456-Y464 HydrophobicContact CD2-CG 4.48Å; L456-I466 HydrophobicContact CD1-CG2 4.49Å; L456-I466 HydrophobicContact CG-CG1 4.29Å; L456-I466 HydrophobicContact CG-CG2 4.33Å
457	V	98.6	Very high	97.6	Very high	59 Å²	59	30.6 Å²	30.6	36%	0.358	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.8	177.5	-176.4	0	0	0	0	109.5	R385 M455 N459 Y464 D465	R385-V457 HydrophobicContact CG-CG2 4.48Å; M455-V457 HydrophobicContact CG-CG2 4.15Å; M455-V457 HydrophobicContact SD-CG2 4.45Å; V457-N459 PolarHBondContact O-N 3.08Å; V457-Y464 VanDerWaalsContact C-CD1 3.44Å; V457-Y464 CarbonylContact O-C 3.49Å; V457-Y464 WeakPolarHBondContact O-CA 3.4Å; V457-D465 PolarHBondContact N-O 3.49Å; V457-D465 PolarHBondContact O-N 3.37Å
458	A	97.7	Very high	97.6	Very high	24 Å²	24	27.8 Å²	27.8	20%	0.198	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.9	-177.3	0	0	0	0	0	111.6	Y384 Y464	Y384-A458 WeakPolarHBondContact O-CB 3.39Å; Y384-A458 PolarHBondContact O-N 3Å; A458-Y464 HydrophobicContact CB-CD1 4.18Å; A458-Y464 HydrophobicContact CB-CE1 3.7Å
459	N	95.3	Very high	97.6	Very high	16 Å²	16	28.8 Å²	28.8	9%	0.086	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	161.9	177.6	76.4	38.2	0	0	0	111.8	R283 V457 R461 S463 D465	R283-N459 PolarHBondContact NH1-O 2.92Å; V457-N459 PolarHBondContact O-N 3.08Å; N459-R461 PolarHBondContact ND2-NH2 2.94Å; N459-R461 VanDerWaalsContact ND2-NH2 3.14Å; N459-R461 PolarHBondContact O-N 3.37Å; N459-R461 WeakPolarHBondContact OD1-CB 3.17Å; N459-R461 PolarHBondContact OD1-N 2.83Å; N459-S463 PolarHBondContact N-O 2.8Å; N459-S463 PolarHBondContact OD1-N 3.41Å; N459-S463 PolarHBondContact OD1-O 3.16Å; N459-D465 PolarHBondContact ND2-OD1 2.93Å
460	K	93.3	Very high	97.6	Very high	119 Å²	119	28.3 Å²	28.3	52%	0.517	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.7	-175.3	-63.6	-165.6	175.2	-160.4	0	114.8	E158 Q462	E158-K460 HydrophobicContact CG-CB 3.9Å; E158-K460 PolarHBondContact N-O 3.48Å; E158-K460 WeakPolarHBondContact OE1-CB 3.34Å; K460-Q462 VanDerWaalsContact C-N 3.26Å; K460-Q462 PolarHBondContact O-N 2.86Å
461	R	93.5	Very high	97.6	Very high	81 Å²	81	31.6 Å²	31.6	31%	0.306	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	23.5	179.2	-57.4	174.2	-66.4	143	8.2	112.1	S161 N459 S463 D465 D484 K486	S161-R461 PolarHBondContact OG-O 2.88Å; N459-R461 PolarHBondContact ND2-NH2 2.94Å; N459-R461 VanDerWaalsContact ND2-NH2 3.14Å; N459-R461 PolarHBondContact O-N 3.37Å; N459-R461 WeakPolarHBondContact OD1-CB 3.17Å; N459-R461 PolarHBondContact OD1-N 2.83Å; R461-S463 VanDerWaalsContact C-N 3.34Å; R461-S463 PolarHBondContact O-N 2.97Å; R461-D465 IonicContact NH2-OD1 3.18Å; R461-D484 IonicContact CZ-OD1 3.37Å; R461-D484 IonicContact CZ-OD2 3.66Å; R461-D484 VanDerWaalsContact CZ-OD2 3.28Å; R461-D484 IonicContact NH1-OD1 3.68Å; R461-D484 IonicContact NH1-OD2 3.71Å; R461-D484 PolarHBondContact NH1-OD2 3.03Å; R461-D484 IonicContact NH2-OD1 3.49Å; R461-D484 PolarHBondContact NH2-OD1 2.81Å; R461-D484 IonicContact NH2-OD2 2.84Å; R461-D484 PolarHBondContact NH2-OD2 3.15Å; R461-K486 HydrophobicContact CB-CD 4.37Å; R461-K486 HydrophobicContact CB-CG 4.19Å; R461-K486 VanDerWaalsContact O-CD 3.32Å; R461-K486 WeakPolarHBondContact O-CD 3.17Å; R461-K486 VanDerWaalsContact O-CE 3.22Å; R461-K486 WeakPolarHBondContact O-CE 3.46Å; R461-K486 PolarHBondContact O-NZ 3.23Å
462	Q	94.1	Very high	97.6	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.019	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	43	-176.2	-59.9	166.2	-92.2	0	0	112.6	T157 S161 E282 K460	T157-Q462 HydrophobicContact CG2-CG 3.5Å; S161-Q462 PolarHBondContact O-OE1 2.92Å; S161-Q462 VanDerWaalsContact O-OE1 3.11Å; S161-Q462 PolarHBondContact OG-OE1 2.83Å; E282-Q462 CarbonylContact C-O 3.49Å; E282-Q462 WeakPolarHBondContact CA-O 3.43Å; E282-Q462 PolarHBondContact N-O 2.99Å; E282-Q462 VanDerWaalsContact N-O 3.09Å; K460-Q462 VanDerWaalsContact C-N 3.26Å; K460-Q462 PolarHBondContact O-N 2.86Å
463	S	97.4	Very high	97.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	-168.5	178.9	-161.5	0	0	0	0	110.9	N281 N459 R461 L485 K486	N281-S463 WeakPolarHBondContact OD1-CB 3.11Å; N281-S463 PolarHBondContact OD1-OG 2.82Å; N459-S463 PolarHBondContact N-O 2.8Å; N459-S463 PolarHBondContact OD1-N 3.41Å; N459-S463 PolarHBondContact OD1-O 3.16Å; R461-S463 VanDerWaalsContact C-N 3.34Å; R461-S463 PolarHBondContact O-N 2.97Å; S463-L485 WeakPolarHBondContact OG-CB 3.41Å; S463-L485 PolarHBondContact OG-O 3.33Å; S463-K486 PolarHBondContact OG-N 2.87Å; S463-K486 VanDerWaalsContact OG-N 3.09Å
464	Y	98.4	Very high	97.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.4	-175.7	-73.4	-94.6	0	0	0	112	F280 R283 L383 I386 L456 V457 A458 L485	F280-Y464 HydrophobicContact CB-CD2 4.02Å; F280-Y464 HydrophobicContact CB-CE2 3.63Å; F280-Y464 WeakPolarHBondContact O-CE2 3.35Å; R283-Y464 HydrophobicContact CG-CD2 4.3Å; R283-Y464 HydrophobicContact CG-CE2 3.61Å; L383-Y464 VanDerWaalsContact O-CE1 3.22Å; L383-Y464 WeakPolarHBondContact O-CE1 3.27Å; L383-Y464 PolarHBondContact O-OH 2.92Å; I386-Y464 HydrophobicContact CD1-CE1 4.39Å; L456-Y464 HydrophobicContact CB-CD1 3.64Å; L456-Y464 HydrophobicContact CB-CE1 4.33Å; L456-Y464 HydrophobicContact CB-CG 4.15Å; L456-Y464 HydrophobicContact CD2-CG 4.48Å; V457-Y464 VanDerWaalsContact C-CD1 3.44Å; V457-Y464 CarbonylContact O-C 3.49Å; V457-Y464 WeakPolarHBondContact O-CA 3.4Å; A458-Y464 HydrophobicContact CB-CD1 4.18Å; A458-Y464 HydrophobicContact CB-CE1 3.7Å; Y464-L485 VanDerWaalsContact O-CB 3.3Å; Y464-L485 WeakPolarHBondContact O-CB 3.47Å; Y464-L485 PolarHBondContact O-N 2.83Å; Y464-L485 VanDerWaalsContact O-N 3.08Å
465	D	98.3	Very high	97.5	Very high	62 Å²	62	38.4 Å²	38.4	33%	0.332	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.1	163.1	-54.9	-23.7	0	0	0	107	V457 N459 R461	V457-D465 PolarHBondContact N-O 3.49Å; V457-D465 PolarHBondContact O-N 3.37Å; N459-D465 PolarHBondContact ND2-OD1 2.93Å; R461-D465 IonicContact NH2-OD1 3.18Å
