A0A093HJ44_STRCA Loading...

Leucine-rich repeat transmembrane neuronal protein 1

AlphaFold DB , UniProt , Accession A0A093HJ44, Species STRCA (Struthio camelus australis), Gene n/a, Length 491 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	34.5	Very low	30.6	Very low	210 Å²	210	149.7 Å²	149.7	100%	1.034	81%	0.81	S	S	*	*				0	102.7	0	-52.5	-53.8	-173.4	0	0	103.7
2	D	30.2	Very low	30.5	Very low	158 Å²	158	156.7 Å²	156.7	85%	0.845	82%	0.816	S	S	*	*				-152.2	155.5	65	-72.9	-42.3	0	0	0	114.9
3	F	30.2	Very low	30.3	Very low	180 Å²	180	154.5 Å²	154.5	79%	0.789	81%	0.805	S	S	*	*			trans	-68.3	141	179.4	-79.5	-111.6	0	0	0	113
4	L	32.9	Very low	30.4	Very low	150 Å²	150	154.2 Å²	154.2	79%	0.785	80%	0.803	S	S	*	*				158.6	157.8	120.9	-116.9	80.8	0	0	0	110.4
5	L	36.8	Very low	30.3	Very low	157 Å²	157	158.9 Å²	158.9	82%	0.822	81%	0.806	S	S	*	*			trans	81.1	89	-166.2	-69.1	112.9	0	0	0	113.5
6	I	33	Very low	30.3	Very low	150 Å²	150	161.1 Å²	161.1	77%	0.769	81%	0.809	S	S	*	*				47.8	110.8	68.8	-48.9	170.3	0	0	0	108.9
7	G	26.3	Very low	31	Very low	62 Å²	62	158.2 Å²	158.2	64%	0.639	80%	0.804	S	S	*	*			cis	109.1	125	39.8	0	0	0	0	0	108.1
8	L	28.3	Very low	31.7	Very low	165 Å²	165	156.3 Å²	156.3	86%	0.864	80%	0.804	S	S	*	*			trans	84.5	115.3	164.1	-59.5	158.5	0	0	0	118.5
9	C	26.9	Very low	31.5	Very low	109 Å²	109	151.8 Å²	151.8	74%	0.736	80%	0.8	S	S	*	*				136.2	98.9	124.1	-93	0	0	0	0	110.7
10	L	26.3	Very low	31.5	Very low	149 Å²	149	152.5 Å²	152.5	78%	0.78	80%	0.803	S	S	*	*				70.6	108.6	95.9	-102.5	99.2	0	0	0	113.2	W12	L10-W12 PolarHBondContact O-N 3.34Å
11	N	31.2	Very low	31.8	Very low	157 Å²	157	153.3 Å²	153.3	84%	0.84	81%	0.806	S	S	*	*				4.7	107.3	129.6	-92.1	-16.5	0	0	0	115
12	W	29.2	Very low	31.7	Very low	233 Å²	233	150.4 Å²	150.4	88%	0.883	79%	0.794	S	S	*	*			trans	-140.5	103.7	152.4	-131.7	60.7	0	0	0	111.2	L10	L10-W12 PolarHBondContact O-N 3.34Å
13	L	28	Very low	32.1	Very low	129 Å²	129	147.8 Å²	147.8	68%	0.675	79%	0.787	S	S	*	*			trans	41.2	115.9	142.9	-82.3	92	0	0	0	121.3
14	L	31.8	Very low	32.5	Very low	150 Å²	150	145.8 Å²	145.8	79%	0.785	79%	0.79	S	S	*	*				18.7	129.7	112.1	-90.6	114.5	0	0	0	119.1
15	R	28.9	Very low	32.7	Very low	224 Å²	224	147.5 Å²	147.5	85%	0.845	80%	0.799	S	S	*	*			trans	111.7	110.4	142.2	-82	176.9	167.4	179.7	-2	118.3
16	K	30.3	Very low	32.9	Very low	195 Å²	195	142.8 Å²	142.8	85%	0.848	79%	0.788	S	S	*	*			trans	117.9	152.3	132	-80.3	-163	179	-174	0	119.3
17	P	41.6	Very low	33.6	Very low	112 Å²	112	144 Å²	144	73%	0.727	79%	0.794	S	S	*	*			trans	-119.2	-148.6	-138.8	45.8	-32.1	0	0	0	112.5
18	P	43.7	Very low	34.5	Very low	123 Å²	123	148 Å²	148	80%	0.799	81%	0.807	S	S	*	*			cis	-113.5	166.7	-48.5	32.5	-15.7	0	0	0	112.3
19	G	28.5	Very low	34.9	Very low	71 Å²	71	145.8 Å²	145.8	73%	0.732	81%	0.805	S	S	*	*			trans	121.3	129.8	154.4	0	0	0	0	0	117.2
20	L	32.1	Very low	35.6	Very low	165 Å²	165	149.9 Å²	149.9	86%	0.864	81%	0.81	S	S	*	*			trans	66.7	86	166.3	-81.5	87.8	0	0	0	118.2
21	I	36.8	Very low	36.1	Very low	170 Å²	170	151.3 Å²	151.3	87%	0.872	82%	0.815	S	S	*	*				-137	92.9	125.7	-56	-176.9	0	0	0	107.4
22	L	33	Very low	36.4	Very low	149 Å²	149	151.5 Å²	151.5	78%	0.78	82%	0.815	S	S	*	*			trans	-77.5	152.3	161.6	-120.7	102.9	0	0	0	108.6
23	C	39.2	Very low	36.7	Very low	103 Å²	103	145.7 Å²	145.7	70%	0.696	81%	0.807	S	S	*	*			trans	76.7	97.2	163.5	-61.2	0	0	0	0	116.8
24	T	38.2	Very low	37.4	Very low	139 Å²	139	143.7 Å²	143.7	85%	0.853	81%	0.809	S	S	*	*	S	Bend	trans	172.4	22.9	130.5	37.6	0	0	0	0	114.9
25	L	36.2	Very low	38	Very low	185 Å²	185	141.2 Å²	141.2	97%	0.969	80%	0.8	S	S	*	*			trans	-129.1	47.4	169.8	-77.5	166.6	0	0	0	112.7
26	G	42	Very low	38.7	Very low	58 Å²	58	137.8 Å²	137.8	60%	0.598	80%	0.799	S	S	*	*			trans	-113.9	141	155.4	0	0	0	0	0	107.5
27	I	47.3	Very low	40	Very low	175 Å²	175	130 Å²	130	90%	0.897	77%	0.769	S	S	*	*	S	Bend	trans	93.5	76.9	-178.4	-44.7	153.1	0	0	0	113.2
28	V	44.7	Very low	41.3	Very low	148 Å²	148	127.6 Å²	127.6	90%	0.897	76%	0.764	S	S	*	*	S	Bend		-166.8	52.1	123.4	-166.5	0	0	0	0	110.2
29	S	37.5	Very low	43.1	Very low	118 Å²	118	124.2 Å²	124.2	83%	0.825	74%	0.743	S	S	*	*	S	Bend	trans	-155.6	58.8	161.9	-163.1	0	0	0	0	112.3
30	K	40.6	Very low	45.8	Very low	195 Å²	195	122.2 Å²	122.2	85%	0.848	72%	0.717	S	S	*	*			trans	-149.1	97.4	154.1	-85.3	-164.4	179.7	179.5	0	107
31	M	37.4	Very low	47.9	Very low	179 Å²	179	122.6 Å²	122.6	88%	0.882	72%	0.715	S	S	*	*			trans	-173.8	61.5	138.5	-81.3	-41.6	168.2	0	0	107.5
32	L	37.8	Very low	50.1	Low	161 Å²	161	121.7 Å²	121.7	84%	0.843	71%	0.711	S	S	*	*	S	Bend	trans	-78.1	126.5	136.6	-89.7	98.6	0	0	0	104.8	A34	L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.26Å
33	P	36.5	Very low	52.9	Low	111 Å²	111	115.6 Å²	115.6	72%	0.721	68%	0.68	S	S	*	*			trans	-64.6	102.6	165	28	-30.8	0	0	0	106.3	V35	P33-V35 PolarHBondContact O-N 3.07Å
34	A	41.1	Very low	55.5	Low	87 Å²	87	118.5 Å²	118.5	72%	0.719	68%	0.676	S	S	*	*			trans	-66.2	84.3	163.9	0	0	0	0	0	107.5	L32 N36	L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.26Å; A34-N36 PolarHBondContact O-N 3.41Å
35	V	44	Very low	58	Low	97 Å²	97	114.2 Å²	114.2	59%	0.588	65%	0.652	S	S	*	*			trans	-79.4	73.6	159.4	-174.8	0	0	0	0	105.9	P33 S37	P33-V35 PolarHBondContact O-N 3.07Å; V35-S37 PolarHBondContact O-N 3.44Å
36	N	44	Very low	60.7	Low	152 Å²	152	109.4 Å²	109.4	81%	0.813	62%	0.624	S	S	*	*			trans	-76.2	68.2	162.8	-95.2	4.5	0	0	0	107.9	A34 G38	A34-N36 PolarHBondContact O-N 3.41Å; N36-G38 PolarHBondContact O-N 2.93Å
37	S	57.4	Low	62.9	Low	33 Å²	33	110.3 Å²	110.3	23%	0.231	63%	0.633	C	S	.	*			trans	-78.5	84	146.6	45.4	0	0	0	0	105.5	V35 C39	V35-S37 PolarHBondContact O-N 3.44Å; S37-C39 PolarHBondContact O-N 3.24Å
38	G	68.9	Low	65	Low	61 Å²	61	108.7 Å²	108.7	63%	0.629	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-50.8	134.8	172.7	0	0	0	0	0	109	N36	N36-G38 PolarHBondContact O-N 2.93Å
39	C	82.8	Confident	67.4	Low	51 Å²	51	103.9 Å²	103.9	35%	0.345	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-53.4	129.1	175.5	-167.4	0	0	0	0	108.7	S37 Q41 C43 C45	S37-C39 PolarHBondContact O-N 3.24Å; C39-Q41 PolarHBondContact O-N 3.14Å; C39-C43 PolarHBondContact SG-O 3.41Å; C39-C43 VanDerWaalsContact SG-O 3.34Å; C39-C45 WeakPolarHBondContact CA-SG 3.3Å; C39-C45 HydrophobicContact CB-CB 3.79Å; C39-C45 WeakPolarHBondContact CB-SG 3.37Å; C39-C45 WeakPolarHBondContact SG-CB 3.46Å; C39-C45 PolarHBondContact SG-N 3.24Å; C39-C45 VanDerWaalsContact SG-N 3.44Å; C39-C45 CovalentContact SG-SG 2.03Å; C39-C45 PolarHBondContact SG-SG 2.81Å
40	P	84.6	Confident	70.1	Confident	29 Å²	29	98.3 Å²	98.3	19%	0.188	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-53.8	140.7	177.4	-22.8	31.2	0	0	0	110.4	L42 C43 L50 P61 L64	P40-L42 PolarHBondContact O-N 3.2Å; P40-C43 HydrophobicContact CB-CB 4.16Å; P40-C43 HydrophobicContact CG-CB 4.48Å; P40-C43 PolarHBondContact O-N 3.34Å; P40-C43 VanDerWaalsContact O-N 3.07Å; P40-L50 HydrophobicContact CG-CD1 4.17Å; P40-L50 HydrophobicContact CG-CD2 4.2Å; P40-P61 HydrophobicContact CB-CB 4.24Å; P40-P61 HydrophobicContact CG-CB 4.02Å; P40-L64 HydrophobicContact CG-CD2 3.78Å
41	Q	75.9	Confident	72.7	Confident	174 Å²	174	92 Å²	92	81%	0.813	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	137.5	176.3	-64.7	-63.9	-44.2	0	0	109.3	C39 C43	C39-Q41 PolarHBondContact O-N 3.14Å; Q41-C43 PolarHBondContact O-N 3.13Å
42	L	84.2	Confident	75.4	Confident	151 Å²	151	83.5 Å²	83.5	79%	0.791	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-11.4	-175.3	-52.5	160.2	0	0	0	116.4	P40 L55	P40-L42 PolarHBondContact O-N 3.2Å; L42-L55 HydrophobicContact CB-CD1 4.03Å; L42-L55 HydrophobicContact CB-CD2 3.86Å; L42-L55 WeakPolarHBondContact O-CD1 3.5Å
43	C	91.2	Very high	78.2	Confident	20 Å²	20	79.4 Å²	79.4	14%	0.135	45%	0.452	C	S	.	.			trans	-88.6	154.3	173.4	-60.8	0	0	0	0	112	C39 P40 Q41 L50 Y51 C52	C39-C43 PolarHBondContact SG-O 3.41Å; C39-C43 VanDerWaalsContact SG-O 3.34Å; P40-C43 HydrophobicContact CB-CB 4.16Å; P40-C43 HydrophobicContact CG-CB 4.48Å; P40-C43 PolarHBondContact O-N 3.34Å; P40-C43 VanDerWaalsContact O-N 3.07Å; Q41-C43 PolarHBondContact O-N 3.13Å; C43-L50 HydrophobicContact CB-CD1 3.68Å; C43-Y51 WeakPolarHBondContact CA-O 2.96Å; C43-C52 HydrophobicContact CB-CB 4.11Å; C43-C52 WeakPolarHBondContact CB-SG 3.39Å; C43-C52 WeakPolarHBondContact SG-CB 3.25Å; C43-C52 CovalentContact SG-SG 2.03Å; C43-C52 PolarHBondContact SG-SG 2.81Å
44	R	92.4	Very high	80.9	Confident	164 Å²	164	78.2 Å²	78.2	62%	0.619	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.6	172.6	174.7	180	177.5	166.6	0.9	109.5	E46 Y51	R44-E46 IonicContact CZ-OE1 3.08Å; R44-E46 IonicContact NE-OE1 3.25Å; R44-E46 PolarHBondContact NE-OE1 3.02Å; R44-E46 IonicContact NH2-OE1 2.63Å; R44-E46 PolarHBondContact NH2-OE1 3.49Å; R44-Y51 PolarHBondContact N-O 3.31Å; R44-Y51 PolarHBondContact O-N 3.37Å
45	C	92	Very high	83.4	Confident	50 Å²	50	76.7 Å²	76.7	34%	0.338	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.2	176.4	-61.8	0	0	0	0	111.4	C39 L49 L50	C39-C45 WeakPolarHBondContact CA-SG 3.3Å; C39-C45 HydrophobicContact CB-CB 3.79Å; C39-C45 WeakPolarHBondContact CB-SG 3.37Å; C39-C45 WeakPolarHBondContact SG-CB 3.46Å; C39-C45 PolarHBondContact SG-N 3.24Å; C39-C45 VanDerWaalsContact SG-N 3.44Å; C39-C45 CovalentContact SG-SG 2.03Å; C39-C45 PolarHBondContact SG-SG 2.81Å; C45-L49 WeakPolarHBondContact CA-O 3.44Å; C45-L50 WeakPolarHBondContact SG-CD1 3.01Å
46	E	91.9	Very high	85.8	Confident	83 Å²	83	77.6 Å²	77.6	39%	0.388	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	94	174.5	-67	-173.5	-179.4	0	0	109.6	R44 R48 L49 Y51	R44-E46 IonicContact CZ-OE1 3.08Å; R44-E46 IonicContact NE-OE1 3.25Å; R44-E46 PolarHBondContact NE-OE1 3.02Å; R44-E46 IonicContact NH2-OE1 2.63Å; R44-E46 PolarHBondContact NH2-OE1 3.49Å; E46-R48 PolarHBondContact O-N 3.43Å; E46-L49 HydrophobicContact CB-CB 4.45Å; E46-L49 PolarHBondContact N-O 3.44Å; E46-L49 WeakPolarHBondContact O-CB 3.49Å; E46-L49 PolarHBondContact O-N 2.63Å; E46-Y51 HydrophobicContact CB-CE2 4.47Å
47	G	88.6	Confident	88.1	Confident	77 Å²	77	72.4 Å²	72.4	79%	0.794	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	-106.4	-173.9	0	0	0	0	0	111.6
48	R	91.9	Very high	89.8	Confident	142 Å²	142	75.5 Å²	75.5	54%	0.536	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	14.7	177.5	-62.2	-175.7	-176.2	-177.9	4.7	113.1	E46 M67 M68 G69	E46-R48 PolarHBondContact O-N 3.43Å; R48-M67 CarbonylContact O-C 3.54Å; R48-M67 WeakPolarHBondContact O-CA 3.03Å; R48-M68 HydrophobicContact CB-CB 4.09Å; R48-M68 HydrophobicContact CB-CG 3.96Å; R48-M68 HydrophobicContact CB-SD 4.3Å; R48-M68 PolarHBondContact O-N 3.35Å; R48-G69 PolarHBondContact O-N 3.41Å
49	L	94.6	Very high	90.8	Very high	47 Å²	47	78.1 Å²	78.1	25%	0.246	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.2	177.3	-48.2	-179.1	0	0	0	108.7	C45 E46 Y51 M68 W93	C45-L49 WeakPolarHBondContact CA-O 3.44Å; E46-L49 HydrophobicContact CB-CB 4.45Å; E46-L49 PolarHBondContact N-O 3.44Å; E46-L49 WeakPolarHBondContact O-CB 3.49Å; E46-L49 PolarHBondContact O-N 2.63Å; L49-Y51 HydrophobicContact CB-CE2 3.71Å; L49-Y51 HydrophobicContact CD1-CE2 4.48Å; L49-M68 HydrophobicContact CD2-CB 4.16Å; L49-W93 HydrophobicContact CB-CZ2 4.14Å; L49-W93 HydrophobicContact CD1-CZ2 4.34Å; L49-W93 HydrophobicContact CD2-CZ2 3.8Å; L49-W93 HydrophobicContact CG-CZ2 4.3Å
50	L	94.6	Very high	91	Very high	1 Å²	1	77 Å²	77	1%	0.005	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.1	-179.9	177.7	63	0	0	0	110	P40 C43 C45 L64 M67 G69 L70 S71	P40-L50 HydrophobicContact CG-CD1 4.17Å; P40-L50 HydrophobicContact CG-CD2 4.2Å; C43-L50 HydrophobicContact CB-CD1 3.68Å; C45-L50 WeakPolarHBondContact SG-CD1 3.01Å; L50-L64 HydrophobicContact CD2-CD1 3.44Å; L50-L64 VanDerWaalsContact CD2-CD1 3.44Å; L50-L64 HydrophobicContact CD2-CD2 3.54Å; L50-L64 HydrophobicContact CD2-CG 4.11Å; L50-M67 HydrophobicContact CB-SD 4.39Å; L50-G69 PolarHBondContact N-O 2.85Å; L50-L70 HydrophobicContact CB-CD1 4.19Å; L50-L70 HydrophobicContact CD2-CD1 3.79Å; L50-L70 HydrophobicContact CG-CD1 4.02Å; L50-L70 WeakPolarHBondContact O-CA 3.35Å; L50-S71 PolarHBondContact O-N 2.87Å
51	Y	95.6	Very high	91.1	Very high	63 Å²	63	76.6 Å²	76.6	25%	0.247	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.9	178.5	-58.7	-88.9	0	0	0	109.8	C43 R44 E46 L49 W93	C43-Y51 WeakPolarHBondContact CA-O 2.96Å; R44-Y51 PolarHBondContact N-O 3.31Å; R44-Y51 PolarHBondContact O-N 3.37Å; E46-Y51 HydrophobicContact CB-CE2 4.47Å; L49-Y51 HydrophobicContact CB-CE2 3.71Å; L49-Y51 HydrophobicContact CD1-CE2 4.48Å; Y51-W93 HydrophobicContact CD1-CH2 4.37Å; Y51-W93 AromaticContact CE1-CH2 3.73Å; Y51-W93 HydrophobicContact CE1-CH2 3.73Å; Y51-W93 HydrophobicContact CE1-CZ2 4.34Å; Y51-W93 AromaticContact CZ-CH2 3.91Å
52	C	94.4	Very high	91.4	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.398	C	S	.	.			trans	-120.3	71.3	178.6	-66.5	0	0	0	0	108.5	C43 L55 L57 S71 L72 N75	C43-C52 HydrophobicContact CB-CB 4.11Å; C43-C52 WeakPolarHBondContact CB-SG 3.39Å; C43-C52 WeakPolarHBondContact SG-CB 3.25Å; C43-C52 CovalentContact SG-SG 2.03Å; C43-C52 PolarHBondContact SG-SG 2.81Å; C52-L55 HydrophobicContact CB-CD1 4.14Å; C52-L57 HydrophobicContact CB-CD1 3.93Å; C52-S71 PolarHBondContact N-O 2.83Å; C52-L72 HydrophobicContact CB-CD2 3.61Å; C52-L72 WeakPolarHBondContact O-CA 3.47Å; C52-N75 PolarHBondContact O-ND2 3.18Å
53	E	95.1	Very high	91	Very high	74 Å²	74	77.6 Å²	77.6	35%	0.346	40%	0.397	S	S	.	.			trans	-109.3	142.5	-170	-57.2	-179.8	178.9	0	0	111.4	L55 S71 R73	E53-L55 VanDerWaalsContact C-N 3.26Å; E53-L55 PolarHBondContact O-N 3.34Å; E53-S71 WeakPolarHBondContact CG-OG 3.46Å; E53-S71 VanDerWaalsContact OE1-CB 3.3Å; E53-S71 WeakPolarHBondContact OE1-CB 3.24Å; E53-S71 PolarHBondContact OE1-OG 2.03Å; E53-R73 VanDerWaalsContact CA-O 3.28Å; E53-R73 WeakPolarHBondContact CA-O 3.44Å; E53-R73 HydrophobicContact CG-CB 4.14Å
54	S	94.7	Very high	90.7	Very high	87 Å²	87	77.5 Å²	77.5	61%	0.608	40%	0.395	S	S	*	.	S	Bend	trans	59.1	32.8	176.8	-52.1	0	0	0	0	114.6	R73 Y74	S54-R73 PolarHBondContact N-O 3.33Å; S54-R73 VanDerWaalsContact N-O 3.11Å; S54-Y74 VanDerWaalsContact CA-O 3.24Å; S54-Y74 WeakPolarHBondContact CA-O 3.05Å; S54-Y74 PolarHBondContact N-O 3.23Å
55	L	93.5	Very high	90.4	Very high	54 Å²	54	72.2 Å²	72.2	28%	0.283	38%	0.383	S	S	.	.	S	Bend	trans	-103.2	4.4	-177.2	-65.6	179.4	0	0	0	113	L42 C52 E53 L57 N75	L42-L55 HydrophobicContact CB-CD1 4.03Å; L42-L55 HydrophobicContact CB-CD2 3.86Å; L42-L55 WeakPolarHBondContact O-CD1 3.5Å; C52-L55 HydrophobicContact CB-CD1 4.14Å; E53-L55 VanDerWaalsContact C-N 3.26Å; E53-L55 PolarHBondContact O-N 3.34Å; L55-L57 HydrophobicContact CB-CD1 4.18Å; L55-L57 HydrophobicContact CB-CD2 4.28Å; L55-L57 HydrophobicContact CB-CG 3.79Å; L55-L57 HydrophobicContact CD1-CD1 4.32Å; L55-L57 PolarHBondContact O-N 2.98Å; L55-N75 PolarHBondContact N-OD1 3.07Å
56	N	93.7	Very high	90.1	Very high	116 Å²	116	71.2 Å²	71.2	62%	0.62	38%	0.381	S	S	*	.			trans	53.8	34.9	-176.2	-160.5	25.5	0	0	0	112.9	T58 N75 S76	N56-T58 PolarHBondContact O-N 3.07Å; N56-N75 PolarHBondContact N-OD1 3.2Å; N56-N75 VanDerWaalsContact N-OD1 3.16Å; N56-S76 WeakPolarHBondContact OD1-CB 3.37Å; N56-S76 PolarHBondContact OD1-OG 3.01Å
57	L	92.6	Very high	90.1	Very high	44 Å²	44	68.1 Å²	68.1	23%	0.23	37%	0.367	C	S	.	.			trans	-68.3	130.4	-179.4	-63.3	171.5	0	0	0	110.5	C52 L55 P61 L72 N75 S76 L77	C52-L57 HydrophobicContact CB-CD1 3.93Å; L55-L57 HydrophobicContact CB-CD1 4.18Å; L55-L57 HydrophobicContact CB-CD2 4.28Å; L55-L57 HydrophobicContact CB-CG 3.79Å; L55-L57 HydrophobicContact CD1-CD1 4.32Å; L55-L57 PolarHBondContact O-N 2.98Å; L57-P61 HydrophobicContact CD1-CG 4.4Å; L57-L72 HydrophobicContact CD1-CD2 3.87Å; L57-N75 HydrophobicContact CB-CB 4.12Å; L57-N75 PolarHBondContact N-OD1 3.04Å; L57-S76 CarbonylContact O-C 3.2Å; L57-S76 WeakPolarHBondContact O-CA 3.27Å; L57-S76 PolarHBondContact O-N 2.83Å; L57-L77 PolarHBondContact O-N 3.16Å
58	T	92.6	Very high	90.4	Very high	97 Å²	97	67.5 Å²	67.5	60%	0.595	34%	0.344	S	S	*	.	S	Bend	trans	-96.6	-24.4	172.3	55.8	0	0	0	0	112.4	N56 L77	N56-T58 PolarHBondContact O-N 3.07Å; T58-L77 WeakPolarHBondContact O-CD2 3.28Å
59	E	89.8	Confident	90.6	Very high	117 Å²	117	60.7 Å²	60.7	55%	0.547	32%	0.319	S	S	.	.	S	Bend	trans	-123.4	158.1	177	-70.4	-174.4	-166.3	0	0	111.3	R62	E59-R62 IonicContact OE2-CZ 3.73Å; E59-R62 IonicContact OE2-NE 3.76Å; E59-R62 IonicContact OE2-NH2 2.71Å; E59-R62 PolarHBondContact OE2-NH2 3.17Å
60	M	87.8	Confident	90.6	Very high	27 Å²	27	58.5 Å²	58.5	13%	0.133	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-74.1	138.8	175.8	-173.4	-97.9	-164.8	0	0	111	R62 L64 L70 L72 Q84 F85 L88	M60-R62 PolarHBondContact O-N 3.43Å; M60-L64 HydrophobicContact CE-CD1 3.92Å; M60-L64 HydrophobicContact SD-CD1 4.41Å; M60-L70 HydrophobicContact CE-CD2 4.15Å; M60-L72 HydrophobicContact CG-CD1 4.25Å; M60-Q84 HydrophobicContact CB-CG 4.32Å; M60-F85 HydrophobicContact CE-CD1 4.16Å; M60-L88 HydrophobicContact CE-CD1 3.34Å; M60-L88 HydrophobicContact CE-CG 4.25Å
61	P	85.3	Confident	90.7	Very high	21 Å²	21	58.5 Å²	58.5	14%	0.136	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61.6	128.6	179.7	-18.6	28.7	0	0	0	111.6	P40 L57 L64 L72	P40-P61 HydrophobicContact CB-CB 4.24Å; P40-P61 HydrophobicContact CG-CB 4.02Å; L57-P61 HydrophobicContact CD1-CG 4.4Å; P61-L64 HydrophobicContact CB-CD1 4.01Å; P61-L64 HydrophobicContact CB-CG 4.39Å; P61-L64 HydrophobicContact CG-CD1 4.4Å; P61-L64 WeakPolarHBondContact O-CD1 3.34Å; P61-L64 WeakPolarHBondContact O-CG 3.3Å; P61-L72 HydrophobicContact CG-CD2 4.28Å
62	R	82.4	Confident	90.8	Very high	199 Å²	199	55.5 Å²	55.5	75%	0.751	30%	0.295	S	S	*	.	S	Bend	trans	-75.8	160.1	-175.9	-59.4	-178.1	-171.1	-170.2	1.8	111.7	E59 M60 L64	E59-R62 IonicContact OE2-CZ 3.73Å; E59-R62 IonicContact OE2-NE 3.76Å; E59-R62 IonicContact OE2-NH2 2.71Å; E59-R62 PolarHBondContact OE2-NH2 3.17Å; M60-R62 PolarHBondContact O-N 3.43Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 3.11Å
63	N	76.9	Confident	90.9	Very high	146 Å²	146	58.8 Å²	58.8	78%	0.781	31%	0.308	S	S	*	.	S	Bend	trans	64.6	30.9	172.4	-152.9	24.1	0	0	0	115.5
64	L	84.5	Confident	91	Very high	19 Å²	19	61.2 Å²	61.2	10%	0.099	32%	0.315	C	S	.	.			trans	-86.7	124.4	174	-58.7	176.4	0	0	0	110.5	P40 L50 M60 P61 R62 L88	P40-L64 HydrophobicContact CG-CD2 3.78Å; L50-L64 HydrophobicContact CD2-CD1 3.44Å; L50-L64 VanDerWaalsContact CD2-CD1 3.44Å; L50-L64 HydrophobicContact CD2-CD2 3.54Å; L50-L64 HydrophobicContact CD2-CG 4.11Å; M60-L64 HydrophobicContact CE-CD1 3.92Å; M60-L64 HydrophobicContact SD-CD1 4.41Å; P61-L64 HydrophobicContact CB-CD1 4.01Å; P61-L64 HydrophobicContact CB-CG 4.39Å; P61-L64 HydrophobicContact CG-CD1 4.4Å; P61-L64 WeakPolarHBondContact O-CD1 3.34Å; P61-L64 WeakPolarHBondContact O-CG 3.3Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 3.11Å; L64-L88 HydrophobicContact CB-CD2 3.76Å; L64-L88 WeakPolarHBondContact O-CD2 3.43Å
65	S	85.6	Confident	91.1	Very high	52 Å²	52	57.3 Å²	57.3	36%	0.364	29%	0.287	S	S	.	.			trans	-139.7	149.2	174.4	64.6	0	0	0	0	111.1	M67	S65-M67 VanDerWaalsContact C-N 3.25Å; S65-M67 VanDerWaalsContact O-CE 3.31Å; S65-M67 WeakPolarHBondContact O-CE 3.21Å; S65-M67 PolarHBondContact O-N 2.03Å
66	G	86.3	Confident	91.3	Very high	29 Å²	29	56.1 Å²	56.1	30%	0.299	28%	0.283	S	S	.	.	S	Bend	trans	73.2	5	173.7	0	0	0	0	0	116.6
67	M	91.2	Very high	91.4	Very high	19 Å²	19	50.7 Å²	50.7	9%	0.094	25%	0.254	C	S	.	.			trans	-69.7	141.5	177.2	-60	-61.6	113.1	0	0	111.7	R48 L50 S65 L88 Q90 L91	R48-M67 CarbonylContact O-C 3.54Å; R48-M67 WeakPolarHBondContact O-CA 3.03Å; L50-M67 HydrophobicContact CB-SD 4.39Å; S65-M67 VanDerWaalsContact C-N 3.25Å; S65-M67 VanDerWaalsContact O-CE 3.31Å; S65-M67 WeakPolarHBondContact O-CE 3.21Å; S65-M67 PolarHBondContact O-N 2.03Å; M67-L88 HydrophobicContact CB-CD2 4.1Å; M67-L88 HydrophobicContact CG-CD2 4.31Å; M67-Q90 CarbonylContact O-C 3.23Å; M67-Q90 VanDerWaalsContact O-C 3.23Å; M67-Q90 WeakPolarHBondContact O-CB 3.19Å; M67-L91 HydrophobicContact CB-CD2 4.46Å; M67-L91 PolarHBondContact O-N 2.64Å
68	M	95.1	Very high	91.6	Very high	63 Å²	63	51.3 Å²	51.3	31%	0.31	26%	0.262	S	S	.	.	S	Bend	trans	-95.9	-21.1	175.1	-72.8	-179	172.3	0	0	112.6	R48 L49 T92	R48-M68 HydrophobicContact CB-CB 4.09Å; R48-M68 HydrophobicContact CB-CG 3.96Å; R48-M68 HydrophobicContact CB-SD 4.3Å; R48-M68 PolarHBondContact O-N 3.35Å; L49-M68 HydrophobicContact CD2-CB 4.16Å; M68-T92 PolarHBondContact O-N 2.84Å; M68-T92 PolarHBondContact O-OG1 2.85Å
69	G	95.9	Very high	91.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.1	-179.8	0	0	0	0	0	111.6	R48 L50 W93	R48-G69 PolarHBondContact O-N 3.41Å; L50-G69 PolarHBondContact N-O 2.85Å; G69-W93 VanDerWaalsContact CA-CZ2 3.41Å
70	L	95.8	Very high	92	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	119.1	179.1	175	59.9	0	0	0	110.1	L50 M60 L72 F85 L88 L91 W93 L94 Y95	L50-L70 HydrophobicContact CB-CD1 4.19Å; L50-L70 HydrophobicContact CD2-CD1 3.79Å; L50-L70 HydrophobicContact CG-CD1 4.02Å; L50-L70 WeakPolarHBondContact O-CA 3.35Å; M60-L70 HydrophobicContact CE-CD2 4.15Å; L70-L72 HydrophobicContact CD1-CD1 4.16Å; L70-L72 HydrophobicContact CD1-CG 3.97Å; L70-L72 HydrophobicContact CD2-CD1 3.9Å; L70-L72 HydrophobicContact CG-CD1 4.05Å; L70-L72 HydrophobicContact CG-CG 4.17Å; L70-F85 HydrophobicContact CD2-CD1 4.49Å; L70-F85 HydrophobicContact CD2-CE1 4.32Å; L70-L88 HydrophobicContact CD2-CD1 3.64Å; L70-L91 HydrophobicContact CB-CD1 4.42Å; L70-L91 HydrophobicContact CB-CD2 3.73Å; L70-W93 PolarHBondContact N-O 3.46Å; L70-W93 WeakPolarHBondContact O-CZ3 3.36Å; L70-L94 HydrophobicContact CB-CD1 4.01Å; L70-L94 HydrophobicContact CD2-CD1 3.82Å; L70-L94 HydrophobicContact CG-CD1 3.94Å; L70-Y95 PolarHBondContact O-N 3.23Å
71	S	96.9	Very high	92.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.9	172	-169.2	0	0	0	0	110.1	L50 C52 E53 R73	L50-S71 PolarHBondContact O-N 2.87Å; C52-S71 PolarHBondContact N-O 2.83Å; E53-S71 WeakPolarHBondContact CG-OG 3.46Å; E53-S71 VanDerWaalsContact OE1-CB 3.3Å; E53-S71 WeakPolarHBondContact OE1-CB 3.24Å; E53-S71 PolarHBondContact OE1-OG 2.03Å; S71-R73 WeakPolarHBondContact OG-CG 3.42Å
72	L	96.1	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.			trans	-125.8	34.6	175	-70.6	163.5	0	0	0	110.2	C52 L57 M60 P61 L70 N75 L77 Y95 L96 N99	C52-L72 HydrophobicContact CB-CD2 3.61Å; C52-L72 WeakPolarHBondContact O-CA 3.47Å; L57-L72 HydrophobicContact CD1-CD2 3.87Å; M60-L72 HydrophobicContact CG-CD1 4.25Å; P61-L72 HydrophobicContact CG-CD2 4.28Å; L70-L72 HydrophobicContact CD1-CD1 4.16Å; L70-L72 HydrophobicContact CD1-CG 3.97Å; L70-L72 HydrophobicContact CD2-CD1 3.9Å; L70-L72 HydrophobicContact CG-CD1 4.05Å; L70-L72 HydrophobicContact CG-CG 4.17Å; L72-N75 PolarHBondContact O-ND2 3.19Å; L72-L77 HydrophobicContact CB-CD1 4.18Å; L72-L77 HydrophobicContact CD1-CD1 4.26Å; L72-Y95 PolarHBondContact N-O 3.31Å; L72-L96 HydrophobicContact CB-CD2 3.99Å; L72-L96 HydrophobicContact CD1-CD2 3.97Å; L72-N99 PolarHBondContact O-ND2 2.95Å
73	R	97.1	Very high	92.8	Very high	69 Å²	69	42.2 Å²	42.2	26%	0.26	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	153	-177.8	-61	-178.9	165.4	170.9	-1.2	112.6	E53 S54 S71 N75 Y95 D97	E53-R73 VanDerWaalsContact CA-O 3.28Å; E53-R73 WeakPolarHBondContact CA-O 3.44Å; E53-R73 HydrophobicContact CG-CB 4.14Å; S54-R73 PolarHBondContact N-O 3.33Å; S54-R73 VanDerWaalsContact N-O 3.11Å; S71-R73 WeakPolarHBondContact OG-CG 3.42Å; R73-N75 VanDerWaalsContact C-N 3.26Å; R73-N75 PolarHBondContact O-N 3.39Å; R73-N75 PolarHBondContact O-ND2 2.86Å; R73-Y95 VanDerWaalsContact CZ-CD2 3.43Å; R73-D97 VanDerWaalsContact CA-O 3.3Å; R73-D97 WeakPolarHBondContact CA-O 3.45Å; R73-D97 VanDerWaalsContact CD-OD1 3.3Å; R73-D97 WeakPolarHBondContact CD-OD1 3.48Å; R73-D97 WeakPolarHBondContact CD-OD2 3.31Å; R73-D97 WeakPolarHBondContact CG-OD1 3.3Å; R73-D97 WeakPolarHBondContact CG-OD2 3.45Å; R73-D97 IonicContact CZ-OD1 3.89Å; R73-D97 IonicContact NE-OD1 3.95Å; R73-D97 PolarHBondContact NE-OD1 2.9Å; R73-D97 IonicContact NE-OD2 2.95Å; R73-D97 PolarHBondContact NE-OD2 3.43Å; R73-D97 IonicContact NH2-OD1 2.68Å
74	Y	97.1	Very high	93.4	Very high	125 Å²	125	37.5 Å²	37.5	49%	0.49	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	40.6	174	-59.7	-82.8	0	0	0	112.8	S54 D97 H98	S54-Y74 VanDerWaalsContact CA-O 3.24Å; S54-Y74 WeakPolarHBondContact CA-O 3.05Å; S54-Y74 PolarHBondContact N-O 3.23Å; Y74-D97 PolarHBondContact N-O 3.45Å; Y74-D97 VanDerWaalsContact N-O 3.17Å; Y74-H98 WeakPolarHBondContact CA-O 3.16Å; Y74-H98 HydrophobicContact CD1-CB 3.5Å; Y74-H98 VanDerWaalsContact CD1-CB 3.5Å; Y74-H98 AromaticContact CD1-CG 3.83Å; Y74-H98 HydrophobicContact CD2-CB 4.46Å; Y74-H98 HydrophobicContact CE1-CB 3.66Å; Y74-H98 AromaticContact CE1-CD2 3.61Å; Y74-H98 AromaticContact CE1-CG 3.41Å; Y74-H98 VanDerWaalsContact CE1-CG 3.41Å; Y74-H98 AromaticContact CE1-ND1 3.85Å; Y74-H98 HydrophobicContact CG-CB 3.94Å; Y74-H98 AromaticContact CZ-CE1 3.97Å; Y74-H98 AromaticContact CZ-CG 3.7Å; Y74-H98 AromaticContact CZ-ND1 3.62Å; Y74-H98 PolarHBondContact N-O 2.83Å
75	N	96.6	Very high	93.8	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.027	20%	0.198	C	C	.	.	S	Bend	trans	-112.2	-168.5	174.8	-74.1	-55.1	0	0	0	110.3	C52 L55 N56 L57 L72 R73 L77 H98 N99	C52-N75 PolarHBondContact O-ND2 3.18Å; L55-N75 PolarHBondContact N-OD1 3.07Å; N56-N75 PolarHBondContact N-OD1 3.2Å; N56-N75 VanDerWaalsContact N-OD1 3.16Å; L57-N75 HydrophobicContact CB-CB 4.12Å; L57-N75 PolarHBondContact N-OD1 3.04Å; L72-N75 PolarHBondContact O-ND2 3.19Å; R73-N75 VanDerWaalsContact C-N 3.26Å; R73-N75 PolarHBondContact O-N 3.39Å; R73-N75 PolarHBondContact O-ND2 2.86Å; N75-L77 HydrophobicContact CB-CG 4.48Å; N75-H98 PolarHBondContact N-O 3.39Å; N75-N99 WeakPolarHBondContact CA-OD1 3.49Å; N75-N99 WeakPolarHBondContact CB-OD1 3.22Å; N75-N99 PolarHBondContact N-OD1 3.39Å; N75-N99 PolarHBondContact O-OD1 2.94Å
76	S	97.3	Very high	93.8	Very high	29 Å²	29	35.4 Å²	35.4	20%	0.203	19%	0.19	C	C	.	.			trans	-118.7	34.5	-177.2	-69	0	0	0	0	112.2	N56 L57 S78 N99	N56-S76 WeakPolarHBondContact OD1-CB 3.37Å; N56-S76 PolarHBondContact OD1-OG 3.01Å; L57-S76 CarbonylContact O-C 3.2Å; L57-S76 WeakPolarHBondContact O-CA 3.27Å; L57-S76 PolarHBondContact O-N 2.83Å; S76-S78 PolarHBondContact O-N 3.38Å; S76-N99 PolarHBondContact N-OD1 2.77Å
77	L	96.3	Very high	93.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	20%	0.198	C	C	.	.			trans	-66.4	131.5	175.6	-58.4	176.6	0	0	0	109.9	L57 T58 L72 N75 L96 N99 H100 I101	L57-L77 PolarHBondContact O-N 3.16Å; T58-L77 WeakPolarHBondContact O-CD2 3.28Å; L72-L77 HydrophobicContact CB-CD1 4.18Å; L72-L77 HydrophobicContact CD1-CD1 4.26Å; N75-L77 HydrophobicContact CB-CG 4.48Å; L77-L96 HydrophobicContact CD1-CD2 4.01Å; L77-N99 HydrophobicContact CB-CB 4.23Å; L77-N99 WeakPolarHBondContact CB-OD1 3.4Å; L77-N99 WeakPolarHBondContact CG-OD1 3.36Å; L77-N99 PolarHBondContact N-OD1 2.89Å; L77-N99 VanDerWaalsContact N-OD1 3.08Å; L77-H100 CarbonylContact O-C 3.52Å; L77-H100 VanDerWaalsContact O-CA 3.26Å; L77-H100 WeakPolarHBondContact O-CA 3.49Å; L77-H100 PolarHBondContact O-N 2.86Å; L77-I101 HydrophobicContact CB-CG1 4.11Å; L77-I101 WeakPolarHBondContact O-CG1 3.27Å; L77-I101 PolarHBondContact O-N 3.42Å
78	S	96.3	Very high	93.9	Very high	58 Å²	58	35.3 Å²	35.3	41%	0.406	19%	0.194	S	C	.	.			trans	-107	-32.8	-177.6	54.4	0	0	0	0	113.9	S76 I101 C102	S76-S78 PolarHBondContact O-N 3.38Å; S78-I101 CarbonylContact O-C 3.46Å; S78-I101 VanDerWaalsContact O-CA 3.24Å; S78-I101 WeakPolarHBondContact O-CA 3.5Å; S78-C102 PolarHBondContact O-N 3.24Å; S78-C102 PolarHBondContact O-SG 3.49Å; S78-C102 VanDerWaalsContact O-SG 3.35Å
79	E	96	Very high	93.8	Very high	86 Å²	86	36.6 Å²	36.6	40%	0.402	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.9	-173.6	-61.9	-176.6	179.6	0	0	110.6	H81	E79-H81 IonicContact OE2-CE1 3.65Å; E79-H81 PolarHBondContact OE2-CE1 3.07Å; E79-H81 VanDerWaalsContact OE2-CE1 3.22Å; E79-H81 IonicContact OE2-NE2 3.35Å
80	L	95.9	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.5	171.4	-60.1	-177.6	0	0	0	109.4	F85 L96 I101 S103 V104 E105 A108 F109 L120	L80-F85 HydrophobicContact CD1-CE2 4.49Å; L80-F85 HydrophobicContact CD2-CE2 4.22Å; L80-F85 HydrophobicContact CD2-CZ 4.05Å; L80-L96 HydrophobicContact CD1-CD1 3.89Å; L80-L96 HydrophobicContact CD2-CD1 4.33Å; L80-I101 HydrophobicContact CD1-CD1 4.25Å; L80-I101 HydrophobicContact CD1-CG2 4.45Å; L80-I101 HydrophobicContact CD2-CD1 4.15Å; L80-I101 HydrophobicContact CG-CD1 4.19Å; L80-I101 HydrophobicContact CG-CG2 4.09Å; L80-S103 PolarHBondContact N-O 3.43Å; L80-S103 VanDerWaalsContact N-O 3.09Å; L80-V104 HydrophobicContact CB-CG1 4.36Å; L80-V104 HydrophobicContact CD1-CG1 4.26Å; L80-V104 HydrophobicContact CD1-CG2 4.07Å; L80-E105 WeakPolarHBondContact O-CB 3.3Å; L80-E105 PolarHBondContact O-N 3.09Å; L80-A108 HydrophobicContact CB-CB 3.96Å; L80-F109 HydrophobicContact CD1-CE1 4.07Å; L80-F109 HydrophobicContact CD1-CZ 3.69Å; L80-L120 HydrophobicContact CD1-CD2 4.04Å