466	I	98.5	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.9	-173.2	-47.3	-179.8	0	0	0	109.6	M278 L456 I468 L482 L483 L485	M278-I466 HydrophobicContact CE-CD1 3.84Å; M278-I466 HydrophobicContact SD-CD1 3.59Å; M278-I466 VanDerWaalsContact SD-CD1 3.59Å; L456-I466 HydrophobicContact CD1-CG2 4.49Å; L456-I466 HydrophobicContact CG-CG1 4.29Å; L456-I466 HydrophobicContact CG-CG2 4.33Å; I466-I468 HydrophobicContact CG2-CD1 4.32Å; I466-I468 HydrophobicContact CG2-CG1 3.97Å; I466-L482 CarbonylContact O-C 3.53Å; I466-L482 VanDerWaalsContact O-CA 3.31Å; I466-L482 WeakPolarHBondContact O-CA 3.45Å; I466-L483 HydrophobicContact CB-CB 4.32Å; I466-L483 PolarHBondContact N-O 3.04Å; I466-L483 PolarHBondContact O-N 3.43Å; I466-L485 HydrophobicContact CD1-CB 4.03Å; I466-L485 HydrophobicContact CD1-CD1 4.27Å; I466-L485 HydrophobicContact CD1-CD2 4.27Å; I466-L485 HydrophobicContact CD1-CG 4.42Å; I466-L485 HydrophobicContact CG1-CB 4.33Å
467	S	98.6	Very high	97.4	Very high	36 Å²	36	40.6 Å²	40.6	25%	0.252	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.4	170.3	-176.1	0	0	0	0	110	M455	M455-S467 PolarHBondContact N-O 3.19Å; M455-S467 PolarHBondContact O-N 2.88Å
468	I	98.7	Very high	97.4	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.4	174.4	-60.4	175	0	0	0	108.1	L403 F405 C436 L438 A454 I466 S480 N481 L483	L403-I468 HydrophobicContact CD1-CD1 4.36Å; L403-I468 HydrophobicContact CD1-CG2 3.7Å; L403-I468 HydrophobicContact CG-CG2 4.37Å; F405-I468 HydrophobicContact CE2-CD1 4.02Å; F405-I468 HydrophobicContact CZ-CD1 4.02Å; C436-I468 HydrophobicContact CB-CD1 3.45Å; C436-I468 VanDerWaalsContact CB-CD1 3.45Å; L438-I468 HydrophobicContact CD2-CG2 4.21Å; A454-I468 HydrophobicContact CB-CG1 4.31Å; I466-I468 HydrophobicContact CG2-CD1 4.32Å; I466-I468 HydrophobicContact CG2-CG1 3.97Å; I468-S480 CarbonylContact O-C 3Å; I468-S480 WeakPolarHBondContact O-CA 3.27Å; I468-S480 WeakPolarHBondContact O-CB 3.31Å; I468-N481 PolarHBondContact N-O 3.32Å; I468-N481 PolarHBondContact O-N 3.01Å; I468-L483 HydrophobicContact CD1-CD1 4.06Å; I468-L483 HydrophobicContact CG1-CD1 4.41Å
469	V	98.7	Very high	97.4	Very high	45 Å²	45	43.2 Å²	43.2	27%	0.273	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125	171.2	-178.6	0	0	0	0	108	F390 G452 T453 K478	F390-V469 WeakPolarHBondContact CZ-O 3.16Å; G452-V469 CarbonylContact C-O 3.5Å; G452-V469 WeakPolarHBondContact CA-O 3.49Å; T453-V469 PolarHBondContact N-O 3.35Å; T453-V469 PolarHBondContact O-N 2.79Å; V469-K478 HydrophobicContact CG1-CD 4.5Å
470	A	98.6	Very high	97.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.7	-179.1	0	0	0	0	0	111	F390 L438 L442 L450 S451 K478 S479	F390-A470 HydrophobicContact CE2-CB 4.22Å; F390-A470 HydrophobicContact CZ-CB 3.99Å; L438-A470 HydrophobicContact CD2-CB 4.39Å; L442-A470 HydrophobicContact CD1-CB 4.04Å; L450-A470 HydrophobicContact CD1-CB 4.21Å; L450-A470 HydrophobicContact CG-CB 4.47Å; S451-A470 CarbonylContact O-C 3.6Å; S451-A470 WeakPolarHBondContact O-CA 3.31Å; A470-K478 WeakPolarHBondContact O-CA 3.24Å; A470-S479 PolarHBondContact N-O 2.97Å; A470-S479 PolarHBondContact O-N 3.42Å; A470-S479 VanDerWaalsContact O-O 3.06Å
471	Q	98.6	Very high	97.7	Very high	69 Å²	69	39.9 Å²	39.9	32%	0.322	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.5	178.8	179.7	175.8	-37.3	0	0	110.6	L450 S451 S477 K478	L450-Q471 CarbonylContact C-O 3.55Å; L450-Q471 WeakPolarHBondContact CA-O 3.44Å; S451-Q471 PolarHBondContact N-O 2.81Å; S451-Q471 PolarHBondContact O-N 2.82Å; Q471-S477 CarbonylContact C-O 3.6Å; Q471-S477 VanDerWaalsContact CA-O 3.31Å; Q471-S477 WeakPolarHBondContact CA-O 3Å; Q471-K478 HydrophobicContact CB-CB 4.34Å; Q471-K478 HydrophobicContact CB-CG 4.36Å; Q471-K478 HydrophobicContact CG-CB 4.33Å
472	V	98.7	Very high	97.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114	168.6	179.8	0	0	0	0	108.1	L442 A444 D448 L450 Q474 T475 G476 S477	L442-V472 HydrophobicContact CB-CG2 4.13Å; A444-V472 HydrophobicContact CB-CG1 4.38Å; A444-V472 HydrophobicContact CB-CG2 3.99Å; D448-V472 HydrophobicContact CB-CG1 4.24Å; L450-V472 HydrophobicContact CD1-CG2 3.76Å; V472-Q474 VanDerWaalsContact C-N 3.25Å; V472-Q474 PolarHBondContact O-N 3.45Å; V472-T475 HydrophobicContact CG1-CG2 4.25Å; V472-T475 PolarHBondContact O-N 2.78Å; V472-G476 PolarHBondContact O-N 2.92Å; V472-S477 PolarHBondContact N-O 2.93Å
473	D	98.1	Very high	98.1	Very high	55 Å²	55	39.5 Å²	39.5	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.9	-171.3	-73	-0.8	0	0	0	111.7	K391 T449 S451	K391-D473 VanDerWaalsContact CE-OD2 3.31Å; K391-D473 WeakPolarHBondContact CE-OD2 3.34Å; K391-D473 IonicContact NZ-OD2 2.7Å; K391-D473 PolarHBondContact NZ-OD2 2.76Å; T449-D473 WeakPolarHBondContact CG2-OD2 3.46Å; T449-D473 PolarHBondContact O-N 3.44Å; S451-D473 VanDerWaalsContact CB-OD1 3.27Å; S451-D473 WeakPolarHBondContact CB-OD1 3.44Å; S451-D473 PolarHBondContact OG-OD1 3.32Å
474	Q	98.1	Very high	98.1	Very high	103 Å²	103	41.1 Å²	41.1	48%	0.481	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-28.3	-174.6	-71.2	72.9	16.2	0	0	114.1	D448 T449 V472	D448-Q474 WeakPolarHBondContact OD1-CG 3.3Å; T449-Q474 PolarHBondContact O-OE1 3.41Å; V472-Q474 VanDerWaalsContact C-N 3.25Å; V472-Q474 PolarHBondContact O-N 3.45Å
475	T	97.1	Very high	98	Very high	78 Å²	78	41 Å²	41	48%	0.479	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-16.5	-176.1	66.1	0	0	0	0	113.3	V472 S477	V472-T475 HydrophobicContact CG1-CG2 4.25Å; V472-T475 PolarHBondContact O-N 2.78Å; T475-S477 PolarHBondContact O-N 2.86Å; T475-S477 VanDerWaalsContact OG1-CB 3.25Å; T475-S477 WeakPolarHBondContact OG1-CB 3.34Å; T475-S477 PolarHBondContact OG1-N 2.88Å; T475-S477 VanDerWaalsContact OG1-N 3.11Å; T475-S477 PolarHBondContact OG1-OG 3.49Å
476	G	96.9	Very high	97.8	Very high	41 Å²	41	41.8 Å²	41.8	42%	0.423	23%	0.234	S	C	.	.			trans	70.3	2.7	-169.1	0	0	0	0	0	114.1	V472 K478	V472-G476 PolarHBondContact O-N 2.92Å; G476-K478 PolarHBondContact O-N 2.93Å
477	S	97.8	Very high	97.6	Very high	55 Å²	55	45.6 Å²	45.6	39%	0.385	25%	0.254	S	S	.	.			trans	-64.9	119.6	178.6	-55.5	0	0	0	0	109.7	Q471 V472 T475	Q471-S477 CarbonylContact C-O 3.6Å; Q471-S477 VanDerWaalsContact CA-O 3.31Å; Q471-S477 WeakPolarHBondContact CA-O 3Å; V472-S477 PolarHBondContact N-O 2.93Å; T475-S477 PolarHBondContact O-N 2.86Å; T475-S477 VanDerWaalsContact OG1-CB 3.25Å; T475-S477 WeakPolarHBondContact OG1-CB 3.34Å; T475-S477 PolarHBondContact OG1-N 2.88Å; T475-S477 VanDerWaalsContact OG1-N 3.11Å; T475-S477 PolarHBondContact OG1-OG 3.49Å
478	K	98.3	Very high	97.4	Very high	131 Å²	131	44.9 Å²	44.9	57%	0.57	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.8	-173.4	-175.6	177	-178.7	177	0	110.8	V469 A470 Q471 G476	V469-K478 HydrophobicContact CG1-CD 4.5Å; A470-K478 WeakPolarHBondContact O-CA 3.24Å; Q471-K478 HydrophobicContact CB-CB 4.34Å; Q471-K478 HydrophobicContact CB-CG 4.36Å; Q471-K478 HydrophobicContact CG-CB 4.33Å; G476-K478 PolarHBondContact O-N 2.93Å
479	S	98.4	Very high	97.3	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.2	173.5	-168.3	0	0	0	0	109.9	S440 A470	S440-S479 PolarHBondContact N-OG 3.47Å; S440-S479 VanDerWaalsContact O-CB 3.23Å; S440-S479 WeakPolarHBondContact O-CB 3.46Å; S440-S479 PolarHBondContact O-OG 3.31Å; A470-S479 PolarHBondContact N-O 2.97Å; A470-S479 PolarHBondContact O-N 3.42Å; A470-S479 VanDerWaalsContact O-O 3.06Å
480	S	97.6	Very high	97.1	Very high	56 Å²	56	50.8 Å²	50.8	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.6	178	52.5	0	0	0	0	110.8	I468	I468-S480 CarbonylContact O-C 3Å; I468-S480 WeakPolarHBondContact O-CA 3.27Å; I468-S480 WeakPolarHBondContact O-CB 3.31Å
481	N	97.9	Very high	96.9	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	155.3	167.7	-164.2	11	0	0	0	110.4	F351 L437 Q439 I468 L483	F351-N481 PolarHBondContact O-ND2 3.17Å; L437-N481 WeakPolarHBondContact O-CB 3.23Å; L437-N481 PolarHBondContact O-ND2 2.89Å; Q439-N481 HydrophobicContact CG-CB 4.28Å; I468-N481 PolarHBondContact N-O 3.32Å; I468-N481 PolarHBondContact O-N 3.01Å; N481-L483 HydrophobicContact CB-CD1 4.07Å
482	L	98.1	Very high	96.5	Very high	75 Å²	75	54 Å²	54	39%	0.393	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.2	171.7	176	63.7	0	0	0	107.2	R352 I466	R352-L482 WeakPolarHBondContact CG-O 3.36Å; I466-L482 CarbonylContact O-C 3.53Å; I466-L482 VanDerWaalsContact O-CA 3.31Å; I466-L482 WeakPolarHBondContact O-CA 3.45Å
483	L	98	Very high	95.9	Very high	2 Å²	2	59 Å²	59	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	152.6	-176.7	-54.1	95.3	0	0	0	111.4	R352 P354 C436 I466 I468 N481	R352-L483 CarbonylContact O-C 3.55Å; R352-L483 VanDerWaalsContact O-CA 3.24Å; R352-L483 WeakPolarHBondContact O-CA 3.32Å; R352-L483 WeakPolarHBondContact O-CB 3.31Å; P354-L483 HydrophobicContact CG-CB 4.05Å; P354-L483 HydrophobicContact CG-CD2 4.2Å; C436-L483 HydrophobicContact CB-CD1 4.03Å; C436-L483 HydrophobicContact CB-CD2 3.66Å; I466-L483 HydrophobicContact CB-CB 4.32Å; I466-L483 PolarHBondContact N-O 3.04Å; I466-L483 PolarHBondContact O-N 3.43Å; I468-L483 HydrophobicContact CD1-CD1 4.06Å; I468-L483 HydrophobicContact CG1-CD1 4.41Å; N481-L483 HydrophobicContact CB-CD1 4.07Å
484	D	96.4	Very high	95.2	Very high	34 Å²	34	58.6 Å²	58.6	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	104.9	176.2	-177.9	6.8	0	0	0	110.2	R352 P354 R461 K486 N487	R352-D484 PolarHBondContact O-N 3Å; P354-D484 WeakPolarHBondContact CD-O 3.2Å; R461-D484 IonicContact CZ-OD1 3.37Å; R461-D484 IonicContact CZ-OD2 3.66Å; R461-D484 VanDerWaalsContact CZ-OD2 3.28Å; R461-D484 IonicContact NH1-OD1 3.68Å; R461-D484 IonicContact NH1-OD2 3.71Å; R461-D484 PolarHBondContact NH1-OD2 3.03Å; R461-D484 IonicContact NH2-OD1 3.49Å; R461-D484 PolarHBondContact NH2-OD1 2.81Å; R461-D484 IonicContact NH2-OD2 2.84Å; R461-D484 PolarHBondContact NH2-OD2 3.15Å; D484-K486 PolarHBondContact O-N 3.16Å; D484-K486 VanDerWaalsContact O-N 3.13Å; D484-K486 WeakPolarHBondContact OD1-CB 3.37Å; D484-K486 PolarHBondContact OD1-N 3.02Å; D484-N487 PolarHBondContact O-N 3.4Å; D484-N487 VanDerWaalsContact O-N 3.08Å
485	L	96.5	Very high	94.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-10	-179.6	-169.4	60.7	0	0	0	113	M278 N281 P354 S463 Y464 I466 N487	M278-L485 HydrophobicContact CB-CD2 4.49Å; M278-L485 HydrophobicContact CG-CD1 4.44Å; M278-L485 HydrophobicContact SD-CD1 4.06Å; N281-L485 HydrophobicContact CB-CD2 3.8Å; N281-L485 HydrophobicContact CB-CG 4.07Å; P354-L485 HydrophobicContact CB-CD1 4.29Å; P354-L485 HydrophobicContact CG-CD1 4.07Å; S463-L485 WeakPolarHBondContact OG-CB 3.41Å; S463-L485 PolarHBondContact OG-O 3.33Å; Y464-L485 VanDerWaalsContact O-CB 3.3Å; Y464-L485 WeakPolarHBondContact O-CB 3.47Å; Y464-L485 PolarHBondContact O-N 2.83Å; Y464-L485 VanDerWaalsContact O-N 3.08Å; I466-L485 HydrophobicContact CD1-CB 4.03Å; I466-L485 HydrophobicContact CD1-CD1 4.27Å; I466-L485 HydrophobicContact CD1-CD2 4.27Å; I466-L485 HydrophobicContact CD1-CG 4.42Å; I466-L485 HydrophobicContact CG1-CB 4.33Å; L485-N487 VanDerWaalsContact C-N 3.32Å
486	K	94.4	Very high	93.7	Very high	77 Å²	77	60.7 Å²	60.7	34%	0.335	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.5	172.4	-169.8	56.9	172.4	-159.3	0	112.8	S161 R461 S463 D484 P488	S161-K486 PolarHBondContact OG-NZ 3.18Å; R461-K486 HydrophobicContact CB-CD 4.37Å; R461-K486 HydrophobicContact CB-CG 4.19Å; R461-K486 VanDerWaalsContact O-CD 3.32Å; R461-K486 WeakPolarHBondContact O-CD 3.17Å; R461-K486 VanDerWaalsContact O-CE 3.22Å; R461-K486 WeakPolarHBondContact O-CE 3.46Å; R461-K486 PolarHBondContact O-NZ 3.23Å; S463-K486 PolarHBondContact OG-N 2.87Å; S463-K486 VanDerWaalsContact OG-N 3.09Å; D484-K486 PolarHBondContact O-N 3.16Å; D484-K486 VanDerWaalsContact O-N 3.13Å; D484-K486 WeakPolarHBondContact OD1-CB 3.37Å; D484-K486 PolarHBondContact OD1-N 3.02Å; K486-P488 WeakPolarHBondContact O-CD 3.31Å
487	N	93.3	Very high	93.1	Very high	80 Å²	80	60.7 Å²	60.7	43%	0.428	33%	0.332	S	S	.	.	S	Bend	trans	-122.7	59.9	-175.9	-171.5	29.7	0	0	0	112.9	Q353 D484 L485	Q353-N487 PolarHBondContact NE2-ND2 2.97Å; Q353-N487 PolarHBondContact NE2-O 2.94Å; D484-N487 PolarHBondContact O-N 3.4Å; D484-N487 VanDerWaalsContact O-N 3.08Å; L485-N487 VanDerWaalsContact C-N 3.32Å
488	P	95.8	Very high	92.3	Very high	22 Å²	22	63.6 Å²	63.6	14%	0.143	34%	0.344	C	S	.	.			trans	-69.6	147.5	178.2	30.6	-34.8	0	0	0	112.1	P354 V356 K486 F490	P354-P488 CarbonylContact O-C 3.18Å; P354-P488 VanDerWaalsContact O-CA 3.24Å; P354-P488 WeakPolarHBondContact O-CA 3.33Å; V356-P488 HydrophobicContact CG2-CB 3.7Å; K486-P488 WeakPolarHBondContact O-CD 3.31Å; P488-F490 HydrophobicContact CG-CE2 3.86Å; P488-F490 HydrophobicContact CG-CZ 4.19Å