81	H	94.6	Very high	93.8	Very high	82 Å²	82	39.9 Å²	39.9	38%	0.38	22%	0.215	S	C	.	.			trans	-90.5	157.7	-176.2	-58.6	-65	0	0	0	113	E79 G83 Q84 E105 A108	E79-H81 IonicContact OE2-CE1 3.65Å; E79-H81 PolarHBondContact OE2-CE1 3.07Å; E79-H81 VanDerWaalsContact OE2-CE1 3.22Å; E79-H81 IonicContact OE2-NE2 3.35Å; H81-G83 PolarHBondContact O-N 3.11Å; H81-Q84 WeakPolarHBondContact O-CB 3.36Å; H81-Q84 PolarHBondContact O-N 2.98Å; H81-E105 WeakPolarHBondContact CA-OE2 3.46Å; H81-E105 IonicContact CE1-OE1 2.83Å; H81-E105 IonicContact CG-OE1 3.5Å; H81-E105 IonicContact ND1-OE1 3.49Å; H81-E105 PolarHBondContact ND1-OE1 3.44Å; H81-A108 WeakPolarHBondContact O-CA 3.28Å
82	D	93.1	Very high	93.8	Very high	76 Å²	76	41.3 Å²	41.3	41%	0.406	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.8	176.2	-87.6	2.3	0	0	0	112.1	Q84 E105 N107 A108	D82-Q84 PolarHBondContact O-N 3.5Å; D82-Q84 VanDerWaalsContact O-N 3.16Å; D82-E105 WeakPolarHBondContact CB-OE2 3.09Å; D82-E105 PolarHBondContact N-OE2 3.01Å; D82-E105 WeakPolarHBondContact OD1-CB 3.04Å; D82-N107 HydrophobicContact CB-CB 4.35Å; D82-N107 VanDerWaalsContact OD1-C 3.29Å; D82-N107 VanDerWaalsContact OD1-CA 3.22Å; D82-N107 WeakPolarHBondContact OD1-CA 3.07Å; D82-N107 VanDerWaalsContact OD1-CB 3.31Å; D82-N107 WeakPolarHBondContact OD1-CB 3.29Å; D82-N107 PolarHBondContact OD1-N 3.49Å; D82-N107 PolarHBondContact OD2-ND2 3.03Å; D82-A108 PolarHBondContact OD1-N 3.18Å
83	G	85.2	Confident	93.9	Very high	26 Å²	26	43 Å²	43	27%	0.268	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	6.3	177.1	0	0	0	0	0	115.6	H81 F85 A86 N107	H81-G83 PolarHBondContact O-N 3.11Å; G83-F85 PolarHBondContact O-N 2.75Å; G83-F85 VanDerWaalsContact O-N 3.08Å; G83-A86 WeakPolarHBondContact O-CB 3.48Å; G83-A86 PolarHBondContact O-N 2.96Å; G83-N107 PolarHBondContact N-O 3.41Å
84	Q	89.4	Confident	93.9	Very high	47 Å²	47	39.7 Å²	39.7	22%	0.22	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.7	179.4	-176.2	171.2	-30.2	0	0	113.1	M60 H81 D82	M60-Q84 HydrophobicContact CB-CG 4.32Å; H81-Q84 WeakPolarHBondContact O-CB 3.36Å; H81-Q84 PolarHBondContact O-N 2.98Å; D82-Q84 PolarHBondContact O-N 3.5Å; D82-Q84 VanDerWaalsContact O-N 3.16Å
85	F	91.3	Very high	94	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.5	177.3	-54.6	-76.7	0	0	0	114.4	M60 L70 L80 G83 G87 L88 L94 L96 A108 F109 L112	M60-F85 HydrophobicContact CE-CD1 4.16Å; L70-F85 HydrophobicContact CD2-CD1 4.49Å; L70-F85 HydrophobicContact CD2-CE1 4.32Å; L80-F85 HydrophobicContact CD1-CE2 4.49Å; L80-F85 HydrophobicContact CD2-CE2 4.22Å; L80-F85 HydrophobicContact CD2-CZ 4.05Å; G83-F85 PolarHBondContact O-N 2.75Å; G83-F85 VanDerWaalsContact O-N 3.08Å; F85-G87 VanDerWaalsContact C-N 3.25Å; F85-G87 PolarHBondContact O-N 2.88Å; F85-G87 VanDerWaalsContact O-N 3.13Å; F85-L88 HydrophobicContact CD1-CD1 4.28Å; F85-L88 WeakPolarHBondContact O-CB 3.16Å; F85-L88 PolarHBondContact O-N 3.39Å; F85-L94 HydrophobicContact CD1-CD2 4.28Å; F85-L94 HydrophobicContact CE1-CD1 4.1Å; F85-L94 HydrophobicContact CE1-CD2 4.04Å; F85-L94 HydrophobicContact CE2-CD2 4.36Å; F85-L94 HydrophobicContact CZ-CD2 4.09Å; F85-L96 HydrophobicContact CZ-CD1 4.02Å; F85-A108 WeakPolarHBondContact CD2-O 3.37Å; F85-F109 AromaticContact CD2-CD1 3.96Å; F85-F109 HydrophobicContact CD2-CD1 3.96Å; F85-F109 HydrophobicContact CD2-CE1 4.3Å; F85-F109 HydrophobicContact CE2-CD1 4.01Å; F85-F109 AromaticContact CE2-CE1 3.87Å; F85-F109 HydrophobicContact CE2-CE1 3.87Å; F85-L112 HydrophobicContact CB-CD1 3.83Å; F85-L112 HydrophobicContact CB-CD2 3.97Å; F85-L112 HydrophobicContact CB-CG 4.08Å; F85-L112 HydrophobicContact CD2-CD1 4.38Å; F85-L112 HydrophobicContact CG-CD1 4.16Å
86	A	87.1	Confident	94.1	Very high	25 Å²	25	35.3 Å²	35.3	21%	0.207	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.9	-170.8	0	0	0	0	0	114.5	G83 L88 M89 K111	G83-A86 WeakPolarHBondContact O-CB 3.48Å; G83-A86 PolarHBondContact O-N 2.96Å; A86-L88 VanDerWaalsContact C-N 3.28Å; A86-L88 PolarHBondContact O-N 3.12Å; A86-M89 VanDerWaalsContact O-CE 3.31Å; A86-M89 WeakPolarHBondContact O-CE 3.48Å; A86-M89 WeakPolarHBondContact O-CG 3.33Å; A86-K111 HydrophobicContact CB-CD 4.38Å
87	G	86.8	Confident	94.1	Very high	45 Å²	45	34.4 Å²	34.4	46%	0.464	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.8	175.9	0	0	0	0	0	114.6	F85 M89	F85-G87 VanDerWaalsContact C-N 3.25Å; F85-G87 PolarHBondContact O-N 2.88Å; F85-G87 VanDerWaalsContact O-N 3.13Å; G87-M89 PolarHBondContact O-N 2.99Å
88	L	91.9	Very high	94.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	21%	0.208	C	C	.	.			trans	-105.1	40.9	-169.2	-65.9	-176.1	0	0	0	113.3	M60 L64 M67 L70 F85 A86 Q90 L91 L112	M60-L88 HydrophobicContact CE-CD1 3.34Å; M60-L88 HydrophobicContact CE-CG 4.25Å; L64-L88 HydrophobicContact CB-CD2 3.76Å; L64-L88 WeakPolarHBondContact O-CD2 3.43Å; M67-L88 HydrophobicContact CB-CD2 4.1Å; M67-L88 HydrophobicContact CG-CD2 4.31Å; L70-L88 HydrophobicContact CD2-CD1 3.64Å; F85-L88 HydrophobicContact CD1-CD1 4.28Å; F85-L88 WeakPolarHBondContact O-CB 3.16Å; F85-L88 PolarHBondContact O-N 3.39Å; A86-L88 VanDerWaalsContact C-N 3.28Å; A86-L88 PolarHBondContact O-N 3.12Å; L88-Q90 PolarHBondContact O-N 3.47Å; L88-L91 HydrophobicContact CB-CD1 3.54Å; L88-L91 HydrophobicContact CB-CG 3.81Å; L88-L91 HydrophobicContact CD1-CD1 3.79Å; L88-L91 HydrophobicContact CD1-CG 4.47Å; L88-L91 HydrophobicContact CG-CD1 4.28Å; L88-L91 WeakPolarHBondContact O-CB 3.35Å; L88-L91 WeakPolarHBondContact O-CG 3.38Å; L88-L91 PolarHBondContact O-N 3.1Å; L88-L112 HydrophobicContact CB-CD2 4.38Å; L88-L112 WeakPolarHBondContact O-CD2 3.26Å
89	M	93.3	Very high	94.3	Very high	90 Å²	90	35.1 Å²	35.1	44%	0.443	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.2	-174.8	-53	-172.5	-169.8	0	0	114.8	A86 G87 K111	A86-M89 VanDerWaalsContact O-CE 3.31Å; A86-M89 WeakPolarHBondContact O-CE 3.48Å; A86-M89 WeakPolarHBondContact O-CG 3.33Å; G87-M89 PolarHBondContact O-N 2.99Å; M89-K111 HydrophobicContact CE-CD 3.62Å; M89-K111 HydrophobicContact CG-CB 4.29Å
90	Q	95.1	Very high	94.3	Very high	69 Å²	69	35.2 Å²	35.2	32%	0.322	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3	-179.5	-58	-57.7	-29.9	0	0	113.6	M67 L88	M67-Q90 CarbonylContact O-C 3.23Å; M67-Q90 VanDerWaalsContact O-C 3.23Å; M67-Q90 WeakPolarHBondContact O-CB 3.19Å; L88-Q90 PolarHBondContact O-N 3.47Å
91	L	96.4	Very high	94.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.			trans	-59	138.6	-178.5	-80.1	175.5	0	0	0	112.2	M67 L70 L88 L112 R114 V115	M67-L91 HydrophobicContact CB-CD2 4.46Å; M67-L91 PolarHBondContact O-N 2.64Å; L70-L91 HydrophobicContact CB-CD1 4.42Å; L70-L91 HydrophobicContact CB-CD2 3.73Å; L88-L91 HydrophobicContact CB-CD1 3.54Å; L88-L91 HydrophobicContact CB-CG 3.81Å; L88-L91 HydrophobicContact CD1-CD1 3.79Å; L88-L91 HydrophobicContact CD1-CG 4.47Å; L88-L91 HydrophobicContact CG-CD1 4.28Å; L88-L91 WeakPolarHBondContact O-CB 3.35Å; L88-L91 WeakPolarHBondContact O-CG 3.38Å; L88-L91 PolarHBondContact O-N 3.1Å; L91-L112 HydrophobicContact CB-CD2 4.39Å; L91-L112 HydrophobicContact CD1-CD2 4.01Å; L91-R114 CarbonylContact O-C 3.06Å; L91-R114 WeakPolarHBondContact O-CB 3.38Å; L91-V115 HydrophobicContact CB-CG2 3.8Å; L91-V115 WeakPolarHBondContact O-CG2 3.42Å; L91-V115 PolarHBondContact O-N 2.56Å; L91-V115 VanDerWaalsContact O-N 3.12Å
92	T	97.5	Very high	94.6	Very high	31 Å²	31	33.8 Å²	33.8	19%	0.19	19%	0.19	C	C	.	.	S	Bend	trans	-115.2	-29	176.6	62.4	0	0	0	0	111.8	M68 K116 E117	M68-T92 PolarHBondContact O-N 2.84Å; M68-T92 PolarHBondContact O-OG1 2.85Å; T92-K116 PolarHBondContact O-N 3.45Å; T92-E117 PolarHBondContact O-N 2.69Å
93	W	98.1	Very high	94.7	Very high	35 Å²	35	32.8 Å²	32.8	13%	0.133	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.8	173.1	53.2	-98.1	0	0	0	110	L49 Y51 G69 L70 Y95 E117	L49-W93 HydrophobicContact CB-CZ2 4.14Å; L49-W93 HydrophobicContact CD1-CZ2 4.34Å; L49-W93 HydrophobicContact CD2-CZ2 3.8Å; L49-W93 HydrophobicContact CG-CZ2 4.3Å; Y51-W93 HydrophobicContact CD1-CH2 4.37Å; Y51-W93 AromaticContact CE1-CH2 3.73Å; Y51-W93 HydrophobicContact CE1-CH2 3.73Å; Y51-W93 HydrophobicContact CE1-CZ2 4.34Å; Y51-W93 AromaticContact CZ-CH2 3.91Å; G69-W93 VanDerWaalsContact CA-CZ2 3.41Å; L70-W93 PolarHBondContact N-O 3.46Å; L70-W93 WeakPolarHBondContact O-CZ3 3.36Å; W93-Y95 HydrophobicContact CB-CE1 4.12Å; W93-Y95 HydrophobicContact CD2-CE2 4.24Å; W93-Y95 HydrophobicContact CE3-CD1 4.18Å; W93-Y95 AromaticContact CE3-CD2 3.63Å; W93-Y95 HydrophobicContact CE3-CD2 3.63Å; W93-Y95 HydrophobicContact CE3-CE1 4.25Å; W93-Y95 AromaticContact CE3-CE2 3.65Å; W93-Y95 HydrophobicContact CE3-CE2 3.65Å; W93-Y95 AromaticContact CE3-CG 3.94Å; W93-Y95 HydrophobicContact CE3-CG 3.94Å; W93-Y95 AromaticContact CZ3-CD2 3.64Å; W93-Y95 HydrophobicContact CZ3-CD2 3.64Å; W93-Y95 AromaticContact CZ3-CE2 3.89Å; W93-Y95 HydrophobicContact CZ3-CE2 3.89Å; W93-Y95 HydrophobicContact CZ3-CG 4.21Å; W93-E117 CarbonylContact C-O 3.55Å; W93-E117 VanDerWaalsContact CA-O 3.28Å; W93-E117 WeakPolarHBondContact CA-O 3.31Å; W93-E117 HydrophobicContact CB-CB 4.04Å
94	L	97.6	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.9	179.7	175.4	58.2	0	0	0	109.3	L70 F85 L96 F109 L112 E117 L118 T119	L70-L94 HydrophobicContact CB-CD1 4.01Å; L70-L94 HydrophobicContact CD2-CD1 3.82Å; L70-L94 HydrophobicContact CG-CD1 3.94Å; F85-L94 HydrophobicContact CD1-CD2 4.28Å; F85-L94 HydrophobicContact CE1-CD1 4.1Å; F85-L94 HydrophobicContact CE1-CD2 4.04Å; F85-L94 HydrophobicContact CE2-CD2 4.36Å; F85-L94 HydrophobicContact CZ-CD2 4.09Å; L94-L96 HydrophobicContact CD1-CD1 4.36Å; L94-L96 HydrophobicContact CD1-CD2 4.28Å; L94-L96 HydrophobicContact CD1-CG 4.11Å; L94-L96 HydrophobicContact CD2-CD1 4Å; L94-L96 HydrophobicContact CG-CD1 4.02Å; L94-L96 HydrophobicContact CG-CG 4.07Å; L94-F109 HydrophobicContact CD2-CD1 4.17Å; L94-F109 HydrophobicContact CD2-CE1 3.96Å; L94-L112 HydrophobicContact CD2-CD1 4.14Å; L94-E117 PolarHBondContact N-O 3.34Å; L94-L118 HydrophobicContact CB-CD1 4.07Å; L94-L118 HydrophobicContact CD2-CD1 3.97Å; L94-L118 HydrophobicContact CG-CD1 4Å; L94-L118 WeakPolarHBondContact O-CA 3.3Å; L94-T119 PolarHBondContact O-N 2.76Å; L94-T119 VanDerWaalsContact O-N 3.13Å
95	Y	98.3	Very high	95.5	Very high	38 Å²	38	33 Å²	33	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115	-177.6	-56.4	-24.6	0	0	0	111.1	L70 L72 R73 W93 E117 T119	L70-Y95 PolarHBondContact O-N 3.23Å; L72-Y95 PolarHBondContact N-O 3.31Å; R73-Y95 VanDerWaalsContact CZ-CD2 3.43Å; W93-Y95 HydrophobicContact CB-CE1 4.12Å; W93-Y95 HydrophobicContact CD2-CE2 4.24Å; W93-Y95 HydrophobicContact CE3-CD1 4.18Å; W93-Y95 AromaticContact CE3-CD2 3.63Å; W93-Y95 HydrophobicContact CE3-CD2 3.63Å; W93-Y95 HydrophobicContact CE3-CE1 4.25Å; W93-Y95 AromaticContact CE3-CE2 3.65Å; W93-Y95 HydrophobicContact CE3-CE2 3.65Å; W93-Y95 AromaticContact CE3-CG 3.94Å; W93-Y95 HydrophobicContact CE3-CG 3.94Å; W93-Y95 AromaticContact CZ3-CD2 3.64Å; W93-Y95 HydrophobicContact CZ3-CD2 3.64Å; W93-Y95 AromaticContact CZ3-CE2 3.89Å; W93-Y95 HydrophobicContact CZ3-CE2 3.89Å; W93-Y95 HydrophobicContact CZ3-CG 4.21Å; Y95-E117 HydrophobicContact CE1-CG 3.9Å; Y95-E117 WeakPolarHBondContact CE1-OE1 3.35Å; Y95-E117 PolarHBondContact OH-OE1 2.93Å; Y95-T119 HydrophobicContact CD1-CG2 3.53Å; Y95-T119 HydrophobicContact CE1-CG2 4.34Å; Y95-T119 HydrophobicContact CG-CG2 3.94Å
96	L	97.8	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.			trans	-126	18.3	-177.8	-63.8	170.1	0	0	0	111.4	L72 L77 L80 F85 L94 N99 I101 F109 T119 L120 N123	L72-L96 HydrophobicContact CB-CD2 3.99Å; L72-L96 HydrophobicContact CD1-CD2 3.97Å; L77-L96 HydrophobicContact CD1-CD2 4.01Å; L80-L96 HydrophobicContact CD1-CD1 3.89Å; L80-L96 HydrophobicContact CD2-CD1 4.33Å; F85-L96 HydrophobicContact CZ-CD1 4.02Å; L94-L96 HydrophobicContact CD1-CD1 4.36Å; L94-L96 HydrophobicContact CD1-CD2 4.28Å; L94-L96 HydrophobicContact CD1-CG 4.11Å; L94-L96 HydrophobicContact CD2-CD1 4Å; L94-L96 HydrophobicContact CG-CD1 4.02Å; L94-L96 HydrophobicContact CG-CG 4.07Å; L96-N99 PolarHBondContact O-ND2 3.29Å; L96-N99 VanDerWaalsContact O-ND2 3.1Å; L96-I101 HydrophobicContact CB-CD1 4.11Å; L96-F109 HydrophobicContact CD1-CE1 4.35Å; L96-T119 WeakPolarHBondContact CB-O 3.21Å; L96-T119 PolarHBondContact N-O 3.2Å; L96-L120 HydrophobicContact CB-CD2 3.87Å; L96-L120 HydrophobicContact CD1-CD2 3.73Å; L96-L120 HydrophobicContact CG-CD2 4.44Å; L96-N123 PolarHBondContact O-ND2 3.41Å
97	D	98	Very high	95.8	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.048	20%	0.199	C	C	.	.			trans	-70	156.8	-178.8	57.6	-85.2	0	0	0	113.3	R73 Y74 N99 T119 S121	R73-D97 VanDerWaalsContact CA-O 3.3Å; R73-D97 WeakPolarHBondContact CA-O 3.45Å; R73-D97 VanDerWaalsContact CD-OD1 3.3Å; R73-D97 WeakPolarHBondContact CD-OD1 3.48Å; R73-D97 WeakPolarHBondContact CD-OD2 3.31Å; R73-D97 WeakPolarHBondContact CG-OD1 3.3Å; R73-D97 WeakPolarHBondContact CG-OD2 3.45Å; R73-D97 IonicContact CZ-OD1 3.89Å; R73-D97 IonicContact NE-OD1 3.95Å; R73-D97 PolarHBondContact NE-OD1 2.9Å; R73-D97 IonicContact NE-OD2 2.95Å; R73-D97 PolarHBondContact NE-OD2 3.43Å; R73-D97 IonicContact NH2-OD1 2.68Å; Y74-D97 PolarHBondContact N-O 3.45Å; Y74-D97 VanDerWaalsContact N-O 3.17Å; D97-N99 PolarHBondContact O-ND2 3.41Å; D97-T119 HydrophobicContact CB-CG2 4.11Å; D97-T119 WeakPolarHBondContact OD1-CG2 3.41Å; D97-S121 CarbonylContact C-O 3.57Å; D97-S121 WeakPolarHBondContact CA-O 3.47Å; D97-S121 VanDerWaalsContact CB-O 3.29Å; D97-S121 WeakPolarHBondContact CB-O 3.29Å
98	H	98.3	Very high	96.2	Very high	69 Å²	69	33.6 Å²	33.6	32%	0.319	18%	0.176	S	C	.	.	S	Bend	trans	56.2	51.5	-178.2	-57.8	86.5	0	0	0	112.3	Y74 N75 S121 S122	Y74-H98 WeakPolarHBondContact CA-O 3.16Å; Y74-H98 HydrophobicContact CD1-CB 3.5Å; Y74-H98 VanDerWaalsContact CD1-CB 3.5Å; Y74-H98 AromaticContact CD1-CG 3.83Å; Y74-H98 HydrophobicContact CD2-CB 4.46Å; Y74-H98 HydrophobicContact CE1-CB 3.66Å; Y74-H98 AromaticContact CE1-CD2 3.61Å; Y74-H98 AromaticContact CE1-CG 3.41Å; Y74-H98 VanDerWaalsContact CE1-CG 3.41Å; Y74-H98 AromaticContact CE1-ND1 3.85Å; Y74-H98 HydrophobicContact CG-CB 3.94Å; Y74-H98 AromaticContact CZ-CE1 3.97Å; Y74-H98 AromaticContact CZ-CG 3.7Å; Y74-H98 AromaticContact CZ-ND1 3.62Å; Y74-H98 PolarHBondContact N-O 2.83Å; N75-H98 PolarHBondContact N-O 3.39Å; H98-S121 PolarHBondContact N-O 3.12Å; H98-S122 VanDerWaalsContact CA-O 3.27Å; H98-S122 WeakPolarHBondContact CA-O 3.39Å; H98-S122 VanDerWaalsContact CD2-CB 3.5Å; H98-S122 WeakPolarHBondContact CD2-CB 3.3Å; H98-S122 PolarHBondContact N-O 3.11Å; H98-S122 PolarHBondContact NE2-OG 3.17Å
99	N	97.9	Very high	96.3	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.037	18%	0.176	C	C	.	.	S	Bend	trans	-120.2	-170	172.1	-83.7	-86.4	0	0	0	109.7	L72 N75 S76 L77 L96 D97 I101 S122 N123	L72-N99 PolarHBondContact O-ND2 2.95Å; N75-N99 WeakPolarHBondContact CA-OD1 3.49Å; N75-N99 WeakPolarHBondContact CB-OD1 3.22Å; N75-N99 PolarHBondContact N-OD1 3.39Å; N75-N99 PolarHBondContact O-OD1 2.94Å; S76-N99 PolarHBondContact N-OD1 2.77Å; L77-N99 HydrophobicContact CB-CB 4.23Å; L77-N99 WeakPolarHBondContact CB-OD1 3.4Å; L77-N99 WeakPolarHBondContact CG-OD1 3.36Å; L77-N99 PolarHBondContact N-OD1 2.89Å; L77-N99 VanDerWaalsContact N-OD1 3.08Å; L96-N99 PolarHBondContact O-ND2 3.29Å; L96-N99 VanDerWaalsContact O-ND2 3.1Å; D97-N99 PolarHBondContact O-ND2 3.41Å; N99-I101 HydrophobicContact CB-CD1 4.16Å; N99-I101 HydrophobicContact CB-CG1 3.98Å; N99-S122 PolarHBondContact N-O 3.4Å; N99-N123 VanDerWaalsContact CA-OD1 3.29Å; N99-N123 WeakPolarHBondContact CA-OD1 3.46Å; N99-N123 WeakPolarHBondContact CB-OD1 3.24Å; N99-N123 PolarHBondContact N-OD1 3.19Å; N99-N123 PolarHBondContact O-OD1 3.28Å
100	H	97.7	Very high	96.3	Very high	87 Å²	87	33.3 Å²	33.3	40%	0.403	17%	0.174	S	C	.	.			trans	-110.3	26.1	177.8	-60.5	108.8	0	0	0	112.2	L77 C102 N123	L77-H100 CarbonylContact O-C 3.52Å; L77-H100 VanDerWaalsContact O-CA 3.26Å; L77-H100 WeakPolarHBondContact O-CA 3.49Å; L77-H100 PolarHBondContact O-N 2.86Å; H100-C102 PolarHBondContact O-N 3.28Å; H100-C102 VanDerWaalsContact O-N 3.14Å; H100-N123 PolarHBondContact N-OD1 3.02Å
101	I	97.9	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.			trans	-65.6	116.5	-170.7	-58.5	167	0	0	0	109.2	L77 S78 L80 L96 N99 V104 L120 N123 K124 I125	L77-I101 HydrophobicContact CB-CG1 4.11Å; L77-I101 WeakPolarHBondContact O-CG1 3.27Å; L77-I101 PolarHBondContact O-N 3.42Å; S78-I101 CarbonylContact O-C 3.46Å; S78-I101 VanDerWaalsContact O-CA 3.24Å; S78-I101 WeakPolarHBondContact O-CA 3.5Å; L80-I101 HydrophobicContact CD1-CD1 4.25Å; L80-I101 HydrophobicContact CD1-CG2 4.45Å; L80-I101 HydrophobicContact CD2-CD1 4.15Å; L80-I101 HydrophobicContact CG-CD1 4.19Å; L80-I101 HydrophobicContact CG-CG2 4.09Å; L96-I101 HydrophobicContact CB-CD1 4.11Å; N99-I101 HydrophobicContact CB-CD1 4.16Å; N99-I101 HydrophobicContact CB-CG1 3.98Å; I101-V104 HydrophobicContact CG2-CG2 3.99Å; I101-L120 HydrophobicContact CD1-CD2 4.2Å; I101-N123 HydrophobicContact CB-CB 4.22Å; I101-N123 VanDerWaalsContact CB-OD1 3.28Å; I101-N123 WeakPolarHBondContact CB-OD1 3.18Å; I101-N123 WeakPolarHBondContact CG1-OD1 3.05Å; I101-N123 PolarHBondContact N-OD1 3.35Å; I101-K124 CarbonylContact O-C 3.56Å; I101-K124 VanDerWaalsContact O-CA 3.3Å; I101-K124 WeakPolarHBondContact O-CA 3.29Å; I101-K124 PolarHBondContact O-N 3.23Å; I101-I125 HydrophobicContact CB-CG1 4.43Å; I101-I125 HydrophobicContact CG2-CD1 4.4Å; I101-I125 HydrophobicContact CG2-CG1 4.12Å; I101-I125 WeakPolarHBondContact O-CG1 3.49Å; I101-I125 PolarHBondContact O-N 3.49Å; I101-I125 VanDerWaalsContact O-N 3.07Å
102	C	96.9	Very high	96.1	Very high	53 Å²	53	34.8 Å²	34.8	36%	0.358	18%	0.179	S	C	.	.			trans	-105.9	-27.8	178.4	60.9	0	0	0	0	112.9	S78 H100 K124	S78-C102 PolarHBondContact O-N 3.24Å; S78-C102 PolarHBondContact O-SG 3.49Å; S78-C102 VanDerWaalsContact O-SG 3.35Å; H100-C102 PolarHBondContact O-N 3.28Å; H100-C102 VanDerWaalsContact O-N 3.14Å; C102-K124 HydrophobicContact CB-CB 4.33Å
103	S	95.8	Very high	95.9	Very high	54 Å²	54	42.1 Å²	42.1	38%	0.378	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.3	-177.8	-173.1	0	0	0	0	111.5	L80	L80-S103 PolarHBondContact N-O 3.43Å; L80-S103 VanDerWaalsContact N-O 3.09Å
104	V	96.9	Very high	95.9	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110.7	174.1	-177.5	0	0	0	0	108.1	L80 I101 A108 F109 I125 L128 T132	L80-V104 HydrophobicContact CB-CG1 4.36Å; L80-V104 HydrophobicContact CD1-CG1 4.26Å; L80-V104 HydrophobicContact CD1-CG2 4.07Å; I101-V104 HydrophobicContact CG2-CG2 3.99Å; V104-A108 HydrophobicContact CG1-CB 4.05Å; V104-F109 HydrophobicContact CG1-CE2 3.73Å; V104-F109 HydrophobicContact CG1-CZ 4.23Å; V104-I125 HydrophobicContact CG2-CD1 4.06Å; V104-I125 HydrophobicContact CG2-CG1 4.37Å; V104-L128 HydrophobicContact CB-CD2 3.89Å; V104-L128 HydrophobicContact CG1-CD2 4.32Å; V104-L128 HydrophobicContact CG2-CD2 3.94Å; V104-T132 HydrophobicContact CG1-CG2 4.19Å
105	E	95.3	Very high	95.9	Very high	70 Å²	70	46.2 Å²	46.2	33%	0.327	22%	0.219	S	C	.	.			trans	-68.7	152.9	178.8	-65.9	178.6	-165.4	0	0	111.7	L80 H81 D82 N107 A108	L80-E105 WeakPolarHBondContact O-CB 3.3Å; L80-E105 PolarHBondContact O-N 3.09Å; H81-E105 WeakPolarHBondContact CA-OE2 3.46Å; H81-E105 IonicContact CE1-OE1 2.83Å; H81-E105 IonicContact CG-OE1 3.5Å; H81-E105 IonicContact ND1-OE1 3.49Å; H81-E105 PolarHBondContact ND1-OE1 3.44Å; D82-E105 WeakPolarHBondContact CB-OE2 3.09Å; D82-E105 PolarHBondContact N-OE2 3.01Å; D82-E105 WeakPolarHBondContact OD1-CB 3.04Å; E105-N107 PolarHBondContact O-N 3Å; E105-N107 VanDerWaalsContact O-N 3.11Å; E105-A108 VanDerWaalsContact O-CB 3.31Å; E105-A108 WeakPolarHBondContact O-CB 3.48Å; E105-A108 PolarHBondContact O-N 3.49Å
106	G	91.5	Very high	95.9	Very high	18 Å²	18	48.7 Å²	48.7	19%	0.186	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.6	-168.6	0	0	0	0	0	115.2	T131	G106-T131 VanDerWaalsContact C-OG1 3.32Å; G106-T131 WeakPolarHBondContact CA-OG1 3.44Å; G106-T131 CarbonylContact O-C 3.47Å; G106-T131 WeakPolarHBondContact O-CB 3.45Å; G106-T131 PolarHBondContact O-OG1 3.25Å
107	N	92.8	Very high	96	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.353	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	21.5	177	-50	-66.7	0	0	0	112.3	D82 G83 E105 F109 Q110	D82-N107 HydrophobicContact CB-CB 4.35Å; D82-N107 VanDerWaalsContact OD1-C 3.29Å; D82-N107 VanDerWaalsContact OD1-CA 3.22Å; D82-N107 WeakPolarHBondContact OD1-CA 3.07Å; D82-N107 VanDerWaalsContact OD1-CB 3.31Å; D82-N107 WeakPolarHBondContact OD1-CB 3.29Å; D82-N107 PolarHBondContact OD1-N 3.49Å; D82-N107 PolarHBondContact OD2-ND2 3.03Å; G83-N107 PolarHBondContact N-O 3.41Å; E105-N107 PolarHBondContact O-N 3Å; E105-N107 VanDerWaalsContact O-N 3.11Å; N107-F109 PolarHBondContact O-N 3.08Å; N107-Q110 HydrophobicContact CB-CB 4.38Å; N107-Q110 VanDerWaalsContact O-CB 3.31Å; N107-Q110 WeakPolarHBondContact O-CB 3.32Å; N107-Q110 PolarHBondContact O-N 2.89Å; N107-Q110 VanDerWaalsContact O-N 3.09Å
108	A	94.7	Very high	96	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-45.6	177.5	0	0	0	0	0	111.7	L80 H81 D82 F85 V104 E105 Q110	L80-A108 HydrophobicContact CB-CB 3.96Å; H81-A108 WeakPolarHBondContact O-CA 3.28Å; D82-A108 PolarHBondContact OD1-N 3.18Å; F85-A108 WeakPolarHBondContact CD2-O 3.37Å; V104-A108 HydrophobicContact CG1-CB 4.05Å; E105-A108 VanDerWaalsContact O-CB 3.31Å; E105-A108 WeakPolarHBondContact O-CB 3.48Å; E105-A108 PolarHBondContact O-N 3.49Å; A108-Q110 VanDerWaalsContact C-N 3.3Å; A108-Q110 PolarHBondContact O-N 3.27Å
109	F	95.5	Very high	96	Very high	1 Å²	1	49 Å²	49	0%	0.004	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	21.7	-178.2	-55.3	-63.1	0	0	0	114.6	L80 F85 L94 L96 V104 N107 K111 L112 L118 L120 T132 P135 M136	L80-F109 HydrophobicContact CD1-CE1 4.07Å; L80-F109 HydrophobicContact CD1-CZ 3.69Å; F85-F109 AromaticContact CD2-CD1 3.96Å; F85-F109 HydrophobicContact CD2-CD1 3.96Å; F85-F109 HydrophobicContact CD2-CE1 4.3Å; F85-F109 HydrophobicContact CE2-CD1 4.01Å; F85-F109 AromaticContact CE2-CE1 3.87Å; F85-F109 HydrophobicContact CE2-CE1 3.87Å; L94-F109 HydrophobicContact CD2-CD1 4.17Å; L94-F109 HydrophobicContact CD2-CE1 3.96Å; L96-F109 HydrophobicContact CD1-CE1 4.35Å; V104-F109 HydrophobicContact CG1-CE2 3.73Å; V104-F109 HydrophobicContact CG1-CZ 4.23Å; N107-F109 PolarHBondContact O-N 3.08Å; F109-K111 PolarHBondContact O-N 3.42Å; F109-L112 HydrophobicContact CB-CD1 4.05Å; F109-L112 HydrophobicContact CD1-CD1 3.9Å; F109-L112 HydrophobicContact CG-CD1 4.47Å; F109-L112 WeakPolarHBondContact O-CB 3.24Å; F109-L112 PolarHBondContact O-N 3.49Å; F109-L118 HydrophobicContact CE1-CD1 4.25Å; F109-L118 HydrophobicContact CE2-CD2 4.42Å; F109-L118 HydrophobicContact CZ-CD1 4.47Å; F109-L118 HydrophobicContact CZ-CD2 4.26Å; F109-L120 HydrophobicContact CE2-CD1 4.46Å; F109-L120 HydrophobicContact CZ-CD1 4.07Å; F109-L120 HydrophobicContact CZ-CD2 4.44Å; F109-T132 HydrophobicContact CD2-CG2 3.71Å; F109-T132 WeakPolarHBondContact CD2-O 3.36Å; F109-T132 HydrophobicContact CE2-CG2 3.57Å; F109-P135 VanDerWaalsContact O-CB 3.22Å; F109-P135 WeakPolarHBondContact O-CB 3.32Å; F109-M136 HydrophobicContact CB-CE 3.53Å; F109-M136 HydrophobicContact CB-CG 4.42Å; F109-M136 HydrophobicContact CB-SD 3.95Å; F109-M136 HydrophobicContact CD1-CE 4.25Å; F109-M136 HydrophobicContact CD1-SD 4.49Å; F109-M136 HydrophobicContact CD2-CE 3.69Å; F109-M136 HydrophobicContact CE2-CE 4.46Å; F109-M136 HydrophobicContact CG-CE 3.55Å; F109-M136 HydrophobicContact CG-SD 4.2Å
110	Q	93.1	Very high	96	Very high	84 Å²	84	48.7 Å²	48.7	39%	0.393	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	141.9	-178.2	-154.7	-172.4	41.4	0	0	111.6	N107 A108 L112	N107-Q110 HydrophobicContact CB-CB 4.38Å; N107-Q110 VanDerWaalsContact O-CB 3.31Å; N107-Q110 WeakPolarHBondContact O-CB 3.32Å; N107-Q110 PolarHBondContact O-N 2.89Å; N107-Q110 VanDerWaalsContact O-N 3.09Å; A108-Q110 VanDerWaalsContact C-N 3.3Å; A108-Q110 PolarHBondContact O-N 3.27Å; Q110-L112 PolarHBondContact O-N 2.88Å
111	K	90.9	Very high	96	Very high	100 Å²	100	45 Å²	45	44%	0.435	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	2.2	178.2	-48.4	-176.5	-175.8	171.9	0	116.1	A86 M89 F109 R113	A86-K111 HydrophobicContact CB-CD 4.38Å; M89-K111 HydrophobicContact CE-CD 3.62Å; M89-K111 HydrophobicContact CG-CB 4.29Å; F109-K111 PolarHBondContact O-N 3.42Å; K111-R113 PolarHBondContact O-N 3.31Å
112	L	95.1	Very high	96.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.226	C	C	.	.			trans	-77.6	45.6	177.8	-65	-171.2	0	0	0	114.8	F85 L88 L91 L94 F109 Q110 R114 V115 M136	F85-L112 HydrophobicContact CB-CD1 3.83Å; F85-L112 HydrophobicContact CB-CD2 3.97Å; F85-L112 HydrophobicContact CB-CG 4.08Å; F85-L112 HydrophobicContact CD2-CD1 4.38Å; F85-L112 HydrophobicContact CG-CD1 4.16Å; L88-L112 HydrophobicContact CB-CD2 4.38Å; L88-L112 WeakPolarHBondContact O-CD2 3.26Å; L91-L112 HydrophobicContact CB-CD2 4.39Å; L91-L112 HydrophobicContact CD1-CD2 4.01Å; L94-L112 HydrophobicContact CD2-CD1 4.14Å; F109-L112 HydrophobicContact CB-CD1 4.05Å; F109-L112 HydrophobicContact CD1-CD1 3.9Å; F109-L112 HydrophobicContact CG-CD1 4.47Å; F109-L112 WeakPolarHBondContact O-CB 3.24Å; F109-L112 PolarHBondContact O-N 3.49Å; Q110-L112 PolarHBondContact O-N 2.88Å; L112-R114 PolarHBondContact O-N 2.84Å; L112-R114 VanDerWaalsContact O-N 3.07Å; L112-V115 HydrophobicContact CB-CG2 3.8Å; L112-V115 HydrophobicContact CD1-CG2 4.29Å; L112-V115 HydrophobicContact CD2-CG2 4.46Å; L112-V115 HydrophobicContact CG-CG2 4.42Å; L112-V115 PolarHBondContact O-N 3.27Å; L112-M136 HydrophobicContact CB-CG 3.79Å; L112-M136 HydrophobicContact CB-SD 4.12Å; L112-M136 HydrophobicContact CD1-SD 4.33Å; L112-M136 WeakPolarHBondContact O-CG 3.38Å
113	R	94.9	Very high	96.1	Very high	184 Å²	184	44.6 Å²	44.6	69%	0.694	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.2	-171.8	-66.2	-175.6	175.8	-174.8	-0.3	114.8	K111 P135 N138	K111-R113 PolarHBondContact O-N 3.31Å; R113-P135 WeakPolarHBondContact CA-O 3.3Å; R113-N138 PolarHBondContact O-ND2 3.47Å
114	R	96.9	Very high	96.2	Very high	121 Å²	121	47.1 Å²	47.1	46%	0.457	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-8.4	-175.3	-69.1	-176.1	64.3	149.8	7.9	113.8	L91 L112 K116	L91-R114 CarbonylContact O-C 3.06Å; L91-R114 WeakPolarHBondContact O-CB 3.38Å; L112-R114 PolarHBondContact O-N 2.84Å; L112-R114 VanDerWaalsContact O-N 3.07Å; R114-K116 PolarHBondContact O-N 2.91Å
115	V	97.9	Very high	96.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.214	C	C	.	.			trans	-65.6	131.8	-178.3	177.7	0	0	0	0	109.8	L91 L112 E117 M136 N138 L139	L91-V115 HydrophobicContact CB-CG2 3.8Å; L91-V115 WeakPolarHBondContact O-CG2 3.42Å; L91-V115 PolarHBondContact O-N 2.56Å; L91-V115 VanDerWaalsContact O-N 3.12Å; L112-V115 HydrophobicContact CB-CG2 3.8Å; L112-V115 HydrophobicContact CD1-CG2 4.29Å; L112-V115 HydrophobicContact CD2-CG2 4.46Å; L112-V115 HydrophobicContact CG-CG2 4.42Å; L112-V115 PolarHBondContact O-N 3.27Å; V115-E117 WeakPolarHBondContact CG1-O 3.26Å; V115-M136 HydrophobicContact CB-CG 4.42Å; V115-M136 HydrophobicContact CB-SD 4.12Å; V115-M136 HydrophobicContact CG1-SD 4.13Å; V115-N138 CarbonylContact O-C 3.6Å; V115-N138 VanDerWaalsContact O-C 3.23Å; V115-L139 HydrophobicContact CG1-CD2 3.91Å; V115-L139 PolarHBondContact O-N 3.27Å
116	K	98.4	Very high	96.4	Very high	91 Å²	91	46.2 Å²	46.2	40%	0.396	22%	0.215	S	C	.	.			trans	-113.7	-26.6	178.5	-63.1	176.6	-174.9	171.7	0	111.3	T92 R114 R140 S141	T92-K116 PolarHBondContact O-N 3.45Å; R114-K116 PolarHBondContact O-N 2.91Å; K116-R140 HydrophobicContact CB-CG 4.27Å; K116-R140 WeakPolarHBondContact O-CA 3.19Å; K116-R140 WeakPolarHBondContact O-CB 3.47Å; K116-R140 PolarHBondContact O-N 3.39Å; K116-S141 PolarHBondContact O-N 2.92Å
117	E	98.6	Very high	96.6	Very high	74 Å²	74	51.4 Å²	51.4	35%	0.346	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	127.3	-176.3	-171.9	174.1	154.5	0	0	109.9	T92 W93 L94 Y95 V115 S141	T92-E117 PolarHBondContact O-N 2.69Å; W93-E117 CarbonylContact C-O 3.55Å; W93-E117 VanDerWaalsContact CA-O 3.28Å; W93-E117 WeakPolarHBondContact CA-O 3.31Å; W93-E117 HydrophobicContact CB-CB 4.04Å; L94-E117 PolarHBondContact N-O 3.34Å; Y95-E117 HydrophobicContact CE1-CG 3.9Å; Y95-E117 WeakPolarHBondContact CE1-OE1 3.35Å; Y95-E117 PolarHBondContact OH-OE1 2.93Å; V115-E117 WeakPolarHBondContact CG1-O 3.26Å; E117-S141 WeakPolarHBondContact CA-O 3.32Å