489	F	95.6	Very high	91.5	Very high	57 Å²	57	58.2 Å²	58.2	25%	0.25	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	109.5	170	179	-110.3	0	0	0	110.1	K325 Q353 P354 I355 V356 R491	K325-F489 VanDerWaalsContact NZ-CZ 3.31Å; Q353-F489 HydrophobicContact CB-CB 4.1Å; P354-F489 PolarHBondContact O-N 3.18Å; I355-F489 HydrophobicContact CD1-CB 4.02Å; I355-F489 HydrophobicContact CD1-CD1 4.01Å; I355-F489 HydrophobicContact CD1-CG 4.47Å; I355-F489 HydrophobicContact CG2-CD1 4.48Å; V356-F489 PolarHBondContact N-O 3.35Å; F489-R491 HydrophobicContact CD1-CB 3.92Å; F489-R491 HydrophobicContact CE1-CB 3.71Å; F489-R491 HydrophobicContact CE1-CG 3.92Å; F489-R491 PolarHBondContact O-N 3Å
490	F	94.8	Very high	90.6	Very high	113 Å²	113	59 Å²	59	50%	0.496	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	111.8	173.8	-70.7	-83.7	0	0	0	110.4	Y277 V356 P488	Y277-F490 HydrophobicContact CE1-CE1 4.25Å; Y277-F490 HydrophobicContact CE2-CE1 4.25Å; Y277-F490 AromaticContact CE2-CZ 3.82Å; Y277-F490 HydrophobicContact CE2-CZ 3.82Å; Y277-F490 AromaticContact CZ-CE1 3.68Å; Y277-F490 AromaticContact CZ-CZ 3.72Å; Y277-F490 VanDerWaalsContact OH-CE1 3.27Å; Y277-F490 WeakPolarHBondContact OH-CE1 3.23Å; Y277-F490 WeakPolarHBondContact OH-CZ 3.44Å; V356-F490 HydrophobicContact CB-CD1 3.91Å; V356-F490 HydrophobicContact CB-CE1 4.04Å; V356-F490 HydrophobicContact CG1-CD1 3.88Å; V356-F490 HydrophobicContact CG1-CE1 3.79Å; V356-F490 HydrophobicContact CG2-CE1 4.38Å; P488-F490 HydrophobicContact CG-CE2 3.86Å; P488-F490 HydrophobicContact CG-CZ 4.19Å
491	R	94.3	Very high	89.5	Confident	57 Å²	57	62.5 Å²	62.5	22%	0.215	35%	0.349	C	S	.	.			trans	-110.1	-10.6	-174.5	-173.9	172.9	178.8	-77.8	-3.9	113.7	E321 I355 V356 D357 F489 T493	E321-R491 IonicContact OE1-NE 3.42Å; E321-R491 IonicContact OE2-CZ 2.65Å; E321-R491 IonicContact OE2-NE 1.9Å; E321-R491 PolarHBondContact OE2-NE 3.32Å; E321-R491 IonicContact OE2-NH2 2.92Å; E321-R491 PolarHBondContact OE2-NH2 3.4Å; I355-R491 HydrophobicContact CG2-CB 3.81Å; I355-R491 HydrophobicContact CG2-CG 4.45Å; V356-R491 PolarHBondContact O-N 2.9Å; D357-R491 HydrophobicContact CB-CB 4Å; D357-R491 WeakPolarHBondContact OD2-CD 3.27Å; D357-R491 IonicContact OD2-CZ 3.57Å; D357-R491 IonicContact OD2-NH1 2.66Å; D357-R491 PolarHBondContact OD2-NH1 3.42Å; F489-R491 HydrophobicContact CD1-CB 3.92Å; F489-R491 HydrophobicContact CE1-CB 3.71Å; F489-R491 HydrophobicContact CE1-CG 3.92Å; F489-R491 PolarHBondContact O-N 3Å; R491-T493 PolarHBondContact O-N 2.84Å
492	Y	90.3	Very high	88	Confident	80 Å²	80	65.9 Å²	65.9	31%	0.314	39%	0.385	S	S	.	.			trans	-63.5	121.9	-179	-177.3	-104.6	0	0	0	113	T358 L428 Y432	T358-Y492 HydrophobicContact CG2-CD2 4.07Å; T358-Y492 HydrophobicContact CG2-CE2 3.94Å; L428-Y492 HydrophobicContact CD2-CE2 3.7Å; Y432-Y492 HydrophobicContact CD1-CD1 4.45Å; Y432-Y492 AromaticContact CD1-CD2 3.99Å; Y432-Y492 HydrophobicContact CD1-CD2 3.99Å; Y432-Y492 HydrophobicContact CD1-CE2 4.49Å; Y432-Y492 AromaticContact CD1-CG 3.94Å; Y432-Y492 HydrophobicContact CD1-CG 3.94Å; Y432-Y492 AromaticContact CE1-CD1 3.4Å; Y432-Y492 HydrophobicContact CE1-CD1 3.4Å; Y432-Y492 AromaticContact CE1-CD2 3.63Å; Y432-Y492 HydrophobicContact CE1-CD2 3.63Å; Y432-Y492 AromaticContact CE1-CE1 3.76Å; Y432-Y492 HydrophobicContact CE1-CE1 3.76Å; Y432-Y492 AromaticContact CE1-CE2 3.99Å; Y432-Y492 HydrophobicContact CE1-CE2 3.99Å; Y432-Y492 AromaticContact CE1-CG 3.29Å; Y432-Y492 HydrophobicContact CE1-CG 3.29Å; Y432-Y492 AromaticContact CZ-CD1 3.74Å; Y432-Y492 AromaticContact CZ-CG 3.98Å; Y432-Y492 WeakPolarHBondContact OH-CD1 3.33Å
493	T	86.2	Confident	86.4	Confident	107 Å²	107	63.5 Å²	63.5	66%	0.656	38%	0.375	S	S	*	.			trans	-110.7	-5.7	179.9	53.7	0	0	0	0	113.7	R491 T495	R491-T493 PolarHBondContact O-N 2.84Å; T493-T495 VanDerWaalsContact C-N 3.29Å; T493-T495 PolarHBondContact OG1-N 3.12Å; T493-T495 PolarHBondContact OG1-OG1 2.81Å
494	G	84.4	Confident	84.8	Confident	45 Å²	45	68.3 Å²	68.3	46%	0.464	40%	0.397	S	S	.	.	S	Bend	trans	79.7	-1.3	-169.5	0	0	0	0	0	115.3
495	T	81.4	Confident	83.3	Confident	102 Å²	102	77.2 Å²	77.2	63%	0.626	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-75.6	137.1	172.5	57.6	0	0	0	0	110.8	T493	T493-T495 VanDerWaalsContact C-N 3.29Å; T493-T495 PolarHBondContact OG1-N 3.12Å; T493-T495 PolarHBondContact OG1-OG1 2.81Å
496	T	80.7	Confident	81.5	Confident	123 Å²	123	80.2 Å²	80.2	76%	0.755	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-52.9	128.6	173.1	-49.2	0	0	0	0	110.7	N498	T496-N498 PolarHBondContact O-N 2.97Å
497	P	84.3	Confident	80	Confident	41 Å²	41	78.7 Å²	78.7	27%	0.266	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-59	137.6	175.8	-26.5	35.7	0	0	0	112.5	T358 D360	T358-P497 HydrophobicContact CG2-CG 4.01Å; D360-P497 HydrophobicContact CB-CB 4.25Å
498	N	81.1	Confident	78.4	Confident	116 Å²	116	80.4 Å²	80.4	62%	0.62	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-80.4	141.8	172.3	-69.1	-43.7	0	0	0	110.2	T496	T496-N498 PolarHBondContact O-N 2.97Å
499	P	82.2	Confident	77	Confident	18 Å²	18	82.9 Å²	82.9	12%	0.117	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-75.7	169.3	170.4	35	-37.2	0	0	0	111.7	D360	D360-P499 HydrophobicContact CB-CB 4.47Å
500	P	79.8	Confident	75.7	Confident	24 Å²	24	84.9 Å²	84.9	16%	0.156	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-54.2	143	175.3	-22.7	30.1	0	0	0	112.4	R362 I363 G502 S503	R362-P500 HydrophobicContact CB-CG 4.05Å; R362-P500 VanDerWaalsContact O-CG 3.27Å; R362-P500 WeakPolarHBondContact O-CG 3.33Å; I363-P500 HydrophobicContact CG2-CG 4.05Å; P500-G502 PolarHBondContact O-N 3.14Å; P500-S503 WeakPolarHBondContact O-CB 3.12Å; P500-S503 PolarHBondContact O-N 3.31Å; P500-S503 PolarHBondContact O-OG 3.36Å
501	P	73.3	Confident	74.2	Confident	131 Å²	131	83.1 Å²	83.1	85%	0.851	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	134.6	174.4	-28.5	35.5	0	0	0	112.4