118	L	98.4	Very high	96.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.3	177.4	174.2	62.9	0	0	0	108.2	L94 F109 L120 F133 M136 L139 S141 V142 D143	L94-L118 HydrophobicContact CB-CD1 4.07Å; L94-L118 HydrophobicContact CD2-CD1 3.97Å; L94-L118 HydrophobicContact CG-CD1 4Å; L94-L118 WeakPolarHBondContact O-CA 3.3Å; F109-L118 HydrophobicContact CE1-CD1 4.25Å; F109-L118 HydrophobicContact CE2-CD2 4.42Å; F109-L118 HydrophobicContact CZ-CD1 4.47Å; F109-L118 HydrophobicContact CZ-CD2 4.26Å; L118-L120 HydrophobicContact CD1-CG 4.27Å; L118-L120 HydrophobicContact CD2-CD1 4.13Å; L118-L120 HydrophobicContact CG-CD1 4.31Å; L118-L120 HydrophobicContact CG-CG 4.36Å; L118-F133 HydrophobicContact CD2-CD1 4.2Å; L118-F133 HydrophobicContact CD2-CE1 3.77Å; L118-M136 HydrophobicContact CD2-CE 3.79Å; L118-M136 HydrophobicContact CD2-SD 4.34Å; L118-L139 HydrophobicContact CB-CD2 3.92Å; L118-S141 PolarHBondContact N-O 3.41Å; L118-V142 WeakPolarHBondContact O-CA 3.49Å; L118-D143 PolarHBondContact O-N 3.46Å
119	T	98.4	Very high	96.9	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.4	167.6	-179.8	0	0	0	0	110.5	L94 Y95 L96 D97 S121	L94-T119 PolarHBondContact O-N 2.76Å; L94-T119 VanDerWaalsContact O-N 3.13Å; Y95-T119 HydrophobicContact CD1-CG2 3.53Å; Y95-T119 HydrophobicContact CE1-CG2 4.34Å; Y95-T119 HydrophobicContact CG-CG2 3.94Å; L96-T119 WeakPolarHBondContact CB-O 3.21Å; L96-T119 PolarHBondContact N-O 3.2Å; D97-T119 HydrophobicContact CB-CG2 4.11Å; D97-T119 WeakPolarHBondContact OD1-CG2 3.41Å; T119-S121 PolarHBondContact OG1-N 3.5Å; T119-S121 PolarHBondContact OG1-OG 3.32Å
120	L	98.2	Very high	96.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.244	C	C	.	.			trans	-124.4	20.6	172.4	-70.5	161.4	0	0	0	109.4	L80 L96 I101 F109 L118 N123 I125 D143 L144 N147	L80-L120 HydrophobicContact CD1-CD2 4.04Å; L96-L120 HydrophobicContact CB-CD2 3.87Å; L96-L120 HydrophobicContact CD1-CD2 3.73Å; L96-L120 HydrophobicContact CG-CD2 4.44Å; I101-L120 HydrophobicContact CD1-CD2 4.2Å; F109-L120 HydrophobicContact CE2-CD1 4.46Å; F109-L120 HydrophobicContact CZ-CD1 4.07Å; F109-L120 HydrophobicContact CZ-CD2 4.44Å; L118-L120 HydrophobicContact CD1-CG 4.27Å; L118-L120 HydrophobicContact CD2-CD1 4.13Å; L118-L120 HydrophobicContact CG-CD1 4.31Å; L118-L120 HydrophobicContact CG-CG 4.36Å; L120-N123 PolarHBondContact O-ND2 3.29Å; L120-I125 HydrophobicContact CB-CD1 3.98Å; L120-I125 HydrophobicContact CD1-CD1 4.32Å; L120-I125 HydrophobicContact CD2-CD1 4.3Å; L120-I125 HydrophobicContact CG-CD1 4.45Å; L120-D143 PolarHBondContact N-O 3.12Å; L120-L144 HydrophobicContact CB-CD2 4.02Å; L120-L144 HydrophobicContact CD1-CD2 3.9Å; L120-N147 PolarHBondContact O-ND2 3.34Å
121	S	98.4	Very high	97	Very high	10 Å²	10	51.1 Å²	51.1	7%	0.07	24%	0.24	C	C	.	.			trans	-68.9	158.4	-176.9	51.1	0	0	0	0	113.3	D97 H98 T119 N123 D143 S145	D97-S121 CarbonylContact C-O 3.57Å; D97-S121 WeakPolarHBondContact CA-O 3.47Å; D97-S121 VanDerWaalsContact CB-O 3.29Å; D97-S121 WeakPolarHBondContact CB-O 3.29Å; H98-S121 PolarHBondContact N-O 3.12Å; T119-S121 PolarHBondContact OG1-N 3.5Å; T119-S121 PolarHBondContact OG1-OG 3.32Å; S121-N123 PolarHBondContact O-N 3.49Å; S121-N123 PolarHBondContact O-ND2 2.91Å; S121-D143 VanDerWaalsContact CB-OD2 3.24Å; S121-D143 WeakPolarHBondContact CB-OD2 3.38Å; S121-D143 PolarHBondContact N-O 2.68Å; S121-D143 PolarHBondContact OG-OD2 3.21Å; S121-S145 CarbonylContact C-O 3.57Å; S121-S145 WeakPolarHBondContact CA-O 3.28Å; S121-S145 WeakPolarHBondContact CB-O 3.21Å
122	S	98.5	Very high	97.2	Very high	34 Å²	34	46.4 Å²	46.4	24%	0.238	22%	0.22	C	C	.	.	S	Bend	trans	55	53.6	-178.1	-59.1	0	0	0	0	112	H98 N99 S145 Y146	H98-S122 VanDerWaalsContact CA-O 3.27Å; H98-S122 WeakPolarHBondContact CA-O 3.39Å; H98-S122 VanDerWaalsContact CD2-CB 3.5Å; H98-S122 WeakPolarHBondContact CD2-CB 3.3Å; H98-S122 PolarHBondContact N-O 3.11Å; H98-S122 PolarHBondContact NE2-OG 3.17Å; N99-S122 PolarHBondContact N-O 3.4Å; S122-S145 PolarHBondContact N-O 3.27Å; S122-Y146 VanDerWaalsContact CA-O 3.22Å; S122-Y146 WeakPolarHBondContact CA-O 3.45Å; S122-Y146 PolarHBondContact N-O 3.48Å
123	N	98.6	Very high	97.3	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.053	22%	0.219	C	C	.	.	S	Bend	trans	-127.2	-168.2	175.3	-85.4	-74.7	0	0	0	109.5	L96 N99 H100 I101 L120 S121 I125 Y146 N147	L96-N123 PolarHBondContact O-ND2 3.41Å; N99-N123 VanDerWaalsContact CA-OD1 3.29Å; N99-N123 WeakPolarHBondContact CA-OD1 3.46Å; N99-N123 WeakPolarHBondContact CB-OD1 3.24Å; N99-N123 PolarHBondContact N-OD1 3.19Å; N99-N123 PolarHBondContact O-OD1 3.28Å; H100-N123 PolarHBondContact N-OD1 3.02Å; I101-N123 HydrophobicContact CB-CB 4.22Å; I101-N123 VanDerWaalsContact CB-OD1 3.28Å; I101-N123 WeakPolarHBondContact CB-OD1 3.18Å; I101-N123 WeakPolarHBondContact CG1-OD1 3.05Å; I101-N123 PolarHBondContact N-OD1 3.35Å; L120-N123 PolarHBondContact O-ND2 3.29Å; S121-N123 PolarHBondContact O-N 3.49Å; S121-N123 PolarHBondContact O-ND2 2.91Å; N123-I125 HydrophobicContact CB-CD1 4.35Å; N123-I125 HydrophobicContact CB-CG1 4.16Å; N123-Y146 PolarHBondContact N-O 3.27Å; N123-Y146 VanDerWaalsContact N-O 3.16Å; N123-N147 WeakPolarHBondContact CA-OD1 3.46Å; N123-N147 WeakPolarHBondContact CB-OD1 3.44Å; N123-N147 PolarHBondContact O-OD1 2.9Å
124	K	98.2	Very high	97.3	Very high	107 Å²	107	43.6 Å²	43.6	47%	0.465	21%	0.209	S	C	.	.			trans	-117.9	25.2	-178.3	-63.4	-179.9	179	174	0	112.2	I101 C102 T126 N147	I101-K124 CarbonylContact O-C 3.56Å; I101-K124 VanDerWaalsContact O-CA 3.3Å; I101-K124 WeakPolarHBondContact O-CA 3.29Å; I101-K124 PolarHBondContact O-N 3.23Å; C102-K124 HydrophobicContact CB-CB 4.33Å; K124-T126 PolarHBondContact O-N 2.94Å; K124-N147 PolarHBondContact N-OD1 3.09Å
125	I	98.3	Very high	97.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.196	C	C	.	.			trans	-67.7	126.8	-173.2	-56.9	170.6	0	0	0	109.2	I101 V104 L120 N123 Q127 L128 N147 N148 L149	I101-I125 HydrophobicContact CB-CG1 4.43Å; I101-I125 HydrophobicContact CG2-CD1 4.4Å; I101-I125 HydrophobicContact CG2-CG1 4.12Å; I101-I125 WeakPolarHBondContact O-CG1 3.49Å; I101-I125 PolarHBondContact O-N 3.49Å; I101-I125 VanDerWaalsContact O-N 3.07Å; V104-I125 HydrophobicContact CG2-CD1 4.06Å; V104-I125 HydrophobicContact CG2-CG1 4.37Å; L120-I125 HydrophobicContact CB-CD1 3.98Å; L120-I125 HydrophobicContact CD1-CD1 4.32Å; L120-I125 HydrophobicContact CD2-CD1 4.3Å; L120-I125 HydrophobicContact CG-CD1 4.45Å; N123-I125 HydrophobicContact CB-CD1 4.35Å; N123-I125 HydrophobicContact CB-CG1 4.16Å; I125-Q127 WeakPolarHBondContact CG2-O 3.46Å; I125-L128 HydrophobicContact CG2-CD2 3.81Å; I125-L128 HydrophobicContact CG2-CG 4.01Å; I125-N147 HydrophobicContact CB-CB 4.37Å; I125-N147 WeakPolarHBondContact CB-OD1 3.08Å; I125-N147 WeakPolarHBondContact CG1-OD1 3.46Å; I125-N147 PolarHBondContact N-OD1 3.16Å; I125-N148 CarbonylContact O-C 3.02Å; I125-N148 VanDerWaalsContact O-CA 3.31Å; I125-N148 WeakPolarHBondContact O-CA 3.43Å; I125-N148 PolarHBondContact O-N 3.18Å; I125-L149 HydrophobicContact CB-CD2 4.48Å; I125-L149 HydrophobicContact CG2-CD2 3.82Å; I125-L149 PolarHBondContact O-N 3.22Å
126	T	96.6	Very high	97.2	Very high	59 Å²	59	39.1 Å²	39.1	36%	0.362	20%	0.196	S	C	.	.			trans	-99.1	-30.6	-179.1	55.9	0	0	0	0	113.2	K124 N148 L149 Q150	K124-T126 PolarHBondContact O-N 2.94Å; T126-N148 WeakPolarHBondContact CA-O 3.24Å; T126-N148 HydrophobicContact CG2-CB 4.18Å; T126-L149 WeakPolarHBondContact O-CA 3.14Å; T126-Q150 PolarHBondContact O-N 2.95Å
127	Q	96.1	Very high	97.1	Very high	127 Å²	127	37.6 Å²	37.6	59%	0.593	20%	0.195	S	C	*	.			trans	-149.7	154.8	-178.1	-61.6	-177.6	2.4	0	0	110.3	I125	I125-Q127 WeakPolarHBondContact CG2-O 3.46Å
128	L	97.3	Very high	97.1	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	19%	0.191	C	C	.	.			trans	-131.8	124.3	172.4	-71.5	174.4	0	0	0	109.6	V104 I125 T132 F133 L144 L149 E153 L156	V104-L128 HydrophobicContact CB-CD2 3.89Å; V104-L128 HydrophobicContact CG1-CD2 4.32Å; V104-L128 HydrophobicContact CG2-CD2 3.94Å; I125-L128 HydrophobicContact CG2-CD2 3.81Å; I125-L128 HydrophobicContact CG2-CG 4.01Å; L128-T132 HydrophobicContact CD2-CG2 4.16Å; L128-F133 HydrophobicContact CD1-CE2 4.1Å; L128-F133 HydrophobicContact CD1-CZ 3.84Å; L128-L144 HydrophobicContact CD1-CD1 3.79Å; L128-L144 HydrophobicContact CD1-CD2 3.97Å; L128-L149 HydrophobicContact CD1-CD2 4.38Å; L128-L149 HydrophobicContact CG-CD2 4.11Å; L128-E153 WeakPolarHBondContact O-CG 3.39Å; L128-L156 HydrophobicContact CB-CD1 3.83Å; L128-L156 HydrophobicContact CB-CD2 4.25Å
129	P	96.1	Very high	97	Very high	46 Å²	46	36.3 Å²	36.3	30%	0.299	19%	0.191	S	C	.	.			trans	-68.5	153.5	178.6	25.7	-33.1	0	0	0	112.2	T131 T132 L156	P129-T131 PolarHBondContact O-N 3.22Å; P129-T132 WeakPolarHBondContact CD-OG1 3.16Å; P129-T132 WeakPolarHBondContact CG-OG1 3.31Å; P129-T132 WeakPolarHBondContact O-CB 3.09Å; P129-T132 PolarHBondContact O-N 3.33Å; P129-T132 PolarHBondContact O-OG1 3.21Å; P129-L156 WeakPolarHBondContact O-CD1 3.4Å
130	N	95.9	Very high	97.1	Very high	42 Å²	42	41.9 Å²	41.9	23%	0.225	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-21.6	178	-78.1	-52.7	0	0	0	114.8	R134 E153 D155 L156	N130-R134 PolarHBondContact O-NE 3.5Å; N130-E153 PolarHBondContact ND2-OE2 2.89Å; N130-E153 WeakPolarHBondContact OD1-CB 3.46Å; N130-D155 HydrophobicContact CB-CB 4.37Å; N130-D155 VanDerWaalsContact OD1-CA 3.28Å; N130-D155 WeakPolarHBondContact OD1-CA 3.22Å; N130-D155 WeakPolarHBondContact OD1-CB 3.38Å; N130-D155 PolarHBondContact OD1-N 3.01Å; N130-L156 PolarHBondContact OD1-N 3.3Å; N130-L156 VanDerWaalsContact OD1-N 3.13Å
131	T	95	Very high	97.1	Very high	51 Å²	51	43.2 Å²	43.2	31%	0.313	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.7	-178.8	57.6	0	0	0	0	113.6	G106 P129 F133 R134 P135	G106-T131 VanDerWaalsContact C-OG1 3.32Å; G106-T131 WeakPolarHBondContact CA-OG1 3.44Å; G106-T131 CarbonylContact O-C 3.47Å; G106-T131 WeakPolarHBondContact O-CB 3.45Å; G106-T131 PolarHBondContact O-OG1 3.25Å; P129-T131 PolarHBondContact O-N 3.22Å; T131-F133 PolarHBondContact O-N 3.45Å; T131-R134 PolarHBondContact O-N 3.47Å; T131-P135 WeakPolarHBondContact O-CD 3.31Å
132	T	96.4	Very high	97.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.216	C	C	.	.	S	Bend	trans	-50.5	-52	-172	-55.6	0	0	0	0	113.1	V104 F109 L128 P129	V104-T132 HydrophobicContact CG1-CG2 4.19Å; F109-T132 HydrophobicContact CD2-CG2 3.71Å; F109-T132 WeakPolarHBondContact CD2-O 3.36Å; F109-T132 HydrophobicContact CE2-CG2 3.57Å; L128-T132 HydrophobicContact CD2-CG2 4.16Å; P129-T132 WeakPolarHBondContact CD-OG1 3.16Å; P129-T132 WeakPolarHBondContact CG-OG1 3.31Å; P129-T132 WeakPolarHBondContact O-CB 3.09Å; P129-T132 PolarHBondContact O-N 3.33Å; P129-T132 PolarHBondContact O-OG1 3.21Å
133	F	96.9	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-95.6	-9.8	-173.9	-56.7	-56.2	0	0	0	114.1	L118 L128 T131 P135 M136 L139 V142 L144 L156 F157 L160	L118-F133 HydrophobicContact CD2-CD1 4.2Å; L118-F133 HydrophobicContact CD2-CE1 3.77Å; L128-F133 HydrophobicContact CD1-CE2 4.1Å; L128-F133 HydrophobicContact CD1-CZ 3.84Å; T131-F133 PolarHBondContact O-N 3.45Å; F133-P135 VanDerWaalsContact C-CD 3.43Å; F133-P135 VanDerWaalsContact C-N 3.32Å; F133-M136 HydrophobicContact CD1-CE 3.84Å; F133-M136 PolarHBondContact O-N 2.94Å; F133-L139 HydrophobicContact CB-CD1 4.34Å; F133-L139 HydrophobicContact CD1-CD1 4.11Å; F133-V142 HydrophobicContact CE1-CG1 4.32Å; F133-V142 HydrophobicContact CZ-CG1 4.2Å; F133-L144 HydrophobicContact CE2-CD1 4.36Å; F133-L144 HydrophobicContact CZ-CD1 4.07Å; F133-L144 HydrophobicContact CZ-CD2 4.17Å; F133-L156 HydrophobicContact CD2-CD1 3.71Å; F133-L156 HydrophobicContact CD2-CG 3.9Å; F133-L156 WeakPolarHBondContact CD2-O 3.34Å; F133-L156 HydrophobicContact CE2-CD1 3.69Å; F133-L156 HydrophobicContact CE2-CD2 4.22Å; F133-L156 HydrophobicContact CE2-CG 3.82Å; F133-F157 AromaticContact CD2-CD1 3.93Å; F133-F157 HydrophobicContact CD2-CD1 3.93Å; F133-F157 AromaticContact CD2-CE1 3.95Å; F133-F157 HydrophobicContact CD2-CE1 3.95Å; F133-F157 HydrophobicContact CE2-CD1 4.13Å; F133-F157 AromaticContact CE2-CE1 3.65Å; F133-F157 HydrophobicContact CE2-CE1 3.65Å; F133-L160 HydrophobicContact CB-CD1 3.99Å; F133-L160 HydrophobicContact CB-CD2 4.28Å; F133-L160 HydrophobicContact CG-CD1 4.42Å
134	R	94.8	Very high	97.1	Very high	127 Å²	127	42.4 Å²	42.4	48%	0.479	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.2	-179.2	-66.3	-174.3	179.2	-156.7	-5.6	113.7	N130 T131 M136	N130-R134 PolarHBondContact O-NE 3.5Å; T131-R134 PolarHBondContact O-N 3.47Å; R134-M136 PolarHBondContact O-N 3.1Å
135	P	95.1	Very high	97.1	Very high	27 Å²	27	37.7 Å²	37.7	18%	0.175	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13	177.2	-24.5	36	0	0	0	115.3	F109 R113 T131 F133 P137	F109-P135 VanDerWaalsContact O-CB 3.22Å; F109-P135 WeakPolarHBondContact O-CB 3.32Å; R113-P135 WeakPolarHBondContact CA-O 3.3Å; T131-P135 WeakPolarHBondContact O-CD 3.31Å; F133-P135 VanDerWaalsContact C-CD 3.43Å; F133-P135 VanDerWaalsContact C-N 3.32Å; P135-P137 WeakPolarHBondContact O-CD 3.36Å
136	M	96.9	Very high	97.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.			trans	-118.6	62.2	-171.4	-58.4	-179.4	-78.3	0	0	112.6	F109 L112 V115 L118 F133 R134 N138 L139	F109-M136 HydrophobicContact CB-CE 3.53Å; F109-M136 HydrophobicContact CB-CG 4.42Å; F109-M136 HydrophobicContact CB-SD 3.95Å; F109-M136 HydrophobicContact CD1-CE 4.25Å; F109-M136 HydrophobicContact CD1-SD 4.49Å; F109-M136 HydrophobicContact CD2-CE 3.69Å; F109-M136 HydrophobicContact CE2-CE 4.46Å; F109-M136 HydrophobicContact CG-CE 3.55Å; F109-M136 HydrophobicContact CG-SD 4.2Å; L112-M136 HydrophobicContact CB-CG 3.79Å; L112-M136 HydrophobicContact CB-SD 4.12Å; L112-M136 HydrophobicContact CD1-SD 4.33Å; L112-M136 WeakPolarHBondContact O-CG 3.38Å; V115-M136 HydrophobicContact CB-CG 4.42Å; V115-M136 HydrophobicContact CB-SD 4.12Å; V115-M136 HydrophobicContact CG1-SD 4.13Å; L118-M136 HydrophobicContact CD2-CE 3.79Å; L118-M136 HydrophobicContact CD2-SD 4.34Å; F133-M136 HydrophobicContact CD1-CE 3.84Å; F133-M136 PolarHBondContact O-N 2.94Å; R134-M136 PolarHBondContact O-N 3.1Å; M136-N138 PolarHBondContact O-N 2.93Å; M136-L139 HydrophobicContact CB-CD1 3.65Å; M136-L139 HydrophobicContact CB-CG 3.75Å; M136-L139 HydrophobicContact CE-CD1 4.1Å; M136-L139 WeakPolarHBondContact O-CG 3.31Å; M136-L139 PolarHBondContact O-N 3.13Å; M136-L139 HydrophobicContact SD-CD1 4.37Å
137	P	96.3	Very high	97.2	Very high	58 Å²	58	41.1 Å²	41.1	38%	0.377	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.5	-175.2	30.3	-38.1	0	0	0	114.4	P135	P135-P137 WeakPolarHBondContact O-CD 3.36Å
138	N	97.8	Very high	97.3	Very high	49 Å²	49	39 Å²	39	26%	0.262	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.4	179.9	-71.1	-56.1	0	0	0	114	R113 V115 M136 R140 K162	R113-N138 PolarHBondContact O-ND2 3.47Å; V115-N138 CarbonylContact O-C 3.6Å; V115-N138 VanDerWaalsContact O-C 3.23Å; M136-N138 PolarHBondContact O-N 2.93Å; N138-R140 PolarHBondContact O-N 3.12Å; N138-K162 PolarHBondContact OD1-NZ 2.93Å
139	L	98.4	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.			trans	-54.6	137.5	174.9	-78.4	167.9	0	0	0	111.3	V115 L118 F133 M136 V142 L160 K162 L163	V115-L139 HydrophobicContact CG1-CD2 3.91Å; V115-L139 PolarHBondContact O-N 3.27Å; L118-L139 HydrophobicContact CB-CD2 3.92Å; F133-L139 HydrophobicContact CB-CD1 4.34Å; F133-L139 HydrophobicContact CD1-CD1 4.11Å; M136-L139 HydrophobicContact CB-CD1 3.65Å; M136-L139 HydrophobicContact CB-CG 3.75Å; M136-L139 HydrophobicContact CE-CD1 4.1Å; M136-L139 WeakPolarHBondContact O-CG 3.31Å; M136-L139 PolarHBondContact O-N 3.13Å; M136-L139 HydrophobicContact SD-CD1 4.37Å; L139-V142 HydrophobicContact CB-CG2 4.31Å; L139-V142 HydrophobicContact CD1-CG2 3.85Å; L139-V142 HydrophobicContact CD2-CG2 4.04Å; L139-V142 HydrophobicContact CG-CG2 4.29Å; L139-L160 HydrophobicContact CB-CD2 4.36Å; L139-L160 HydrophobicContact CD1-CD2 4.17Å; L139-K162 CarbonylContact O-C 3.14Å; L139-L163 HydrophobicContact CB-CD1 4.32Å; L139-L163 WeakPolarHBondContact O-CA 3.48Å; L139-L163 PolarHBondContact O-N 3.08Å; L139-L163 VanDerWaalsContact O-N 3.11Å
140	R	98.6	Very high	97.4	Very high	126 Å²	126	41.5 Å²	41.5	48%	0.475	20%	0.2	S	C	.	.			trans	-122.4	-38.1	178.2	-61.9	-175	179.1	-161.3	-4.3	110.5	K116 N138 T164 T165	K116-R140 HydrophobicContact CB-CG 4.27Å; K116-R140 WeakPolarHBondContact O-CA 3.19Å; K116-R140 WeakPolarHBondContact O-CB 3.47Å; K116-R140 PolarHBondContact O-N 3.39Å; N138-R140 PolarHBondContact O-N 3.12Å; R140-T164 WeakPolarHBondContact O-CA 3.44Å; R140-T164 PolarHBondContact O-N 3.5Å; R140-T164 PolarHBondContact O-OG1 3.06Å; R140-T165 PolarHBondContact O-N 2.98Å; R140-T165 PolarHBondContact O-OG1 2.96Å
141	S	98.7	Very high	97.3	Very high	27 Å²	27	41.1 Å²	41.1	19%	0.189	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.8	176.9	-173.7	0	0	0	0	110.5	K116 E117 L118 T165	K116-S141 PolarHBondContact O-N 2.92Å; E117-S141 WeakPolarHBondContact CA-O 3.32Å; L118-S141 PolarHBondContact N-O 3.41Å; S141-T165 WeakPolarHBondContact CA-O 3.13Å; S141-T165 VanDerWaalsContact CA-OG1 3.25Å; S141-T165 WeakPolarHBondContact CA-OG1 3.48Å; S141-T165 WeakPolarHBondContact CB-OG1 3.21Å; S141-T165 PolarHBondContact OG-OG1 3.26Å
142	V	98.7	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.6	173.7	174.5	0	0	0	0	108	L118 F133 L139 L144 L163 T165 L166 H167	L118-V142 WeakPolarHBondContact O-CA 3.49Å; F133-V142 HydrophobicContact CE1-CG1 4.32Å; F133-V142 HydrophobicContact CZ-CG1 4.2Å; L139-V142 HydrophobicContact CB-CG2 4.31Å; L139-V142 HydrophobicContact CD1-CG2 3.85Å; L139-V142 HydrophobicContact CD2-CG2 4.04Å; L139-V142 HydrophobicContact CG-CG2 4.29Å; V142-L144 HydrophobicContact CG1-CD1 4.25Å; V142-L144 HydrophobicContact CG1-CD2 4.23Å; V142-L144 HydrophobicContact CG1-CG 3.88Å; V142-L163 HydrophobicContact CB-CD1 4.19Å; V142-L163 HydrophobicContact CG2-CD1 3.69Å; V142-T165 PolarHBondContact N-O 2.82Å; V142-T165 VanDerWaalsContact N-O 3.11Å; V142-L166 HydrophobicContact CB-CD1 3.95Å; V142-L166 HydrophobicContact CG1-CD1 3.97Å; V142-L166 WeakPolarHBondContact O-CA 3.22Å; V142-H167 PolarHBondContact O-N 2.85Å
143	D	98.8	Very high	97.4	Very high	37 Å²	37	42.5 Å²	42.5	20%	0.198	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.9	174.5	-175.8	11.4	0	0	0	110.7	L118 L120 S121 S145 H167	L118-D143 PolarHBondContact O-N 3.46Å; L120-D143 PolarHBondContact N-O 3.12Å; S121-D143 VanDerWaalsContact CB-OD2 3.24Å; S121-D143 WeakPolarHBondContact CB-OD2 3.38Å; S121-D143 PolarHBondContact N-O 2.68Å; S121-D143 PolarHBondContact OG-OD2 3.21Å; D143-S145 WeakPolarHBondContact OD1-CB 3.45Å; D143-S145 PolarHBondContact OD1-N 3.46Å; D143-S145 PolarHBondContact OD1-OG 3.23Å; D143-H167 HydrophobicContact CB-CB 4.35Å; D143-H167 WeakPolarHBondContact OD1-CB 3.31Å
144	L	98.6	Very high	97.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.227	C	C	.	.			trans	-115.9	16	176.7	-58.1	175.4	0	0	0	111.2	L120 L128 F133 V142 N147 L149 F157 H167 M168 N171	L120-L144 HydrophobicContact CB-CD2 4.02Å; L120-L144 HydrophobicContact CD1-CD2 3.9Å; L128-L144 HydrophobicContact CD1-CD1 3.79Å; L128-L144 HydrophobicContact CD1-CD2 3.97Å; F133-L144 HydrophobicContact CE2-CD1 4.36Å; F133-L144 HydrophobicContact CZ-CD1 4.07Å; F133-L144 HydrophobicContact CZ-CD2 4.17Å; V142-L144 HydrophobicContact CG1-CD1 4.25Å; V142-L144 HydrophobicContact CG1-CD2 4.23Å; V142-L144 HydrophobicContact CG1-CG 3.88Å; L144-N147 PolarHBondContact O-ND2 2.87Å; L144-N147 VanDerWaalsContact O-ND2 3.13Å; L144-L149 HydrophobicContact CB-CD1 4.13Å; L144-L149 HydrophobicContact CD1-CD1 4.2Å; L144-F157 HydrophobicContact CD1-CZ 4.5Å; L144-H167 WeakPolarHBondContact CA-O 3.1Å; L144-H167 PolarHBondContact N-O 3.3Å; L144-M168 HydrophobicContact CB-CG 4.35Å; L144-M168 HydrophobicContact CD1-CG 4.35Å; L144-N171 PolarHBondContact O-ND2 3.21Å
145	S	98.7	Very high	97.3	Very high	7 Å²	7	43.6 Å²	43.6	5%	0.049	23%	0.225	C	C	.	.			trans	-65.6	154.9	-175.1	-50.9	0	0	0	0	112.1	S121 S122 D143 N147 H167 R169	S121-S145 CarbonylContact C-O 3.57Å; S121-S145 WeakPolarHBondContact CA-O 3.28Å; S121-S145 WeakPolarHBondContact CB-O 3.21Å; S122-S145 PolarHBondContact N-O 3.27Å; D143-S145 WeakPolarHBondContact OD1-CB 3.45Å; D143-S145 PolarHBondContact OD1-N 3.46Å; D143-S145 PolarHBondContact OD1-OG 3.23Å; S145-N147 PolarHBondContact O-N 3.14Å; S145-N147 PolarHBondContact O-ND2 3.06Å; S145-H167 VanDerWaalsContact OG-CB 3.24Å; S145-H167 WeakPolarHBondContact OG-CB 3.42Å; S145-R169 CarbonylContact C-O 3.07Å; S145-R169 WeakPolarHBondContact CA-O 3.48Å
146	Y	98.6	Very high	97.4	Very high	128 Å²	128	42.4 Å²	42.4	50%	0.502	22%	0.217	S	C	.	.	S	Bend	trans	55.5	51.9	177.4	-54.9	-82.2	0	0	0	112.1	S122 N123 R169 S170	S122-Y146 VanDerWaalsContact CA-O 3.22Å; S122-Y146 WeakPolarHBondContact CA-O 3.45Å; S122-Y146 PolarHBondContact N-O 3.48Å; N123-Y146 PolarHBondContact N-O 3.27Å; N123-Y146 VanDerWaalsContact N-O 3.16Å; Y146-R169 PolarHBondContact N-O 3.13Å; Y146-S170 VanDerWaalsContact CA-O 3.28Å; Y146-S170 WeakPolarHBondContact CA-O 3.34Å; Y146-S170 WeakPolarHBondContact CE1-OG 3.41Å; Y146-S170 PolarHBondContact N-O 3.29Å
147	N	98.7	Very high	97.5	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-123.7	-173.1	171.3	-85.4	-77.5	0	0	0	109	L120 N123 K124 I125 L144 S145 L149 S170 N171	L120-N147 PolarHBondContact O-ND2 3.34Å; N123-N147 WeakPolarHBondContact CA-OD1 3.46Å; N123-N147 WeakPolarHBondContact CB-OD1 3.44Å; N123-N147 PolarHBondContact O-OD1 2.9Å; K124-N147 PolarHBondContact N-OD1 3.09Å; I125-N147 HydrophobicContact CB-CB 4.37Å; I125-N147 WeakPolarHBondContact CB-OD1 3.08Å; I125-N147 WeakPolarHBondContact CG1-OD1 3.46Å; I125-N147 PolarHBondContact N-OD1 3.16Å; L144-N147 PolarHBondContact O-ND2 2.87Å; L144-N147 VanDerWaalsContact O-ND2 3.13Å; S145-N147 PolarHBondContact O-N 3.14Å; S145-N147 PolarHBondContact O-ND2 3.06Å; N147-L149 HydrophobicContact CB-CG 4.33Å; N147-S170 PolarHBondContact N-O 3.47Å; N147-N171 WeakPolarHBondContact CA-OD1 3.31Å; N147-N171 WeakPolarHBondContact CB-OD1 3.33Å; N147-N171 PolarHBondContact O-OD1 2.86Å; N147-N171 VanDerWaalsContact O-OD1 3.13Å
148	N	98	Very high	97.5	Very high	83 Å²	83	44.4 Å²	44.4	44%	0.444	22%	0.221	S	C	.	.			trans	-112.9	30.9	-179.6	-64.6	-23.7	0	0	0	111.7	I125 T126 Q150 N171	I125-N148 CarbonylContact O-C 3.02Å; I125-N148 VanDerWaalsContact O-CA 3.31Å; I125-N148 WeakPolarHBondContact O-CA 3.43Å; I125-N148 PolarHBondContact O-N 3.18Å; T126-N148 WeakPolarHBondContact CA-O 3.24Å; T126-N148 HydrophobicContact CG2-CB 4.18Å; N148-Q150 WeakPolarHBondContact O-CG 3.15Å; N148-Q150 PolarHBondContact O-N 3.35Å; N148-N171 PolarHBondContact N-OD1 3.24Å
149	L	97.9	Very high	97.4	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	22%	0.221	C	C	.	.			trans	-62.6	119.5	-176.7	-65.5	172.2	0	0	0	110.2	I125 T126 L128 L144 N147 N171 A172 I173	I125-L149 HydrophobicContact CB-CD2 4.48Å; I125-L149 HydrophobicContact CG2-CD2 3.82Å; I125-L149 PolarHBondContact O-N 3.22Å; T126-L149 WeakPolarHBondContact O-CA 3.14Å; L128-L149 HydrophobicContact CD1-CD2 4.38Å; L128-L149 HydrophobicContact CG-CD2 4.11Å; L144-L149 HydrophobicContact CB-CD1 4.13Å; L144-L149 HydrophobicContact CD1-CD1 4.2Å; N147-L149 HydrophobicContact CB-CG 4.33Å; L149-N171 HydrophobicContact CB-CB 4.13Å; L149-N171 VanDerWaalsContact CB-OD1 3.26Å; L149-N171 WeakPolarHBondContact CB-OD1 3.33Å; L149-N171 WeakPolarHBondContact CG-OD1 3.17Å; L149-N171 PolarHBondContact N-OD1 3.42Å; L149-A172 CarbonylContact O-C 3.03Å; L149-A172 VanDerWaalsContact O-CA 3.25Å; L149-A172 WeakPolarHBondContact O-CA 3.33Å; L149-A172 PolarHBondContact O-N 3.38Å; L149-I173 HydrophobicContact CB-CG1 4.24Å; L149-I173 WeakPolarHBondContact O-CG1 3.31Å; L149-I173 PolarHBondContact O-N 3Å; L149-I173 VanDerWaalsContact O-N 3.08Å
150	Q	95.7	Very high	97.3	Very high	101 Å²	101	43.3 Å²	43.3	47%	0.472	22%	0.221	S	C	.	.			trans	-95.4	-31	-178.4	-60.6	-174.7	12.1	0	0	113	T126 N148 A172 K174	T126-Q150 PolarHBondContact O-N 2.95Å; N148-Q150 WeakPolarHBondContact O-CG 3.15Å; N148-Q150 PolarHBondContact O-N 3.35Å; Q150-A172 WeakPolarHBondContact CA-O 3.39Å; Q150-A172 HydrophobicContact CG-CB 4.22Å; Q150-K174 PolarHBondContact O-N 2.84Å
151	A	95.1	Very high	97.2	Very high	33 Å²	33	44.4 Å²	44.4	27%	0.273	23%	0.225	S	C	.	.			trans	-141.8	151.7	-178.9	0	0	0	0	0	109.7	F175	A151-F175 HydrophobicContact CB-CE1 4.14Å; A151-F175 HydrophobicContact CB-CZ 3.72Å
152	L	96.8	Very high	97.2	Very high	3 Å²	3	48 Å²	48	2%	0.016	24%	0.237	C	C	.	.			trans	-105.4	129.1	169.7	-59.3	176.8	0	0	0	108.1	L156 M168 I173 P177 I180	L152-L156 HydrophobicContact CD2-CD2 4.27Å; L152-M168 HydrophobicContact CD1-CE 3.99Å; L152-M168 HydrophobicContact CD1-SD 4.02Å; L152-M168 HydrophobicContact CD2-SD 3.9Å; L152-I173 HydrophobicContact CD1-CD1 4.23Å; L152-I173 HydrophobicContact CD1-CG2 4.37Å; L152-I173 HydrophobicContact CD2-CD1 3.97Å; L152-I173 HydrophobicContact CD2-CG1 4.48Å; L152-I173 HydrophobicContact CG-CD1 4.14Å; L152-I173 HydrophobicContact CG-CG1 4.47Å; L152-I173 HydrophobicContact CG-CG2 4.23Å; L152-P177 HydrophobicContact CB-CG 4.19Å; L152-P177 WeakPolarHBondContact O-CG 3.4Å; L152-I180 HydrophobicContact CB-CD1 3.5Å; L152-I180 HydrophobicContact CD1-CD1 3.86Å; L152-I180 HydrophobicContact CG-CD1 4.29Å
153	E	96	Very high	97.2	Very high	79 Å²	79	48 Å²	48	37%	0.369	24%	0.237	S	C	.	.			trans	-69.3	139.2	173.5	-77.1	-66.3	140.8	0	0	110.7	L128 N130 D155 L156	L128-E153 WeakPolarHBondContact O-CG 3.39Å; N130-E153 PolarHBondContact ND2-OE2 2.89Å; N130-E153 WeakPolarHBondContact OD1-CB 3.46Å; E153-D155 VanDerWaalsContact C-N 3.28Å; E153-D155 PolarHBondContact O-N 3.39Å; E153-D155 VanDerWaalsContact O-N 3.17Å; E153-L156 HydrophobicContact CB-CB 4.26Å; E153-L156 VanDerWaalsContact O-CB 3.25Å; E153-L156 WeakPolarHBondContact O-CB 3.37Å; E153-L156 PolarHBondContact O-N 3.46Å; E153-L156 VanDerWaalsContact O-N 3.14Å
154	P	94.9	Very high	97.2	Very high	70 Å²	70	48.2 Å²	48.2	46%	0.455	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.4	-170.3	-27.6	35.4	0	0	0	115.8
155	D	95.9	Very high	97.2	Very high	79 Å²	79	49.9 Å²	49.9	42%	0.422	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	14.3	-177.6	-68.3	-32.4	0	0	0	112.7	N130 E153 F157 H158	N130-D155 HydrophobicContact CB-CB 4.37Å; N130-D155 VanDerWaalsContact OD1-CA 3.28Å; N130-D155 WeakPolarHBondContact OD1-CA 3.22Å; N130-D155 WeakPolarHBondContact OD1-CB 3.38Å; N130-D155 PolarHBondContact OD1-N 3.01Å; E153-D155 VanDerWaalsContact C-N 3.28Å; E153-D155 PolarHBondContact O-N 3.39Å; E153-D155 VanDerWaalsContact O-N 3.17Å; D155-F157 VanDerWaalsContact C-N 3.27Å; D155-F157 PolarHBondContact O-N 3.34Å; D155-H158 HydrophobicContact CB-CB 4.23Å; D155-H158 WeakPolarHBondContact O-CB 3.5Å; D155-H158 PolarHBondContact O-N 2.95Å; D155-H158 VanDerWaalsContact O-N 3.08Å
156	L	97.3	Very high	97.2	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.7	-174.6	-178.9	60	0	0	0	112.6	L128 P129 N130 F133 L152 E153	L128-L156 HydrophobicContact CB-CD1 3.83Å; L128-L156 HydrophobicContact CB-CD2 4.25Å; P129-L156 WeakPolarHBondContact O-CD1 3.4Å; N130-L156 PolarHBondContact OD1-N 3.3Å; N130-L156 VanDerWaalsContact OD1-N 3.13Å; F133-L156 HydrophobicContact CD2-CD1 3.71Å; F133-L156 HydrophobicContact CD2-CG 3.9Å; F133-L156 WeakPolarHBondContact CD2-O 3.34Å; F133-L156 HydrophobicContact CE2-CD1 3.69Å; F133-L156 HydrophobicContact CE2-CD2 4.22Å; F133-L156 HydrophobicContact CE2-CG 3.82Å; L152-L156 HydrophobicContact CD2-CD2 4.27Å; E153-L156 HydrophobicContact CB-CB 4.26Å; E153-L156 VanDerWaalsContact O-CB 3.25Å; E153-L156 WeakPolarHBondContact O-CB 3.37Å; E153-L156 PolarHBondContact O-N 3.46Å; E153-L156 VanDerWaalsContact O-N 3.14Å
157	F	97.4	Very high	97.2	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	15.8	-178.8	-54	-58.5	0	0	0	113.7	F133 L144 D155 G159 L160 L166 M168 I180 F181	F133-F157 AromaticContact CD2-CD1 3.93Å; F133-F157 HydrophobicContact CD2-CD1 3.93Å; F133-F157 AromaticContact CD2-CE1 3.95Å; F133-F157 HydrophobicContact CD2-CE1 3.95Å; F133-F157 HydrophobicContact CE2-CD1 4.13Å; F133-F157 AromaticContact CE2-CE1 3.65Å; F133-F157 HydrophobicContact CE2-CE1 3.65Å; L144-F157 HydrophobicContact CD1-CZ 4.5Å; D155-F157 VanDerWaalsContact C-N 3.27Å; D155-F157 PolarHBondContact O-N 3.34Å; F157-G159 PolarHBondContact O-N 3.48Å; F157-L160 HydrophobicContact CB-CD1 4.09Å; F157-L160 HydrophobicContact CD1-CD1 3.86Å; F157-L160 HydrophobicContact CG-CD1 4.47Å; F157-L160 WeakPolarHBondContact O-CB 3.18Å; F157-L160 PolarHBondContact O-N 2.97Å; F157-L166 HydrophobicContact CD2-CD2 4.31Å; F157-L166 HydrophobicContact CE1-CD1 4.03Å; F157-L166 HydrophobicContact CE1-CD2 4.17Å; F157-L166 HydrophobicContact CE2-CD2 3.89Å; F157-L166 HydrophobicContact CZ-CD1 4.09Å; F157-L166 HydrophobicContact CZ-CD2 3.81Å; F157-M168 HydrophobicContact CE2-CE 4.45Å; F157-M168 HydrophobicContact CE2-SD 4.03Å; F157-M168 HydrophobicContact CZ-SD 3.72Å; F157-I180 HydrophobicContact CD2-CD1 3.92Å; F157-I180 HydrophobicContact CD2-CG1 3.91Å; F157-I180 HydrophobicContact CE2-CD1 3.94Å; F157-I180 HydrophobicContact CE2-CG1 4.44Å; F157-F181 HydrophobicContact CD2-CD1 4.04Å; F157-F181 AromaticContact CD2-CE1 3.74Å; F157-F181 HydrophobicContact CD2-CE1 3.74Å; F157-F181 AromaticContact CE2-CE1 3.83Å; F157-F181 HydrophobicContact CE2-CE1 3.83Å
158	H	96.4	Very high	97.2	Very high	99 Å²	99	45.6 Å²	45.6	46%	0.458	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	133.3	-179.4	179.9	-84.7	0	0	0	111.7	D155 L160 D183	D155-H158 HydrophobicContact CB-CB 4.23Å; D155-H158 WeakPolarHBondContact O-CB 3.5Å; D155-H158 PolarHBondContact O-N 2.95Å; D155-H158 VanDerWaalsContact O-N 3.08Å; H158-L160 VanDerWaalsContact C-N 3.3Å; H158-L160 PolarHBondContact O-N 3.21Å; H158-D183 IonicContact CD2-OD2 3.79Å; H158-D183 IonicContact CG-OD2 3.15Å; H158-D183 IonicContact NE2-OD2 3.29Å
159	G	95.3	Very high	97.2	Very high	25 Å²	25	43.8 Å²	43.8	26%	0.258	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-2.4	179.4	0	0	0	0	0	116.6	F157 R161 D183	F157-G159 PolarHBondContact O-N 3.48Å; G159-R161 PolarHBondContact O-N 2.75Å; G159-D183 PolarHBondContact N-OD2 3.5Å
160	L	97.3	Very high	97.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.23	C	C	.	.			trans	-78	55.6	-179.5	-60	-173.8	0	0	0	113.5	F133 L139 F157 H158 K162 L163	F133-L160 HydrophobicContact CB-CD1 3.99Å; F133-L160 HydrophobicContact CB-CD2 4.28Å; F133-L160 HydrophobicContact CG-CD1 4.42Å; L139-L160 HydrophobicContact CB-CD2 4.36Å; L139-L160 HydrophobicContact CD1-CD2 4.17Å; F157-L160 HydrophobicContact CB-CD1 4.09Å; F157-L160 HydrophobicContact CD1-CD1 3.86Å; F157-L160 HydrophobicContact CG-CD1 4.47Å; F157-L160 WeakPolarHBondContact O-CB 3.18Å; F157-L160 PolarHBondContact O-N 2.97Å; H158-L160 VanDerWaalsContact C-N 3.3Å; H158-L160 PolarHBondContact O-N 3.21Å; L160-K162 PolarHBondContact O-N 2.75Å; L160-K162 VanDerWaalsContact O-N 3.12Å; L160-L163 HydrophobicContact CB-CB 4.14Å; L160-L163 HydrophobicContact CB-CD2 4.49Å; L160-L163 HydrophobicContact CD1-CD2 4.25Å; L160-L163 VanDerWaalsContact O-CB 3.31Å; L160-L163 WeakPolarHBondContact O-CB 3.45Å; L160-L163 PolarHBondContact O-N 2.97Å; L160-L163 VanDerWaalsContact O-N 3.14Å
161	R	97.2	Very high	97.4	Very high	148 Å²	148	40.8 Å²	40.8	56%	0.558	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.1	-173.6	-62	179.2	-178.1	-178.1	2.5	114.7	G159 D183 S186	G159-R161 PolarHBondContact O-N 2.75Å; R161-D183 WeakPolarHBondContact CA-O 3.4Å; R161-S186 VanDerWaalsContact O-CB 3.23Å; R161-S186 WeakPolarHBondContact O-CB 3.24Å; R161-S186 PolarHBondContact O-OG 3.38Å
162	K	98.1	Very high	97.5	Very high	102 Å²	102	40.2 Å²	40.2	44%	0.443	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.4	-179.2	-64.8	-176.3	-176.3	175.3	0	113.2	N138 L139 L160 T164	N138-K162 PolarHBondContact OD1-NZ 2.93Å; L139-K162 CarbonylContact O-C 3.14Å; L160-K162 PolarHBondContact O-N 2.75Å; L160-K162 VanDerWaalsContact O-N 3.12Å; K162-T164 PolarHBondContact O-N 3.12Å
163	L	98.5	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-63.2	129.2	179.5	-165.9	68.2	0	0	0	109.4	L139 V142 L160 L166 S186 L187	L139-L163 HydrophobicContact CB-CD1 4.32Å; L139-L163 WeakPolarHBondContact O-CA 3.48Å; L139-L163 PolarHBondContact O-N 3.08Å; L139-L163 VanDerWaalsContact O-N 3.11Å; V142-L163 HydrophobicContact CB-CD1 4.19Å; V142-L163 HydrophobicContact CG2-CD1 3.69Å; L160-L163 HydrophobicContact CB-CB 4.14Å; L160-L163 HydrophobicContact CB-CD2 4.49Å; L160-L163 HydrophobicContact CD1-CD2 4.25Å; L160-L163 VanDerWaalsContact O-CB 3.31Å; L160-L163 WeakPolarHBondContact O-CB 3.45Å; L160-L163 PolarHBondContact O-N 2.97Å; L160-L163 VanDerWaalsContact O-N 3.14Å; L163-L166 HydrophobicContact CD2-CB 4.2Å; L163-L166 HydrophobicContact CD2-CD2 4.38Å; L163-S186 CarbonylContact O-C 3.23Å; L163-S186 WeakPolarHBondContact O-CB 3.28Å; L163-L187 HydrophobicContact CB-CD1 4.32Å; L163-L187 HydrophobicContact CD2-CD1 3.92Å; L163-L187 HydrophobicContact CG-CD1 3.75Å; L163-L187 VanDerWaalsContact O-CA 3.23Å; L163-L187 WeakPolarHBondContact O-CA 3.44Å; L163-L187 PolarHBondContact O-N 2.76Å
164	T	98.6	Very high	97.6	Very high	42 Å²	42	41.8 Å²	41.8	26%	0.258	21%	0.211	S	C	.	.			trans	-115.1	-33.7	-178.6	50.9	0	0	0	0	112.4	R140 K162 K188 F189	R140-T164 WeakPolarHBondContact O-CA 3.44Å; R140-T164 PolarHBondContact O-N 3.5Å; R140-T164 PolarHBondContact O-OG1 3.06Å; K162-T164 PolarHBondContact O-N 3.12Å; T164-K188 PolarHBondContact O-N 3.5Å; T164-F189 PolarHBondContact O-N 2.96Å; T164-F189 VanDerWaalsContact O-N 3.14Å
165	T	98.8	Very high	97.6	Very high	37 Å²	37	43.6 Å²	43.6	23%	0.227	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.8	-177.6	49.8	0	0	0	0	109.3	R140 S141 V142 F189	R140-T165 PolarHBondContact O-N 2.98Å; R140-T165 PolarHBondContact O-OG1 2.96Å; S141-T165 WeakPolarHBondContact CA-O 3.13Å; S141-T165 VanDerWaalsContact CA-OG1 3.25Å; S141-T165 WeakPolarHBondContact CA-OG1 3.48Å; S141-T165 WeakPolarHBondContact CB-OG1 3.21Å; S141-T165 PolarHBondContact OG-OG1 3.26Å; V142-T165 PolarHBondContact N-O 2.82Å; V142-T165 VanDerWaalsContact N-O 3.11Å; T165-F189 HydrophobicContact CG2-CB 4.15Å
166	L	98.8	Very high	97.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	119.4	175.7	178.1	59.7	0	0	0	109.1	V142 F157 L163 M168 F181 L187 F189 L190 D191	V142-L166 HydrophobicContact CB-CD1 3.95Å; V142-L166 HydrophobicContact CG1-CD1 3.97Å; V142-L166 WeakPolarHBondContact O-CA 3.22Å; F157-L166 HydrophobicContact CD2-CD2 4.31Å; F157-L166 HydrophobicContact CE1-CD1 4.03Å; F157-L166 HydrophobicContact CE1-CD2 4.17Å; F157-L166 HydrophobicContact CE2-CD2 3.89Å; F157-L166 HydrophobicContact CZ-CD1 4.09Å; F157-L166 HydrophobicContact CZ-CD2 3.81Å; L163-L166 HydrophobicContact CD2-CB 4.2Å; L163-L166 HydrophobicContact CD2-CD2 4.38Å; L166-M168 HydrophobicContact CD1-CG 4.13Å; L166-M168 HydrophobicContact CD1-SD 4.45Å; L166-M168 HydrophobicContact CD2-CE 3.92Å; L166-M168 HydrophobicContact CD2-SD 4.24Å; L166-M168 HydrophobicContact CG-CE 4.3Å; L166-M168 HydrophobicContact CG-CG 4.18Å; L166-M168 HydrophobicContact CG-SD 4.4Å; L166-F181 HydrophobicContact CD2-CD1 4.35Å; L166-F181 HydrophobicContact CD2-CE1 3.6Å; L166-F181 HydrophobicContact CD2-CZ 4.46Å; L166-L187 HydrophobicContact CB-CD1 3.9Å; L166-F189 PolarHBondContact N-O 3.32Å; L166-L190 HydrophobicContact CB-CD1 4.05Å; L166-L190 HydrophobicContact CD2-CD1 3.85Å; L166-L190 HydrophobicContact CG-CD1 4Å; L166-D191 PolarHBondContact O-N 3.41Å
167	H	98.8	Very high	97.5	Very high	49 Å²	49	40.9 Å²	40.9	23%	0.227	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.2	176.7	-54.5	-95.4	0	0	0	109.6	V142 D143 L144 S145 F189	V142-H167 PolarHBondContact O-N 2.85Å; D143-H167 HydrophobicContact CB-CB 4.35Å; D143-H167 WeakPolarHBondContact OD1-CB 3.31Å; L144-H167 WeakPolarHBondContact CA-O 3.1Å; L144-H167 PolarHBondContact N-O 3.3Å; S145-H167 VanDerWaalsContact OG-CB 3.24Å; S145-H167 WeakPolarHBondContact OG-CB 3.42Å; H167-F189 AromaticContact CE1-CD1 3.61Å; H167-F189 AromaticContact CE1-CE1 3.25Å; H167-F189 WeakPolarHBondContact CE1-CE1 3.25Å; H167-F189 AromaticContact ND1-CE1 3.43Å; H167-F189 WeakPolarHBondContact ND1-CE1 3.43Å
168	M	98.2	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.			trans	-134.1	26.7	175.7	-61.9	-173.9	-64.9	0	0	110.5	L144 L152 F157 L166 N171 I173 F181 L190 D191 I192 N195	L144-M168 HydrophobicContact CB-CG 4.35Å; L144-M168 HydrophobicContact CD1-CG 4.35Å; L152-M168 HydrophobicContact CD1-CE 3.99Å; L152-M168 HydrophobicContact CD1-SD 4.02Å; L152-M168 HydrophobicContact CD2-SD 3.9Å; F157-M168 HydrophobicContact CE2-CE 4.45Å; F157-M168 HydrophobicContact CE2-SD 4.03Å; F157-M168 HydrophobicContact CZ-SD 3.72Å; L166-M168 HydrophobicContact CD1-CG 4.13Å; L166-M168 HydrophobicContact CD1-SD 4.45Å; L166-M168 HydrophobicContact CD2-CE 3.92Å; L166-M168 HydrophobicContact CD2-SD 4.24Å; L166-M168 HydrophobicContact CG-CE 4.3Å; L166-M168 HydrophobicContact CG-CG 4.18Å; L166-M168 HydrophobicContact CG-SD 4.4Å; M168-N171 PolarHBondContact O-ND2 3.02Å; M168-I173 HydrophobicContact CB-CD1 4.19Å; M168-I173 HydrophobicContact SD-CD1 4.46Å; M168-F181 HydrophobicContact CE-CE1 4.31Å; M168-F181 HydrophobicContact CE-CZ 3.96Å; M168-L190 HydrophobicContact CE-CD1 4.13Å; M168-D191 CarbonylContact C-O 3.52Å; M168-D191 WeakPolarHBondContact CA-O 3.46Å; M168-D191 PolarHBondContact N-O 3.47Å; M168-I192 HydrophobicContact CE-CD1 3.68Å; M168-I192 HydrophobicContact CE-CG1 3.78Å; M168-N195 PolarHBondContact O-ND2 3.45Å
169	R	98.4	Very high	97.1	Very high	45 Å²	45	46.5 Å²	46.5	17%	0.17	22%	0.223	C	C	.	.			trans	-62.2	147.7	-178.1	-173.3	-174.9	-167.8	76.6	-4.4	111.7	S145 Y146 N171 D191 G193 Y194 E217	S145-R169 CarbonylContact C-O 3.07Å; S145-R169 WeakPolarHBondContact CA-O 3.48Å; Y146-R169 PolarHBondContact N-O 3.13Å; R169-N171 PolarHBondContact O-ND2 3.16Å; R169-D191 IonicContact NH1-OD1 3.62Å; R169-D191 PolarHBondContact NH1-OD1 3.07Å; R169-D191 IonicContact NH1-OD2 3.14Å; R169-D191 PolarHBondContact NH1-OD2 2.89Å; R169-G193 CarbonylContact C-O 3.42Å; R169-G193 VanDerWaalsContact CA-O 3.28Å; R169-G193 WeakPolarHBondContact CA-O 3.35Å; R169-Y194 HydrophobicContact CG-CD2 4.47Å; R169-Y194 VanDerWaalsContact CZ-CD2 3.48Å; R169-Y194 VanDerWaalsContact NH2-CD2 3.33Å; R169-E217 IonicContact CZ-OE1 3.73Å; R169-E217 IonicContact NH1-OE1 2.74Å; R169-E217 PolarHBondContact NH1-OE1 3.28Å; R169-E217 IonicContact NH2-OE1 3.99Å; R169-E217 PolarHBondContact NH2-OE1 3.19Å; R169-E217 VanDerWaalsContact NH2-OE1 3.08Å
170	S	98.4	Very high	97.2	Very high	28 Å²	28	45.6 Å²	45.6	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	56.5	59.5	172	-64.3	0	0	0	0	111.3	Y146 N147 G193 Y194	Y146-S170 VanDerWaalsContact CA-O 3.28Å; Y146-S170 WeakPolarHBondContact CA-O 3.34Å; Y146-S170 WeakPolarHBondContact CE1-OG 3.41Å; Y146-S170 PolarHBondContact N-O 3.29Å; N147-S170 PolarHBondContact N-O 3.47Å; S170-G193 PolarHBondContact N-O 2.73Å; S170-Y194 WeakPolarHBondContact CA-O 3.26Å; S170-Y194 PolarHBondContact N-O 3Å; S170-Y194 WeakPolarHBondContact OG-CB 3.42Å
171	N	98.7	Very high	97.1	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.07	21%	0.212	C	C	.	.	S	Bend	trans	-125.9	-171.5	172.2	-84.5	-79.6	0	0	0	108.8	L144 N147 N148 L149 M168 R169 I173 Y194 N195	L144-N171 PolarHBondContact O-ND2 3.21Å; N147-N171 WeakPolarHBondContact CA-OD1 3.31Å; N147-N171 WeakPolarHBondContact CB-OD1 3.33Å; N147-N171 PolarHBondContact O-OD1 2.86Å; N147-N171 VanDerWaalsContact O-OD1 3.13Å; N148-N171 PolarHBondContact N-OD1 3.24Å; L149-N171 HydrophobicContact CB-CB 4.13Å; L149-N171 VanDerWaalsContact CB-OD1 3.26Å; L149-N171 WeakPolarHBondContact CB-OD1 3.33Å; L149-N171 WeakPolarHBondContact CG-OD1 3.17Å; L149-N171 PolarHBondContact N-OD1 3.42Å; M168-N171 PolarHBondContact O-ND2 3.02Å; R169-N171 PolarHBondContact O-ND2 3.16Å; N171-I173 HydrophobicContact CB-CD1 4.14Å; N171-I173 HydrophobicContact CB-CG1 4.03Å; N171-Y194 PolarHBondContact N-O 2.94Å; N171-N195 WeakPolarHBondContact CA-OD1 3.14Å; N171-N195 WeakPolarHBondContact CB-OD1 3.24Å; N171-N195 PolarHBondContact O-OD1 3.07Å
172	A	98	Very high	97	Very high	21 Å²	21	42 Å²	42	17%	0.174	20%	0.202	C	C	.	.			trans	-112.5	30.5	178.2	0	0	0	0	0	112.1	L149 Q150 K174	L149-A172 CarbonylContact O-C 3.03Å; L149-A172 VanDerWaalsContact O-CA 3.25Å; L149-A172 WeakPolarHBondContact O-CA 3.33Å; L149-A172 PolarHBondContact O-N 3.38Å; Q150-A172 WeakPolarHBondContact CA-O 3.39Å; Q150-A172 HydrophobicContact CG-CB 4.22Å; A172-K174 PolarHBondContact O-N 3.07Å
173	I	97.9	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.			trans	-70.4	123.5	-172.9	-58.3	165.3	0	0	0	109.3	L149 L152 M168 N171 F175 I192 N195 Q196 L197	L149-I173 HydrophobicContact CB-CG1 4.24Å; L149-I173 WeakPolarHBondContact O-CG1 3.31Å; L149-I173 PolarHBondContact O-N 3Å; L149-I173 VanDerWaalsContact O-N 3.08Å; L152-I173 HydrophobicContact CD1-CD1 4.23Å; L152-I173 HydrophobicContact CD1-CG2 4.37Å; L152-I173 HydrophobicContact CD2-CD1 3.97Å; L152-I173 HydrophobicContact CD2-CG1 4.48Å; L152-I173 HydrophobicContact CG-CD1 4.14Å; L152-I173 HydrophobicContact CG-CG1 4.47Å; L152-I173 HydrophobicContact CG-CG2 4.23Å; M168-I173 HydrophobicContact CB-CD1 4.19Å; M168-I173 HydrophobicContact SD-CD1 4.46Å; N171-I173 HydrophobicContact CB-CD1 4.14Å; N171-I173 HydrophobicContact CB-CG1 4.03Å; I173-F175 WeakPolarHBondContact CG2-O 3.22Å; I173-I192 HydrophobicContact CD1-CG2 4.33Å; I173-N195 HydrophobicContact CB-CB 4.33Å; I173-N195 VanDerWaalsContact CB-OD1 3.27Å; I173-N195 WeakPolarHBondContact CB-OD1 3.15Å; I173-N195 WeakPolarHBondContact CG1-OD1 3.28Å; I173-N195 PolarHBondContact N-OD1 2.77Å; I173-Q196 CarbonylContact O-C 3.47Å; I173-Q196 VanDerWaalsContact O-C 3.3Å; I173-Q196 WeakPolarHBondContact O-CA 3.44Å; I173-Q196 PolarHBondContact O-N 2.64Å; I173-L197 HydrophobicContact CG2-CD2 4.02Å; I173-L197 PolarHBondContact O-N 2.82Å
174	K	96	Very high	96.8	Very high	114 Å²	114	38.4 Å²	38.4	50%	0.496	19%	0.187	S	C	.	.			trans	-95	-27.8	-178.1	-64.2	177.6	-176.8	173.9	0	113.9	Q150 A172 Q196	Q150-K174 PolarHBondContact O-N 2.84Å; A172-K174 PolarHBondContact O-N 3.07Å; K174-Q196 HydrophobicContact CG-CB 4.27Å
175	F	95.3	Very high	96.6	Very high	109 Å²	109	42.3 Å²	42.3	48%	0.478	20%	0.197	S	C	.	.			trans	-145.8	146	-177.4	58.2	-90.3	0	0	0	111.2	A151 I173 P177	A151-F175 HydrophobicContact CB-CE1 4.14Å; A151-F175 HydrophobicContact CB-CZ 3.72Å; I173-F175 WeakPolarHBondContact CG2-O 3.22Å; F175-P177 HydrophobicContact CD2-CG 4.16Å; F175-P177 HydrophobicContact CE2-CG 4.13Å
176	V	96	Very high	96.6	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.055	20%	0.197	C	C	.	.			trans	-101.2	110.2	170.2	-178.8	0	0	0	0	108.3	I180 F181 I192 L197 S204	V176-I180 HydrophobicContact CG1-CG2 3.9Å; V176-F181 HydrophobicContact CG1-CE2 3.81Å; V176-F181 HydrophobicContact CG1-CZ 4.5Å; V176-I192 HydrophobicContact CG2-CD1 4.27Å; V176-L197 HydrophobicContact CG2-CD1 4.08Å; V176-L197 HydrophobicContact CG2-CD2 3.87Å; V176-S204 PolarHBondContact O-OG 3.03Å; V176-S204 VanDerWaalsContact O-OG 3.05Å
177	P	95.4	Very high	96.5	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.104	20%	0.197	C	C	.	.			trans	-56.5	144.7	179.7	-20.4	28.7	0	0	0	112.3	L152 F175 R179 I180	L152-P177 HydrophobicContact CB-CG 4.19Å; L152-P177 WeakPolarHBondContact O-CG 3.4Å; F175-P177 HydrophobicContact CD2-CG 4.16Å; F175-P177 HydrophobicContact CE2-CG 4.13Å; P177-R179 PolarHBondContact O-N 3.41Å; P177-I180 HydrophobicContact CB-CB 4.25Å; P177-I180 HydrophobicContact CG-CD1 4.18Å; P177-I180 WeakPolarHBondContact O-CG2 3.48Å; P177-I180 PolarHBondContact O-N 3.37Å
178	V	93.7	Very high	96.5	Very high	62 Å²	62	45.2 Å²	45.2	38%	0.376	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	134.6	178.3	174.3	0	0	0	0	109.6	I180 A201 N203	V178-I180 PolarHBondContact O-N 2.98Å; V178-A201 HydrophobicContact CG2-CB 3.82Å; V178-N203 HydrophobicContact CG1-CB 4.35Å
179	R	92.7	Very high	96.5	Very high	156 Å²	156	46.9 Å²	46.9	59%	0.589	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	13.8	179.1	-65.3	-179.3	-61.3	-103.1	2.2	116	P177 F181 Q182 N203 A206	P177-R179 PolarHBondContact O-N 3.41Å; R179-F181 PolarHBondContact O-N 3.21Å; R179-F181 VanDerWaalsContact O-N 3.08Å; R179-Q182 HydrophobicContact CB-CB 4.11Å; R179-Q182 WeakPolarHBondContact O-CB 3.49Å; R179-Q182 PolarHBondContact O-N 3.37Å; R179-N203 PolarHBondContact N-O 3.2Å; R179-A206 HydrophobicContact CG-CB 4.45Å
180	I	96.1	Very high	96.5	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.8	175.9	-166.7	-179.6	0	0	0	112.7	L152 F157 V176 P177 V178	L152-I180 HydrophobicContact CB-CD1 3.5Å; L152-I180 HydrophobicContact CD1-CD1 3.86Å; L152-I180 HydrophobicContact CG-CD1 4.29Å; F157-I180 HydrophobicContact CD2-CD1 3.92Å; F157-I180 HydrophobicContact CD2-CG1 3.91Å; F157-I180 HydrophobicContact CE2-CD1 3.94Å; F157-I180 HydrophobicContact CE2-CG1 4.44Å; V176-I180 HydrophobicContact CG1-CG2 3.9Å; P177-I180 HydrophobicContact CB-CB 4.25Å; P177-I180 HydrophobicContact CG-CD1 4.18Å; P177-I180 WeakPolarHBondContact O-CG2 3.48Å; P177-I180 PolarHBondContact O-N 3.37Å; V178-I180 PolarHBondContact O-N 2.98Å
181	F	95.9	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11.3	178.9	-54.3	-61.5	0	0	0	114.8	F157 L166 M168 V176 R179 D183 C184 L190 I192 F205 A206 L208	F157-F181 HydrophobicContact CD2-CD1 4.04Å; F157-F181 AromaticContact CD2-CE1 3.74Å; F157-F181 HydrophobicContact CD2-CE1 3.74Å; F157-F181 AromaticContact CE2-CE1 3.83Å; F157-F181 HydrophobicContact CE2-CE1 3.83Å; L166-F181 HydrophobicContact CD2-CD1 4.35Å; L166-F181 HydrophobicContact CD2-CE1 3.6Å; L166-F181 HydrophobicContact CD2-CZ 4.46Å; M168-F181 HydrophobicContact CE-CE1 4.31Å; M168-F181 HydrophobicContact CE-CZ 3.96Å; V176-F181 HydrophobicContact CG1-CE2 3.81Å; V176-F181 HydrophobicContact CG1-CZ 4.5Å; R179-F181 PolarHBondContact O-N 3.21Å; R179-F181 VanDerWaalsContact O-N 3.08Å; F181-D183 PolarHBondContact O-N 3.39Å; F181-C184 HydrophobicContact CB-CB 4.32Å; F181-C184 WeakPolarHBondContact O-CB 3.19Å; F181-C184 PolarHBondContact O-N 2.78Å; F181-L190 HydrophobicContact CD2-CD2 4.39Å; F181-L190 HydrophobicContact CE1-CD1 4.4Å; F181-L190 HydrophobicContact CE2-CD2 3.93Å; F181-L190 HydrophobicContact CZ-CD1 4.21Å; F181-L190 HydrophobicContact CZ-CD2 4.01Å; F181-I192 HydrophobicContact CE2-CD1 4.36Å; F181-I192 HydrophobicContact CZ-CD1 4.1Å; F181-F205 HydrophobicContact CD2-CD1 4.18Å; F181-F205 HydrophobicContact CE2-CD1 4.11Å; F181-F205 HydrophobicContact CE2-CE1 4.22Å; F181-A206 CarbonylContact C-O 3Å; F181-A206 VanDerWaalsContact C-O 3.29Å; F181-L208 HydrophobicContact CB-CD1 4.13Å; F181-L208 HydrophobicContact CB-CD2 3.65Å; F181-L208 HydrophobicContact CB-CG 3.81Å; F181-L208 HydrophobicContact CD2-CD1 4.05Å; F181-L208 HydrophobicContact CG-CD1 4.18Å; F181-L208 HydrophobicContact CG-CD2 4.25Å; F181-L208 HydrophobicContact CG-CG 4.39Å
182	Q	94.9	Very high	96.5	Very high	75 Å²	75	43.3 Å²	43.3	35%	0.35	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-35.2	-172	-177.9	66.2	35.8	0	0	113.7	R179 A206	R179-Q182 HydrophobicContact CB-CB 4.11Å; R179-Q182 WeakPolarHBondContact O-CB 3.49Å; R179-Q182 PolarHBondContact O-N 3.37Å; Q182-A206 WeakPolarHBondContact CA-O 3.18Å; Q182-A206 PolarHBondContact N-O 2.84Å
183	D	95.8	Very high	96.5	Very high	25 Å²	25	42.3 Å²	42.3	13%	0.134	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-11.1	-179.7	-85.7	-11.8	0	0	0	114.4	H158 G159 R161 F181 R185	H158-D183 IonicContact CD2-OD2 3.79Å; H158-D183 IonicContact CG-OD2 3.15Å; H158-D183 IonicContact NE2-OD2 3.29Å; G159-D183 PolarHBondContact N-OD2 3.5Å; R161-D183 WeakPolarHBondContact CA-O 3.4Å; F181-D183 PolarHBondContact O-N 3.39Å; D183-R185 PolarHBondContact O-N 3.04Å
184	C	96.4	Very high	96.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.207	C	C	.	.			trans	-78.5	50	-176.6	-65.7	0	0	0	0	112.5	F181 S186 L187 L208	F181-C184 HydrophobicContact CB-CB 4.32Å; F181-C184 WeakPolarHBondContact O-CB 3.19Å; F181-C184 PolarHBondContact O-N 2.78Å; C184-S186 PolarHBondContact O-N 3.19Å; C184-S186 VanDerWaalsContact O-N 3.1Å; C184-L187 HydrophobicContact CB-CB 4.26Å; C184-L187 WeakPolarHBondContact O-CB 3.25Å; C184-L187 PolarHBondContact O-N 2.98Å; C184-L187 VanDerWaalsContact O-N 3.12Å; C184-L208 HydrophobicContact CB-CD2 4.03Å
185	R	95.2	Very high	96.7	Very high	125 Å²	125	41.5 Å²	41.5	47%	0.472	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.3	-170.8	-57.9	-177.3	-172.8	-178.6	2.1	115.1	D183 F209	D183-R185 PolarHBondContact O-N 3.04Å; R185-F209 HydrophobicContact CG-CD2 4.37Å; R185-F209 HydrophobicContact CG-CE2 4.39Å
186	S	97.4	Very high	96.8	Very high	33 Å²	33	40.3 Å²	40.3	23%	0.231	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.2	178.8	-58.6	0	0	0	0	113.8	R161 L163 C184 K188	R161-S186 VanDerWaalsContact O-CB 3.23Å; R161-S186 WeakPolarHBondContact O-CB 3.24Å; R161-S186 PolarHBondContact O-OG 3.38Å; L163-S186 CarbonylContact O-C 3.23Å; L163-S186 WeakPolarHBondContact O-CB 3.28Å; C184-S186 PolarHBondContact O-N 3.19Å; C184-S186 VanDerWaalsContact O-N 3.1Å; S186-K188 PolarHBondContact O-N 3.32Å
187	L	98.1	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.179	C	C	.	.			trans	-67	131.1	-174.2	-162.6	74.6	0	0	0	109.8	L163 L166 C184 L190 L208 K210 L211	L163-L187 HydrophobicContact CB-CD1 4.32Å; L163-L187 HydrophobicContact CD2-CD1 3.92Å; L163-L187 HydrophobicContact CG-CD1 3.75Å; L163-L187 VanDerWaalsContact O-CA 3.23Å; L163-L187 WeakPolarHBondContact O-CA 3.44Å; L163-L187 PolarHBondContact O-N 2.76Å; L166-L187 HydrophobicContact CB-CD1 3.9Å; C184-L187 HydrophobicContact CB-CB 4.26Å; C184-L187 WeakPolarHBondContact O-CB 3.25Å; C184-L187 PolarHBondContact O-N 2.98Å; C184-L187 VanDerWaalsContact O-N 3.12Å; L187-L190 HydrophobicContact CD2-CB 4.03Å; L187-L190 HydrophobicContact CD2-CD1 4.37Å; L187-L190 HydrophobicContact CD2-CD2 4.33Å; L187-L190 HydrophobicContact CD2-CG 4.49Å; L187-L208 HydrophobicContact CB-CD2 3.81Å; L187-L208 HydrophobicContact CD2-CD1 4.39Å; L187-L208 HydrophobicContact CD2-CD2 3.51Å; L187-L208 HydrophobicContact CG-CD2 4.28Å; L187-K210 CarbonylContact O-C 3.29Å; L187-L211 HydrophobicContact CD2-CD1 4.15Å; L187-L211 HydrophobicContact CG-CD1 4.24Å; L187-L211 VanDerWaalsContact O-CA 3.27Å; L187-L211 WeakPolarHBondContact O-CA 3.1Å; L187-L211 PolarHBondContact O-N 3.34Å
188	K	98.2	Very high	96.8	Very high	113 Å²	113	46.1 Å²	46.1	49%	0.491	21%	0.205	S	C	.	.			trans	-113	-36.9	-179.4	-64.5	-175.5	178.4	-176	0	111.7	T164 S186 T212 E213	T164-K188 PolarHBondContact O-N 3.5Å; S186-K188 PolarHBondContact O-N 3.32Å; K188-T212 PolarHBondContact O-N 2.99Å; K188-T212 PolarHBondContact O-OG1 3.47Å; K188-E213 PolarHBondContact O-N 3.36Å; K188-E213 VanDerWaalsContact O-N 3.12Å
189	F	98.7	Very high	96.9	Very high	36 Å²	36	47.3 Å²	47.3	16%	0.158	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.9	-177.7	-177.6	-86.2	0	0	0	110.1	T164 T165 L166 H167 D191 E213 H215	T164-F189 PolarHBondContact O-N 2.96Å; T164-F189 VanDerWaalsContact O-N 3.14Å; T165-F189 HydrophobicContact CG2-CB 4.15Å; L166-F189 PolarHBondContact N-O 3.32Å; H167-F189 AromaticContact CE1-CD1 3.61Å; H167-F189 AromaticContact CE1-CE1 3.25Å; H167-F189 WeakPolarHBondContact CE1-CE1 3.25Å; H167-F189 AromaticContact ND1-CE1 3.43Å; H167-F189 WeakPolarHBondContact ND1-CE1 3.43Å; F189-D191 HydrophobicContact CE1-CB 3.53Å; F189-D191 HydrophobicContact CZ-CB 3.92Å; F189-E213 HydrophobicContact CD2-CB 3.91Å; F189-E213 HydrophobicContact CD2-CG 3.83Å; F189-E213 HydrophobicContact CE2-CB 4.41Å; F189-E213 HydrophobicContact CE2-CG 3.81Å; F189-H215 AromaticContact CE2-NE2 3.91Å
190	L	98.6	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	117.2	176.5	178	55.7	0	0	0	109.7	L166 M168 F181 L187 I192 F205 L208 L211 E213 L214 H215	L166-L190 HydrophobicContact CB-CD1 4.05Å; L166-L190 HydrophobicContact CD2-CD1 3.85Å; L166-L190 HydrophobicContact CG-CD1 4Å; M168-L190 HydrophobicContact CE-CD1 4.13Å; F181-L190 HydrophobicContact CD2-CD2 4.39Å; F181-L190 HydrophobicContact CE1-CD1 4.4Å; F181-L190 HydrophobicContact CE2-CD2 3.93Å; F181-L190 HydrophobicContact CZ-CD1 4.21Å; F181-L190 HydrophobicContact CZ-CD2 4.01Å; L187-L190 HydrophobicContact CD2-CB 4.03Å; L187-L190 HydrophobicContact CD2-CD1 4.37Å; L187-L190 HydrophobicContact CD2-CD2 4.33Å; L187-L190 HydrophobicContact CD2-CG 4.49Å; L190-I192 HydrophobicContact CD1-CD1 3.97Å; L190-I192 HydrophobicContact CD1-CG1 3.79Å; L190-I192 HydrophobicContact CD2-CD1 4.06Å; L190-I192 HydrophobicContact CD2-CG1 4.47Å; L190-I192 HydrophobicContact CG-CD1 4.05Å; L190-I192 HydrophobicContact CG-CG1 3.91Å; L190-F205 HydrophobicContact CD2-CD1 3.97Å; L190-F205 HydrophobicContact CD2-CE1 3.9Å; L190-L208 HydrophobicContact CD2-CD1 3.76Å; L190-L211 HydrophobicContact CB-CD1 3.7Å; L190-E213 PolarHBondContact N-O 3.47Å; L190-E213 VanDerWaalsContact N-O 3.12Å; L190-L214 HydrophobicContact CB-CD1 4.07Å; L190-L214 HydrophobicContact CD2-CD1 3.91Å; L190-L214 HydrophobicContact CG-CD1 3.93Å; L190-H215 PolarHBondContact O-N 3.47Å
191	D	98.6	Very high	96.6	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.2	174.6	-177.8	-1.9	0	0	0	111.1	L166 M168 R169 F189 G193 H215	L166-D191 PolarHBondContact O-N 3.41Å; M168-D191 CarbonylContact C-O 3.52Å; M168-D191 WeakPolarHBondContact CA-O 3.46Å; M168-D191 PolarHBondContact N-O 3.47Å; R169-D191 IonicContact NH1-OD1 3.62Å; R169-D191 PolarHBondContact NH1-OD1 3.07Å; R169-D191 IonicContact NH1-OD2 3.14Å; R169-D191 PolarHBondContact NH1-OD2 2.89Å; F189-D191 HydrophobicContact CE1-CB 3.53Å; F189-D191 HydrophobicContact CZ-CB 3.92Å; D191-G193 PolarHBondContact OD1-N 3.04Å; D191-H215 HydrophobicContact CB-CB 4.08Å
192	I	97.9	Very high	96.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.241	C	C	.	.			trans	-124.2	27.4	172.5	-37.5	-176.5	0	0	0	109.2	M168 I173 V176 F181 L190 N195 L197 F205 H215 L216 N219	M168-I192 HydrophobicContact CE-CD1 3.68Å; M168-I192 HydrophobicContact CE-CG1 3.78Å; I173-I192 HydrophobicContact CD1-CG2 4.33Å; V176-I192 HydrophobicContact CG2-CD1 4.27Å; F181-I192 HydrophobicContact CE2-CD1 4.36Å; F181-I192 HydrophobicContact CZ-CD1 4.1Å; L190-I192 HydrophobicContact CD1-CD1 3.97Å; L190-I192 HydrophobicContact CD1-CG1 3.79Å; L190-I192 HydrophobicContact CD2-CD1 4.06Å; L190-I192 HydrophobicContact CD2-CG1 4.47Å; L190-I192 HydrophobicContact CG-CD1 4.05Å; L190-I192 HydrophobicContact CG-CG1 3.91Å; I192-N195 PolarHBondContact O-ND2 3.29Å; I192-N195 VanDerWaalsContact O-ND2 3.14Å; I192-L197 HydrophobicContact CG2-CD1 4.03Å; I192-F205 HydrophobicContact CD1-CE1 4.23Å; I192-H215 CarbonylContact C-O 3.53Å; I192-H215 PolarHBondContact N-O 3.13Å; I192-L216 HydrophobicContact CB-CD2 4.3Å; I192-N219 PolarHBondContact O-ND2 3.39Å
193	G	98.1	Very high	95.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.24	C	C	.	.			trans	-69.7	160	175.7	0	0	0	0	0	112.4	R169 S170 D191 N195 H215 E217	R169-G193 CarbonylContact C-O 3.42Å; R169-G193 VanDerWaalsContact CA-O 3.28Å; R169-G193 WeakPolarHBondContact CA-O 3.35Å; S170-G193 PolarHBondContact N-O 2.73Å; D191-G193 PolarHBondContact OD1-N 3.04Å; G193-N195 PolarHBondContact O-ND2 3.24Å; G193-N195 VanDerWaalsContact O-ND2 3.16Å; G193-H215 PolarHBondContact N-O 3.32Å; G193-E217 CarbonylContact C-O 3.13Å; G193-E217 WeakPolarHBondContact CA-O 3.48Å
194	Y	98.4	Very high	95.6	Very high	88 Å²	88	49.5 Å²	49.5	35%	0.345	23%	0.234	S	C	.	.	S	Bend	trans	56.1	52.6	-179.7	-66.8	-109.8	0	0	0	111.6	R169 S170 N171 E217 H218	R169-Y194 HydrophobicContact CG-CD2 4.47Å; R169-Y194 VanDerWaalsContact CZ-CD2 3.48Å; R169-Y194 VanDerWaalsContact NH2-CD2 3.33Å; S170-Y194 WeakPolarHBondContact CA-O 3.26Å; S170-Y194 PolarHBondContact N-O 3Å; S170-Y194 WeakPolarHBondContact OG-CB 3.42Å; N171-Y194 PolarHBondContact N-O 2.94Å; Y194-E217 HydrophobicContact CD2-CG 4.25Å; Y194-E217 HydrophobicContact CE2-CG 3.92Å; Y194-E217 PolarHBondContact N-O 3.11Å; Y194-H218 WeakPolarHBondContact CA-O 3.45Å; Y194-H218 HydrophobicContact CD1-CB 3.91Å; Y194-H218 HydrophobicContact CD2-CB 3.69Å; Y194-H218 HydrophobicContact CE1-CB 4.12Å; Y194-H218 AromaticContact CE1-CD2 3.87Å; Y194-H218 AromaticContact CE1-CE1 3.96Å; Y194-H218 AromaticContact CE1-CG 3.75Å; Y194-H218 AromaticContact CE1-ND1 3.87Å; Y194-H218 HydrophobicContact CE2-CB 3.81Å; Y194-H218 AromaticContact CE2-CD2 3.24Å; Y194-H218 WeakPolarHBondContact CE2-CD2 3.31Å; Y194-H218 AromaticContact CE2-CG 3.64Å; Y194-H218 AromaticContact CE2-NE2 3.94Å; Y194-H218 HydrophobicContact CG-CB 3.72Å; Y194-H218 AromaticContact CZ-CD2 3.19Å; Y194-H218 AromaticContact CZ-CE1 3.84Å; Y194-H218 AromaticContact CZ-CG 3.55Å; Y194-H218 AromaticContact CZ-ND1 3.97Å; Y194-H218 AromaticContact CZ-NE2 3.4Å; Y194-H218 PolarHBondContact N-O 3.12Å; Y194-H218 PolarHBondContact OH-CD2 3.41Å; Y194-H218 VanDerWaalsContact OH-CD2 3.29Å; Y194-H218 PolarHBondContact OH-NE2 3.49Å