502	G	67.1	Low	72.7	Confident	79 Å²	79	87.7 Å²	87.7	81%	0.814	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-5.3	-174.4	0	0	0	0	0	115.4	P500 H504	P500-G502 PolarHBondContact O-N 3.14Å; G502-H504 VanDerWaalsContact C-N 3.25Å; G502-H504 PolarHBondContact O-N 2.78Å
503	S	64.7	Low	71.4	Confident	26 Å²	26	93.5 Å²	93.5	18%	0.182	53%	0.534	C	S	.	.			trans	-84.5	12.9	177.3	-51.1	0	0	0	0	114.6	R362 P500	R362-S503 PolarHBondContact NH1-O 2.84Å; P500-S503 WeakPolarHBondContact O-CB 3.12Å; P500-S503 PolarHBondContact O-N 3.31Å; P500-S503 PolarHBondContact O-OG 3.36Å
504	H	64	Low	70.1	Confident	103 Å²	103	93.8 Å²	93.8	48%	0.477	53%	0.531	S	S	.	.			trans	-92	114.3	179.9	-64.8	-79.4	0	0	0	110.4	G502	G502-H504 VanDerWaalsContact C-N 3.25Å; G502-H504 PolarHBondContact O-N 2.78Å
505	Y	64.7	Low	68.9	Low	220 Å²	220	95.3 Å²	95.3	86%	0.863	53%	0.532	S	S	*	.			trans	-88.3	-13.7	171.6	-58.9	-75.1	0	0	0	113
506	T	58.5	Low	67.2	Low	64 Å²	64	92.1 Å²	92.1	39%	0.393	52%	0.519	S	S	.	.	S	Bend	trans	-97.4	142.2	172.4	44.7	0	0	0	0	110.2
507	S	63.3	Low	65.4	Low	45 Å²	45	89.5 Å²	89.5	32%	0.315	51%	0.51	S	S	.	.			trans	-65.4	151.3	174.6	63.7	0	0	0	0	111.1	S509 E510 N511	S507-S509 PolarHBondContact O-N 2.95Å; S507-S509 VanDerWaalsContact O-N 3.13Å; S507-E510 WeakPolarHBondContact CB-OE2 3.23Å; S507-E510 PolarHBondContact N-OE2 2.74Å; S507-E510 PolarHBondContact O-N 3.01Å; S507-E510 VanDerWaalsContact O-N 3.12Å; S507-E510 WeakPolarHBondContact OG-CB 3.32Å; S507-E510 VanDerWaalsContact OG-CG 3.27Å; S507-E510 WeakPolarHBondContact OG-CG 3.22Å; S507-E510 PolarHBondContact OG-N 3.47Å; S507-E510 VanDerWaalsContact OG-N 3.08Å; S507-E510 PolarHBondContact OG-OE2 2.92Å; S507-N511 PolarHBondContact O-N 3Å
508	P	60	Low	63.3	Low	116 Å²	116	91 Å²	91	75%	0.753	53%	0.526	S	S	*	.	H	α-helix	trans	-54.3	-31.9	172.1	-26.8	35.5	0	0	0	112.7	M512	P508-M512 WeakPolarHBondContact O-CB 3.46Å; P508-M512 PolarHBondContact O-N 3.19Å
509	S	67.4	Low	61.4	Low	74 Å²	74	94 Å²	94	52%	0.517	53%	0.53	S	S	.	.	H	α-helix	trans	-65.1	-50.9	174.8	-53.4	0	0	0	0	112.5	S507 N511 M512 W513	S507-S509 PolarHBondContact O-N 2.95Å; S507-S509 VanDerWaalsContact O-N 3.13Å; S509-N511 VanDerWaalsContact C-N 3.28Å; S509-N511 PolarHBondContact O-N 2.84Å; S509-M512 WeakPolarHBondContact O-CB 3.41Å; S509-M512 PolarHBondContact O-N 3.5Å; S509-M512 VanDerWaalsContact O-N 3.15Å; S509-W513 PolarHBondContact O-N 3.02Å
510	E	67.4	Low	59.3	Low	98 Å²	98	98 Å²	98	46%	0.458	56%	0.558	S	S	.	*	H	α-helix	trans	-60.5	-38.6	175.6	-74.4	161.6	121.7	0	0	112	S507 M512 W513 N514	S507-E510 WeakPolarHBondContact CB-OE2 3.23Å; S507-E510 PolarHBondContact N-OE2 2.74Å; S507-E510 PolarHBondContact O-N 3.01Å; S507-E510 VanDerWaalsContact O-N 3.12Å; S507-E510 WeakPolarHBondContact OG-CB 3.32Å; S507-E510 VanDerWaalsContact OG-CG 3.27Å; S507-E510 WeakPolarHBondContact OG-CG 3.22Å; S507-E510 PolarHBondContact OG-N 3.47Å; S507-E510 VanDerWaalsContact OG-N 3.08Å; S507-E510 PolarHBondContact OG-OE2 2.92Å; E510-M512 VanDerWaalsContact C-N 3.3Å; E510-M512 PolarHBondContact O-N 2.88Å; E510-W513 PolarHBondContact O-N 2.83Å; E510-N514 WeakPolarHBondContact O-CB 3.14Å; E510-N514 PolarHBondContact O-N 3Å; E510-N514 PolarHBondContact O-ND2 2.71Å
511	N	63.4	Low	57.3	Low	77 Å²	77	105.6 Å²	105.6	41%	0.412	59%	0.594	S	S	.	*	H	α-helix	trans	-65.4	-36.5	177.5	-140	26.6	0	0	0	111.3	S507 S509 T515	S507-N511 PolarHBondContact O-N 3Å; S509-N511 VanDerWaalsContact C-N 3.28Å; S509-N511 PolarHBondContact O-N 2.84Å; N511-T515 WeakPolarHBondContact O-CB 3.42Å; N511-T515 PolarHBondContact O-N 2.93Å; N511-T515 VanDerWaalsContact O-N 3.07Å; N511-T515 PolarHBondContact O-OG1 3.07Å
512	M	63.5	Low	55.7	Low	153 Å²	153	103.8 Å²	103.8	75%	0.754	58%	0.584	S	S	*	*	H	α-helix	trans	-67.9	-40	172.9	-169.4	177.5	-172.4	0	0	112.6	P508 S509 E510 G516	P508-M512 WeakPolarHBondContact O-CB 3.46Å; P508-M512 PolarHBondContact O-N 3.19Å; S509-M512 WeakPolarHBondContact O-CB 3.41Å; S509-M512 PolarHBondContact O-N 3.5Å; S509-M512 VanDerWaalsContact O-N 3.15Å; E510-M512 VanDerWaalsContact C-N 3.3Å; E510-M512 PolarHBondContact O-N 2.88Å; M512-G516 WeakPolarHBondContact O-CA 3.31Å; M512-G516 PolarHBondContact O-N 3.45Å
513	W	61.6	Low	54.1	Low	201 Å²	201	107.2 Å²	107.2	76%	0.761	58%	0.579	S	S	*	*	H	α-helix	trans	-66.2	-45.4	175.3	-77	109.9	0	0	0	112.4	S509 E510 T515 G516 A517	S509-W513 PolarHBondContact O-N 3.02Å; E510-W513 PolarHBondContact O-N 2.83Å; W513-T515 VanDerWaalsContact C-N 3.35Å; W513-T515 PolarHBondContact O-N 2.64Å; W513-G516 PolarHBondContact O-N 3.42Å; W513-A517 WeakPolarHBondContact O-CB 3.43Å; W513-A517 PolarHBondContact O-N 2.91Å
514	N	59.2	Low	52.8	Low	113 Å²	113	110.3 Å²	110.3	60%	0.604	62%	0.615	S	S	*	*	H	α-helix	trans	-62.8	-40.7	177.9	-74.3	-23.6	0	0	0	112.1	E510	E510-N514 WeakPolarHBondContact O-CB 3.14Å; E510-N514 PolarHBondContact O-N 3Å; E510-N514 PolarHBondContact O-ND2 2.71Å
515	T	58.6	Low	51.3	Low	78 Å²	78	112.7 Å²	112.7	48%	0.479	63%	0.628	S	S	.	*	H	α-helix	trans	-75.2	-36.8	177.1	-43.6	0	0	0	0	111.5	N511 W513 A518 Y519	N511-T515 WeakPolarHBondContact O-CB 3.42Å; N511-T515 PolarHBondContact O-N 2.93Å; N511-T515 VanDerWaalsContact O-N 3.07Å; N511-T515 PolarHBondContact O-OG1 3.07Å; W513-T515 VanDerWaalsContact C-N 3.35Å; W513-T515 PolarHBondContact O-N 2.64Å; T515-A518 PolarHBondContact O-N 3.39Å; T515-Y519 HydrophobicContact CG2-CE2 4.34Å; T515-Y519 WeakPolarHBondContact O-CD2 3.25Å
516	G	45.6	Very low	49.8	Very low	35 Å²	35	107.3 Å²	107.3	36%	0.361	63%	0.629	S	S	.	*	H	α-helix	trans	-69.2	-33.2	-179.7	0	0	0	0	0	114.2	M512 W513 A518 Y519 S520	M512-G516 WeakPolarHBondContact O-CA 3.31Å; M512-G516 PolarHBondContact O-N 3.45Å; W513-G516 PolarHBondContact O-N 3.42Å; G516-A518 PolarHBondContact O-N 3.33Å; G516-Y519 PolarHBondContact O-N 3.04Å; G516-Y519 VanDerWaalsContact O-N 3.1Å; G516-S520 PolarHBondContact O-N 2.99Å
517	A	44	Very low	48.6	Very low	67 Å²	67	110.7 Å²	110.7	55%	0.554	65%	0.649	S	S	*	*	H	α-helix	trans	-59.2	-33.8	175.4	0	0	0	0	0	112.6	W513 Y519	W513-A517 WeakPolarHBondContact O-CB 3.43Å; W513-A517 PolarHBondContact O-N 2.91Å; A517-Y519 VanDerWaalsContact C-N 3.35Å; A517-Y519 PolarHBondContact O-N 3.4Å