195	N	98.6	Very high	95.4	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.048	24%	0.235	C	C	.	.	S	Bend	trans	-125.2	-167.2	175.1	-85.1	-78.2	0	0	0	109.2	M168 N171 I173 I192 G193 L197 H218 N219	M168-N195 PolarHBondContact O-ND2 3.45Å; N171-N195 WeakPolarHBondContact CA-OD1 3.14Å; N171-N195 WeakPolarHBondContact CB-OD1 3.24Å; N171-N195 PolarHBondContact O-OD1 3.07Å; I173-N195 HydrophobicContact CB-CB 4.33Å; I173-N195 VanDerWaalsContact CB-OD1 3.27Å; I173-N195 WeakPolarHBondContact CB-OD1 3.15Å; I173-N195 WeakPolarHBondContact CG1-OD1 3.28Å; I173-N195 PolarHBondContact N-OD1 2.77Å; I192-N195 PolarHBondContact O-ND2 3.29Å; I192-N195 VanDerWaalsContact O-ND2 3.14Å; G193-N195 PolarHBondContact O-ND2 3.24Å; G193-N195 VanDerWaalsContact O-ND2 3.16Å; N195-L197 HydrophobicContact CB-CG 4.36Å; N195-H218 PolarHBondContact N-O 2.91Å; N195-N219 VanDerWaalsContact CA-OD1 3.29Å; N195-N219 WeakPolarHBondContact CA-OD1 3.4Å; N195-N219 WeakPolarHBondContact CB-OD1 3.05Å; N195-N219 PolarHBondContact N-OD1 2.76Å; N195-N219 PolarHBondContact O-OD1 2.82Å
196	Q	97.6	Very high	95.3	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	22%	0.218	S	C	.	.			trans	-118.1	34.2	-177.1	-61.7	177.6	-1.6	0	0	111.1	I173 K174 K198 N219	I173-Q196 CarbonylContact O-C 3.47Å; I173-Q196 VanDerWaalsContact O-C 3.3Å; I173-Q196 WeakPolarHBondContact O-CA 3.44Å; I173-Q196 PolarHBondContact O-N 2.64Å; K174-Q196 HydrophobicContact CG-CB 4.27Å; Q196-K198 PolarHBondContact O-N 2.93Å; Q196-N219 PolarHBondContact N-OD1 3.06Å
197	L	97.4	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.			trans	-70.5	117.7	-177.7	-60.9	176.7	0	0	0	110.2	I173 V176 I192 N195 L200 L216 N219 D220 L221	I173-L197 HydrophobicContact CG2-CD2 4.02Å; I173-L197 PolarHBondContact O-N 2.82Å; V176-L197 HydrophobicContact CG2-CD1 4.08Å; V176-L197 HydrophobicContact CG2-CD2 3.87Å; I192-L197 HydrophobicContact CG2-CD1 4.03Å; N195-L197 HydrophobicContact CB-CG 4.36Å; L197-L200 HydrophobicContact CD1-CD2 4.49Å; L197-L216 HydrophobicContact CD1-CD2 3.96Å; L197-N219 HydrophobicContact CB-CB 4.09Å; L197-N219 VanDerWaalsContact CB-OD1 3.27Å; L197-N219 WeakPolarHBondContact CB-OD1 3.25Å; L197-N219 VanDerWaalsContact CG-OD1 3.25Å; L197-N219 WeakPolarHBondContact CG-OD1 3.17Å; L197-N219 PolarHBondContact N-OD1 3.4Å; L197-D220 CarbonylContact O-C 3.34Å; L197-D220 VanDerWaalsContact O-CA 3.3Å; L197-D220 WeakPolarHBondContact O-CA 3.23Å; L197-D220 PolarHBondContact O-N 3.11Å; L197-L221 HydrophobicContact CB-CD2 4.17Å; L197-L221 PolarHBondContact O-N 3.01Å; L197-L221 VanDerWaalsContact O-N 3.15Å
198	K	95.4	Very high	94.8	Very high	148 Å²	148	43 Å²	43	64%	0.643	21%	0.209	S	C	*	.			trans	-91.3	-29.4	178	-63.5	-174.7	178.9	-174.3	0	113.5	Q196 D220	Q196-K198 PolarHBondContact O-N 2.93Å; K198-D220 HydrophobicContact CG-CB 4.12Å
199	S	94.1	Very high	94.5	Very high	86 Å²	86	41.6 Å²	41.6	60%	0.601	20%	0.203	S	C	*	.			trans	-152.5	162.3	-179	63.6	0	0	0	0	110.9
200	L	93.3	Very high	94.4	Very high	18 Å²	18	45.2 Å²	45.2	9%	0.094	22%	0.219	C	C	.	.			trans	-116.5	128.4	174	-62.2	172.6	0	0	0	108.3	L197 F205 L216 L221 H228 F229	L197-L200 HydrophobicContact CD1-CD2 4.49Å; L200-F205 HydrophobicContact CD1-CE2 4.12Å; L200-F205 HydrophobicContact CD2-CE2 3.91Å; L200-F205 HydrophobicContact CD2-CZ 4.09Å; L200-F205 HydrophobicContact CG-CE2 4.49Å; L200-L216 HydrophobicContact CD1-CD1 4.07Å; L200-L221 HydrophobicContact CD1-CD1 4.2Å; L200-L221 HydrophobicContact CD1-CD2 4.48Å; L200-L221 HydrophobicContact CD2-CD2 4.36Å; L200-L221 HydrophobicContact CG-CD1 4.47Å; L200-L221 HydrophobicContact CG-CD2 3.91Å; L200-H228 HydrophobicContact CB-CB 4.48Å; L200-H228 PolarHBondContact O-CE1 3.08Å; L200-H228 PolarHBondContact O-ND1 3.29Å; L200-F229 HydrophobicContact CD1-CE1 3.94Å; L200-F229 HydrophobicContact CD1-CE2 4.46Å; L200-F229 HydrophobicContact CD1-CZ 3.55Å
201	A	90.9	Very high	94.3	Very high	44 Å²	44	45.2 Å²	45.2	36%	0.364	22%	0.219	S	C	.	.			trans	-79.5	152	174.3	0	0	0	0	0	110.4	V178 N203 S204	V178-A201 HydrophobicContact CG2-CB 3.82Å; A201-N203 PolarHBondContact O-N 3Å; A201-S204 WeakPolarHBondContact CB-OG 3.47Å; A201-S204 PolarHBondContact N-OG 3.34Å; A201-S204 WeakPolarHBondContact O-CB 3.49Å; A201-S204 PolarHBondContact O-N 2.9Å; A201-S204 VanDerWaalsContact O-N 3.15Å; A201-S204 PolarHBondContact O-OG 3.32Å
202	R	85.4	Confident	94.2	Very high	181 Å²	181	47 Å²	47	68%	0.683	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	133	171.1	-166.3	176.9	-176.6	173.2	2.5	108.7	S204	R202-S204 VanDerWaalsContact C-N 3.29Å; R202-S204 PolarHBondContact O-N 3.21Å
203	N	87.3	Confident	94.2	Very high	63 Å²	63	50.1 Å²	50.1	34%	0.337	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	15.2	-178.1	-49	-52.2	0	0	0	115.7	V178 R179 A201 F205 A206 P230	V178-N203 HydrophobicContact CG1-CB 4.35Å; R179-N203 PolarHBondContact N-O 3.2Å; A201-N203 PolarHBondContact O-N 3Å; N203-F205 PolarHBondContact O-N 3.33Å; N203-A206 HydrophobicContact CB-CB 4.03Å; N203-A206 WeakPolarHBondContact O-CB 3.36Å; N203-A206 PolarHBondContact O-N 3.34Å; N203-P230 VanDerWaalsContact OD1-CG 3.22Å; N203-P230 WeakPolarHBondContact OD1-CG 3.31Å
204	S	91.9	Very high	94.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.4	169.5	-72.9	0	0	0	0	112.1	V176 A201 R202	V176-S204 PolarHBondContact O-OG 3.03Å; V176-S204 VanDerWaalsContact O-OG 3.05Å; A201-S204 WeakPolarHBondContact CB-OG 3.47Å; A201-S204 PolarHBondContact N-OG 3.34Å; A201-S204 WeakPolarHBondContact O-CB 3.49Å; A201-S204 PolarHBondContact O-N 2.9Å; A201-S204 VanDerWaalsContact O-N 3.15Å; A201-S204 PolarHBondContact O-OG 3.32Å; R202-S204 VanDerWaalsContact C-N 3.29Å; R202-S204 PolarHBondContact O-N 3.21Å
205	F	93.6	Very high	94.2	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	19.8	179.4	-59.3	-70.9	0	0	0	114	F181 L190 I192 L200 N203 L208 L214 L216 F229 L232	F181-F205 HydrophobicContact CD2-CD1 4.18Å; F181-F205 HydrophobicContact CE2-CD1 4.11Å; F181-F205 HydrophobicContact CE2-CE1 4.22Å; L190-F205 HydrophobicContact CD2-CD1 3.97Å; L190-F205 HydrophobicContact CD2-CE1 3.9Å; I192-F205 HydrophobicContact CD1-CE1 4.23Å; L200-F205 HydrophobicContact CD1-CE2 4.12Å; L200-F205 HydrophobicContact CD2-CE2 3.91Å; L200-F205 HydrophobicContact CD2-CZ 4.09Å; L200-F205 HydrophobicContact CG-CE2 4.49Å; N203-F205 PolarHBondContact O-N 3.33Å; F205-L208 HydrophobicContact CB-CD1 4.04Å; F205-L208 HydrophobicContact CD1-CD1 3.93Å; F205-L208 HydrophobicContact CG-CD1 4.48Å; F205-L208 WeakPolarHBondContact O-CB 3.38Å; F205-L208 WeakPolarHBondContact O-CG 3.27Å; F205-L214 HydrophobicContact CE1-CD1 4.1Å; F205-L214 HydrophobicContact CE1-CD2 4.42Å; F205-L214 HydrophobicContact CZ-CD2 4.38Å; F205-L216 HydrophobicContact CZ-CD1 4.28Å; F205-L216 HydrophobicContact CZ-CD2 4.18Å; F205-F229 AromaticContact CD2-CD1 3.69Å; F205-F229 HydrophobicContact CD2-CD1 3.69Å; F205-F229 AromaticContact CD2-CE1 3.79Å; F205-F229 HydrophobicContact CD2-CE1 3.79Å; F205-F229 HydrophobicContact CE2-CD1 4.03Å; F205-F229 AromaticContact CE2-CE1 3.62Å; F205-F229 HydrophobicContact CE2-CE1 3.62Å; F205-L232 HydrophobicContact CB-CD1 4.45Å; F205-L232 HydrophobicContact CB-CD2 4.3Å
206	A	91.7	Very high	94.2	Very high	15 Å²	15	47.1 Å²	47.1	12%	0.124	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	142.5	178.4	0	0	0	0	0	111.9	R179 F181 Q182 N203	R179-A206 HydrophobicContact CG-CB 4.45Å; F181-A206 CarbonylContact C-O 3Å; F181-A206 VanDerWaalsContact C-O 3.29Å; Q182-A206 WeakPolarHBondContact CA-O 3.18Å; Q182-A206 PolarHBondContact N-O 2.84Å; N203-A206 HydrophobicContact CB-CB 4.03Å; N203-A206 WeakPolarHBondContact O-CB 3.36Å; N203-A206 PolarHBondContact O-N 3.34Å
207	G	91.1	Very high	94.2	Very high	4 Å²	4	43.9 Å²	43.9	4%	0.041	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	-13.6	-178.9	0	0	0	0	0	114.9	F209	G207-F209 WeakPolarHBondContact O-CD2 3.33Å; G207-F209 WeakPolarHBondContact O-CE2 3.11Å; G207-F209 PolarHBondContact O-N 2.96Å
208	L	94.8	Very high	94.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.23	C	C	.	.			trans	-81.5	53	-176	-64.2	-172.3	0	0	0	113.9	F181 C184 L187 L190 F205 K210 L211 L232	F181-L208 HydrophobicContact CB-CD1 4.13Å; F181-L208 HydrophobicContact CB-CD2 3.65Å; F181-L208 HydrophobicContact CB-CG 3.81Å; F181-L208 HydrophobicContact CD2-CD1 4.05Å; F181-L208 HydrophobicContact CG-CD1 4.18Å; F181-L208 HydrophobicContact CG-CD2 4.25Å; F181-L208 HydrophobicContact CG-CG 4.39Å; C184-L208 HydrophobicContact CB-CD2 4.03Å; L187-L208 HydrophobicContact CB-CD2 3.81Å; L187-L208 HydrophobicContact CD2-CD1 4.39Å; L187-L208 HydrophobicContact CD2-CD2 3.51Å; L187-L208 HydrophobicContact CG-CD2 4.28Å; L190-L208 HydrophobicContact CD2-CD1 3.76Å; F205-L208 HydrophobicContact CB-CD1 4.04Å; F205-L208 HydrophobicContact CD1-CD1 3.93Å; F205-L208 HydrophobicContact CG-CD1 4.48Å; F205-L208 WeakPolarHBondContact O-CB 3.38Å; F205-L208 WeakPolarHBondContact O-CG 3.27Å; L208-K210 VanDerWaalsContact C-N 3.28Å; L208-K210 PolarHBondContact O-N 3.07Å; L208-L211 HydrophobicContact CB-CB 4.01Å; L208-L211 HydrophobicContact CB-CD2 4.38Å; L208-L211 HydrophobicContact CD1-CD2 3.93Å; L208-L211 WeakPolarHBondContact O-CB 3.29Å; L208-L211 PolarHBondContact O-N 3.13Å; L208-L232 HydrophobicContact CB-CD2 3.66Å
209	F	92	Very high	94.4	Very high	84 Å²	84	39.6 Å²	39.6	37%	0.368	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.3	-172.8	-52.8	-66.3	0	0	0	114.8	R185 G207 S234	R185-F209 HydrophobicContact CG-CD2 4.37Å; R185-F209 HydrophobicContact CG-CE2 4.39Å; G207-F209 WeakPolarHBondContact O-CD2 3.33Å; G207-F209 WeakPolarHBondContact O-CE2 3.11Å; G207-F209 PolarHBondContact O-N 2.96Å; F209-S234 WeakPolarHBondContact O-CB 3.28Å; F209-S234 PolarHBondContact O-OG 2.79Å
210	K	95.7	Very high	94.6	Very high	113 Å²	113	37.6 Å²	37.6	49%	0.491	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	6.4	-178.8	-69.8	-170.3	179.5	177	0	113.5	L187 L208 T212	L187-K210 CarbonylContact O-C 3.29Å; L208-K210 VanDerWaalsContact C-N 3.28Å; L208-K210 PolarHBondContact O-N 3.07Å; K210-T212 PolarHBondContact O-N 3.3Å
211	L	96.9	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.			trans	-66.6	124.3	-177.2	-168.6	76.1	0	0	0	109.5	L187 L190 L208 L214 L232 S234 L235	L187-L211 HydrophobicContact CD2-CD1 4.15Å; L187-L211 HydrophobicContact CG-CD1 4.24Å; L187-L211 VanDerWaalsContact O-CA 3.27Å; L187-L211 WeakPolarHBondContact O-CA 3.1Å; L187-L211 PolarHBondContact O-N 3.34Å; L190-L211 HydrophobicContact CB-CD1 3.7Å; L208-L211 HydrophobicContact CB-CB 4.01Å; L208-L211 HydrophobicContact CB-CD2 4.38Å; L208-L211 HydrophobicContact CD1-CD2 3.93Å; L208-L211 WeakPolarHBondContact O-CB 3.29Å; L208-L211 PolarHBondContact O-N 3.13Å; L211-L214 HydrophobicContact CD2-CB 4.04Å; L211-L214 HydrophobicContact CD2-CD1 4.41Å; L211-L214 HydrophobicContact CD2-CD2 4.45Å; L211-L232 HydrophobicContact CD2-CD1 4.22Å; L211-L232 HydrophobicContact CD2-CD2 4.3Å; L211-S234 CarbonylContact O-C 3.5Å; L211-L235 HydrophobicContact CD2-CD1 4.07Å; L211-L235 HydrophobicContact CG-CD1 4.18Å; L211-L235 VanDerWaalsContact O-CA 3.27Å; L211-L235 WeakPolarHBondContact O-CA 3.45Å; L211-L235 PolarHBondContact O-N 3.46Å; L211-L235 VanDerWaalsContact O-N 3.13Å
212	T	97	Very high	95	Very high	48 Å²	48	38.2 Å²	38.2	29%	0.294	18%	0.183	S	C	.	.			trans	-104.1	-29.8	-179.9	55.3	0	0	0	0	112	K188 K210 S234 H236 S237	K188-T212 PolarHBondContact O-N 2.99Å; K188-T212 PolarHBondContact O-OG1 3.47Å; K210-T212 PolarHBondContact O-N 3.3Å; T212-S234 WeakPolarHBondContact CA-O 3.22Å; T212-H236 PolarHBondContact O-N 3.09Å; T212-S237 PolarHBondContact O-N 3.27Å
213	E	98.1	Very high	95.5	Very high	65 Å²	65	35 Å²	35	30%	0.304	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	128.1	-174	-177.3	161.9	-161.6	0	0	111	K188 F189 L190 H215 S237	K188-E213 PolarHBondContact O-N 3.36Å; K188-E213 VanDerWaalsContact O-N 3.12Å; F189-E213 HydrophobicContact CD2-CB 3.91Å; F189-E213 HydrophobicContact CD2-CG 3.83Å; F189-E213 HydrophobicContact CE2-CB 4.41Å; F189-E213 HydrophobicContact CE2-CG 3.81Å; L190-E213 PolarHBondContact N-O 3.47Å; L190-E213 VanDerWaalsContact N-O 3.12Å; E213-H215 VanDerWaalsContact CD-NE2 3.35Å; E213-H215 WeakPolarHBondContact CG-NE2 3.47Å; E213-H215 IonicContact OE1-CD2 3.78Å; E213-H215 IonicContact OE1-CE1 2.76Å; E213-H215 IonicContact OE1-NE2 3.31Å; E213-H215 PolarHBondContact OE1-NE2 2.97Å; E213-S237 WeakPolarHBondContact CA-O 3.25Å
214	L	97.9	Very high	95.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.5	-179.5	179.4	56.6	0	0	0	110.3	L190 F205 L211 L216 F229 L232 L235 S237 L238 C239	L190-L214 HydrophobicContact CB-CD1 4.07Å; L190-L214 HydrophobicContact CD2-CD1 3.91Å; L190-L214 HydrophobicContact CG-CD1 3.93Å; F205-L214 HydrophobicContact CE1-CD1 4.1Å; F205-L214 HydrophobicContact CE1-CD2 4.42Å; F205-L214 HydrophobicContact CZ-CD2 4.38Å; L211-L214 HydrophobicContact CD2-CB 4.04Å; L211-L214 HydrophobicContact CD2-CD1 4.41Å; L211-L214 HydrophobicContact CD2-CD2 4.45Å; L214-L216 HydrophobicContact CD1-CG 4.21Å; L214-L216 HydrophobicContact CD2-CD1 3.93Å; L214-L216 HydrophobicContact CD2-CG 4.48Å; L214-L216 HydrophobicContact CG-CD1 4.06Å; L214-L216 HydrophobicContact CG-CG 4.09Å; L214-F229 HydrophobicContact CD2-CD1 4Å; L214-F229 HydrophobicContact CD2-CE1 3.73Å; L214-L232 HydrophobicContact CD2-CD1 4.27Å; L214-L235 HydrophobicContact CB-CD1 3.92Å; L214-S237 PolarHBondContact N-O 3.16Å; L214-S237 VanDerWaalsContact N-O 3.07Å; L214-L238 HydrophobicContact CB-CD1 4.14Å; L214-L238 HydrophobicContact CD2-CD1 3.98Å; L214-L238 HydrophobicContact CG-CD1 4.1Å; L214-C239 PolarHBondContact O-N 3.14Å
215	H	98.6	Very high	95.8	Very high	34 Å²	34	33.4 Å²	33.4	16%	0.157	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.3	179.1	-75	-153.4	0	0	0	109.7	F189 L190 D191 I192 G193 E213 E217	F189-H215 AromaticContact CE2-NE2 3.91Å; L190-H215 PolarHBondContact O-N 3.47Å; D191-H215 HydrophobicContact CB-CB 4.08Å; I192-H215 CarbonylContact C-O 3.53Å; I192-H215 PolarHBondContact N-O 3.13Å; G193-H215 PolarHBondContact N-O 3.32Å; E213-H215 VanDerWaalsContact CD-NE2 3.35Å; E213-H215 WeakPolarHBondContact CG-NE2 3.47Å; E213-H215 IonicContact OE1-CD2 3.78Å; E213-H215 IonicContact OE1-CE1 2.76Å; E213-H215 IonicContact OE1-NE2 3.31Å; E213-H215 PolarHBondContact OE1-NE2 2.97Å; H215-E217 VanDerWaalsContact CB-OE2 3.26Å; H215-E217 WeakPolarHBondContact CB-OE2 3.41Å; H215-E217 IonicContact CG-OE2 3.88Å; H215-E217 IonicContact ND1-OE1 3.22Å; H215-E217 IonicContact ND1-OE2 3.91Å
216	L	97.9	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.			trans	-130.9	16.5	179.5	-71	170.8	0	0	0	111.2	I192 L197 L200 F205 L214 N219 F229 C239 L240 N243	I192-L216 HydrophobicContact CB-CD2 4.3Å; L197-L216 HydrophobicContact CD1-CD2 3.96Å; L200-L216 HydrophobicContact CD1-CD1 4.07Å; F205-L216 HydrophobicContact CZ-CD1 4.28Å; F205-L216 HydrophobicContact CZ-CD2 4.18Å; L214-L216 HydrophobicContact CD1-CG 4.21Å; L214-L216 HydrophobicContact CD2-CD1 3.93Å; L214-L216 HydrophobicContact CD2-CG 4.48Å; L214-L216 HydrophobicContact CG-CD1 4.06Å; L214-L216 HydrophobicContact CG-CG 4.09Å; L216-N219 PolarHBondContact O-ND2 2.88Å; L216-N219 VanDerWaalsContact O-ND2 3.14Å; L216-F229 HydrophobicContact CD1-CE1 3.98Å; L216-F229 HydrophobicContact CD1-CZ 4.1Å; L216-C239 CarbonylContact C-O 3.54Å; L216-C239 WeakPolarHBondContact CA-O 3.43Å; L216-C239 PolarHBondContact N-O 3.19Å; L216-L240 HydrophobicContact CB-CD2 3.81Å; L216-L240 HydrophobicContact CD1-CD2 3.95Å; L216-N243 PolarHBondContact O-ND2 2.69Å
217	E	98.1	Very high	95.2	Very high	15 Å²	15	33.4 Å²	33.4	7%	0.07	17%	0.166	C	C	.	.			trans	-65.7	159	-179.4	74.1	-84.2	-164.7	0	0	112.6	R169 G193 Y194 H215 N219 C239 R241	R169-E217 IonicContact CZ-OE1 3.73Å; R169-E217 IonicContact NH1-OE1 2.74Å; R169-E217 PolarHBondContact NH1-OE1 3.28Å; R169-E217 IonicContact NH2-OE1 3.99Å; R169-E217 PolarHBondContact NH2-OE1 3.19Å; R169-E217 VanDerWaalsContact NH2-OE1 3.08Å; G193-E217 CarbonylContact C-O 3.13Å; G193-E217 WeakPolarHBondContact CA-O 3.48Å; Y194-E217 HydrophobicContact CD2-CG 4.25Å; Y194-E217 HydrophobicContact CE2-CG 3.92Å; Y194-E217 PolarHBondContact N-O 3.11Å; H215-E217 VanDerWaalsContact CB-OE2 3.26Å; H215-E217 WeakPolarHBondContact CB-OE2 3.41Å; H215-E217 IonicContact CG-OE2 3.88Å; H215-E217 IonicContact ND1-OE1 3.22Å; H215-E217 IonicContact ND1-OE2 3.91Å; E217-N219 PolarHBondContact O-N 2.8Å; E217-N219 PolarHBondContact O-ND2 3.19Å; E217-C239 PolarHBondContact N-O 2.8Å; E217-R241 CarbonylContact C-O 3.57Å; E217-R241 WeakPolarHBondContact CA-O 3.25Å; E217-R241 HydrophobicContact CB-CB 3.99Å; E217-R241 WeakPolarHBondContact CB-O 3.18Å
218	H	98.3	Very high	94.9	Very high	51 Å²	51	35.4 Å²	35.4	24%	0.236	17%	0.174	C	C	.	.	S	Bend	trans	53.7	52.7	177.6	-74.2	-94.2	0	0	0	112.4	Y194 N195 R241 R242	Y194-H218 WeakPolarHBondContact CA-O 3.45Å; Y194-H218 HydrophobicContact CD1-CB 3.91Å; Y194-H218 HydrophobicContact CD2-CB 3.69Å; Y194-H218 HydrophobicContact CE1-CB 4.12Å; Y194-H218 AromaticContact CE1-CD2 3.87Å; Y194-H218 AromaticContact CE1-CE1 3.96Å; Y194-H218 AromaticContact CE1-CG 3.75Å; Y194-H218 AromaticContact CE1-ND1 3.87Å; Y194-H218 HydrophobicContact CE2-CB 3.81Å; Y194-H218 AromaticContact CE2-CD2 3.24Å; Y194-H218 WeakPolarHBondContact CE2-CD2 3.31Å; Y194-H218 AromaticContact CE2-CG 3.64Å; Y194-H218 AromaticContact CE2-NE2 3.94Å; Y194-H218 HydrophobicContact CG-CB 3.72Å; Y194-H218 AromaticContact CZ-CD2 3.19Å; Y194-H218 AromaticContact CZ-CE1 3.84Å; Y194-H218 AromaticContact CZ-CG 3.55Å; Y194-H218 AromaticContact CZ-ND1 3.97Å; Y194-H218 AromaticContact CZ-NE2 3.4Å; Y194-H218 PolarHBondContact N-O 3.12Å; Y194-H218 PolarHBondContact OH-CD2 3.41Å; Y194-H218 VanDerWaalsContact OH-CD2 3.29Å; Y194-H218 PolarHBondContact OH-NE2 3.49Å; N195-H218 PolarHBondContact N-O 2.91Å; H218-R241 PolarHBondContact N-O 3.46Å; H218-R242 WeakPolarHBondContact CA-O 3.42Å; H218-R242 WeakPolarHBondContact CE1-CD 3.49Å; H218-R242 PolarHBondContact CE1-NH1 2.98Å; H218-R242 VanDerWaalsContact CE1-NH1 3.25Å; H218-R242 PolarHBondContact N-O 3.06Å; H218-R242 WeakPolarHBondContact NE2-CD 3.14Å; H218-R242 PolarHBondContact NE2-NH1 3.26Å
219	N	98.4	Very high	94.4	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	17%	0.174	C	C	.	.	S	Bend	trans	-122.7	-172.5	170.1	-84.4	-79.6	0	0	0	108.9	I192 N195 Q196 L197 L216 E217 L221 N243	I192-N219 PolarHBondContact O-ND2 3.39Å; N195-N219 VanDerWaalsContact CA-OD1 3.29Å; N195-N219 WeakPolarHBondContact CA-OD1 3.4Å; N195-N219 WeakPolarHBondContact CB-OD1 3.05Å; N195-N219 PolarHBondContact N-OD1 2.76Å; N195-N219 PolarHBondContact O-OD1 2.82Å; Q196-N219 PolarHBondContact N-OD1 3.06Å; L197-N219 HydrophobicContact CB-CB 4.09Å; L197-N219 VanDerWaalsContact CB-OD1 3.27Å; L197-N219 WeakPolarHBondContact CB-OD1 3.25Å; L197-N219 VanDerWaalsContact CG-OD1 3.25Å; L197-N219 WeakPolarHBondContact CG-OD1 3.17Å; L197-N219 PolarHBondContact N-OD1 3.4Å; L216-N219 PolarHBondContact O-ND2 2.88Å; L216-N219 VanDerWaalsContact O-ND2 3.14Å; E217-N219 PolarHBondContact O-N 2.8Å; E217-N219 PolarHBondContact O-ND2 3.19Å; N219-L221 HydrophobicContact CB-CG 4.36Å; N219-N243 VanDerWaalsContact CA-OD1 3.28Å; N219-N243 WeakPolarHBondContact CA-OD1 3.39Å; N219-N243 WeakPolarHBondContact CB-OD1 3.18Å; N219-N243 PolarHBondContact N-OD1 3.13Å; N219-N243 WeakPolarHBondContact O-CA 3.44Å; N219-N243 PolarHBondContact O-OD1 3.24Å
220	D	97.7	Very high	93.5	Very high	44 Å²	44	32.3 Å²	32.3	24%	0.235	16%	0.162	C	C	.	.			trans	-109.5	29.5	-178.6	-69.9	-59.6	0	0	0	112.1	L197 K198 V222 K244	L197-D220 CarbonylContact O-C 3.34Å; L197-D220 VanDerWaalsContact O-CA 3.3Å; L197-D220 WeakPolarHBondContact O-CA 3.23Å; L197-D220 PolarHBondContact O-N 3.11Å; K198-D220 HydrophobicContact CG-CB 4.12Å; D220-V222 PolarHBondContact O-N 2.75Å; D220-K244 HydrophobicContact CB-CD 4.48Å; D220-K244 VanDerWaalsContact OD1-CE 3.3Å; D220-K244 WeakPolarHBondContact OD1-CE 3.22Å; D220-K244 IonicContact OD1-NZ 2.89Å; D220-K244 PolarHBondContact OD1-NZ 2.87Å
221	L	97.4	Very high	92.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	17%	0.168	C	C	.	.			trans	-67.7	125.8	-176.4	-62.3	174.8	0	0	0	110.7	L197 L200 N219 L240 N243 K244 V245	L197-L221 HydrophobicContact CB-CD2 4.17Å; L197-L221 PolarHBondContact O-N 3.01Å; L197-L221 VanDerWaalsContact O-N 3.15Å; L200-L221 HydrophobicContact CD1-CD1 4.2Å; L200-L221 HydrophobicContact CD1-CD2 4.48Å; L200-L221 HydrophobicContact CD2-CD2 4.36Å; L200-L221 HydrophobicContact CG-CD1 4.47Å; L200-L221 HydrophobicContact CG-CD2 3.91Å; N219-L221 HydrophobicContact CB-CG 4.36Å; L221-L240 HydrophobicContact CD1-CD2 3.82Å; L221-N243 HydrophobicContact CB-CB 4.1Å; L221-N243 VanDerWaalsContact CB-OD1 3.3Å; L221-N243 WeakPolarHBondContact CB-OD1 3.02Å; L221-N243 VanDerWaalsContact CG-OD1 3.29Å; L221-N243 WeakPolarHBondContact CG-OD1 3.28Å; L221-N243 PolarHBondContact N-OD1 3.26Å; L221-N243 VanDerWaalsContact N-OD1 3.1Å; L221-K244 CarbonylContact O-C 3.11Å; L221-K244 VanDerWaalsContact O-CA 3.32Å; L221-K244 WeakPolarHBondContact O-CA 3.25Å; L221-K244 PolarHBondContact O-N 3.22Å; L221-V245 HydrophobicContact CB-CG2 4.27Å; L221-V245 WeakPolarHBondContact O-CA 3.45Å; L221-V245 WeakPolarHBondContact O-CG2 3.45Å; L221-V245 PolarHBondContact O-N 2.98Å
222	V	96.4	Very high	92.2	Very high	73 Å²	73	34.7 Å²	34.7	44%	0.442	17%	0.168	S	C	.	.			trans	-95.6	-30.1	-178.4	-177.6	0	0	0	0	113.1	D220 K244 V245 T246	D220-V222 PolarHBondContact O-N 2.75Å; V222-K244 WeakPolarHBondContact CA-O 3.27Å; V222-V245 CarbonylContact O-C 3.1Å; V222-V245 WeakPolarHBondContact O-CA 3.3Å; V222-T246 PolarHBondContact O-N 2.95Å; V222-T246 PolarHBondContact O-OG1 3.49Å
223	K	95	Very high	91.7	Very high	115 Å²	115	36.9 Å²	36.9	50%	0.5	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.2	-178.2	173.9	166.7	-176.1	176.1	0	110.3	I247 V249	K223-I247 HydrophobicContact CB-CG2 4.14Å; K223-I247 HydrophobicContact CD-CG2 3.99Å; K223-I247 HydrophobicContact CG-CG2 3.86Å; K223-V249 VanDerWaalsContact CE-CG2 3.5Å
224	V	94.1	Very high	91.5	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.2	171.5	174.8	0	0	0	0	108.5	L226 L240 V245 I247 V248 V249	V224-L226 HydrophobicContact CG1-CD2 4.11Å; V224-L240 HydrophobicContact CG1-CD1 4.11Å; V224-L240 HydrophobicContact CG2-CD1 4.1Å; V224-L240 HydrophobicContact CG2-CD2 4.48Å; V224-V245 HydrophobicContact CB-CG1 4.15Å; V224-V245 HydrophobicContact CG2-CB 4.31Å; V224-V245 HydrophobicContact CG2-CG1 3.73Å; V224-V245 HydrophobicContact CG2-CG2 3.55Å; V224-I247 PolarHBondContact N-O 3.11Å; V224-I247 VanDerWaalsContact N-O 3.15Å; V224-V248 HydrophobicContact CB-CG1 4.31Å; V224-V248 HydrophobicContact CG1-CG1 4.21Å; V224-V248 WeakPolarHBondContact O-CA 3.32Å; V224-V249 PolarHBondContact O-N 3.39Å
225	N	92.1	Very high	91.3	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.123	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.5	165.1	-175.2	-8.4	0	0	0	108.1	A227 H228 V249	N225-A227 PolarHBondContact O-N 3.25Å; N225-A227 VanDerWaalsContact O-N 3.09Å; N225-A227 VanDerWaalsContact OD1-CB 3.25Å; N225-A227 WeakPolarHBondContact OD1-CB 3.23Å; N225-A227 PolarHBondContact OD1-N 3.02Å; N225-H228 WeakPolarHBondContact O-CB 3.26Å; N225-H228 PolarHBondContact O-N 3.21Å; N225-V249 WeakPolarHBondContact CA-O 3.15Å; N225-V249 HydrophobicContact CB-CG2 3.7Å
226	L	87.5	Confident	91.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-59.9	-22.8	178.6	-58.7	-176.8	0	0	0	111.9	V224 H228 F229 V249 N250 L252 W256 M261 V275	V224-L226 HydrophobicContact CG1-CD2 4.11Å; L226-H228 PolarHBondContact O-N 2.74Å; L226-F229 PolarHBondContact O-N 2.95Å; L226-V249 PolarHBondContact N-O 3.26Å; L226-V249 VanDerWaalsContact N-O 3.09Å; L226-N250 HydrophobicContact CD1-CB 4.15Å; L226-L252 HydrophobicContact CB-CD1 3.42Å; L226-L252 VanDerWaalsContact CB-CD1 3.42Å; L226-L252 HydrophobicContact CB-CG 4.08Å; L226-W256 HydrophobicContact CB-CH2 4.11Å; L226-W256 HydrophobicContact CB-CZ2 4.42Å; L226-W256 HydrophobicContact CD2-CH2 4.23Å; L226-W256 HydrophobicContact CD2-CZ3 4.23Å; L226-W256 VanDerWaalsContact O-CZ2 3.26Å; L226-W256 WeakPolarHBondContact O-CZ2 3.47Å; L226-M261 HydrophobicContact CD2-CE 4.01Å; L226-V275 HydrophobicContact CD1-CG2 4.15Å; L226-V275 WeakPolarHBondContact CD1-O 3.32Å
227	A	84.4	Confident	91.2	Very high	14 Å²	14	39 Å²	39	12%	0.116	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-66.4	-13.4	173.6	0	0	0	0	0	115.2	N225 F229 T251 L252	N225-A227 PolarHBondContact O-N 3.25Å; N225-A227 VanDerWaalsContact O-N 3.09Å; N225-A227 VanDerWaalsContact OD1-CB 3.25Å; N225-A227 WeakPolarHBondContact OD1-CB 3.23Å; N225-A227 PolarHBondContact OD1-N 3.02Å; A227-F229 PolarHBondContact O-N 2.65Å; A227-T251 WeakPolarHBondContact CB-OG1 3.45Å; A227-L252 HydrophobicContact CB-CD2 4.17Å; A227-L252 HydrophobicContact CB-CG 4.36Å
228	H	84.4	Confident	91.2	Very high	46 Å²	46	38.3 Å²	38.3	21%	0.213	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-73.7	-8.4	173.3	-65.5	167.9	0	0	0	113.8	L200 N225 L226 P230	L200-H228 HydrophobicContact CB-CB 4.48Å; L200-H228 PolarHBondContact O-CE1 3.08Å; L200-H228 PolarHBondContact O-ND1 3.29Å; N225-H228 WeakPolarHBondContact O-CB 3.26Å; N225-H228 PolarHBondContact O-N 3.21Å; L226-H228 PolarHBondContact O-N 2.74Å; H228-P230 WeakPolarHBondContact O-CD 3.36Å
229	F	83.8	Confident	91.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	19%	0.186	C	C	.	.	S	Bend	trans	-110.9	58.4	178.1	-54.7	-78.8	0	0	0	111	L200 F205 L214 L216 L226 A227 R231 L232 W256	L200-F229 HydrophobicContact CD1-CE1 3.94Å; L200-F229 HydrophobicContact CD1-CE2 4.46Å; L200-F229 HydrophobicContact CD1-CZ 3.55Å; F205-F229 AromaticContact CD2-CD1 3.69Å; F205-F229 HydrophobicContact CD2-CD1 3.69Å; F205-F229 AromaticContact CD2-CE1 3.79Å; F205-F229 HydrophobicContact CD2-CE1 3.79Å; F205-F229 HydrophobicContact CE2-CD1 4.03Å; F205-F229 AromaticContact CE2-CE1 3.62Å; F205-F229 HydrophobicContact CE2-CE1 3.62Å; L214-F229 HydrophobicContact CD2-CD1 4Å; L214-F229 HydrophobicContact CD2-CE1 3.73Å; L216-F229 HydrophobicContact CD1-CE1 3.98Å; L216-F229 HydrophobicContact CD1-CZ 4.1Å; L226-F229 PolarHBondContact O-N 2.95Å; A227-F229 PolarHBondContact O-N 2.65Å; F229-R231 PolarHBondContact O-N 2.83Å; F229-L232 HydrophobicContact CB-CD1 3.8Å; F229-L232 HydrophobicContact CB-CG 4.17Å; F229-L232 HydrophobicContact CD1-CD1 3.87Å; F229-L232 HydrophobicContact CG-CD1 4.26Å; F229-W256 HydrophobicContact CB-CH2 3.47Å; F229-W256 VanDerWaalsContact CB-CH2 3.47Å; F229-W256 HydrophobicContact CB-CZ2 3.55Å; F229-W256 AromaticContact CD2-CH2 3.74Å; F229-W256 HydrophobicContact CD2-CH2 3.74Å; F229-W256 HydrophobicContact CD2-CZ2 4.49Å; F229-W256 AromaticContact CG-CH2 3.91Å; F229-W256 HydrophobicContact CG-CH2 3.91Å; F229-W256 HydrophobicContact CG-CZ2 4.45Å
230	P	73.6	Confident	91.1	Very high	18 Å²	18	36.4 Å²	36.4	12%	0.117	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	127.1	-175.5	26.2	-31.4	0	0	0	110.6	N203 H228 L232 W254	N203-P230 VanDerWaalsContact OD1-CG 3.22Å; N203-P230 WeakPolarHBondContact OD1-CG 3.31Å; H228-P230 WeakPolarHBondContact O-CD 3.36Å; P230-L232 VanDerWaalsContact C-N 3.31Å; P230-L232 PolarHBondContact O-N 3.4Å; P230-W254 VanDerWaalsContact CA-CZ2 3.47Å; P230-W254 HydrophobicContact CB-CH2 3.78Å; P230-W254 HydrophobicContact CB-CZ2 4.2Å
231	R	76.6	Confident	91.1	Very high	163 Å²	163	38.8 Å²	38.8	62%	0.615	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	28.5	170.7	-50.5	177.1	176.3	-178.9	-2.1	115.3	F229 L233 W254	F229-R231 PolarHBondContact O-N 2.83Å; R231-L233 HydrophobicContact CB-CG 4.45Å; R231-L233 PolarHBondContact O-N 3.2Å; R231-W254 VanDerWaalsContact N-CZ2 3.26Å
232	L	88.7	Confident	91.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.211	C	C	.	.			trans	-74.5	58.3	162.8	-60	-170.4	0	0	0	110.6	F205 L208 L211 L214 F229 P230 S234 L235	F205-L232 HydrophobicContact CB-CD1 4.45Å; F205-L232 HydrophobicContact CB-CD2 4.3Å; L208-L232 HydrophobicContact CB-CD2 3.66Å; L211-L232 HydrophobicContact CD2-CD1 4.22Å; L211-L232 HydrophobicContact CD2-CD2 4.3Å; L214-L232 HydrophobicContact CD2-CD1 4.27Å; F229-L232 HydrophobicContact CB-CD1 3.8Å; F229-L232 HydrophobicContact CB-CG 4.17Å; F229-L232 HydrophobicContact CD1-CD1 3.87Å; F229-L232 HydrophobicContact CG-CD1 4.26Å; P230-L232 VanDerWaalsContact C-N 3.31Å; P230-L232 PolarHBondContact O-N 3.4Å; L232-S234 PolarHBondContact O-N 3.44Å; L232-S234 VanDerWaalsContact O-N 3.12Å; L232-L235 HydrophobicContact CB-CB 4.04Å; L232-L235 HydrophobicContact CB-CD2 4.39Å; L232-L235 HydrophobicContact CD1-CD2 4.07Å; L232-L235 VanDerWaalsContact O-CB 3.31Å; L232-L235 WeakPolarHBondContact O-CB 3.08Å; L232-L235 PolarHBondContact O-N 2.97Å; L232-L235 VanDerWaalsContact O-N 3.08Å
233	L	87	Confident	91.3	Very high	93 Å²	93	41.2 Å²	41.2	49%	0.487	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.7	-167.9	-59.4	177.5	0	0	0	114	R231	R231-L233 HydrophobicContact CB-CG 4.45Å; R231-L233 PolarHBondContact O-N 3.2Å