518	A	39.8	Very low	47.2	Very low	74 Å²	74	114.3 Å²	114.3	61%	0.612	67%	0.674	S	S	*	*	H	α-helix	trans	-68.2	-30.6	176.9	0	0	0	0	0	113.2	T515 G516	T515-A518 PolarHBondContact O-N 3.39Å; G516-A518 PolarHBondContact O-N 3.33Å
519	Y	40.8	Very low	46.2	Very low	179 Å²	179	112.1 Å²	112.1	70%	0.702	67%	0.673	S	S	*	*	H	α-helix	trans	-77.2	-35.8	178.1	-76	-80.6	0	0	0	112.6	T515 G516 A517 M521 S522	T515-Y519 HydrophobicContact CG2-CE2 4.34Å; T515-Y519 WeakPolarHBondContact O-CD2 3.25Å; G516-Y519 PolarHBondContact O-N 3.04Å; G516-Y519 VanDerWaalsContact O-N 3.1Å; A517-Y519 VanDerWaalsContact C-N 3.35Å; A517-Y519 PolarHBondContact O-N 3.4Å; Y519-M521 VanDerWaalsContact C-N 3.28Å; Y519-M521 PolarHBondContact O-N 2.97Å; Y519-S522 PolarHBondContact O-OG 3.19Å
520	S	38.4	Very low	44.4	Very low	100 Å²	100	116.8 Å²	116.8	70%	0.699	69%	0.689	S	S	*	*	H	α-helix	trans	-71.6	-13.1	-174	-167.7	0	0	0	0	115.3	G516	G516-S520 PolarHBondContact O-N 2.99Å
521	M	38	Very low	42.6	Very low	185 Å²	185	117.4 Å²	117.4	91%	0.911	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-2.5	-177.8	-117.8	-175.5	-176.9	0	0	114.7	Y519	Y519-M521 VanDerWaalsContact C-N 3.28Å; Y519-M521 PolarHBondContact O-N 2.97Å
522	S	39.4	Very low	41	Very low	92 Å²	92	119.5 Å²	119.5	64%	0.643	72%	0.717	S	S	*	*	S	Bend	trans	-111.8	-12.5	-172.4	69.7	0	0	0	0	116	Y519	Y519-S522 PolarHBondContact O-OG 3.19Å
523	Q	34.9	Very low	39.5	Very low	152 Å²	152	116.8 Å²	116.8	71%	0.71	72%	0.719	S	S	*	*			trans	-138.9	120.3	170.9	-73.5	-171.3	-13.3	0	0	111	M525	Q523-M525 VanDerWaalsContact C-N 3.32Å; Q523-M525 PolarHBondContact O-N 3.23Å
524	G	37.2	Very low	38	Very low	90 Å²	90	117.8 Å²	117.8	93%	0.928	72%	0.724	S	S	*	*			trans	-72.2	84.5	171	0	0	0	0	0	111.2
525	M	32	Very low	36.6	Very low	153 Å²	153	118.1 Å²	118.1	75%	0.754	73%	0.726	S	S	*	*			trans	-127.1	97.6	172.1	-79	-71.4	-84.1	0	0	109.2	Q523 V527	Q523-M525 VanDerWaalsContact C-N 3.32Å; Q523-M525 PolarHBondContact O-N 3.23Å; M525-V527 PolarHBondContact O-N 3.13Å
526	A	33.1	Very low	35.3	Very low	108 Å²	108	122.8 Å²	122.8	89%	0.893	75%	0.747	S	S	*	*			trans	-71	109.8	170.9	0	0	0	0	0	109.4	S528	A526-S528 PolarHBondContact O-N 3.22Å
527	V	34.1	Very low	34.6	Very low	134 Å²	134	125.3 Å²	125.3	81%	0.812	76%	0.759	S	S	*	*			trans	-82	108.4	172.1	-178.9	0	0	0	0	108.5	M525 G529	M525-V527 PolarHBondContact O-N 3.13Å; V527-G529 PolarHBondContact O-N 3.15Å
528	S	33.1	Very low	34.2	Very low	121 Å²	121	128 Å²	128	85%	0.846	77%	0.769	S	S	*	*			trans	-70.2	119.6	172.2	58.6	0	0	0	0	110.2	A526	A526-S528 PolarHBondContact O-N 3.22Å
529	G	38.1	Very low	33.7	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	78%	0.781	S	S	*	*			trans	148.9	11.4	169.9	0	0	0	0	0	119	V527	V527-G529 PolarHBondContact O-N 3.15Å
530	M	30.8	Very low	33.3	Very low	171 Å²	171	131.1 Å²	131.1	84%	0.842	79%	0.791	S	S	*	*			trans	-102.6	132.5	170.8	-78.7	-66.5	-73.8	0	0	111.3
531	P	30	Very low	32.8	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	79%	0.787	S	S	*	*			trans	-68.5	138.2	174.3	28.8	-32.8	0	0	0	110.1	A533	P531-A533 PolarHBondContact O-N 3Å
532	T	30	Very low	32.3	Very low	120 Å²	120	126.7 Å²	126.7	74%	0.736	79%	0.787	S	S	*	*			trans	-61.8	114.9	179.3	48.9	0	0	0	0	110.8	Y534	T532-Y534 PolarHBondContact O-N 2.93Å
533	A	30.5	Very low	31.6	Very low	97 Å²	97	125.9 Å²	125.9	80%	0.802	79%	0.794	S	S	*	*			trans	-65.3	128.2	163.9	0	0	0	0	0	108.8	P531 D535	P531-A533 PolarHBondContact O-N 3Å; A533-D535 PolarHBondContact O-N 3.26Å
534	Y	30.6	Very low	31.7	Very low	221 Å²	221	124.8 Å²	124.8	87%	0.867	80%	0.8	S	S	*	*			trans	-70.9	118.2	178.4	-74.1	-96.1	0	0	0	109.8	T532 L536	T532-Y534 PolarHBondContact O-N 2.93Å; Y534-L536 PolarHBondContact O-N 3Å
535	D	29.4	Very low	31.3	Very low	121 Å²	121	125.1 Å²	125.1	65%	0.647	79%	0.794	S	S	*	*			trans	-75.4	114.7	170	-177.8	-0.6	0	0	0	109.6	A533 S537	A533-D535 PolarHBondContact O-N 3.26Å; D535-S537 VanDerWaalsContact OD1-CB 3.32Å; D535-S537 WeakPolarHBondContact OD1-CB 3.4Å; D535-S537 PolarHBondContact OD1-N 2.82Å; D535-S537 PolarHBondContact OD1-OG 2.65Å; D535-S537 PolarHBondContact OD2-OG 3.31Å
536	L	31.3	Very low	31	Very low	175 Å²	175	124.6 Å²	124.6	92%	0.916	80%	0.799	S	S	*	*			trans	-109.3	58.1	179.7	-164.7	75.7	0	0	0	110.7	Y534	Y534-L536 PolarHBondContact O-N 3Å
537	S	31.6	Very low	30.6	Very low	88 Å²	88	124.2 Å²	124.2	62%	0.615	79%	0.79	S	S	*	*			trans	-129.4	18.5	-178.2	69.1	0	0	0	0	115.8	D535	D535-S537 VanDerWaalsContact OD1-CB 3.32Å; D535-S537 WeakPolarHBondContact OD1-CB 3.4Å; D535-S537 PolarHBondContact OD1-N 2.82Å; D535-S537 PolarHBondContact OD1-OG 2.65Å; D535-S537 PolarHBondContact OD2-OG 3.31Å
538	T	34.6	Very low	30.2	Very low	123 Å²	123	126.9 Å²	126.9	76%	0.755	79%	0.793	S	S	*	*			trans	-126.5	45.2	-172.5	41.6	0	0	0	0	116.6
539	V	30.4	Very low	29.8	Very low	141 Å²	141	127.8 Å²	127.8	86%	0.855	79%	0.788	S	S	*	*			trans	-142.2	65.6	163.1	-164	0	0	0	0	113.9
540	I	32	Very low	29.2	Very low	178 Å²	178	132.3 Å²	132.3	91%	0.913	80%	0.796	S	S	*	*			trans	-155.7	141	145.2	-55.1	-170.2	0	0	0	106.3
541	G	27.2	Very low	28.9	Very low	60 Å²	60	131 Å²	131	62%	0.619	79%	0.792	S	S	*	*			cis	167.7	59.5	-6.3	0	0	0	0	0	115.2
542	S	27.8	Very low	28.8	Very low	132 Å²	132	133 Å²	133	92%	0.923	79%	0.794	S	S	*	*			trans	51.4	120.7	161.3	59.9	0	0	0	0	121.4
543	G	26.1	Very low	29	Very low	75 Å²	75	132 Å²	132	77%	0.773	79%	0.79	S	S	*	*			trans	172.5	137.1	161.8	0	0	0	0	0	113.5
544	P	35.6	Very low	28.7	Very low	130 Å²	130	134.9 Å²	134.9	84%	0.844	79%	0.791	S	S	*	*			trans	-101.5	147.1	-160.8	37.6	-35.8	0	0	0	117.7
545	A	28.4	Very low	28.4	Very low	96 Å²	96	130.5 Å²	130.5	79%	0.793	79%	0.787	S	S	*	*			trans	32.3	123.1	143.2	0	0	0	0	0	122.2
546	V	26.2	Very low	28.1	Very low	142 Å²	142	131.7 Å²	131.7	86%	0.861	79%	0.793	S	S	*	*			trans	-136.5	132.1	132.4	-178.8	0	0	0	0	108.7
547	S	25.1	Very low	27.9	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	79%	0.788	S	S	*	*			trans	-109.9	143.3	171.7	58.2	0	0	0	0	110.5
548	H	25.8	Very low	27.6	Very low	189 Å²	189	128.8 Å²	128.8	88%	0.875	79%	0.793	S	S	*	*			trans	-142.5	106.5	152.3	-89.5	-45.1	0	0	0	110.8