234	S	93.1	Very high	91.4	Very high	41 Å²	41	40.2 Å²	40.2	29%	0.287	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	7.7	-179.6	-52.6	0	0	0	0	112.8	F209 L211 T212 L232 H236	F209-S234 WeakPolarHBondContact O-CB 3.28Å; F209-S234 PolarHBondContact O-OG 2.79Å; L211-S234 CarbonylContact O-C 3.5Å; T212-S234 WeakPolarHBondContact CA-O 3.22Å; L232-S234 PolarHBondContact O-N 3.44Å; L232-S234 VanDerWaalsContact O-N 3.12Å; S234-H236 PolarHBondContact O-CE1 2.98Å; S234-H236 PolarHBondContact O-N 3.03Å; S234-H236 PolarHBondContact O-ND1 3.33Å
235	L	94.9	Very high	91.6	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	19%	0.185	C	C	.	.			trans	-72.8	124.8	-175.2	-166.1	70.8	0	0	0	110.4	L211 L214 L232 L238 K257 L258	L211-L235 HydrophobicContact CD2-CD1 4.07Å; L211-L235 HydrophobicContact CG-CD1 4.18Å; L211-L235 VanDerWaalsContact O-CA 3.27Å; L211-L235 WeakPolarHBondContact O-CA 3.45Å; L211-L235 PolarHBondContact O-N 3.46Å; L211-L235 VanDerWaalsContact O-N 3.13Å; L214-L235 HydrophobicContact CB-CD1 3.92Å; L232-L235 HydrophobicContact CB-CB 4.04Å; L232-L235 HydrophobicContact CB-CD2 4.39Å; L232-L235 HydrophobicContact CD1-CD2 4.07Å; L232-L235 VanDerWaalsContact O-CB 3.31Å; L232-L235 WeakPolarHBondContact O-CB 3.08Å; L232-L235 PolarHBondContact O-N 2.97Å; L232-L235 VanDerWaalsContact O-N 3.08Å; L235-L238 HydrophobicContact CD2-CB 4.29Å; L235-K257 CarbonylContact O-C 3.19Å; L235-L258 HydrophobicContact CB-CD1 4.48Å; L235-L258 HydrophobicContact CD2-CD1 3.97Å; L235-L258 HydrophobicContact CG-CD1 3.92Å; L235-L258 WeakPolarHBondContact O-CA 3.31Å; L235-L258 PolarHBondContact O-N 2.73Å
236	H	96.1	Very high	91.8	Very high	76 Å²	76	41.1 Å²	41.1	35%	0.352	19%	0.194	S	C	.	.			trans	-108.1	-34.5	179.5	-65	75	0	0	0	111.7	T212 S234 E259 K260	T212-H236 PolarHBondContact O-N 3.09Å; S234-H236 PolarHBondContact O-CE1 2.98Å; S234-H236 PolarHBondContact O-N 3.03Å; S234-H236 PolarHBondContact O-ND1 3.33Å; H236-E259 PolarHBondContact O-N 3.02Å; H236-K260 PolarHBondContact O-N 3.24Å
237	S	97.8	Very high	92.2	Very high	25 Å²	25	43.1 Å²	43.1	18%	0.175	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.7	-176.3	-172	0	0	0	0	111.3	T212 E213 L214 K260	T212-S237 PolarHBondContact O-N 3.27Å; E213-S237 WeakPolarHBondContact CA-O 3.25Å; L214-S237 PolarHBondContact N-O 3.16Å; L214-S237 VanDerWaalsContact N-O 3.07Å; S237-K260 WeakPolarHBondContact CA-O 3.49Å
238	L	97.3	Very high	92.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114.6	175.3	178.7	58.9	0	0	0	109.8	L214 L235 L240 W256 L258 K260 M261 D262	L214-L238 HydrophobicContact CB-CD1 4.14Å; L214-L238 HydrophobicContact CD2-CD1 3.98Å; L214-L238 HydrophobicContact CG-CD1 4.1Å; L235-L238 HydrophobicContact CD2-CB 4.29Å; L238-L240 HydrophobicContact CD1-CD1 4.32Å; L238-L240 HydrophobicContact CD1-CG 4.21Å; L238-L240 HydrophobicContact CD2-CD1 3.8Å; L238-L240 HydrophobicContact CG-CD1 3.9Å; L238-L240 HydrophobicContact CG-CG 4.12Å; L238-W256 HydrophobicContact CD2-CZ3 4.42Å; L238-L258 HydrophobicContact CB-CD1 3.88Å; L238-L258 HydrophobicContact CB-CD2 4.25Å; L238-K260 PolarHBondContact N-O 2.93Å; L238-M261 HydrophobicContact CD2-CE 4.23Å; L238-M261 WeakPolarHBondContact O-CA 3.18Å; L238-D262 PolarHBondContact O-N 3.43Å
239	C	98.1	Very high	93.2	Very high	18 Å²	18	41 Å²	41	12%	0.122	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.1	178.3	-170.9	0	0	0	0	110.1	L214 L216 E217	L214-C239 PolarHBondContact O-N 3.14Å; L216-C239 CarbonylContact C-O 3.54Å; L216-C239 WeakPolarHBondContact CA-O 3.43Å; L216-C239 PolarHBondContact N-O 3.19Å; E217-C239 PolarHBondContact N-O 2.8Å
240	L	97.8	Very high	93.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.197	C	C	.	.			trans	-122.3	15.9	178.8	-74.5	162.9	0	0	0	111.6	L216 L221 V224 L238 N243 M261 D262 L263 N266	L216-L240 HydrophobicContact CB-CD2 3.81Å; L216-L240 HydrophobicContact CD1-CD2 3.95Å; L221-L240 HydrophobicContact CD1-CD2 3.82Å; V224-L240 HydrophobicContact CG1-CD1 4.11Å; V224-L240 HydrophobicContact CG2-CD1 4.1Å; V224-L240 HydrophobicContact CG2-CD2 4.48Å; L238-L240 HydrophobicContact CD1-CD1 4.32Å; L238-L240 HydrophobicContact CD1-CG 4.21Å; L238-L240 HydrophobicContact CD2-CD1 3.8Å; L238-L240 HydrophobicContact CG-CD1 3.9Å; L238-L240 HydrophobicContact CG-CG 4.12Å; L240-N243 PolarHBondContact O-ND2 3.01Å; L240-M261 HydrophobicContact CD1-CE 4.21Å; L240-D262 CarbonylContact C-O 3.52Å; L240-D262 WeakPolarHBondContact CA-O 3.36Å; L240-D262 WeakPolarHBondContact CB-O 3.31Å; L240-D262 PolarHBondContact N-O 3.23Å; L240-L263 HydrophobicContact CB-CD2 3.85Å; L240-L263 HydrophobicContact CD1-CD2 3.89Å; L240-N266 PolarHBondContact O-ND2 3.12Å
241	R	97.8	Very high	93.8	Very high	94 Å²	94	45 Å²	45	36%	0.355	22%	0.216	S	C	.	.			trans	-53.8	143.8	-178.6	175.3	168.2	-165	-168.3	5.4	112.6	E217 H218 N243 D262 S264	E217-R241 CarbonylContact C-O 3.57Å; E217-R241 WeakPolarHBondContact CA-O 3.25Å; E217-R241 HydrophobicContact CB-CB 3.99Å; E217-R241 WeakPolarHBondContact CB-O 3.18Å; H218-R241 PolarHBondContact N-O 3.46Å; R241-N243 PolarHBondContact O-N 3.26Å; R241-D262 PolarHBondContact N-O 2.61Å; R241-S264 CarbonylContact C-O 3.44Å; R241-S264 VanDerWaalsContact CA-O 3.25Å; R241-S264 WeakPolarHBondContact CA-O 3.3Å; R241-S264 WeakPolarHBondContact CD-OG 3.14Å; R241-S264 WeakPolarHBondContact CG-O 3.07Å; R241-S264 VanDerWaalsContact CG-OG 3.23Å; R241-S264 WeakPolarHBondContact CG-OG 3.11Å; R241-S264 PolarHBondContact NE-OG 3.39Å
242	R	97.9	Very high	93.8	Very high	117 Å²	117	38.1 Å²	38.1	44%	0.442	19%	0.192	S	C	.	.	S	Bend	trans	53.2	50.8	173.7	-69.6	172	174.8	169.4	-3.1	112.9	H218 S264 G265	H218-R242 WeakPolarHBondContact CA-O 3.42Å; H218-R242 WeakPolarHBondContact CE1-CD 3.49Å; H218-R242 PolarHBondContact CE1-NH1 2.98Å; H218-R242 VanDerWaalsContact CE1-NH1 3.25Å; H218-R242 PolarHBondContact N-O 3.06Å; H218-R242 WeakPolarHBondContact NE2-CD 3.14Å; H218-R242 PolarHBondContact NE2-NH1 3.26Å; R242-S264 PolarHBondContact N-O 3.12Å; R242-G265 VanDerWaalsContact CA-O 3.28Å; R242-G265 WeakPolarHBondContact CA-O 3.44Å
243	N	98.4	Very high	93.2	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.043	23%	0.232	C	C	.	.	S	Bend	trans	-103.6	-164.9	162.7	-83.2	-88.9	0	0	0	108.9	L216 N219 L221 L240 R241 V245 N266	L216-N243 PolarHBondContact O-ND2 2.69Å; N219-N243 VanDerWaalsContact CA-OD1 3.28Å; N219-N243 WeakPolarHBondContact CA-OD1 3.39Å; N219-N243 WeakPolarHBondContact CB-OD1 3.18Å; N219-N243 PolarHBondContact N-OD1 3.13Å; N219-N243 WeakPolarHBondContact O-CA 3.44Å; N219-N243 PolarHBondContact O-OD1 3.24Å; L221-N243 HydrophobicContact CB-CB 4.1Å; L221-N243 VanDerWaalsContact CB-OD1 3.3Å; L221-N243 WeakPolarHBondContact CB-OD1 3.02Å; L221-N243 VanDerWaalsContact CG-OD1 3.29Å; L221-N243 WeakPolarHBondContact CG-OD1 3.28Å; L221-N243 PolarHBondContact N-OD1 3.26Å; L221-N243 VanDerWaalsContact N-OD1 3.1Å; L240-N243 PolarHBondContact O-ND2 3.01Å; R241-N243 PolarHBondContact O-N 3.26Å; N243-V245 HydrophobicContact CB-CG2 3.85Å; N243-N266 WeakPolarHBondContact CA-OD1 3.19Å; N243-N266 WeakPolarHBondContact CB-OD1 3.12Å; N243-N266 PolarHBondContact N-OD1 2.98Å; N243-N266 VanDerWaalsContact N-OD1 3.12Å; N243-N266 PolarHBondContact O-OD1 2.83Å
244	K	97.7	Very high	92.9	Very high	94 Å²	94	45.3 Å²	45.3	41%	0.409	23%	0.225	S	C	.	.			trans	-112.7	31.5	176.9	-66.8	174.5	173.4	159.8	0	111.1	D220 L221 V222 T246	D220-K244 HydrophobicContact CB-CD 4.48Å; D220-K244 VanDerWaalsContact OD1-CE 3.3Å; D220-K244 WeakPolarHBondContact OD1-CE 3.22Å; D220-K244 IonicContact OD1-NZ 2.89Å; D220-K244 PolarHBondContact OD1-NZ 2.87Å; L221-K244 CarbonylContact O-C 3.11Å; L221-K244 VanDerWaalsContact O-CA 3.32Å; L221-K244 WeakPolarHBondContact O-CA 3.25Å; L221-K244 PolarHBondContact O-N 3.22Å; V222-K244 WeakPolarHBondContact CA-O 3.27Å; K244-T246 PolarHBondContact O-N 3.08Å
245	V	98.1	Very high	92.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.			trans	-70.3	119.7	-168.9	-179.5	0	0	0	0	109	L221 V222 V224 N243 I247 V248 N266 E267 I268	L221-V245 HydrophobicContact CB-CG2 4.27Å; L221-V245 WeakPolarHBondContact O-CA 3.45Å; L221-V245 WeakPolarHBondContact O-CG2 3.45Å; L221-V245 PolarHBondContact O-N 2.98Å; V222-V245 CarbonylContact O-C 3.1Å; V222-V245 WeakPolarHBondContact O-CA 3.3Å; V224-V245 HydrophobicContact CB-CG1 4.15Å; V224-V245 HydrophobicContact CG2-CB 4.31Å; V224-V245 HydrophobicContact CG2-CG1 3.73Å; V224-V245 HydrophobicContact CG2-CG2 3.55Å; N243-V245 HydrophobicContact CB-CG2 3.85Å; V245-I247 WeakPolarHBondContact CG1-O 3.3Å; V245-V248 HydrophobicContact CG1-CG2 4.13Å; V245-N266 HydrophobicContact CB-CB 4.15Å; V245-N266 WeakPolarHBondContact CB-OD1 3.35Å; V245-N266 VanDerWaalsContact CG2-OD1 3.3Å; V245-N266 WeakPolarHBondContact CG2-OD1 3.35Å; V245-N266 PolarHBondContact N-OD1 3.48Å; V245-N266 VanDerWaalsContact N-OD1 3.13Å; V245-E267 CarbonylContact O-C 3.58Å; V245-E267 WeakPolarHBondContact O-CA 3.48Å; V245-E267 PolarHBondContact O-N 3.39Å; V245-I268 HydrophobicContact CB-CG1 4.26Å; V245-I268 HydrophobicContact CG1-CG1 4.11Å; V245-I268 WeakPolarHBondContact O-CA 3.44Å; V245-I268 VanDerWaalsContact O-CG1 3.28Å; V245-I268 WeakPolarHBondContact O-CG1 3.45Å; V245-I268 PolarHBondContact O-N 3.38Å
246	T	97.3	Very high	92.1	Very high	49 Å²	49	48.6 Å²	48.6	30%	0.301	24%	0.238	S	C	.	.			trans	-97.5	-29.5	177	58.5	0	0	0	0	112.8	V222 K244 E267 E269 Y270	V222-T246 PolarHBondContact O-N 2.95Å; V222-T246 PolarHBondContact O-OG1 3.49Å; K244-T246 PolarHBondContact O-N 3.08Å; T246-E267 WeakPolarHBondContact CA-O 3.41Å; T246-E267 HydrophobicContact CG2-CB 4.27Å; T246-E269 PolarHBondContact O-N 2.91Å; T246-Y270 PolarHBondContact O-N 3.25Å
247	I	96.1	Very high	91.8	Very high	44 Å²	44	51.5 Å²	51.5	23%	0.226	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135.7	-176	-176	171.1	0	0	0	112	K223 V224 V245 V249 Y270	K223-I247 HydrophobicContact CB-CG2 4.14Å; K223-I247 HydrophobicContact CD-CG2 3.99Å; K223-I247 HydrophobicContact CG-CG2 3.86Å; V224-I247 PolarHBondContact N-O 3.11Å; V224-I247 VanDerWaalsContact N-O 3.15Å; V245-I247 WeakPolarHBondContact CG1-O 3.3Å; I247-V249 HydrophobicContact CD1-CG1 3.78Å; I247-V249 HydrophobicContact CG1-CG1 3.85Å; I247-Y270 WeakPolarHBondContact CA-O 3.42Å; I247-Y270 HydrophobicContact CD1-CD1 3.64Å; I247-Y270 HydrophobicContact CD1-CE1 4.17Å; I247-Y270 HydrophobicContact CG1-CD1 3.86Å
248	V	95.8	Very high	91.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.9	172.2	-163.9	0	0	0	0	109.4	V224 V245 L263 I268 Y270 M271 E272 V275	V224-V248 HydrophobicContact CB-CG1 4.31Å; V224-V248 HydrophobicContact CG1-CG1 4.21Å; V224-V248 WeakPolarHBondContact O-CA 3.32Å; V245-V248 HydrophobicContact CG1-CG2 4.13Å; V248-L263 HydrophobicContact CG2-CD1 4.41Å; V248-I268 HydrophobicContact CG2-CD1 3.9Å; V248-I268 HydrophobicContact CG2-CG1 4.27Å; V248-I268 HydrophobicContact CG2-CG2 4.23Å; V248-Y270 PolarHBondContact N-O 3.43Å; V248-M271 HydrophobicContact CB-CG 4.33Å; V248-M271 HydrophobicContact CG2-CG 4.36Å; V248-E272 PolarHBondContact O-N 3.49Å; V248-V275 HydrophobicContact CB-CG2 4.32Å; V248-V275 HydrophobicContact CG1-CG2 3.66Å
249	V	93.7	Very high	91.6	Very high	16 Å²	16	53.1 Å²	53.1	10%	0.097	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.2	178.8	-62.4	0	0	0	0	111.2	K223 V224 N225 L226 I247 E272	K223-V249 VanDerWaalsContact CE-CG2 3.5Å; V224-V249 PolarHBondContact O-N 3.39Å; N225-V249 WeakPolarHBondContact CA-O 3.15Å; N225-V249 HydrophobicContact CB-CG2 3.7Å; L226-V249 PolarHBondContact N-O 3.26Å; L226-V249 VanDerWaalsContact N-O 3.09Å; I247-V249 HydrophobicContact CD1-CG1 3.78Å; I247-V249 HydrophobicContact CG1-CG1 3.85Å; V249-E272 WeakPolarHBondContact CA-OE2 3.48Å; V249-E272 WeakPolarHBondContact CB-OE2 3.44Å
250	N	88	Confident	91.6	Very high	18 Å²	18	57.9 Å²	57.9	10%	0.096	27%	0.273	C	S	.	.			trans	-135.7	110	176.4	-179	27.8	0	0	0	111.1	L226 L252 E272 H274 V275 S278	L226-N250 HydrophobicContact CD1-CB 4.15Å; N250-L252 WeakPolarHBondContact OD1-CB 3.18Å; N250-L252 WeakPolarHBondContact OD1-CD1 3.28Å; N250-L252 WeakPolarHBondContact OD1-CG 3.39Å; N250-L252 PolarHBondContact OD1-N 3.49Å; N250-E272 PolarHBondContact N-OE2 3.29Å; N250-H274 PolarHBondContact ND2-O 3.4Å; N250-V275 HydrophobicContact CB-CB 4.19Å; N250-V275 HydrophobicContact CB-CG2 3.89Å; N250-V275 PolarHBondContact ND2-O 2.86Å; N250-S278 WeakPolarHBondContact ND2-CB 3.25Å; N250-S278 PolarHBondContact ND2-OG 3.19Å
251	T	81.8	Confident	91.6	Very high	84 Å²	84	58 Å²	58	52%	0.515	27%	0.273	S	S	.	.			trans	-111	35	168.8	65.6	0	0	0	0	111.2	A227	A227-T251 WeakPolarHBondContact CB-OG1 3.45Å
252	L	77.3	Confident	91.6	Very high	19 Å²	19	55.1 Å²	55.1	10%	0.099	27%	0.265	C	S	.	.			trans	-87.8	134.1	177.8	-69.9	168.5	0	0	0	111.7	L226 A227 N250 W254 W256	L226-L252 HydrophobicContact CB-CD1 3.42Å; L226-L252 VanDerWaalsContact CB-CD1 3.42Å; L226-L252 HydrophobicContact CB-CG 4.08Å; A227-L252 HydrophobicContact CB-CD2 4.17Å; A227-L252 HydrophobicContact CB-CG 4.36Å; N250-L252 WeakPolarHBondContact OD1-CB 3.18Å; N250-L252 WeakPolarHBondContact OD1-CD1 3.28Å; N250-L252 WeakPolarHBondContact OD1-CG 3.39Å; N250-L252 PolarHBondContact OD1-N 3.49Å; L252-W254 HydrophobicContact CD2-CD2 4.43Å; L252-W254 HydrophobicContact CD2-CH2 3.81Å; L252-W254 HydrophobicContact CD2-CZ2 3.35Å; L252-W256 HydrophobicContact CD1-CD2 4.34Å; L252-W256 HydrophobicContact CD1-CH2 4.28Å; L252-W256 HydrophobicContact CD1-CZ2 3.5Å; L252-W256 HydrophobicContact CD2-CZ2 4.4Å
253	D	76.1	Confident	91.6	Very high	161 Å²	161	49.6 Å²	49.6	86%	0.861	24%	0.244	S	C	*	.	S	Bend	trans	-93.8	6.6	175.7	-53.7	-43	0	0	0	113.4
254	W	79.3	Confident	91.6	Very high	85 Å²	85	49.3 Å²	49.3	32%	0.322	24%	0.243	S	C	.	.	S	Bend	trans	-138.4	161.5	-177.2	69.7	71.9	0	0	0	113.3	P230 R231 L252 W256	P230-W254 VanDerWaalsContact CA-CZ2 3.47Å; P230-W254 HydrophobicContact CB-CH2 3.78Å; P230-W254 HydrophobicContact CB-CZ2 4.2Å; R231-W254 VanDerWaalsContact N-CZ2 3.26Å; L252-W254 HydrophobicContact CD2-CD2 4.43Å; L252-W254 HydrophobicContact CD2-CH2 3.81Å; L252-W254 HydrophobicContact CD2-CZ2 3.35Å; W254-W256 AromaticContact CD1-CD1 3.49Å; W254-W256 VanDerWaalsContact CD1-CD1 3.49Å; W254-W256 AromaticContact CD1-NE1 3.68Å; W254-W256 AromaticContact CE2-NE1 3.88Å; W254-W256 AromaticContact NE1-CD1 3.24Å; W254-W256 AromaticContact NE1-NE1 2.95Å
255	I	86.1	Confident	91.6	Very high	110 Å²	110	46.1 Å²	46.1	56%	0.564	24%	0.236	S	C	*	.			trans	-89.1	136.7	-176.6	-61.3	173.1	0	0	0	111.5	S278 P280	I255-S278 CarbonylContact C-O 3.3Å; I255-S278 WeakPolarHBondContact CA-O 3.37Å; I255-P280 HydrophobicContact CG2-CG 3.64Å
256	W	86.4	Confident	91.6	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.008	24%	0.238	C	C	.	.			trans	-99.7	152.3	173.7	-74.5	18.5	0	0	0	111.8	L226 F229 L238 L252 W254 L258 S278 V279	L226-W256 HydrophobicContact CB-CH2 4.11Å; L226-W256 HydrophobicContact CB-CZ2 4.42Å; L226-W256 HydrophobicContact CD2-CH2 4.23Å; L226-W256 HydrophobicContact CD2-CZ3 4.23Å; L226-W256 VanDerWaalsContact O-CZ2 3.26Å; L226-W256 WeakPolarHBondContact O-CZ2 3.47Å; F229-W256 HydrophobicContact CB-CH2 3.47Å; F229-W256 VanDerWaalsContact CB-CH2 3.47Å; F229-W256 HydrophobicContact CB-CZ2 3.55Å; F229-W256 AromaticContact CD2-CH2 3.74Å; F229-W256 HydrophobicContact CD2-CH2 3.74Å; F229-W256 HydrophobicContact CD2-CZ2 4.49Å; F229-W256 AromaticContact CG-CH2 3.91Å; F229-W256 HydrophobicContact CG-CH2 3.91Å; F229-W256 HydrophobicContact CG-CZ2 4.45Å; L238-W256 HydrophobicContact CD2-CZ3 4.42Å; L252-W256 HydrophobicContact CD1-CD2 4.34Å; L252-W256 HydrophobicContact CD1-CH2 4.28Å; L252-W256 HydrophobicContact CD1-CZ2 3.5Å; L252-W256 HydrophobicContact CD2-CZ2 4.4Å; W254-W256 AromaticContact CD1-CD1 3.49Å; W254-W256 VanDerWaalsContact CD1-CD1 3.49Å; W254-W256 AromaticContact CD1-NE1 3.68Å; W254-W256 AromaticContact CE2-NE1 3.88Å; W254-W256 AromaticContact NE1-CD1 3.24Å; W254-W256 AromaticContact NE1-NE1 2.95Å; W256-L258 VanDerWaalsContact C-N 3.26Å; W256-L258 HydrophobicContact CB-CB 4.34Å; W256-L258 HydrophobicContact CE3-CB 4.33Å; W256-L258 HydrophobicContact CE3-CD2 4.26Å; W256-L258 PolarHBondContact O-N 3.12Å; W256-S278 PolarHBondContact N-O 2.72Å; W256-V279 HydrophobicContact CB-CG1 3.82Å; W256-V279 HydrophobicContact CD2-CG1 4.4Å; W256-V279 HydrophobicContact CE3-CG1 4.01Å; W256-V279 HydrophobicContact CG-CG1 4.38Å
257	K	89.1	Confident	91.6	Very high	136 Å²	136	47.3 Å²	47.3	59%	0.591	24%	0.239	S	C	*	.			trans	-93.9	28	172.1	-63.3	-173.7	177	-174.8	0	112.5	L235 E259	L235-K257 CarbonylContact O-C 3.19Å; K257-E259 PolarHBondContact O-N 3.25Å
258	L	93.7	Very high	91.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.			trans	-68	128.9	-177.8	-166.7	72.1	0	0	0	109.7	L235 L238 W256 M261 V279 H281 L282	L235-L258 HydrophobicContact CB-CD1 4.48Å; L235-L258 HydrophobicContact CD2-CD1 3.97Å; L235-L258 HydrophobicContact CG-CD1 3.92Å; L235-L258 WeakPolarHBondContact O-CA 3.31Å; L235-L258 PolarHBondContact O-N 2.73Å; L238-L258 HydrophobicContact CB-CD1 3.88Å; L238-L258 HydrophobicContact CB-CD2 4.25Å; W256-L258 VanDerWaalsContact C-N 3.26Å; W256-L258 HydrophobicContact CB-CB 4.34Å; W256-L258 HydrophobicContact CE3-CB 4.33Å; W256-L258 HydrophobicContact CE3-CD2 4.26Å; W256-L258 PolarHBondContact O-N 3.12Å; L258-M261 HydrophobicContact CD2-CB 4.02Å; L258-M261 HydrophobicContact CD2-CG 4.29Å; L258-M261 HydrophobicContact CD2-SD 4.23Å; L258-V279 HydrophobicContact CB-CG1 3.99Å; L258-V279 HydrophobicContact CD2-CG1 4.22Å; L258-H281 CarbonylContact O-C 3.57Å; L258-L282 HydrophobicContact CD2-CD1 4.26Å; L258-L282 HydrophobicContact CG-CD1 4.3Å; L258-L282 WeakPolarHBondContact O-CA 3.47Å; L258-L282 PolarHBondContact O-N 2.98Å
259	E	96.8	Very high	91.8	Very high	61 Å²	61	50.9 Å²	50.9	29%	0.285	25%	0.254	S	S	.	.			trans	-107.5	-30.1	179.6	-59.9	-161.2	156.8	0	0	112.3	H236 K257 K283 S284	H236-E259 PolarHBondContact O-N 3.02Å; K257-E259 PolarHBondContact O-N 3.25Å; E259-K283 HydrophobicContact CB-CD 4.34Å; E259-K283 HydrophobicContact CG-CD 4.47Å; E259-K283 WeakPolarHBondContact O-CA 3.45Å; E259-K283 PolarHBondContact O-N 3.05Å; E259-K283 IonicContact OE1-NZ 3.92Å; E259-K283 PolarHBondContact OE1-NZ 3.41Å; E259-K283 IonicContact OE2-NZ 3.08Å; E259-K283 PolarHBondContact OE2-NZ 2.95Å; E259-K283 VanDerWaalsContact OE2-NZ 3.14Å; E259-S284 PolarHBondContact O-N 3.08Å
260	K	98.1	Very high	91.8	Very high	118 Å²	118	55.3 Å²	55.3	51%	0.513	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.6	-177.5	-56.6	-173.8	-179.6	177.3	0	110.5	H236 S237 L238 S284	H236-K260 PolarHBondContact O-N 3.24Å; S237-K260 WeakPolarHBondContact CA-O 3.49Å; L238-K260 PolarHBondContact N-O 2.93Å; K260-S284 WeakPolarHBondContact CA-O 2.95Å
261	M	97.5	Very high	92.3	Very high	2 Å²	2	55 Å²	55	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.6	173.7	-168	172.5	-173.3	0	0	109.2	L226 L238 L240 L258 L263 F276 L282 S284 L285 Q286	L226-M261 HydrophobicContact CD2-CE 4.01Å; L238-M261 HydrophobicContact CD2-CE 4.23Å; L238-M261 WeakPolarHBondContact O-CA 3.18Å; L240-M261 HydrophobicContact CD1-CE 4.21Å; L258-M261 HydrophobicContact CD2-CB 4.02Å; L258-M261 HydrophobicContact CD2-CG 4.29Å; L258-M261 HydrophobicContact CD2-SD 4.23Å; M261-L263 HydrophobicContact CE-CD1 3.65Å; M261-L263 HydrophobicContact CE-CD2 4.08Å; M261-L263 HydrophobicContact CE-CG 3.93Å; M261-L263 HydrophobicContact CG-CD1 4.42Å; M261-L263 HydrophobicContact CG-CG 4.3Å; M261-L263 HydrophobicContact SD-CD1 4.16Å; M261-F276 HydrophobicContact SD-CE1 4.19Å; M261-L282 HydrophobicContact CB-CD1 3.81Å; M261-L282 HydrophobicContact CB-CD2 4.49Å; M261-S284 PolarHBondContact N-O 2.8Å; M261-L285 HydrophobicContact CB-CD1 4.16Å; M261-L285 HydrophobicContact CG-CD1 4.47Å; M261-L285 WeakPolarHBondContact O-CA 3.22Å; M261-Q286 PolarHBondContact O-N 2.89Å
262	D	98.4	Very high	92.9	Very high	34 Å²	34	53.6 Å²	53.6	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	110.5	176.4	-173.8	-9.6	0	0	0	109.8	L238 L240 R241 S264 Q286	L238-D262 PolarHBondContact O-N 3.43Å; L240-D262 CarbonylContact C-O 3.52Å; L240-D262 WeakPolarHBondContact CA-O 3.36Å; L240-D262 WeakPolarHBondContact CB-O 3.31Å; L240-D262 PolarHBondContact N-O 3.23Å; R241-D262 PolarHBondContact N-O 2.61Å; D262-S264 VanDerWaalsContact OD1-CB 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.32Å; D262-S264 PolarHBondContact OD1-N 2.97Å; D262-S264 PolarHBondContact OD1-OG 2.97Å; D262-Q286 HydrophobicContact CB-CB 4.3Å; D262-Q286 HydrophobicContact CB-CG 4.33Å
263	L	98	Very high	93.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.259	C	S	.	.			trans	-114.7	16.3	175.8	-74.1	167.6	0	0	0	111.2	L240 V248 M261 N266 I268 Q286 L287 N290	L240-L263 HydrophobicContact CB-CD2 3.85Å; L240-L263 HydrophobicContact CD1-CD2 3.89Å; V248-L263 HydrophobicContact CG2-CD1 4.41Å; M261-L263 HydrophobicContact CE-CD1 3.65Å; M261-L263 HydrophobicContact CE-CD2 4.08Å; M261-L263 HydrophobicContact CE-CG 3.93Å; M261-L263 HydrophobicContact CG-CD1 4.42Å; M261-L263 HydrophobicContact CG-CG 4.3Å; M261-L263 HydrophobicContact SD-CD1 4.16Å; L263-N266 PolarHBondContact O-ND2 3.22Å; L263-I268 HydrophobicContact CB-CD1 3.94Å; L263-I268 HydrophobicContact CD1-CD1 4.2Å; L263-I268 HydrophobicContact CD2-CD1 4.27Å; L263-I268 HydrophobicContact CG-CD1 4.38Å; L263-Q286 CarbonylContact C-O 3.49Å; L263-Q286 WeakPolarHBondContact CA-O 3.42Å; L263-Q286 WeakPolarHBondContact CB-O 3.27Å; L263-Q286 PolarHBondContact N-O 3.4Å; L263-L287 HydrophobicContact CB-CD2 3.9Å; L263-L287 HydrophobicContact CD1-CD2 3.87Å; L263-N290 PolarHBondContact O-ND2 3.13Å
264	S	98	Very high	94.4	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	149.5	-175.6	62.2	0	0	0	0	112.9	R241 R242 D262 N266 Q286 D288	R241-S264 CarbonylContact C-O 3.44Å; R241-S264 VanDerWaalsContact CA-O 3.25Å; R241-S264 WeakPolarHBondContact CA-O 3.3Å; R241-S264 WeakPolarHBondContact CD-OG 3.14Å; R241-S264 WeakPolarHBondContact CG-O 3.07Å; R241-S264 VanDerWaalsContact CG-OG 3.23Å; R241-S264 WeakPolarHBondContact CG-OG 3.11Å; R241-S264 PolarHBondContact NE-OG 3.39Å; R242-S264 PolarHBondContact N-O 3.12Å; D262-S264 VanDerWaalsContact OD1-CB 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.32Å; D262-S264 PolarHBondContact OD1-N 2.97Å; D262-S264 PolarHBondContact OD1-OG 2.97Å; S264-N266 VanDerWaalsContact C-N 3.32Å; S264-N266 PolarHBondContact O-N 3.14Å; S264-N266 PolarHBondContact O-ND2 2.82Å; S264-Q286 PolarHBondContact N-O 3.28Å; S264-D288 CarbonylContact C-O 3.46Å; S264-D288 WeakPolarHBondContact CA-O 3.23Å; S264-D288 WeakPolarHBondContact CB-OD1 3.25Å
265	G	97.9	Very high	95	Very high	26 Å²	26	45.6 Å²	45.6	27%	0.268	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	29.9	175.3	0	0	0	0	0	114.3	R242 D288 S289	R242-G265 VanDerWaalsContact CA-O 3.28Å; R242-G265 WeakPolarHBondContact CA-O 3.44Å; G265-D288 PolarHBondContact N-O 3.33Å; G265-S289 CarbonylContact C-O 3.49Å; G265-S289 WeakPolarHBondContact CA-O 3.46Å; G265-S289 PolarHBondContact N-O 3.14Å
266	N	98.6	Very high	95.3	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.043	19%	0.192	C	C	.	.	S	Bend	trans	-100.4	-166.5	173.9	-82.7	-78.1	0	0	0	110.2	L240 N243 V245 L263 S264 I268 S289 N290	L240-N266 PolarHBondContact O-ND2 3.12Å; N243-N266 WeakPolarHBondContact CA-OD1 3.19Å; N243-N266 WeakPolarHBondContact CB-OD1 3.12Å; N243-N266 PolarHBondContact N-OD1 2.98Å; N243-N266 VanDerWaalsContact N-OD1 3.12Å; N243-N266 PolarHBondContact O-OD1 2.83Å; V245-N266 HydrophobicContact CB-CB 4.15Å; V245-N266 WeakPolarHBondContact CB-OD1 3.35Å; V245-N266 VanDerWaalsContact CG2-OD1 3.3Å; V245-N266 WeakPolarHBondContact CG2-OD1 3.35Å; V245-N266 PolarHBondContact N-OD1 3.48Å; V245-N266 VanDerWaalsContact N-OD1 3.13Å; L263-N266 PolarHBondContact O-ND2 3.22Å; S264-N266 VanDerWaalsContact C-N 3.32Å; S264-N266 PolarHBondContact O-N 3.14Å; S264-N266 PolarHBondContact O-ND2 2.82Å; N266-I268 HydrophobicContact CB-CD1 4.17Å; N266-I268 HydrophobicContact CB-CG1 3.92Å; N266-S289 PolarHBondContact N-O 3.14Å; N266-N290 VanDerWaalsContact CA-OD1 3.32Å; N266-N290 WeakPolarHBondContact CA-OD1 3.32Å; N266-N290 WeakPolarHBondContact CB-OD1 3.24Å; N266-N290 PolarHBondContact N-OD1 3.17Å; N266-N290 PolarHBondContact O-OD1 2.97Å
267	E	98.1	Very high	95.6	Very high	66 Å²	66	45.4 Å²	45.4	31%	0.308	22%	0.215	S	C	.	.			trans	-118.2	33.3	179.3	-60.1	-169.4	-131.1	0	0	110.6	V245 T246 E269 R291	V245-E267 CarbonylContact O-C 3.58Å; V245-E267 WeakPolarHBondContact O-CA 3.48Å; V245-E267 PolarHBondContact O-N 3.39Å; T246-E267 WeakPolarHBondContact CA-O 3.41Å; T246-E267 HydrophobicContact CG2-CB 4.27Å; E267-E269 PolarHBondContact O-N 3.28Å; E267-R291 IonicContact OE2-CZ 3.81Å; E267-R291 IonicContact OE2-NE 3.91Å; E267-R291 PolarHBondContact OE2-NE 3.34Å; E267-R291 IonicContact OE2-NH2 3.65Å; E267-R291 PolarHBondContact OE2-NH2 3.27Å
268	I	98.2	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.			trans	-69	118.7	-168.6	-59.1	168	0	0	0	109.3	V245 V248 L263 N266 M271 L287 N290 R291 L292	V245-I268 HydrophobicContact CB-CG1 4.26Å; V245-I268 HydrophobicContact CG1-CG1 4.11Å; V245-I268 WeakPolarHBondContact O-CA 3.44Å; V245-I268 VanDerWaalsContact O-CG1 3.28Å; V245-I268 WeakPolarHBondContact O-CG1 3.45Å; V245-I268 PolarHBondContact O-N 3.38Å; V248-I268 HydrophobicContact CG2-CD1 3.9Å; V248-I268 HydrophobicContact CG2-CG1 4.27Å; V248-I268 HydrophobicContact CG2-CG2 4.23Å; L263-I268 HydrophobicContact CB-CD1 3.94Å; L263-I268 HydrophobicContact CD1-CD1 4.2Å; L263-I268 HydrophobicContact CD2-CD1 4.27Å; L263-I268 HydrophobicContact CG-CD1 4.38Å; N266-I268 HydrophobicContact CB-CD1 4.17Å; N266-I268 HydrophobicContact CB-CG1 3.92Å; I268-M271 HydrophobicContact CG2-CG 3.84Å; I268-L287 HydrophobicContact CD1-CD2 4.27Å; I268-N290 HydrophobicContact CB-CB 4.34Å; I268-N290 WeakPolarHBondContact CB-OD1 3.38Å; I268-N290 WeakPolarHBondContact CD1-OD1 3.07Å; I268-N290 VanDerWaalsContact CG1-OD1 3.24Å; I268-N290 WeakPolarHBondContact CG1-OD1 3.49Å; I268-N290 PolarHBondContact N-OD1 2.99Å; I268-N290 VanDerWaalsContact N-OD1 3.09Å; I268-R291 CarbonylContact O-C 2.98Å; I268-R291 VanDerWaalsContact O-CA 3.31Å; I268-R291 WeakPolarHBondContact O-CA 3.47Å; I268-R291 PolarHBondContact O-N 3.33Å; I268-L292 HydrophobicContact CB-CD2 4.47Å; I268-L292 HydrophobicContact CG2-CD2 3.82Å; I268-L292 PolarHBondContact O-N 2.86Å; I268-L292 VanDerWaalsContact O-N 3.11Å
269	E	96.2	Very high	95.5	Very high	119 Å²	119	39.3 Å²	39.3	56%	0.556	19%	0.19	S	C	*	.			trans	-104.5	-33.5	175.8	-69.1	174	-171.5	0	0	111	T246 E267 R291	T246-E269 PolarHBondContact O-N 2.91Å; E267-E269 PolarHBondContact O-N 3.28Å; E269-R291 HydrophobicContact CG-CB 3.76Å
270	Y	95.4	Very high	95.2	Very high	109 Å²	109	38.4 Å²	38.4	43%	0.427	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.5	-175	178.6	-102.4	0	0	0	112.3	T246 I247 V248	T246-Y270 PolarHBondContact O-N 3.25Å; I247-Y270 WeakPolarHBondContact CA-O 3.42Å; I247-Y270 HydrophobicContact CD1-CD1 3.64Å; I247-Y270 HydrophobicContact CD1-CE1 4.17Å; I247-Y270 HydrophobicContact CG1-CD1 3.86Å; V248-Y270 PolarHBondContact N-O 3.43Å
271	M	96.8	Very high	95	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.054	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.3	171.5	-66.1	-173.9	-68.6	0	0	108.7	V248 I268 V275 F276 L287 L292 I299	V248-M271 HydrophobicContact CB-CG 4.33Å; V248-M271 HydrophobicContact CG2-CG 4.36Å; I268-M271 HydrophobicContact CG2-CG 3.84Å; M271-V275 HydrophobicContact CB-CG1 4.37Å; M271-F276 HydrophobicContact SD-CE2 3.95Å; M271-F276 HydrophobicContact SD-CZ 4.24Å; M271-L287 HydrophobicContact CE-CD1 4.34Å; M271-L287 HydrophobicContact SD-CD1 4.39Å; M271-L287 HydrophobicContact SD-CD2 4.22Å; M271-L292 HydrophobicContact CE-CD1 3.85Å; M271-L292 HydrophobicContact CE-CD2 3.86Å; M271-L292 HydrophobicContact CG-CD2 4.42Å; M271-I299 HydrophobicContact CB-CD1 3.69Å; M271-I299 HydrophobicContact CE-CD1 4.33Å
272	E	95	Very high	95	Very high	56 Å²	56	37.8 Å²	37.8	26%	0.262	19%	0.188	S	C	.	.			trans	-65.1	137.2	177.2	-175	171.9	-148.3	0	0	111.3	V248 V249 N250 H274 V275	V248-E272 PolarHBondContact O-N 3.49Å; V249-E272 WeakPolarHBondContact CA-OE2 3.48Å; V249-E272 WeakPolarHBondContact CB-OE2 3.44Å; N250-E272 PolarHBondContact N-OE2 3.29Å; E272-H274 PolarHBondContact O-N 2.85Å; E272-V275 HydrophobicContact CB-CB 4.37Å; E272-V275 WeakPolarHBondContact O-CB 3.27Å; E272-V275 WeakPolarHBondContact O-CG1 3.46Å; E272-V275 PolarHBondContact O-N 3.14Å
273	P	93.3	Very high	94.9	Very high	25 Å²	25	40.4 Å²	40.4	16%	0.162	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.5	-172.5	-30.4	35.6	0	0	0	115.8	R298	P273-R298 HydrophobicContact CB-CB 4.13Å