549	N	24.9	Very low	27.2	Very low	140 Å²	140	130.6 Å²	130.6	75%	0.749	80%	0.797	S	S	*	*			trans	-69.4	150.2	159	-88.3	-21.4	0	0	0	109.9
550	N	24.9	Very low	27	Very low	167 Å²	167	129.5 Å²	129.5	89%	0.893	79%	0.79	S	S	*	*			trans	-151	101.5	139	-97	-21.5	0	0	0	109.6
551	L	25.2	Very low	26.6	Very low	144 Å²	144	127.9 Å²	127.9	75%	0.754	78%	0.783	S	S	*	*			trans	-73.5	166.5	147.8	-72.4	151.3	0	0	0	106.7
552	I	28.2	Very low	26.5	Very low	153 Å²	153	133 Å²	133	79%	0.785	79%	0.791	S	S	*	*			cis	-158.9	-174.1	47.2	-24.3	-178.5	0	0	0	108.4
553	P	33.4	Very low	26.5	Very low	100 Å²	100	132.4 Å²	132.4	65%	0.649	78%	0.782	S	S	*	*				-128.6	-163.2	-95.8	44.1	-27.1	0	0	0	117
554	L	23.7	Very low	26.5	Very low	156 Å²	156	137.9 Å²	137.9	82%	0.817	79%	0.787	S	S	*	*			trans	77.1	142.2	165.4	-98.3	72.2	0	0	0	115.2
555	V	23.6	Very low	26	Very low	130 Å²	130	137 Å²	137	79%	0.788	78%	0.784	S	S	*	*			cis	-134.4	155	25.8	175.3	0	0	0	0	113.3
556	N	25.1	Very low	25.9	Very low	145 Å²	145	144.1 Å²	144.1	78%	0.775	79%	0.79	S	S	*	*			trans	-60.2	124	178.5	-174.6	42.4	0	0	0	116.4
557	T	27.2	Very low	26.1	Very low	132 Å²	132	146.2 Å²	146.2	81%	0.81	79%	0.793	S	S	*	*			trans	-136	122.8	149.8	46.4	0	0	0	0	109.5	I559	T557-I559 PolarHBondContact O-N 3.24Å
558	G	24.1	Very low	26.2	Very low	70 Å²	70	144.8 Å²	144.8	72%	0.722	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73	122.9	-171.9	0	0	0	0	0	113.2
559	I	25.6	Very low	26.4	Very low	162 Å²	162	140.9 Å²	140.9	83%	0.831	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-77.7	118.8	166.9	-64.9	172	0	0	0	108.1	T557 N561	T557-I559 PolarHBondContact O-N 3.24Å; I559-N561 PolarHBondContact O-N 2.57Å
560	V	26.1	Very low	26.8	Very low	118 Å²	118	141 Å²	141	72%	0.715	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.7	122.2	170.2	178.3	0	0	0	0	108.4	H562	V560-H562 PolarHBondContact O-N 2.84Å
561	N	24.2	Very low	26.9	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	78%	0.783	S	S	*	*			trans	-79.9	113.6	-173.2	-152.2	6.8	0	0	0	110.2	I559 T563	I559-N561 PolarHBondContact O-N 2.57Å; N561-T563 PolarHBondContact O-N 3.11Å
562	H	25.4	Very low	27	Very low	168 Å²	168	139.4 Å²	139.4	78%	0.778	79%	0.785	S	S	*	*			trans	-79.7	97.2	179.8	-77.6	-85.3	0	0	0	111.2	V560 H564	V560-H562 PolarHBondContact O-N 2.84Å; H562-H564 PolarHBondContact O-N 3.3Å
563	T	27.2	Very low	26.9	Very low	120 Å²	120	139 Å²	139	74%	0.736	79%	0.79	S	S	*	*			trans	-72.1	121.9	167.3	48.9	0	0	0	0	110.3	N561 S565	N561-T563 PolarHBondContact O-N 3.11Å; T563-S565 PolarHBondContact O-N 2.94Å
564	H	25.8	Very low	26.5	Very low	190 Å²	190	137.4 Å²	137.4	88%	0.88	79%	0.791	S	S	*	*			trans	-63.6	102.2	173.6	-82.9	-103.7	0	0	0	111.3	H562	H562-H564 PolarHBondContact O-N 3.3Å
565	S	25.4	Very low	26.7	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.1	128.3	166.6	-66.9	0	0	0	0	109.9	T563	T563-S565 PolarHBondContact O-N 2.94Å
566	R	25.9	Very low	26.7	Very low	245 Å²	245	138.1 Å²	138.1	93%	0.925	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.2	135.2	-176.9	-66.4	178.2	176.2	-179	-2.9	111.3	G568	R566-G568 PolarHBondContact O-N 2.93Å
567	M	32	Very low	26.7	Very low	186 Å²	186	140 Å²	140	92%	0.916	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.2	125.2	173.9	-150.8	161.1	-179	0	0	109.1
568	G	27.3	Very low	26.5	Very low	71 Å²	71	137 Å²	137	73%	0.732	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-71.9	134.7	-173.8	0	0	0	0	0	112.8	R566	R566-G568 PolarHBondContact O-N 2.93Å
569	S	28.7	Very low	26.4	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.8	132.4	174.7	48.5	0	0	0	0	112.1	M571	S569-M571 PolarHBondContact O-N 2.89Å
570	I	34.7	Very low	26.3	Very low	143 Å²	143	137.6 Å²	137.6	73%	0.733	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-65.2	118.4	175.2	-59.5	168.5	0	0	0	109.2
571	M	27	Very low	26.2	Very low	162 Å²	162	138.8 Å²	138.8	80%	0.798	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-89.7	118.4	175.7	-76.1	-85.5	-80.2	0	0	110.1	S569	S569-M571 PolarHBondContact O-N 2.89Å
572	S	26.4	Very low	26.1	Very low	115 Å²	115	135.5 Å²	135.5	80%	0.804	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.5	136.6	169.7	-176.2	0	0	0	0	110.7	G574	S572-G574 PolarHBondContact O-N 3.23Å
573	T	26.5	Very low	26	Very low	144 Å²	144	137.1 Å²	137.1	88%	0.883	82%	0.817	S	S	*	*			trans	-75	109.4	-178.6	48.9	0	0	0	0	111.5
574	G	25	Very low	25.9	Very low	66 Å²	66	137.3 Å²	137.3	68%	0.68	82%	0.823	S	S	*	*			trans	-162.1	114.1	174.2	0	0	0	0	0	113.8	S572	S572-G574 PolarHBondContact O-N 3.23Å
575	I	27.2	Very low	25.7	Very low	161 Å²	161	131.7 Å²	131.7	83%	0.826	82%	0.817	S	S	*	*			trans	66.7	111.2	165.6	-51.2	179.2	0	0	0	115.9
576	V	23.8	Very low	25.8	Very low	140 Å²	140	132.1 Å²	132.1	85%	0.848	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.5	121.9	168	178.2	0	0	0	0	109.7
577	Q	24.4	Very low	25.7	Very low	185 Å²	185	125.9 Å²	125.9	86%	0.864	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-100.8	118.5	157.4	-77.4	-172	-18.3	0	0	108.9
578	G	23.8	Very low	25.3	Very low	69 Å²	69	123.1 Å²	123.1	71%	0.711	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.7	137.1	-178.9	0	0	0	0	0	112.1
579	A	22	Very low	25.2	Very low	101 Å²	101	125.8 Å²	125.8	84%	0.835	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.8	131.4	171.8	0	0	0	0	0	110.7
580	T	24.3	Very low	25	Very low	144 Å²	144	124.2 Å²	124.2	88%	0.883	82%	0.818	S	S	*	*			trans	-125	129.1	165.4	41.9	0	0	0	0	110
581	T	22.6	Very low	24.5	Very low	143 Å²	143	123.1 Å²	123.1	88%	0.877	82%	0.819	S	S	*	*			trans	-98.2	110.9	-175.8	47.1	0	0	0	0	112.1
582	G	23	Very low	24.3	Very low	73 Å²	73	126.2 Å²	126.2	75%	0.753	82%	0.823	S	S	*	*			trans	66.8	124.6	141.2	0	0	0	0	0	120.8
583	Q	23.5	Very low	24.2	Very low	203 Å²	203	130.2 Å²	130.2	95%	0.949	82%	0.822	S	S	*	*				-164.8	164.9	123.3	-107.9	176.7	18.1	0	0	111.8
584	S	23.9	Very low	24.1	Very low	123 Å²	123	129 Å²	129	86%	0.86	82%	0.816	S	S	*	*			trans	-97.1	145.5	-164.1	51.7	0	0	0	0	115.2
585	G	21.9	Very low	24	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	82%	0.819	S	S	*	*			trans	-166.8	150.4	167.6	0	0	0	0	0	112.7
586	P	27	Very low	23.8	Very low	121 Å²	121	130.8 Å²	130.8	79%	0.786	82%	0.815	S	S	*	*			trans	-102.8	153.7	-159.7	38.7	-36.1	0	0	0	116.9