274	H	91.4	Very high	94.9	Very high	71 Å²	71	41.5 Å²	41.5	33%	0.329	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11.1	-178	-45	91.5	0	0	0	112.6	N250 E272 F276 E277 R298	N250-H274 PolarHBondContact ND2-O 3.4Å; E272-H274 PolarHBondContact O-N 2.85Å; H274-F276 VanDerWaalsContact C-N 3.3Å; H274-F276 PolarHBondContact O-N 2.96Å; H274-E277 HydrophobicContact CB-CG 4.29Å; H274-E277 IonicContact CD2-OE1 3.81Å; H274-E277 PolarHBondContact CD2-OE1 3.38Å; H274-E277 VanDerWaalsContact CD2-OE1 3.29Å; H274-E277 IonicContact CD2-OE2 3.72Å; H274-E277 PolarHBondContact O-N 2.84Å; H274-R298 PolarHBondContact NE2-NH1 2.92Å
275	V	92.3	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.5	-170.7	72.3	0	0	0	0	113.3	L226 V248 N250 M271 E272	L226-V275 HydrophobicContact CD1-CG2 4.15Å; L226-V275 WeakPolarHBondContact CD1-O 3.32Å; V248-V275 HydrophobicContact CB-CG2 4.32Å; V248-V275 HydrophobicContact CG1-CG2 3.66Å; N250-V275 HydrophobicContact CB-CB 4.19Å; N250-V275 HydrophobicContact CB-CG2 3.89Å; N250-V275 PolarHBondContact ND2-O 2.86Å; M271-V275 HydrophobicContact CB-CG1 4.37Å; E272-V275 HydrophobicContact CB-CB 4.37Å; E272-V275 WeakPolarHBondContact O-CB 3.27Å; E272-V275 WeakPolarHBondContact O-CG1 3.46Å; E272-V275 PolarHBondContact O-N 3.14Å
276	F	93.1	Very high	95	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.013	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-1.5	-177.3	-65.2	-73	0	0	0	114.5	M261 M271 H274 S278 V279 L282 L285 I299 W303	M261-F276 HydrophobicContact SD-CE1 4.19Å; M271-F276 HydrophobicContact SD-CE2 3.95Å; M271-F276 HydrophobicContact SD-CZ 4.24Å; H274-F276 VanDerWaalsContact C-N 3.3Å; H274-F276 PolarHBondContact O-N 2.96Å; F276-S278 PolarHBondContact O-N 3.27Å; F276-V279 HydrophobicContact CB-CG2 4.06Å; F276-V279 HydrophobicContact CD1-CG2 3.71Å; F276-V279 HydrophobicContact CG-CG2 4.37Å; F276-V279 CarbonylContact O-C 3.56Å; F276-V279 WeakPolarHBondContact O-CG2 3.14Å; F276-V279 PolarHBondContact O-N 3.12Å; F276-V279 VanDerWaalsContact O-N 3.07Å; F276-L282 HydrophobicContact CD1-CD2 4.16Å; F276-L282 HydrophobicContact CE1-CD2 4.24Å; F276-L285 HydrophobicContact CE1-CD1 4.1Å; F276-L285 HydrophobicContact CE1-CD2 4.02Å; F276-L285 HydrophobicContact CE2-CD2 4.48Å; F276-L285 HydrophobicContact CZ-CD1 4.23Å; F276-L285 HydrophobicContact CZ-CD2 3.9Å; F276-I299 HydrophobicContact CD2-CG2 3.71Å; F276-I299 HydrophobicContact CE2-CG2 3.94Å; F276-W303 AromaticContact CD2-NE1 3.3Å; F276-W303 VanDerWaalsContact CD2-NE1 3.3Å; F276-W303 HydrophobicContact CE2-CZ2 4.16Å; F276-W303 AromaticContact CE2-NE1 3.6Å; F276-W303 AromaticContact CG-NE1 3.59Å
277	E	91.1	Very high	94.9	Very high	105 Å²	105	42.1 Å²	42.1	49%	0.491	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.2	178.4	-66.4	-173.1	173.7	0	0	112.3	H274 V279	H274-E277 HydrophobicContact CB-CG 4.29Å; H274-E277 IonicContact CD2-OE1 3.81Å; H274-E277 PolarHBondContact CD2-OE1 3.38Å; H274-E277 VanDerWaalsContact CD2-OE1 3.29Å; H274-E277 IonicContact CD2-OE2 3.72Å; H274-E277 PolarHBondContact O-N 2.84Å; E277-V279 VanDerWaalsContact C-N 3.29Å; E277-V279 PolarHBondContact O-N 3.2Å
278	S	89.3	Confident	94.9	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.042	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.8	176	62	0	0	0	0	113.9	N250 I255 W256 F276 P280	N250-S278 WeakPolarHBondContact ND2-CB 3.25Å; N250-S278 PolarHBondContact ND2-OG 3.19Å; I255-S278 CarbonylContact C-O 3.3Å; I255-S278 WeakPolarHBondContact CA-O 3.37Å; W256-S278 PolarHBondContact N-O 2.72Å; F276-S278 PolarHBondContact O-N 3.27Å; S278-P280 VanDerWaalsContact C-CD 3.43Å; S278-P280 WeakPolarHBondContact O-CD 3.21Å
279	V	91.8	Very high	94.8	Very high	3 Å²	3	43 Å²	43	2%	0.018	21%	0.211	C	C	.	.			trans	-126.9	59.5	-178.5	-72.4	0	0	0	0	112.1	W256 L258 F276 E277 H281 L282	W256-V279 HydrophobicContact CB-CG1 3.82Å; W256-V279 HydrophobicContact CD2-CG1 4.4Å; W256-V279 HydrophobicContact CE3-CG1 4.01Å; W256-V279 HydrophobicContact CG-CG1 4.38Å; L258-V279 HydrophobicContact CB-CG1 3.99Å; L258-V279 HydrophobicContact CD2-CG1 4.22Å; F276-V279 HydrophobicContact CB-CG2 4.06Å; F276-V279 HydrophobicContact CD1-CG2 3.71Å; F276-V279 HydrophobicContact CG-CG2 4.37Å; F276-V279 CarbonylContact O-C 3.56Å; F276-V279 WeakPolarHBondContact O-CG2 3.14Å; F276-V279 PolarHBondContact O-N 3.12Å; F276-V279 VanDerWaalsContact O-N 3.07Å; E277-V279 VanDerWaalsContact C-N 3.29Å; E277-V279 PolarHBondContact O-N 3.2Å; V279-H281 PolarHBondContact O-N 3.42Å; V279-H281 VanDerWaalsContact O-N 3.15Å; V279-L282 WeakPolarHBondContact O-CB 3.4Å; V279-L282 PolarHBondContact O-N 3.36Å
280	P	91.5	Very high	94.9	Very high	42 Å²	42	37.8 Å²	37.8	27%	0.273	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.2	-172.8	30.4	-36.9	0	0	0	114.3	I255 S278 S305	I255-P280 HydrophobicContact CG2-CG 3.64Å; S278-P280 VanDerWaalsContact C-CD 3.43Å; S278-P280 WeakPolarHBondContact O-CD 3.21Å; P280-S305 WeakPolarHBondContact O-CB 3.32Å; P280-S305 PolarHBondContact O-OG 3.32Å
281	H	94.2	Very high	95.1	Very high	101 Å²	101	38.6 Å²	38.6	47%	0.468	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	11.4	-177.9	-61.3	-61.1	0	0	0	113.7	L258 V279 K283	L258-H281 CarbonylContact O-C 3.57Å; V279-H281 PolarHBondContact O-N 3.42Å; V279-H281 VanDerWaalsContact O-N 3.15Å; H281-K283 PolarHBondContact O-N 3.22Å
282	L	96.1	Very high	95.1	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	19%	0.188	C	C	.	.			trans	-62.6	124.5	-179.8	-164.8	68.2	0	0	0	110.2	L258 M261 F276 V279 L285 S305 L306	L258-L282 HydrophobicContact CD2-CD1 4.26Å; L258-L282 HydrophobicContact CG-CD1 4.3Å; L258-L282 WeakPolarHBondContact O-CA 3.47Å; L258-L282 PolarHBondContact O-N 2.98Å; M261-L282 HydrophobicContact CB-CD1 3.81Å; M261-L282 HydrophobicContact CB-CD2 4.49Å; F276-L282 HydrophobicContact CD1-CD2 4.16Å; F276-L282 HydrophobicContact CE1-CD2 4.24Å; V279-L282 WeakPolarHBondContact O-CB 3.4Å; V279-L282 PolarHBondContact O-N 3.36Å; L282-L285 HydrophobicContact CD2-CB 3.88Å; L282-L285 HydrophobicContact CD2-CD1 4.13Å; L282-L285 HydrophobicContact CD2-CD2 4.14Å; L282-L285 HydrophobicContact CD2-CG 4.27Å; L282-S305 CarbonylContact O-C 3.39Å; L282-S305 WeakPolarHBondContact O-CB 3.47Å; L282-L306 HydrophobicContact CB-CD2 4.28Å; L282-L306 HydrophobicContact CD2-CD2 4.14Å; L282-L306 HydrophobicContact CG-CD2 3.94Å; L282-L306 WeakPolarHBondContact O-CD2 3.29Å; L282-L306 PolarHBondContact O-N 3.23Å
283	K	97.5	Very high	95.2	Very high	88 Å²	88	38.1 Å²	38.1	38%	0.383	19%	0.192	S	C	.	.			trans	-105.4	-32.9	-178.6	-65.8	174.9	-176.5	162.9	0	112.5	E259 H281 T307 S308	E259-K283 HydrophobicContact CB-CD 4.34Å; E259-K283 HydrophobicContact CG-CD 4.47Å; E259-K283 WeakPolarHBondContact O-CA 3.45Å; E259-K283 PolarHBondContact O-N 3.05Å; E259-K283 IonicContact OE1-NZ 3.92Å; E259-K283 PolarHBondContact OE1-NZ 3.41Å; E259-K283 IonicContact OE2-NZ 3.08Å; E259-K283 PolarHBondContact OE2-NZ 2.95Å; E259-K283 VanDerWaalsContact OE2-NZ 3.14Å; H281-K283 PolarHBondContact O-N 3.22Å; K283-T307 PolarHBondContact O-N 2.95Å; K283-T307 PolarHBondContact O-OG1 2.93Å; K283-S308 PolarHBondContact O-N 2.97Å; K283-S308 VanDerWaalsContact O-N 3.08Å
284	S	98.2	Very high	95.3	Very high	23 Å²	23	41.7 Å²	41.7	16%	0.161	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.8	-180	174.1	0	0	0	0	109.8	E259 K260 M261 Q286 S308	E259-S284 PolarHBondContact O-N 3.08Å; K260-S284 WeakPolarHBondContact CA-O 2.95Å; M261-S284 PolarHBondContact N-O 2.8Å; S284-Q286 PolarHBondContact OG-NE2 2.71Å; S284-S308 WeakPolarHBondContact CA-O 3.33Å
285	L	98.1	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.3	176.2	176.7	56.4	0	0	0	109.6	M261 F276 L282 L287 W303 L306 S308 I309 S310	M261-L285 HydrophobicContact CB-CD1 4.16Å; M261-L285 HydrophobicContact CG-CD1 4.47Å; M261-L285 WeakPolarHBondContact O-CA 3.22Å; F276-L285 HydrophobicContact CE1-CD1 4.1Å; F276-L285 HydrophobicContact CE1-CD2 4.02Å; F276-L285 HydrophobicContact CE2-CD2 4.48Å; F276-L285 HydrophobicContact CZ-CD1 4.23Å; F276-L285 HydrophobicContact CZ-CD2 3.9Å; L282-L285 HydrophobicContact CD2-CB 3.88Å; L282-L285 HydrophobicContact CD2-CD1 4.13Å; L282-L285 HydrophobicContact CD2-CD2 4.14Å; L282-L285 HydrophobicContact CD2-CG 4.27Å; L285-L287 HydrophobicContact CD1-CD1 4.28Å; L285-L287 HydrophobicContact CD1-CD2 4.48Å; L285-L287 HydrophobicContact CD1-CG 4.01Å; L285-L287 HydrophobicContact CD2-CD1 3.7Å; L285-L287 HydrophobicContact CD2-CG 4.32Å; L285-L287 HydrophobicContact CG-CD1 3.87Å; L285-L287 HydrophobicContact CG-CG 3.94Å; L285-W303 HydrophobicContact CD2-CD2 4.43Å; L285-W303 HydrophobicContact CD2-CZ2 3.69Å; L285-L306 HydrophobicContact CB-CD1 4.19Å; L285-L306 HydrophobicContact CB-CD2 3.77Å; L285-L306 HydrophobicContact CD2-CD1 4.29Å; L285-S308 PolarHBondContact N-O 2.96Å; L285-S308 VanDerWaalsContact N-O 3.09Å; L285-I309 HydrophobicContact CB-CG1 4.48Å; L285-I309 CarbonylContact O-C 3.39Å; L285-I309 VanDerWaalsContact O-CA 3.22Å; L285-I309 WeakPolarHBondContact O-CA 3.33Å; L285-S310 PolarHBondContact O-N 3.06Å
286	Q	98.1	Very high	95.6	Very high	50 Å²	50	40.8 Å²	40.8	23%	0.234	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.4	176.3	-48.6	-68.7	-34.3	0	0	109.2	M261 D262 L263 S264 S284 S310	M261-Q286 PolarHBondContact O-N 2.89Å; D262-Q286 HydrophobicContact CB-CB 4.3Å; D262-Q286 HydrophobicContact CB-CG 4.33Å; L263-Q286 CarbonylContact C-O 3.49Å; L263-Q286 WeakPolarHBondContact CA-O 3.42Å; L263-Q286 WeakPolarHBondContact CB-O 3.27Å; L263-Q286 PolarHBondContact N-O 3.4Å; S264-Q286 PolarHBondContact N-O 3.28Å; S284-Q286 PolarHBondContact OG-NE2 2.71Å; Q286-S310 WeakPolarHBondContact CA-OG 3.3Å; Q286-S310 WeakPolarHBondContact CB-OG 3.22Å; Q286-S310 PolarHBondContact OE1-OG 2.83Å
287	L	97.6	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.			trans	-126.7	9.7	179.6	-74.7	168.9	0	0	0	112	L263 I268 M271 L285 N290 L292 W303 S310 L311 N314	L263-L287 HydrophobicContact CB-CD2 3.9Å; L263-L287 HydrophobicContact CD1-CD2 3.87Å; I268-L287 HydrophobicContact CD1-CD2 4.27Å; M271-L287 HydrophobicContact CE-CD1 4.34Å; M271-L287 HydrophobicContact SD-CD1 4.39Å; M271-L287 HydrophobicContact SD-CD2 4.22Å; L285-L287 HydrophobicContact CD1-CD1 4.28Å; L285-L287 HydrophobicContact CD1-CD2 4.48Å; L285-L287 HydrophobicContact CD1-CG 4.01Å; L285-L287 HydrophobicContact CD2-CD1 3.7Å; L285-L287 HydrophobicContact CD2-CG 4.32Å; L285-L287 HydrophobicContact CG-CD1 3.87Å; L285-L287 HydrophobicContact CG-CG 3.94Å; L287-N290 PolarHBondContact O-ND2 2.96Å; L287-L292 HydrophobicContact CB-CD1 4.49Å; L287-W303 HydrophobicContact CD1-CH2 4.16Å; L287-W303 HydrophobicContact CD1-CZ2 3.97Å; L287-S310 CarbonylContact C-O 3.44Å; L287-S310 WeakPolarHBondContact CA-O 3.35Å; L287-S310 WeakPolarHBondContact CB-O 3.26Å; L287-S310 PolarHBondContact N-O 2.88Å; L287-S310 PolarHBondContact N-OG 3.29Å; L287-L311 HydrophobicContact CB-CD2 4.04Å; L287-L311 HydrophobicContact CD1-CD2 4.23Å; L287-N314 PolarHBondContact O-ND2 2.88Å
288	D	97.5	Very high	95.9	Very high	30 Å²	30	45.8 Å²	45.8	16%	0.16	23%	0.226	C	C	.	.			trans	-61.9	157.4	176.8	67.7	-86.3	0	0	0	112.9	S264 G265 N290 S310 A312	S264-D288 CarbonylContact C-O 3.46Å; S264-D288 WeakPolarHBondContact CA-O 3.23Å; S264-D288 WeakPolarHBondContact CB-OD1 3.25Å; G265-D288 PolarHBondContact N-O 3.33Å; D288-N290 PolarHBondContact O-ND2 3.42Å; D288-S310 WeakPolarHBondContact CB-OG 3.49Å; D288-S310 PolarHBondContact N-O 2.92Å; D288-S310 PolarHBondContact N-OG 3.13Å; D288-S310 VanDerWaalsContact N-OG 3.15Å; D288-S310 WeakPolarHBondContact OD1-CB 3.17Å; D288-S310 PolarHBondContact OD1-OG 3.32Å; D288-A312 CarbonylContact C-O 3.47Å; D288-A312 WeakPolarHBondContact CA-O 3.49Å; D288-A312 WeakPolarHBondContact CB-O 3.46Å
289	S	97.3	Very high	96.2	Very high	54 Å²	54	45.6 Å²	45.6	38%	0.378	22%	0.224	S	C	.	.	S	Bend	trans	57.6	51.3	176.2	-45.9	0	0	0	0	112.1	G265 N266 A312 A313	G265-S289 CarbonylContact C-O 3.49Å; G265-S289 WeakPolarHBondContact CA-O 3.46Å; G265-S289 PolarHBondContact N-O 3.14Å; N266-S289 PolarHBondContact N-O 3.14Å; S289-A312 PolarHBondContact N-O 3.43Å; S289-A313 VanDerWaalsContact CA-O 3.25Å; S289-A313 WeakPolarHBondContact CA-O 3.4Å
290	N	98.3	Very high	96.4	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.059	23%	0.226	C	C	.	.	S	Bend	trans	-124.6	-168.6	177.5	-87.2	-72.3	0	0	0	110.4	L263 N266 I268 L287 D288 L292 A313 N314	L263-N290 PolarHBondContact O-ND2 3.13Å; N266-N290 VanDerWaalsContact CA-OD1 3.32Å; N266-N290 WeakPolarHBondContact CA-OD1 3.32Å; N266-N290 WeakPolarHBondContact CB-OD1 3.24Å; N266-N290 PolarHBondContact N-OD1 3.17Å; N266-N290 PolarHBondContact O-OD1 2.97Å; I268-N290 HydrophobicContact CB-CB 4.34Å; I268-N290 WeakPolarHBondContact CB-OD1 3.38Å; I268-N290 WeakPolarHBondContact CD1-OD1 3.07Å; I268-N290 VanDerWaalsContact CG1-OD1 3.24Å; I268-N290 WeakPolarHBondContact CG1-OD1 3.49Å; I268-N290 PolarHBondContact N-OD1 2.99Å; I268-N290 VanDerWaalsContact N-OD1 3.09Å; L287-N290 PolarHBondContact O-ND2 2.96Å; D288-N290 PolarHBondContact O-ND2 3.42Å; N290-L292 HydrophobicContact CB-CG 4.45Å; N290-A313 PolarHBondContact N-O 2.95Å; N290-N314 WeakPolarHBondContact CA-OD1 3.32Å; N290-N314 WeakPolarHBondContact CB-OD1 3.37Å; N290-N314 PolarHBondContact O-OD1 3.25Å
291	R	97.8	Very high	96.6	Very high	126 Å²	126	46.8 Å²	46.8	48%	0.475	24%	0.237	S	C	.	.			trans	-114.3	25.6	179.6	-61.3	-179	-176.7	-82.5	3	112.3	E267 I268 E269 T293 N314	E267-R291 IonicContact OE2-CZ 3.81Å; E267-R291 IonicContact OE2-NE 3.91Å; E267-R291 PolarHBondContact OE2-NE 3.34Å; E267-R291 IonicContact OE2-NH2 3.65Å; E267-R291 PolarHBondContact OE2-NH2 3.27Å; I268-R291 CarbonylContact O-C 2.98Å; I268-R291 VanDerWaalsContact O-CA 3.31Å; I268-R291 WeakPolarHBondContact O-CA 3.47Å; I268-R291 PolarHBondContact O-N 3.33Å; E269-R291 HydrophobicContact CG-CB 3.76Å; R291-T293 PolarHBondContact O-N 3.41Å; R291-N314 PolarHBondContact N-OD1 2.93Å
292	L	97.2	Very high	96.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.22	C	C	.	.			trans	-68.9	134.7	-179.1	-63.9	171.3	0	0	0	110.1	I268 M271 L287 N290 N314 A315 W316	I268-L292 HydrophobicContact CB-CD2 4.47Å; I268-L292 HydrophobicContact CG2-CD2 3.82Å; I268-L292 PolarHBondContact O-N 2.86Å; I268-L292 VanDerWaalsContact O-N 3.11Å; M271-L292 HydrophobicContact CE-CD1 3.85Å; M271-L292 HydrophobicContact CE-CD2 3.86Å; M271-L292 HydrophobicContact CG-CD2 4.42Å; L287-L292 HydrophobicContact CB-CD1 4.49Å; N290-L292 HydrophobicContact CB-CG 4.45Å; L292-N314 HydrophobicContact CB-CB 4.3Å; L292-N314 WeakPolarHBondContact CB-OD1 3.01Å; L292-N314 PolarHBondContact N-OD1 2.98Å; L292-A315 CarbonylContact O-C 3.05Å; L292-A315 WeakPolarHBondContact O-CA 3.38Å; L292-A315 PolarHBondContact O-N 3.39Å; L292-W316 HydrophobicContact CB-CH2 3.95Å; L292-W316 HydrophobicContact CB-CZ3 4.04Å; L292-W316 HydrophobicContact CD1-CH2 4.25Å
293	T	96.5	Very high	96.5	Very high	55 Å²	55	43.1 Å²	43.1	34%	0.337	22%	0.221	S	C	.	.	S	Bend	trans	-103	-31.5	174.8	55.1	0	0	0	0	112.2	R291 A315 D317	R291-T293 PolarHBondContact O-N 3.41Å; T293-A315 WeakPolarHBondContact CA-O 3.47Å; T293-A315 HydrophobicContact CG2-CB 4.49Å; T293-A315 WeakPolarHBondContact CG2-O 3.12Å; T293-D317 PolarHBondContact O-N 2.79Å
294	Y	95.4	Very high	96.3	Very high	100 Å²	100	47.3 Å²	47.3	39%	0.392	24%	0.239	S	C	.	.			trans	-151.9	170.4	173.9	69.6	-81.9	0	0	0	110.3	N321	Y294-N321 HydrophobicContact CG-CB 4.37Å
295	V	96.4	Very high	96.2	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	25%	0.248	C	C	.	.			trans	-122.9	128	171.2	-174	0	0	0	0	108.7	I299 L300 W303 W316 L325	V295-I299 HydrophobicContact CG1-CB 3.89Å; V295-I299 HydrophobicContact CG1-CG2 3.56Å; V295-L300 HydrophobicContact CB-CD2 4.13Å; V295-L300 HydrophobicContact CB-CG 4.33Å; V295-L300 HydrophobicContact CG1-CD2 3.72Å; V295-L300 HydrophobicContact CG1-CG 3.87Å; V295-W303 HydrophobicContact CG1-CH2 3.81Å; V295-W303 HydrophobicContact CG1-CZ2 4.27Å; V295-W303 HydrophobicContact CG1-CZ3 4.35Å; V295-W303 HydrophobicContact CG2-CH2 4.35Å; V295-W316 HydrophobicContact CG2-CH2 3.67Å; V295-W316 HydrophobicContact CG2-CZ3 3.75Å; V295-L325 HydrophobicContact CG2-CD1 4.34Å; V295-L325 HydrophobicContact CG2-CD2 4.42Å
296	D	95.6	Very high	96.1	Very high	49 Å²	49	49.3 Å²	49.3	26%	0.262	25%	0.252	S	S	.	.			trans	-63.5	143.9	178.7	-172.7	-83.7	0	0	0	111.9	R298 I299 L300	D296-R298 VanDerWaalsContact C-N 3.25Å; D296-R298 PolarHBondContact O-N 2.95Å; D296-R298 VanDerWaalsContact OD1-CB 3.27Å; D296-R298 WeakPolarHBondContact OD1-CB 3.42Å; D296-R298 WeakPolarHBondContact OD1-CG 3.39Å; D296-R298 PolarHBondContact OD1-N 3.23Å; D296-I299 HydrophobicContact CB-CD1 4.13Å; D296-I299 HydrophobicContact CB-CG1 4.28Å; D296-I299 WeakPolarHBondContact O-CB 3.42Å; D296-I299 PolarHBondContact O-N 3.43Å; D296-L300 PolarHBondContact O-N 2.89Å; D296-L300 VanDerWaalsContact O-N 3.14Å
297	S	94.6	Very high	96.1	Very high	74 Å²	74	51 Å²	51	52%	0.517	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-29.2	-177.9	60.7	0	0	0	0	113.5	L300 A301	S297-L300 PolarHBondContact O-N 3.25Å; S297-A301 WeakPolarHBondContact O-CB 3.3Å; S297-A301 PolarHBondContact O-N 2.85Å
298	R	95.2	Very high	96.1	Very high	138 Å²	138	52.6 Å²	52.6	52%	0.521	28%	0.277	S	S	.	.	H	α-helix	trans	-69.9	-34.1	174.9	-59.6	-174.3	-172.3	-166.2	2.6	112.2	P273 H274 D296 A301 S302	P273-R298 HydrophobicContact CB-CB 4.13Å; H274-R298 PolarHBondContact NE2-NH1 2.92Å; D296-R298 VanDerWaalsContact C-N 3.25Å; D296-R298 PolarHBondContact O-N 2.95Å; D296-R298 VanDerWaalsContact OD1-CB 3.27Å; D296-R298 WeakPolarHBondContact OD1-CB 3.42Å; D296-R298 WeakPolarHBondContact OD1-CG 3.39Å; D296-R298 PolarHBondContact OD1-N 3.23Å; R298-A301 PolarHBondContact O-N 3.44Å; R298-S302 PolarHBondContact O-N 3.3Å; R298-S302 PolarHBondContact O-OG 3.15Å
299	I	96.1	Very high	96.1	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-49.2	173.5	-68.6	173.5	0	0	0	109.3	M271 F276 V295 D296 A301 S302 W303	M271-I299 HydrophobicContact CB-CD1 3.69Å; M271-I299 HydrophobicContact CE-CD1 4.33Å; F276-I299 HydrophobicContact CD2-CG2 3.71Å; F276-I299 HydrophobicContact CE2-CG2 3.94Å; V295-I299 HydrophobicContact CG1-CB 3.89Å; V295-I299 HydrophobicContact CG1-CG2 3.56Å; D296-I299 HydrophobicContact CB-CD1 4.13Å; D296-I299 HydrophobicContact CB-CG1 4.28Å; D296-I299 WeakPolarHBondContact O-CB 3.42Å; D296-I299 PolarHBondContact O-N 3.43Å; I299-A301 VanDerWaalsContact C-N 3.3Å; I299-A301 PolarHBondContact O-N 2.76Å; I299-S302 WeakPolarHBondContact O-CA 3.41Å; I299-S302 VanDerWaalsContact O-CB 3.3Å; I299-S302 WeakPolarHBondContact O-CB 3.34Å; I299-S302 PolarHBondContact O-N 3.07Å; I299-W303 HydrophobicContact CG2-CD2 4.36Å; I299-W303 HydrophobicContact CG2-CH2 4.17Å; I299-W303 HydrophobicContact CG2-CZ2 3.41Å; I299-W303 VanDerWaalsContact CG2-CZ2 3.41Å; I299-W303 PolarHBondContact O-N 3.06Å
300	L	96	Very high	96.1	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-41.7	178.2	-62.7	172.6	0	0	0	111.9	V295 D296 S297 S302 W303 A324 L325 W328	V295-L300 HydrophobicContact CB-CD2 4.13Å; V295-L300 HydrophobicContact CB-CG 4.33Å; V295-L300 HydrophobicContact CG1-CD2 3.72Å; V295-L300 HydrophobicContact CG1-CG 3.87Å; D296-L300 PolarHBondContact O-N 2.89Å; D296-L300 VanDerWaalsContact O-N 3.14Å; S297-L300 PolarHBondContact O-N 3.25Å; L300-S302 PolarHBondContact O-N 2.7Å; L300-W303 HydrophobicContact CD2-CE3 3.7Å; L300-W303 HydrophobicContact CD2-CH2 4.22Å; L300-W303 HydrophobicContact CD2-CZ3 3.45Å; L300-W303 VanDerWaalsContact CD2-CZ3 3.45Å; L300-W303 PolarHBondContact O-N 3.16Å; L300-A324 VanDerWaalsContact CD1-C 3.43Å; L300-A324 HydrophobicContact CD1-CB 3.81Å; L300-A324 WeakPolarHBondContact CD1-O 3.46Å; L300-L325 HydrophobicContact CD1-CB 4.48Å; L300-L325 HydrophobicContact CD2-CD1 3.97Å; L300-W328 HydrophobicContact CB-CB 4.49Å; L300-W328 HydrophobicContact CB-CG 4.18Å; L300-W328 HydrophobicContact CD1-CB 4.16Å; L300-W328 HydrophobicContact CD2-CB 4.16Å; L300-W328 HydrophobicContact CD2-CD2 4.05Å; L300-W328 HydrophobicContact CD2-CE3 4.42Å; L300-W328 HydrophobicContact CD2-CG 3.92Å; L300-W328 HydrophobicContact CG-CG 4.46Å; L300-W328 PolarHBondContact O-NE1 3.06Å
301	A	94.6	Very high	96.1	Very high	61 Å²	61	48.3 Å²	48.3	50%	0.504	25%	0.25	S	C	.	.	H	α-helix	trans	-64.6	-21.7	176	0	0	0	0	0	113.7	S297 R298 I299 K304	S297-A301 WeakPolarHBondContact O-CB 3.3Å; S297-A301 PolarHBondContact O-N 2.85Å; R298-A301 PolarHBondContact O-N 3.44Å; I299-A301 VanDerWaalsContact C-N 3.3Å; I299-A301 PolarHBondContact O-N 2.76Å; A301-K304 WeakPolarHBondContact O-CE 3.01Å; A301-K304 WeakPolarHBondContact O-CG 3.39Å
302	S	94.3	Very high	96	Very high	17 Å²	17	43.3 Å²	43.3	12%	0.119	24%	0.236	C	C	.	.	H	α-helix	trans	-82.7	-20.8	177.7	-59.9	0	0	0	0	112.9	R298 I299 L300 K304	R298-S302 PolarHBondContact O-N 3.3Å; R298-S302 PolarHBondContact O-OG 3.15Å; I299-S302 WeakPolarHBondContact O-CA 3.41Å; I299-S302 VanDerWaalsContact O-CB 3.3Å; I299-S302 WeakPolarHBondContact O-CB 3.34Å; I299-S302 PolarHBondContact O-N 3.07Å; L300-S302 PolarHBondContact O-N 2.7Å; S302-K304 PolarHBondContact O-N 2.65Å
303	W	94.6	Very high	96	Very high	13 Å²	13	46.5 Å²	46.5	5%	0.049	26%	0.262	C	S	.	.			trans	-78.6	47	-177	-68.5	-9.6	0	0	0	114.5	F276 L285 L287 V295 I299 L300 S305 L306 I309 W328	F276-W303 AromaticContact CD2-NE1 3.3Å; F276-W303 VanDerWaalsContact CD2-NE1 3.3Å; F276-W303 HydrophobicContact CE2-CZ2 4.16Å; F276-W303 AromaticContact CE2-NE1 3.6Å; F276-W303 AromaticContact CG-NE1 3.59Å; L285-W303 HydrophobicContact CD2-CD2 4.43Å; L285-W303 HydrophobicContact CD2-CZ2 3.69Å; L287-W303 HydrophobicContact CD1-CH2 4.16Å; L287-W303 HydrophobicContact CD1-CZ2 3.97Å; V295-W303 HydrophobicContact CG1-CH2 3.81Å; V295-W303 HydrophobicContact CG1-CZ2 4.27Å; V295-W303 HydrophobicContact CG1-CZ3 4.35Å; V295-W303 HydrophobicContact CG2-CH2 4.35Å; I299-W303 HydrophobicContact CG2-CD2 4.36Å; I299-W303 HydrophobicContact CG2-CH2 4.17Å; I299-W303 HydrophobicContact CG2-CZ2 3.41Å; I299-W303 VanDerWaalsContact CG2-CZ2 3.41Å; I299-W303 PolarHBondContact O-N 3.06Å; L300-W303 HydrophobicContact CD2-CE3 3.7Å; L300-W303 HydrophobicContact CD2-CH2 4.22Å; L300-W303 HydrophobicContact CD2-CZ3 3.45Å; L300-W303 VanDerWaalsContact CD2-CZ3 3.45Å; L300-W303 PolarHBondContact O-N 3.16Å; W303-S305 PolarHBondContact O-N 2.95Å; W303-L306 HydrophobicContact CB-CD1 3.63Å; W303-L306 HydrophobicContact CB-CG 4.08Å; W303-L306 HydrophobicContact CD2-CD1 3.8Å; W303-L306 HydrophobicContact CE3-CD1 4.15Å; W303-L306 HydrophobicContact CG-CD1 3.58Å; W303-L306 HydrophobicContact CG-CG 4.38Å; W303-I309 HydrophobicContact CD2-CD1 4.4Å; W303-I309 HydrophobicContact CE3-CD1 3.71Å; W303-I309 HydrophobicContact CH2-CD1 3.73Å; W303-I309 HydrophobicContact CZ2-CD1 4.41Å; W303-I309 HydrophobicContact CZ3-CD1 3.32Å; W303-W328 HydrophobicContact CB-CZ2 3.92Å; W303-W328 HydrophobicContact CD2-CZ2 4.5Å; W303-W328 HydrophobicContact CE3-CD2 4.42Å; W303-W328 AromaticContact CE3-CH2 3.86Å; W303-W328 HydrophobicContact CE3-CH2 3.86Å; W303-W328 AromaticContact CE3-CZ2 3.73Å; W303-W328 HydrophobicContact CE3-CZ2 3.73Å; W303-W328 HydrophobicContact CE3-CZ3 4.24Å; W303-W328 HydrophobicContact CZ3-CH2 4.43Å; W303-W328 HydrophobicContact CZ3-CZ3 4.43Å
304	K	91.9	Very high	96	Very high	177 Å²	177	44.6 Å²	44.6	77%	0.77	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-30.1	-170.3	-59.5	179.3	-176.4	176.5	0	114.8	A301 S302	A301-K304 WeakPolarHBondContact O-CE 3.01Å; A301-K304 WeakPolarHBondContact O-CG 3.39Å; S302-K304 PolarHBondContact O-N 2.65Å
305	S	95.9	Very high	96	Very high	50 Å²	50	41.6 Å²	41.6	35%	0.35	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	3.7	-173.1	-57.1	0	0	0	0	113.5	P280 L282 W303 T307	P280-S305 WeakPolarHBondContact O-CB 3.32Å; P280-S305 PolarHBondContact O-OG 3.32Å; L282-S305 CarbonylContact O-C 3.39Å; L282-S305 WeakPolarHBondContact O-CB 3.47Å; W303-S305 PolarHBondContact O-N 2.95Å; S305-T307 PolarHBondContact O-N 3.03Å
306	L	97.5	Very high	96.1	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.079	25%	0.245	C	C	.	.			trans	-66.1	136.3	-175.5	-76.2	-175.2	0	0	0	111.1	L282 L285 W303 I309 W328 F332	L282-L306 HydrophobicContact CB-CD2 4.28Å; L282-L306 HydrophobicContact CD2-CD2 4.14Å; L282-L306 HydrophobicContact CG-CD2 3.94Å; L282-L306 WeakPolarHBondContact O-CD2 3.29Å; L282-L306 PolarHBondContact O-N 3.23Å; L285-L306 HydrophobicContact CB-CD1 4.19Å; L285-L306 HydrophobicContact CB-CD2 3.77Å; L285-L306 HydrophobicContact CD2-CD1 4.29Å; W303-L306 HydrophobicContact CB-CD1 3.63Å; W303-L306 HydrophobicContact CB-CG 4.08Å; W303-L306 HydrophobicContact CD2-CD1 3.8Å; W303-L306 HydrophobicContact CE3-CD1 4.15Å; W303-L306 HydrophobicContact CG-CD1 3.58Å; W303-L306 HydrophobicContact CG-CG 4.38Å; L306-I309 HydrophobicContact CD1-CB 4.37Å; L306-I309 HydrophobicContact CD1-CD1 4.02Å; L306-I309 HydrophobicContact CD1-CG1 4.45Å; L306-W328 HydrophobicContact CD1-CH2 4.4Å; L306-W328 HydrophobicContact CD1-CZ2 4.48Å; L306-F332 HydrophobicContact CB-CE2 3.93Å; L306-F332 HydrophobicContact CB-CZ 4.15Å; L306-F332 WeakPolarHBondContact O-CE2 3.28Å
307	T	97.5	Very high	96.1	Very high	84 Å²	84	40.9 Å²	40.9	52%	0.515	24%	0.242	S	C	.	.	S	Bend	trans	-118	-21.8	174.6	61.4	0	0	0	0	111.6	K283 S305 G334 R335	K283-T307 PolarHBondContact O-N 2.95Å; K283-T307 PolarHBondContact O-OG1 2.93Å; S305-T307 PolarHBondContact O-N 3.03Å; T307-G334 CarbonylContact O-C 3.08Å; T307-G334 VanDerWaalsContact O-CA 3.31Å; T307-G334 WeakPolarHBondContact O-CA 3.3Å; T307-R335 PolarHBondContact O-N 2.98Å
308	S	97.8	Very high	96.2	Very high	35 Å²	35	37.3 Å²	37.3	25%	0.245	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.5	177.2	-166.8	0	0	0	0	109.8	K283 S284 L285 R335	K283-S308 PolarHBondContact O-N 2.97Å; K283-S308 VanDerWaalsContact O-N 3.08Å; S284-S308 WeakPolarHBondContact CA-O 3.33Å; L285-S308 PolarHBondContact N-O 2.96Å; L285-S308 VanDerWaalsContact N-O 3.09Å; S308-R335 CarbonylContact C-O 3.54Å; S308-R335 VanDerWaalsContact CA-O 3.22Å; S308-R335 WeakPolarHBondContact CA-O 3.34Å
309	I	97.6	Very high	96.1	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.2	174	-169.6	173.3	0	0	0	110.7	L285 W303 L306 L311 W328 F332 R335 Y336	L285-I309 HydrophobicContact CB-CG1 4.48Å; L285-I309 CarbonylContact O-C 3.39Å; L285-I309 VanDerWaalsContact O-CA 3.22Å; L285-I309 WeakPolarHBondContact O-CA 3.33Å; W303-I309 HydrophobicContact CD2-CD1 4.4Å; W303-I309 HydrophobicContact CE3-CD1 3.71Å; W303-I309 HydrophobicContact CH2-CD1 3.73Å; W303-I309 HydrophobicContact CZ2-CD1 4.41Å; W303-I309 HydrophobicContact CZ3-CD1 3.32Å; L306-I309 HydrophobicContact CD1-CB 4.37Å; L306-I309 HydrophobicContact CD1-CD1 4.02Å; L306-I309 HydrophobicContact CD1-CG1 4.45Å; I309-L311 HydrophobicContact CD1-CD1 3.94Å; I309-L311 HydrophobicContact CD1-CD2 4.1Å; I309-L311 HydrophobicContact CD1-CG 3.99Å; I309-L311 HydrophobicContact CG1-CD1 4.39Å; I309-L311 HydrophobicContact CG1-CD2 4.37Å; I309-L311 HydrophobicContact CG1-CG 4.02Å; I309-W328 HydrophobicContact CD1-CH2 4.11Å; I309-W328 HydrophobicContact CD1-CZ3 4.25Å; I309-W328 HydrophobicContact CG2-CH2 4.14Å; I309-W328 HydrophobicContact CG2-CZ3 4.16Å; I309-F332 HydrophobicContact CG2-CD1 4.29Å; I309-F332 HydrophobicContact CG2-CE1 3.68Å; I309-F332 HydrophobicContact CG2-CZ 4.13Å; I309-R335 PolarHBondContact N-O 3.08Å; I309-Y336 WeakPolarHBondContact O-CA 3.43Å; I309-Y336 WeakPolarHBondContact O-CB 3.38Å
310	S	97.4	Very high	95.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.9	169	74.7	0	0	0	0	110.2	L285 Q286 L287 D288 D337	L285-S310 PolarHBondContact O-N 3.06Å; Q286-S310 WeakPolarHBondContact CA-OG 3.3Å; Q286-S310 WeakPolarHBondContact CB-OG 3.22Å; Q286-S310 PolarHBondContact OE1-OG 2.83Å; L287-S310 CarbonylContact C-O 3.44Å; L287-S310 WeakPolarHBondContact CA-O 3.35Å; L287-S310 WeakPolarHBondContact CB-O 3.26Å; L287-S310 PolarHBondContact N-O 2.88Å; L287-S310 PolarHBondContact N-OG 3.29Å; D288-S310 WeakPolarHBondContact CB-OG 3.49Å; D288-S310 PolarHBondContact N-O 2.92Å; D288-S310 PolarHBondContact N-OG 3.13Å; D288-S310 VanDerWaalsContact N-OG 3.15Å; D288-S310 WeakPolarHBondContact OD1-CB 3.17Å; D288-S310 PolarHBondContact OD1-OG 3.32Å; S310-D337 WeakPolarHBondContact CA-OD2 3.33Å; S310-D337 WeakPolarHBondContact CB-OD2 3.48Å
311	L	97.1	Very high	95.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.25	C	C	.	.			trans	-140.7	-3.6	-174.6	-72.5	175.5	0	0	0	112.4	L287 I309 N314 W316 L325 L329 D337 L340	L287-L311 HydrophobicContact CB-CD2 4.04Å; L287-L311 HydrophobicContact CD1-CD2 4.23Å; I309-L311 HydrophobicContact CD1-CD1 3.94Å; I309-L311 HydrophobicContact CD1-CD2 4.1Å; I309-L311 HydrophobicContact CD1-CG 3.99Å; I309-L311 HydrophobicContact CG1-CD1 4.39Å; I309-L311 HydrophobicContact CG1-CD2 4.37Å; I309-L311 HydrophobicContact CG1-CG 4.02Å; L311-N314 PolarHBondContact O-ND2 3.15Å; L311-W316 HydrophobicContact CB-CZ2 3.9Å; L311-W316 HydrophobicContact CD2-CH2 4.07Å; L311-W316 HydrophobicContact CD2-CZ2 3.88Å; L311-W316 HydrophobicContact CG-CZ2 4.3Å; L311-W316 PolarHBondContact O-NE1 2.86Å; L311-W316 VanDerWaalsContact O-NE1 3.15Å; L311-L325 HydrophobicContact CD1-CD1 3.98Å; L311-L329 HydrophobicContact CD1-CD2 4.29Å; L311-D337 PolarHBondContact N-OD2 3.2Å; L311-L340 HydrophobicContact CB-CD2 3.76Å; L311-L340 HydrophobicContact CB-CG 4.15Å; L311-L340 HydrophobicContact CD1-CD2 4.04Å