587	S	24	Very low	23.9	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	81%	0.807	S	S	*	*			trans	41	115.3	147.7	63.2	0	0	0	0	121.1
588	S	24.7	Very low	23.8	Very low	129 Å²	129	129.5 Å²	129.5	90%	0.902	80%	0.804	S	S	*	*				-159.4	156	129.9	48.8	0	0	0	0	111.9
589	S	24	Very low	23.8	Very low	126 Å²	126	134.8 Å²	134.8	88%	0.881	81%	0.807	S	S	*	*			trans	-85.5	140.3	-169.4	50.3	0	0	0	0	114.2
590	G	25	Very low	23.9	Very low	74 Å²	74	136 Å²	136	76%	0.763	80%	0.804	S	S	*	*			trans	-157.7	112.4	169.2	0	0	0	0	0	112.4
591	T	23.4	Very low	24	Very low	121 Å²	121	137.7 Å²	137.7	74%	0.742	81%	0.805	S	S	*	*			trans	-77.7	126.1	-173.9	-41.8	0	0	0	0	112.3
592	Y	23.9	Very low	24.1	Very low	227 Å²	227	134.6 Å²	134.6	89%	0.89	80%	0.801	S	S	*	*			trans	-139.8	137.4	161	-101.4	-86.2	0	0	0	111.6
593	Y	23.6	Very low	24.2	Very low	199 Å²	199	134.6 Å²	134.6	78%	0.78	80%	0.801	S	S	*	*			trans	-82	134.8	-170.8	-68.7	-99.5	0	0	0	112.5	I595	Y593-I595 PolarHBondContact O-N 3.06Å
594	P	24.3	Very low	24.3	Very low	118 Å²	118	129.5 Å²	129.5	77%	0.766	79%	0.794	S	S	*	*			trans	-83.5	107.2	164	31.8	-29.4	0	0	0	110.1	T596	P594-T596 PolarHBondContact O-N 3.3Å
595	I	23.7	Very low	24.4	Very low	146 Å²	146	128.6 Å²	128.6	75%	0.749	79%	0.794	S	S	*	*			trans	-75.9	105.4	168.4	-65.6	178.4	0	0	0	108.3	Y593	Y593-I595 PolarHBondContact O-N 3.06Å
596	T	23.9	Very low	24.6	Very low	118 Å²	118	132 Å²	132	72%	0.724	79%	0.793	S	S	*	*			trans	-76.4	126.8	160.7	-46.7	0	0	0	0	108.3	P594	P594-T596 PolarHBondContact O-N 3.3Å
597	N	24.1	Very low	24.6	Very low	128 Å²	128	131.2 Å²	131.2	68%	0.684	79%	0.79	S	S	*	*			trans	-138.1	102.7	163	-107.8	-9.8	0	0	0	109.6
598	Q	23.4	Very low	24.7	Very low	171 Å²	171	134 Å²	134	80%	0.799	79%	0.793	S	S	*	*			trans	-65.5	136.1	157.3	-67.6	172.2	-43.1	0	0	108
599	F	24.2	Very low	24.7	Very low	179 Å²	179	131.9 Å²	131.9	79%	0.785	78%	0.783	S	S	*	*			trans	-128.7	99.2	156.5	-96.9	-78.2	0	0	0	109.9
600	T	23.3	Very low	24.9	Very low	126 Å²	126	131.4 Å²	131.4	77%	0.773	78%	0.78	S	S	*	*			trans	-73.2	128.8	165.5	-42.9	0	0	0	0	108.4
601	M	27.4	Very low	25.2	Very low	181 Å²	181	133.6 Å²	133.6	89%	0.892	78%	0.781	S	S	*	*			trans	-130.6	106.6	164.3	-94.7	-67.3	-150.2	0	0	108.8
602	G	24.1	Very low	25.5	Very low	77 Å²	77	136.9 Å²	136.9	79%	0.794	79%	0.79	S	S	*	*			trans	-80.7	131.9	167.7	0	0	0	0	0	110.1
603	G	25.5	Very low	25.6	Very low	74 Å²	74	132.3 Å²	132.3	76%	0.763	79%	0.785	S	S	*	*			trans	-140.3	138.9	170.9	0	0	0	0	0	108.8
604	A	25.5	Very low	25.8	Very low	96 Å²	96	130 Å²	130	79%	0.793	79%	0.785	S	S	*	*			trans	-66.8	142.4	-165.3	0	0	0	0	0	113.8	I606	A604-I606 PolarHBondContact O-N 3.26Å
605	A	25.5	Very low	26.1	Very low	104 Å²	104	129.9 Å²	129.9	86%	0.86	78%	0.784	S	S	*	*			trans	-69.5	116.3	169.3	0	0	0	0	0	110.1
606	I	26.8	Very low	26.3	Very low	143 Å²	143	127.5 Å²	127.5	73%	0.733	78%	0.781	S	S	*	*			trans	-94	102.5	173.2	-53.4	-178.3	0	0	0	108.5	A604 M608	A604-I606 PolarHBondContact O-N 3.26Å; I606-M608 HydrophobicContact CG2-CG 4.02Å; I606-M608 HydrophobicContact CG2-SD 4.15Å
607	S	25.5	Very low	26.4	Very low	105 Å²	105	129.5 Å²	129.5	73%	0.734	79%	0.787	S	S	*	*			trans	-70.5	122.3	166.5	177.8	0	0	0	0	109.5
608	M	26.6	Very low	26.7	Very low	173 Å²	173	128.8 Å²	128.8	85%	0.852	79%	0.787	S	S	*	*			trans	-116.6	70.5	172.8	-70.9	-64.8	-78.3	0	0	110.5	I606	I606-M608 HydrophobicContact CG2-CG 4.02Å; I606-M608 HydrophobicContact CG2-SD 4.15Å
609	A	26.2	Very low	26.9	Very low	84 Å²	84	128.9 Å²	128.9	69%	0.694	79%	0.79	S	S	*	*			trans	-96.4	96.5	163.6	0	0	0	0	0	109.6
610	S	27.2	Very low	27.1	Very low	116 Å²	116	129 Å²	129	81%	0.811	79%	0.792	S	S	*	*			trans	-171	148.3	155	-85.9	0	0	0	0	111.3
611	P	32.3	Very low	27.4	Very low	119 Å²	119	133.8 Å²	133.8	77%	0.773	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-78.2	142.7	-171.6	31.5	-35.4	0	0	0	112.9
612	M	27.7	Very low	27.4	Very low	191 Å²	191	128.2 Å²	128.2	94%	0.941	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.1	128.1	169.4	-93.8	-163.9	-79.1	0	0	111.3
613	V	26.3	Very low	27.9	Very low	131 Å²	131	134.3 Å²	134.3	79%	0.794	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.6	138.5	174.3	172.5	0	0	0	0	110.1	P615	V613-P615 WeakPolarHBondContact O-CD 3.39Å
614	I	29.5	Very low	28	Very low	149 Å²	149	137.3 Å²	137.3	76%	0.764	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.9	121.5	175.2	-59.9	165.6	0	0	0	109.4	S616	I614-S616 PolarHBondContact O-N 3.34Å
615	P	29.2	Very low	28.1	Very low	117 Å²	117	139.5 Å²	139.5	76%	0.76	82%	0.821	S	S	*	*			trans	-82.5	102.8	166.6	30.8	-28.6	0	0	0	110	V613 N617	V613-P615 WeakPolarHBondContact O-CD 3.39Å; P615-N617 PolarHBondContact O-N 3.25Å
616	S	27.4	Very low	28.3	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	82%	0.819	S	S	*	*			trans	-75.6	100.9	172.9	54.4	0	0	0	0	111.3	I614	I614-S616 PolarHBondContact O-N 3.34Å
617	N	27.6	Very low	28.4	Very low	160 Å²	160	141.4 Å²	141.4	86%	0.856	82%	0.824	S	S	*	*			trans	-94.6	91.6	168.4	-89.2	-8	0	0	0	110.9	P615 M619	P615-N617 PolarHBondContact O-N 3.25Å; N617-M619 PolarHBondContact O-N 3.4Å
618	T	28.9	Very low	28.5	Very low	113 Å²	113	143.6 Å²	143.6	69%	0.693	83%	0.83	S	S	*	*			trans	-76.9	109.1	172.8	-43	0	0	0	0	109.7	H620	T618-H620 PolarHBondContact O-N 3.31Å
619	M	28.9	Very low	28.7	Very low	172 Å²	172	141.7 Å²	141.7	85%	0.847	83%	0.828	S	S	*	*			trans	-77.9	108.1	169.9	-77.2	-117.9	-72.6	0	0	110.1	N617	N617-M619 PolarHBondContact O-N 3.4Å
620	H	27.7	Very low	28.8	Very low	181 Å²	181	145.8 Å²	145.8	84%	0.838	84%	0.838	S	S	*	*			trans	-76.2	122.3	168.5	-100.9	-77	0	0	0	110.4	T618	T618-H620 PolarHBondContact O-N 3.31Å
621	Y	29.5	Very low	29	Very low	228 Å²	228	148.1 Å²	148.1	89%	0.894	84%	0.84	S	S	*	*			trans	-77	139.8	158.6	-98.3	-93.9	0	0	0	109.8
622	G	27.8	Very low	28.7	Very low	64 Å²	64	150.5 Å²	150.5	66%	0.66	85%	0.845	S	S	*	*			trans	-163.1	118.2	173.7	0	0	0	0	0	111.7
623	S	33.8	Very low	28.8	Very low	204 Å²	204	146.8 Å²	146.8	100%	1.427	84%	0.837	S	S	*	*			trans	57.2	0	178.3	49.4	0	0	0	0	117.1

Retrieved 623 of 623 residues in 315.9 ms (Link to these results)

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