312	A	96.7	Very high	95.5	Very high	22 Å²	22	40.2 Å²	40.2	18%	0.182	23%	0.226	C	C	.	.			trans	-61.9	161.1	-180	0	0	0	0	0	112.3	D288 S289 N314 D337	D288-A312 CarbonylContact C-O 3.47Å; D288-A312 WeakPolarHBondContact CA-O 3.49Å; D288-A312 WeakPolarHBondContact CB-O 3.46Å; S289-A312 PolarHBondContact N-O 3.43Å; A312-N314 VanDerWaalsContact C-N 3.25Å; A312-N314 PolarHBondContact O-N 2.97Å; A312-D337 HydrophobicContact CB-CB 3.86Å; A312-D337 PolarHBondContact N-OD2 3.4Å
313	A	96	Very high	95.5	Very high	68 Å²	68	40.5 Å²	40.5	56%	0.562	23%	0.228	S	C	*	.	S	Bend	trans	55	38	178.2	0	0	0	0	0	114.1	S289 N290	S289-A313 VanDerWaalsContact CA-O 3.25Å; S289-A313 WeakPolarHBondContact CA-O 3.4Å; N290-A313 PolarHBondContact N-O 2.95Å
314	N	97.2	Very high	95.6	Very high	16 Å²	16	41.8 Å²	41.8	9%	0.086	24%	0.241	C	C	.	.	S	Bend	trans	-102.2	173.1	164.3	-83.3	-76	0	0	0	110.1	L287 N290 R291 L292 L311 A312 W316	L287-N314 PolarHBondContact O-ND2 2.88Å; N290-N314 WeakPolarHBondContact CA-OD1 3.32Å; N290-N314 WeakPolarHBondContact CB-OD1 3.37Å; N290-N314 PolarHBondContact O-OD1 3.25Å; R291-N314 PolarHBondContact N-OD1 2.93Å; L292-N314 HydrophobicContact CB-CB 4.3Å; L292-N314 WeakPolarHBondContact CB-OD1 3.01Å; L292-N314 PolarHBondContact N-OD1 2.98Å; L311-N314 PolarHBondContact O-ND2 3.15Å; A312-N314 VanDerWaalsContact C-N 3.25Å; A312-N314 PolarHBondContact O-N 2.97Å; N314-W316 HydrophobicContact CB-CD2 4.14Å; N314-W316 HydrophobicContact CB-CG 4.45Å; N314-W316 HydrophobicContact CB-CH2 4.48Å; N314-W316 HydrophobicContact CB-CZ2 3.74Å; N314-W316 PolarHBondContact O-N 3.26Å
315	A	96.6	Very high	95.8	Very high	37 Å²	37	33.4 Å²	33.4	31%	0.306	20%	0.204	S	C	.	.			trans	-99.3	54.4	-178.4	0	0	0	0	0	111.3	L292 T293 D317 A343	L292-A315 CarbonylContact O-C 3.05Å; L292-A315 WeakPolarHBondContact O-CA 3.38Å; L292-A315 PolarHBondContact O-N 3.39Å; T293-A315 WeakPolarHBondContact CA-O 3.47Å; T293-A315 HydrophobicContact CG2-CB 4.49Å; T293-A315 WeakPolarHBondContact CG2-O 3.12Å; A315-D317 PolarHBondContact O-N 3.28Å; A315-A343 HydrophobicContact CB-CB 4.13Å
316	W	96.9	Very high	95.7	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	126.4	-171.6	-63	117.9	0	0	0	112.7	L292 V295 L311 N314 C318 L325 A343 T344 V353	L292-W316 HydrophobicContact CB-CH2 3.95Å; L292-W316 HydrophobicContact CB-CZ3 4.04Å; L292-W316 HydrophobicContact CD1-CH2 4.25Å; V295-W316 HydrophobicContact CG2-CH2 3.67Å; V295-W316 HydrophobicContact CG2-CZ3 3.75Å; L311-W316 HydrophobicContact CB-CZ2 3.9Å; L311-W316 HydrophobicContact CD2-CH2 4.07Å; L311-W316 HydrophobicContact CD2-CZ2 3.88Å; L311-W316 HydrophobicContact CG-CZ2 4.3Å; L311-W316 PolarHBondContact O-NE1 2.86Å; L311-W316 VanDerWaalsContact O-NE1 3.15Å; N314-W316 HydrophobicContact CB-CD2 4.14Å; N314-W316 HydrophobicContact CB-CG 4.45Å; N314-W316 HydrophobicContact CB-CH2 4.48Å; N314-W316 HydrophobicContact CB-CZ2 3.74Å; N314-W316 PolarHBondContact O-N 3.26Å; W316-C318 PolarHBondContact O-N 2.86Å; W316-L325 HydrophobicContact CD2-CD2 4.17Å; W316-L325 HydrophobicContact CE3-CD2 3.79Å; W316-L325 HydrophobicContact CH2-CD2 3.81Å; W316-L325 HydrophobicContact CZ2-CD2 4.16Å; W316-L325 HydrophobicContact CZ3-CD2 3.61Å; W316-A343 PolarHBondContact O-N 2.84Å; W316-T344 PolarHBondContact O-N 2.91Å; W316-V353 HydrophobicContact CB-CG2 4.04Å; W316-V353 HydrophobicContact CG-CG2 4.14Å
317	D	96.6	Very high	95.6	Very high	35 Å²	35	33.8 Å²	33.8	19%	0.187	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	97.5	172.9	178.8	39.3	0	0	0	109.8	T293 A315 S319 T344	T293-D317 PolarHBondContact O-N 2.79Å; A315-D317 PolarHBondContact O-N 3.28Å; D317-S319 PolarHBondContact O-N 2.97Å; D317-S319 WeakPolarHBondContact OD2-CB 3.33Å; D317-S319 PolarHBondContact OD2-OG 3.07Å; D317-T344 VanDerWaalsContact CA-OG1 3.32Å; D317-T344 WeakPolarHBondContact CA-OG1 2.98Å; D317-T344 WeakPolarHBondContact CB-OG1 3.36Å; D317-T344 PolarHBondContact OD1-OG1 3.48Å
318	C	96	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.192	C	C	.	.			trans	-78.3	53.2	178.3	-65.2	0	0	0	0	111.8	W316 C342 T344 P345 A348 L362	W316-C318 PolarHBondContact O-N 2.86Å; C318-C342 HydrophobicContact CB-CB 3.72Å; C318-C342 WeakPolarHBondContact CB-SG 3.35Å; C318-C342 VanDerWaalsContact SG-CA 3.53Å; C318-C342 WeakPolarHBondContact SG-CB 3.45Å; C318-C342 CovalentContact SG-SG 2.01Å; C318-C342 PolarHBondContact SG-SG 3.24Å; C318-T344 PolarHBondContact N-O 2.8Å; C318-P345 WeakPolarHBondContact O-CD 3.39Å; C318-A348 HydrophobicContact CB-CB 4.23Å; C318-L362 HydrophobicContact CB-CD1 4.27Å; C318-L362 WeakPolarHBondContact O-CD1 3.32Å
319	S	93.3	Very high	95.5	Very high	32 Å²	32	30.2 Å²	30.2	22%	0.224	18%	0.181	C	C	.	.	S	Bend	trans	-101.7	-159.3	163.9	73.9	0	0	0	0	109.1	D317 N321 V322	D317-S319 PolarHBondContact O-N 2.97Å; D317-S319 WeakPolarHBondContact OD2-CB 3.33Å; D317-S319 PolarHBondContact OD2-OG 3.07Å; S319-N321 PolarHBondContact O-N 3.26Å; S319-N321 VanDerWaalsContact O-N 3.15Å; S319-V322 WeakPolarHBondContact O-CG1 3.33Å; S319-V322 PolarHBondContact O-N 2.98Å
320	R	91.2	Very high	95.3	Very high	148 Å²	148	34 Å²	34	56%	0.558	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-63.5	-19.8	177.5	-157.6	166.6	-135.8	-138.8	-8.5	113.5	V322 C323 E364 D365	R320-V322 VanDerWaalsContact C-N 3.28Å; R320-V322 PolarHBondContact O-N 3.12Å; R320-C323 WeakPolarHBondContact O-CB 3.31Å; R320-C323 PolarHBondContact O-N 2.72Å; R320-C323 PolarHBondContact O-SG 3.09Å; R320-C323 VanDerWaalsContact O-SG 3.33Å; R320-E364 PolarHBondContact NH2-O 3.49Å; R320-D365 IonicContact NH2-OD1 3.62Å; R320-D365 PolarHBondContact NH2-OD1 3.04Å; R320-D365 VanDerWaalsContact NH2-OD1 3.15Å
321	N	89.1	Confident	95.2	Very high	90 Å²	90	39.8 Å²	39.8	48%	0.481	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-69.7	-23.8	-179.4	-67.9	-28.6	0	0	0	113.3	Y294 S319 C323	Y294-N321 HydrophobicContact CG-CB 4.37Å; S319-N321 PolarHBondContact O-N 3.26Å; S319-N321 VanDerWaalsContact O-N 3.15Å; N321-C323 VanDerWaalsContact C-N 3.29Å; N321-C323 PolarHBondContact O-N 3.33Å
322	V	94.7	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-76.9	-16.5	179.9	86.3	0	0	0	0	112.9	S319 R320 A324 L325 A326 V353 V357 L362	S319-V322 WeakPolarHBondContact O-CG1 3.33Å; S319-V322 PolarHBondContact O-N 2.98Å; R320-V322 VanDerWaalsContact C-N 3.28Å; R320-V322 PolarHBondContact O-N 3.12Å; V322-A324 VanDerWaalsContact C-N 3.32Å; V322-A324 PolarHBondContact O-N 3.1Å; V322-L325 HydrophobicContact CG2-CD2 4.48Å; V322-L325 WeakPolarHBondContact O-CB 3.01Å; V322-L325 PolarHBondContact O-N 2.84Å; V322-A326 PolarHBondContact O-N 3.32Å; V322-V353 HydrophobicContact CG2-CG1 3.51Å; V322-V353 HydrophobicContact CG2-CG2 4.35Å; V322-V357 HydrophobicContact CG1-CG2 3.65Å; V322-L362 HydrophobicContact CG1-CD1 4.47Å
323	C	94.7	Very high	95	Very high	24 Å²	24	50.1 Å²	50.1	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-39.8	-171.7	-67.1	0	0	0	0	114	R320 N321 L325 A326 S327 C363	R320-C323 WeakPolarHBondContact O-CB 3.31Å; R320-C323 PolarHBondContact O-N 2.72Å; R320-C323 PolarHBondContact O-SG 3.09Å; R320-C323 VanDerWaalsContact O-SG 3.33Å; N321-C323 VanDerWaalsContact C-N 3.29Å; N321-C323 PolarHBondContact O-N 3.33Å; C323-L325 VanDerWaalsContact C-N 3.34Å; C323-L325 PolarHBondContact O-N 3.35Å; C323-A326 PolarHBondContact O-N 3.43Å; C323-S327 WeakPolarHBondContact O-CB 3.11Å; C323-S327 PolarHBondContact O-N 2.97Å; C323-C363 WeakPolarHBondContact CA-SG 3.26Å; C323-C363 HydrophobicContact CB-CB 3.8Å; C323-C363 WeakPolarHBondContact CB-SG 3.36Å; C323-C363 WeakPolarHBondContact SG-CA 3.18Å; C323-C363 WeakPolarHBondContact SG-CB 3.5Å; C323-C363 CovalentContact SG-SG 2.03Å; C323-C363 PolarHBondContact SG-SG 3.24Å
324	A	95.1	Very high	95	Very high	40 Å²	40	48.1 Å²	48.1	33%	0.331	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-42.5	177.1	0	0	0	0	0	111.3	L300 V322 W328	L300-A324 VanDerWaalsContact CD1-C 3.43Å; L300-A324 HydrophobicContact CD1-CB 3.81Å; L300-A324 WeakPolarHBondContact CD1-O 3.46Å; V322-A324 VanDerWaalsContact C-N 3.32Å; V322-A324 PolarHBondContact O-N 3.1Å; A324-W328 WeakPolarHBondContact O-CB 3.47Å; A324-W328 PolarHBondContact O-N 2.93Å
325	L	96.1	Very high	94.9	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-44.4	177	177	63.7	0	0	0	111.3	V295 L300 L311 W316 V322 C323 W328 L329	V295-L325 HydrophobicContact CG2-CD1 4.34Å; V295-L325 HydrophobicContact CG2-CD2 4.42Å; L300-L325 HydrophobicContact CD1-CB 4.48Å; L300-L325 HydrophobicContact CD2-CD1 3.97Å; L311-L325 HydrophobicContact CD1-CD1 3.98Å; W316-L325 HydrophobicContact CD2-CD2 4.17Å; W316-L325 HydrophobicContact CE3-CD2 3.79Å; W316-L325 HydrophobicContact CH2-CD2 3.81Å; W316-L325 HydrophobicContact CZ2-CD2 4.16Å; W316-L325 HydrophobicContact CZ3-CD2 3.61Å; V322-L325 HydrophobicContact CG2-CD2 4.48Å; V322-L325 WeakPolarHBondContact O-CB 3.01Å; V322-L325 PolarHBondContact O-N 2.84Å; C323-L325 VanDerWaalsContact C-N 3.34Å; C323-L325 PolarHBondContact O-N 3.35Å; L325-W328 PolarHBondContact O-N 2.99Å; L325-L329 HydrophobicContact CD1-CD1 4.07Å; L325-L329 HydrophobicContact CD1-CG 4.13Å; L325-L329 HydrophobicContact CD2-CD1 4.49Å; L325-L329 HydrophobicContact CG-CD1 3.86Å; L325-L329 HydrophobicContact CG-CG 4.35Å; L325-L329 WeakPolarHBondContact O-CB 3.33Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.46Å; L325-L329 PolarHBondContact O-N 3.25Å
326	A	95.4	Very high	94.9	Very high	5 Å²	5	59.1 Å²	59.1	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-46.2	179.5	0	0	0	0	0	112.1	V322 C323 W328 L329 S330 V353 L354 V357	V322-A326 PolarHBondContact O-N 3.32Å; C323-A326 PolarHBondContact O-N 3.43Å; A326-W328 VanDerWaalsContact C-N 3.31Å; A326-W328 PolarHBondContact O-N 2.9Å; A326-L329 PolarHBondContact O-N 3Å; A326-S330 PolarHBondContact O-N 3.35Å; A326-V353 HydrophobicContact CB-CG1 4.49Å; A326-L354 HydrophobicContact CB-CD2 3.97Å; A326-V357 HydrophobicContact CB-CG2 3.85Å
327	S	95.2	Very high	94.5	Very high	68 Å²	68	61.9 Å²	61.9	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-37.3	174.1	176.5	0	0	0	0	112.3	C323 S330 D331	C323-S327 WeakPolarHBondContact O-CB 3.11Å; C323-S327 PolarHBondContact O-N 2.97Å; S327-S330 PolarHBondContact O-OG 3.03Å; S327-D331 PolarHBondContact O-N 3.13Å
328	W	96.4	Very high	93.6	Very high	42 Å²	42	62.9 Å²	62.9	16%	0.159	33%	0.332	C	S	.	.	H	α-helix	trans	-67.1	-41.4	176.2	-176.5	91.5	0	0	0	111.5	L300 W303 L306 I309 A324 L325 A326 D331 F332	L300-W328 HydrophobicContact CB-CB 4.49Å; L300-W328 HydrophobicContact CB-CG 4.18Å; L300-W328 HydrophobicContact CD1-CB 4.16Å; L300-W328 HydrophobicContact CD2-CB 4.16Å; L300-W328 HydrophobicContact CD2-CD2 4.05Å; L300-W328 HydrophobicContact CD2-CE3 4.42Å; L300-W328 HydrophobicContact CD2-CG 3.92Å; L300-W328 HydrophobicContact CG-CG 4.46Å; L300-W328 PolarHBondContact O-NE1 3.06Å; W303-W328 HydrophobicContact CB-CZ2 3.92Å; W303-W328 HydrophobicContact CD2-CZ2 4.5Å; W303-W328 HydrophobicContact CE3-CD2 4.42Å; W303-W328 AromaticContact CE3-CH2 3.86Å; W303-W328 HydrophobicContact CE3-CH2 3.86Å; W303-W328 AromaticContact CE3-CZ2 3.73Å; W303-W328 HydrophobicContact CE3-CZ2 3.73Å; W303-W328 HydrophobicContact CE3-CZ3 4.24Å; W303-W328 HydrophobicContact CZ3-CH2 4.43Å; W303-W328 HydrophobicContact CZ3-CZ3 4.43Å; L306-W328 HydrophobicContact CD1-CH2 4.4Å; L306-W328 HydrophobicContact CD1-CZ2 4.48Å; I309-W328 HydrophobicContact CD1-CH2 4.11Å; I309-W328 HydrophobicContact CD1-CZ3 4.25Å; I309-W328 HydrophobicContact CG2-CH2 4.14Å; I309-W328 HydrophobicContact CG2-CZ3 4.16Å; A324-W328 WeakPolarHBondContact O-CB 3.47Å; A324-W328 PolarHBondContact O-N 2.93Å; L325-W328 PolarHBondContact O-N 2.99Å; A326-W328 VanDerWaalsContact C-N 3.31Å; A326-W328 PolarHBondContact O-N 2.9Å; W328-D331 PolarHBondContact O-N 3.18Å; W328-F332 HydrophobicContact CE3-CB 4.26Å; W328-F332 HydrophobicContact CH2-CB 4.25Å; W328-F332 HydrophobicContact CH2-CD1 4.08Å; W328-F332 AromaticContact CH2-CD2 3.43Å; W328-F332 HydrophobicContact CH2-CD2 3.43Å; W328-F332 VanDerWaalsContact CH2-CD2 3.43Å; W328-F332 HydrophobicContact CH2-CE1 4.28Å; W328-F332 AromaticContact CH2-CE2 3.67Å; W328-F332 HydrophobicContact CH2-CE2 3.67Å; W328-F332 AromaticContact CH2-CG 3.66Å; W328-F332 HydrophobicContact CH2-CG 3.66Å; W328-F332 HydrophobicContact CH2-CZ 4.08Å; W328-F332 AromaticContact CZ2-CD2 3.61Å; W328-F332 HydrophobicContact CZ2-CD2 3.61Å; W328-F332 AromaticContact CZ2-CE2 3.94Å; W328-F332 HydrophobicContact CZ2-CE2 3.94Å; W328-F332 HydrophobicContact CZ2-CG 4.2Å; W328-F332 HydrophobicContact CZ3-CB 4.06Å; W328-F332 HydrophobicContact CZ3-CD1 4.15Å; W328-F332 HydrophobicContact CZ3-CD2 4.1Å; W328-F332 AromaticContact CZ3-CG 3.85Å; W328-F332 HydrophobicContact CZ3-CG 3.85Å; W328-F332 WeakPolarHBondContact O-CB 3.31Å; W328-F332 PolarHBondContact O-N 3.23Å
329	L	95.6	Very high	93	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.016	36%	0.362	C	S	.	.	H	α-helix	trans	-66	-38	178.4	-74.7	168.8	0	0	0	112.6	L311 L325 A326 D331 F332 Y336 L340 L354	L311-L329 HydrophobicContact CD1-CD2 4.29Å; L325-L329 HydrophobicContact CD1-CD1 4.07Å; L325-L329 HydrophobicContact CD1-CG 4.13Å; L325-L329 HydrophobicContact CD2-CD1 4.49Å; L325-L329 HydrophobicContact CG-CD1 3.86Å; L325-L329 HydrophobicContact CG-CG 4.35Å; L325-L329 WeakPolarHBondContact O-CB 3.33Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.46Å; L325-L329 PolarHBondContact O-N 3.25Å; A326-L329 PolarHBondContact O-N 3Å; L329-D331 VanDerWaalsContact C-N 3.26Å; L329-D331 PolarHBondContact O-N 3.02Å; L329-F332 PolarHBondContact O-N 2.95Å; L329-Y336 HydrophobicContact CD2-CD2 3.93Å; L329-Y336 HydrophobicContact CD2-CE2 4.16Å; L329-Y336 HydrophobicContact CD2-CG 4.14Å; L329-L340 HydrophobicContact CD1-CD2 3.69Å; L329-L354 HydrophobicContact CB-CD2 4.22Å
330	S	93.5	Very high	93.1	Very high	82 Å²	82	67.3 Å²	67.3	57%	0.573	35%	0.352	S	S	*	.	H	α-helix	trans	-63.6	-33.4	176.6	61.6	0	0	0	0	112.7	A326 S327	A326-S330 PolarHBondContact O-N 3.35Å; S327-S330 PolarHBondContact O-OG 3.03Å
331	D	95.2	Very high	93.4	Very high	121 Å²	121	64.4 Å²	64.4	65%	0.647	35%	0.348	S	S	*	.	H	α-helix	trans	-88.3	-14.6	179.2	-68.5	-18.7	0	0	0	113.1	S327 W328 L329 K333	S327-D331 PolarHBondContact O-N 3.13Å; W328-D331 PolarHBondContact O-N 3.18Å; L329-D331 VanDerWaalsContact C-N 3.26Å; L329-D331 PolarHBondContact O-N 3.02Å; D331-K333 PolarHBondContact O-N 3.15Å
332	F	96.2	Very high	93.7	Very high	31 Å²	31	60.3 Å²	60.3	14%	0.136	33%	0.326	C	S	.	.			trans	-73.3	113.6	-174.3	-175	-117.4	0	0	0	111.8	L306 I309 W328 L329 G334 Y336	L306-F332 HydrophobicContact CB-CE2 3.93Å; L306-F332 HydrophobicContact CB-CZ 4.15Å; L306-F332 WeakPolarHBondContact O-CE2 3.28Å; I309-F332 HydrophobicContact CG2-CD1 4.29Å; I309-F332 HydrophobicContact CG2-CE1 3.68Å; I309-F332 HydrophobicContact CG2-CZ 4.13Å; W328-F332 HydrophobicContact CE3-CB 4.26Å; W328-F332 HydrophobicContact CH2-CB 4.25Å; W328-F332 HydrophobicContact CH2-CD1 4.08Å; W328-F332 AromaticContact CH2-CD2 3.43Å; W328-F332 HydrophobicContact CH2-CD2 3.43Å; W328-F332 VanDerWaalsContact CH2-CD2 3.43Å; W328-F332 HydrophobicContact CH2-CE1 4.28Å; W328-F332 AromaticContact CH2-CE2 3.67Å; W328-F332 HydrophobicContact CH2-CE2 3.67Å; W328-F332 AromaticContact CH2-CG 3.66Å; W328-F332 HydrophobicContact CH2-CG 3.66Å; W328-F332 HydrophobicContact CH2-CZ 4.08Å; W328-F332 AromaticContact CZ2-CD2 3.61Å; W328-F332 HydrophobicContact CZ2-CD2 3.61Å; W328-F332 AromaticContact CZ2-CE2 3.94Å; W328-F332 HydrophobicContact CZ2-CE2 3.94Å; W328-F332 HydrophobicContact CZ2-CG 4.2Å; W328-F332 HydrophobicContact CZ3-CB 4.06Å; W328-F332 HydrophobicContact CZ3-CD1 4.15Å; W328-F332 HydrophobicContact CZ3-CD2 4.1Å; W328-F332 AromaticContact CZ3-CG 3.85Å; W328-F332 HydrophobicContact CZ3-CG 3.85Å; W328-F332 WeakPolarHBondContact O-CB 3.31Å; W328-F332 PolarHBondContact O-N 3.23Å; L329-F332 PolarHBondContact O-N 2.95Å; F332-G334 VanDerWaalsContact C-N 3.32Å; F332-G334 VanDerWaalsContact CE1-C 3.48Å; F332-G334 VanDerWaalsContact CE1-CA 3.42Å; F332-G334 PolarHBondContact O-N 3.1Å; F332-Y336 AromaticContact CD1-CD1 3.84Å; F332-Y336 HydrophobicContact CD1-CD1 3.84Å; F332-Y336 HydrophobicContact CE1-CD1 4.38Å
333	K	95	Very high	93.8	Very high	210 Å²	210	61.9 Å²	61.9	91%	0.913	34%	0.339	S	S	*	.			trans	-84.6	-2	-179.9	-60.8	-178.3	-179.2	177.1	0	114.3	D331	D331-K333 PolarHBondContact O-N 3.15Å
334	G	94.9	Very high	93.9	Very high	26 Å²	26	63.7 Å²	63.7	27%	0.268	35%	0.349	S	S	.	.	S	Bend	trans	-83.7	-169.1	-179.2	0	0	0	0	0	112.9	T307 F332	T307-G334 CarbonylContact O-C 3.08Å; T307-G334 VanDerWaalsContact O-CA 3.31Å; T307-G334 WeakPolarHBondContact O-CA 3.3Å; F332-G334 VanDerWaalsContact C-N 3.32Å; F332-G334 VanDerWaalsContact CE1-C 3.48Å; F332-G334 VanDerWaalsContact CE1-CA 3.42Å; F332-G334 PolarHBondContact O-N 3.1Å
335	R	95.7	Very high	93.9	Very high	202 Å²	202	63.5 Å²	63.5	76%	0.762	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	130	174.6	-63	-177.5	-177.8	-175.2	-0.1	110	T307 S308 I309	T307-R335 PolarHBondContact O-N 2.98Å; S308-R335 CarbonylContact C-O 3.54Å; S308-R335 VanDerWaalsContact CA-O 3.22Å; S308-R335 WeakPolarHBondContact CA-O 3.34Å; I309-R335 PolarHBondContact N-O 3.08Å
336	Y	95.3	Very high	93.8	Very high	82 Å²	82	71.7 Å²	71.7	32%	0.322	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163	169.7	67.3	-81.7	0	0	0	111	I309 L329 F332 G338 L340	I309-Y336 WeakPolarHBondContact O-CA 3.43Å; I309-Y336 WeakPolarHBondContact O-CB 3.38Å; L329-Y336 HydrophobicContact CD2-CD2 3.93Å; L329-Y336 HydrophobicContact CD2-CE2 4.16Å; L329-Y336 HydrophobicContact CD2-CG 4.14Å; F332-Y336 AromaticContact CD1-CD1 3.84Å; F332-Y336 HydrophobicContact CD1-CD1 3.84Å; F332-Y336 HydrophobicContact CE1-CD1 4.38Å; Y336-G338 PolarHBondContact O-N 3.35Å; Y336-L340 HydrophobicContact CD2-CD1 4.06Å; Y336-L340 HydrophobicContact CE2-CD1 4.39Å
337	D	90.5	Very high	93.7	Very high	59 Å²	59	77.8 Å²	77.8	32%	0.316	41%	0.406	S	S	.	.			trans	-65.7	128.1	176	-51.4	-45.2	0	0	0	109.2	S310 L311 A312 N339 L340	S310-D337 WeakPolarHBondContact CA-OD2 3.33Å; S310-D337 WeakPolarHBondContact CB-OD2 3.48Å; L311-D337 PolarHBondContact N-OD2 3.2Å; A312-D337 HydrophobicContact CB-CB 3.86Å; A312-D337 PolarHBondContact N-OD2 3.4Å; D337-N339 VanDerWaalsContact C-N 3.27Å; D337-N339 PolarHBondContact O-N 3.05Å; D337-L340 WeakPolarHBondContact O-CD1 3.5Å
338	G	76.8	Confident	93.6	Very high	56 Å²	56	74.6 Å²	74.6	58%	0.577	38%	0.383	S	S	*	.	S	Bend	trans	-80.8	9.1	-174	0	0	0	0	0	116.5	Y336	Y336-G338 PolarHBondContact O-N 3.35Å
339	N	84.1	Confident	93.6	Very high	121 Å²	121	78.4 Å²	78.4	65%	0.647	40%	0.403	S	S	*	.			trans	-130.8	71.8	-174.6	-65	14.3	0	0	0	110.2	D337 L341	D337-N339 VanDerWaalsContact C-N 3.27Å; D337-N339 PolarHBondContact O-N 3.05Å; N339-L341 PolarHBondContact O-N 3.48Å
340	L	94.8	Very high	93.5	Very high	3 Å²	3	80.4 Å²	80.4	2%	0.016	42%	0.424	C	S	.	.			trans	-90.6	100.3	174.9	-80.4	77.3	0	0	0	107.3	L311 L329 Y336 D337 D352 V353	L311-L340 HydrophobicContact CB-CD2 3.76Å; L311-L340 HydrophobicContact CB-CG 4.15Å; L311-L340 HydrophobicContact CD1-CD2 4.04Å; L329-L340 HydrophobicContact CD1-CD2 3.69Å; Y336-L340 HydrophobicContact CD2-CD1 4.06Å; Y336-L340 HydrophobicContact CE2-CD1 4.39Å; D337-L340 WeakPolarHBondContact O-CD1 3.5Å; L340-D352 PolarHBondContact N-OD2 3.08Å; L340-D352 CarbonylContact O-C 2.99Å; L340-D352 VanDerWaalsContact O-CA 3.31Å; L340-D352 WeakPolarHBondContact O-CA 3.45Å; L340-V353 HydrophobicContact CB-CB 4.11Å; L340-V353 HydrophobicContact CB-CG2 3.9Å; L340-V353 VanDerWaalsContact O-CG2 3.3Å; L340-V353 WeakPolarHBondContact O-CG2 3.35Å; L340-V353 PolarHBondContact O-N 3.41Å
341	L	96.3	Very high	93.6	Very high	88 Å²	88	81.2 Å²	81.2	46%	0.461	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-87.9	137	-176.4	-53.1	-179.4	0	0	0	111.7	N339 E351	N339-L341 PolarHBondContact O-N 3.48Å; L341-E351 CarbonylContact C-O 3.03Å; L341-E351 WeakPolarHBondContact CA-O 3.21Å
342	C	96.8	Very high	93.6	Very high	4 Å²	4	76.9 Å²	76.9	3%	0.027	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	131.9	169.2	-64	0	0	0	0	110.6	C318 A348 Q349 G350 E351 A356	C318-C342 HydrophobicContact CB-CB 3.72Å; C318-C342 WeakPolarHBondContact CB-SG 3.35Å; C318-C342 VanDerWaalsContact SG-CA 3.53Å; C318-C342 WeakPolarHBondContact SG-CB 3.45Å; C318-C342 CovalentContact SG-SG 2.01Å; C318-C342 PolarHBondContact SG-SG 3.24Å; C342-A348 HydrophobicContact CB-CB 4.33Å; C342-A348 WeakPolarHBondContact CB-O 3.45Å; C342-Q349 WeakPolarHBondContact O-CA 3.36Å; C342-G350 PolarHBondContact O-N 3.19Å; C342-E351 PolarHBondContact N-O 3.09Å; C342-A356 VanDerWaalsContact SG-CB 3.59Å
343	A	96.9	Very high	93.6	Very high	32 Å²	32	75.5 Å²	75.5	26%	0.264	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-37.2	173.6	0	0	0	0	0	111.9	A315 W316	A315-A343 HydrophobicContact CB-CB 4.13Å; W316-A343 PolarHBondContact O-N 2.84Å
344	T	95.4	Very high	93.6	Very high	63 Å²	63	67.8 Å²	67.8	39%	0.387	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	161.5	174.2	58	0	0	0	0	109.7	W316 D317 C318	W316-T344 PolarHBondContact O-N 2.91Å; D317-T344 VanDerWaalsContact CA-OG1 3.32Å; D317-T344 WeakPolarHBondContact CA-OG1 2.98Å; D317-T344 WeakPolarHBondContact CB-OG1 3.36Å; D317-T344 PolarHBondContact OD1-OG1 3.48Å; C318-T344 PolarHBondContact N-O 2.8Å
345	P	95.5	Very high	93.5	Very high	35 Å²	35	71.4 Å²	71.4	23%	0.227	37%	0.371	C	S	.	.	S	Bend	cis	-72.5	171.2	-15.4	31.8	-36	0	0	0	112.6	C318 Y347 A348 Q349	C318-P345 WeakPolarHBondContact O-CD 3.39Å; P345-Y347 HydrophobicContact CB-CD1 3.99Å; P345-Y347 HydrophobicContact CB-CE1 3.76Å; P345-Y347 HydrophobicContact CG-CD1 3.62Å; P345-Y347 HydrophobicContact CG-CD2 4.4Å; P345-Y347 HydrophobicContact CG-CE1 3.05Å; P345-Y347 HydrophobicContact CG-CE2 3.91Å; P345-Y347 HydrophobicContact CG-CG 4.26Å; P345-Y347 WeakPolarHBondContact CG-OH 3.48Å; P345-Y347 PolarHBondContact O-N 2.74Å; P345-Y347 VanDerWaalsContact O-N 3.09Å; P345-A348 PolarHBondContact O-N 3.14Å; P345-Q349 PolarHBondContact O-N 3.27Å
346	E	94.3	Very high	93.4	Very high	173 Å²	173	61.8 Å²	61.8	81%	0.808	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-53	-34.2	-173.8	-67.6	-178.7	176.1	0	0	114.2	A348 Q349	E346-A348 VanDerWaalsContact C-N 3.28Å; E346-A348 PolarHBondContact O-N 2.82Å; E346-Q349 PolarHBondContact O-N 3.49Å
347	Y	92.6	Very high	93.4	Very high	133 Å²	133	59.1 Å²	59.1	52%	0.522	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-70	-22.3	-179.1	67.1	-105.8	0	0	0	114	P345 F360	P345-Y347 HydrophobicContact CB-CD1 3.99Å; P345-Y347 HydrophobicContact CB-CE1 3.76Å; P345-Y347 HydrophobicContact CG-CD1 3.62Å; P345-Y347 HydrophobicContact CG-CD2 4.4Å; P345-Y347 HydrophobicContact CG-CE1 3.05Å; P345-Y347 HydrophobicContact CG-CE2 3.91Å; P345-Y347 HydrophobicContact CG-CG 4.26Å; P345-Y347 WeakPolarHBondContact CG-OH 3.48Å; P345-Y347 PolarHBondContact O-N 2.74Å; P345-Y347 VanDerWaalsContact O-N 3.09Å; Y347-F360 HydrophobicContact CD2-CD1 4.05Å; Y347-F360 HydrophobicContact CD2-CD2 4.22Å; Y347-F360 AromaticContact CD2-CE1 3.92Å; Y347-F360 HydrophobicContact CD2-CE1 3.92Å; Y347-F360 HydrophobicContact CD2-CE2 4.12Å; Y347-F360 HydrophobicContact CD2-CG 4.2Å; Y347-F360 AromaticContact CD2-CZ 3.97Å; Y347-F360 HydrophobicContact CD2-CZ 3.97Å; Y347-F360 HydrophobicContact CE2-CB 4.37Å; Y347-F360 HydrophobicContact CE2-CD1 4.15Å; Y347-F360 HydrophobicContact CE2-CD2 4Å; Y347-F360 HydrophobicContact CE2-CE1 4.46Å; Y347-F360 HydrophobicContact CE2-CE2 4.34Å; Y347-F360 AromaticContact CE2-CG 3.92Å; Y347-F360 HydrophobicContact CE2-CG 3.92Å; Y347-F360 WeakPolarHBondContact O-CZ 3.44Å
348	A	94.3	Very high	93.5	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-107.5	-1.3	179.8	0	0	0	0	0	112	C318 C342 P345 E346 G350 E351 A356 F360	C318-A348 HydrophobicContact CB-CB 4.23Å; C342-A348 HydrophobicContact CB-CB 4.33Å; C342-A348 WeakPolarHBondContact CB-O 3.45Å; P345-A348 PolarHBondContact O-N 3.14Å; E346-A348 VanDerWaalsContact C-N 3.28Å; E346-A348 PolarHBondContact O-N 2.82Å; A348-G350 PolarHBondContact O-N 2.98Å; A348-E351 WeakPolarHBondContact O-CB 3.19Å; A348-E351 PolarHBondContact O-N 3.29Å; A348-E351 VanDerWaalsContact O-N 3.16Å; A348-A356 HydrophobicContact CB-CB 4.45Å; A348-F360 HydrophobicContact CB-CD2 4.08Å; A348-F360 HydrophobicContact CB-CE2 3.65Å; A348-F360 HydrophobicContact CB-CZ 4.43Å
349	Q	95.5	Very high	94.2	Very high	123 Å²	123	66 Å²	66	58%	0.575	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	128	-171.7	-174.6	178.1	3.9	0	0	111.8	C342 P345 E346 E351	C342-Q349 WeakPolarHBondContact O-CA 3.36Å; P345-Q349 PolarHBondContact O-N 3.27Å; E346-Q349 PolarHBondContact O-N 3.49Å; Q349-E351 VanDerWaalsContact C-N 3.3Å
350	G	94.4	Very high	94.6	Very high	45 Å²	45	64.1 Å²	64.1	46%	0.464	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-6.6	-180	0	0	0	0	0	115.1	C342 A348	C342-G350 PolarHBondContact O-N 3.19Å; A348-G350 PolarHBondContact O-N 2.98Å
351	E	94.9	Very high	94.4	Very high	99 Å²	99	69.1 Å²	69.1	46%	0.463	36%	0.356	S	S	.	.	S	Bend	trans	-76.4	153.4	169.4	-64.4	-62	153.6	0	0	110.8	L341 C342 A348 Q349 A356	L341-E351 CarbonylContact C-O 3.03Å; L341-E351 WeakPolarHBondContact CA-O 3.21Å; C342-E351 PolarHBondContact N-O 3.09Å; A348-E351 WeakPolarHBondContact O-CB 3.19Å; A348-E351 PolarHBondContact O-N 3.29Å; A348-E351 VanDerWaalsContact O-N 3.16Å; Q349-E351 VanDerWaalsContact C-N 3.3Å; E351-A356 HydrophobicContact CB-CB 4.19Å
352	D	95.6	Very high	94.1	Very high	30 Å²	30	66.1 Å²	66.1	16%	0.16	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-67.9	142.1	170.3	-172.8	-90.3	0	0	0	110.4	L340 L354 D355 A356	L340-D352 PolarHBondContact N-OD2 3.08Å; L340-D352 CarbonylContact O-C 2.99Å; L340-D352 VanDerWaalsContact O-CA 3.31Å; L340-D352 WeakPolarHBondContact O-CA 3.45Å; D352-L354 VanDerWaalsContact C-N 3.3Å; D352-L354 PolarHBondContact O-N 3.01Å; D352-L354 PolarHBondContact OD1-N 3.28Å; D352-D355 HydrophobicContact CB-CB 4.22Å; D352-D355 PolarHBondContact O-N 3.29Å; D352-A356 WeakPolarHBondContact O-CB 3.3Å; D352-A356 PolarHBondContact O-N 2.01Å
353	V	95.6	Very high	93.8	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.006	35%	0.354	C	S	.	.	H	α-helix	trans	-55.6	-42.7	-177.2	163.5	0	0	0	0	111.9	W316 V322 A326 L340 V357	W316-V353 HydrophobicContact CB-CG2 4.04Å; W316-V353 HydrophobicContact CG-CG2 4.14Å; V322-V353 HydrophobicContact CG2-CG1 3.51Å; V322-V353 HydrophobicContact CG2-CG2 4.35Å; A326-V353 HydrophobicContact CB-CG1 4.49Å; L340-V353 HydrophobicContact CB-CB 4.11Å; L340-V353 HydrophobicContact CB-CG2 3.9Å; L340-V353 VanDerWaalsContact O-CG2 3.3Å; L340-V353 WeakPolarHBondContact O-CG2 3.35Å; L340-V353 PolarHBondContact O-N 3.41Å; V353-V357 VanDerWaalsContact O-CG2 3.3Å; V353-V357 WeakPolarHBondContact O-CG2 3.44Å; V353-V357 PolarHBondContact O-N 3.47Å; V353-V357 VanDerWaalsContact O-N 3.13Å
354	L	94.4	Very high	93.3	Very high	48 Å²	48	72.5 Å²	72.5	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-72.2	-39.3	-178.7	-65.7	179.4	0	0	0	111.3	A326 L329 D352 V357 Y358	A326-L354 HydrophobicContact CB-CD2 3.97Å; L329-L354 HydrophobicContact CB-CD2 4.22Å; D352-L354 VanDerWaalsContact C-N 3.3Å; D352-L354 PolarHBondContact O-N 3.01Å; D352-L354 PolarHBondContact OD1-N 3.28Å; L354-V357 PolarHBondContact O-N 2.8Å; L354-Y358 PolarHBondContact O-N 3.08Å
355	D	94.3	Very high	92.1	Very high	102 Å²	102	75.9 Å²	75.9	55%	0.545	39%	0.385	S	S	.	.	H	α-helix	trans	-66.5	-42	177.3	-68.8	-22.5	0	0	0	111.1	D352 V357 Y358 A359	D352-D355 HydrophobicContact CB-CB 4.22Å; D352-D355 PolarHBondContact O-N 3.29Å; D355-V357 PolarHBondContact O-N 3.42Å; D355-Y358 PolarHBondContact O-N 3.16Å; D355-A359 VanDerWaalsContact O-CB 3.26Å; D355-A359 WeakPolarHBondContact O-CB 3.49Å; D355-A359 PolarHBondContact O-N 2.81Å
356	A	94.2	Very high	90.1	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-63	-41.2	176.9	0	0	0	0	0	112.2	C342 A348 E351 D352 Y358 A359 F360	C342-A356 VanDerWaalsContact SG-CB 3.59Å; A348-A356 HydrophobicContact CB-CB 4.45Å; E351-A356 HydrophobicContact CB-CB 4.19Å; D352-A356 WeakPolarHBondContact O-CB 3.3Å; D352-A356 PolarHBondContact O-N 2.01Å; A356-Y358 VanDerWaalsContact C-N 3.29Å; A356-Y358 PolarHBondContact O-N 2.83Å; A356-A359 PolarHBondContact O-N 3.22Å; A356-F360 HydrophobicContact CB-CD2 4.02Å; A356-F360 HydrophobicContact CB-CE2 4.14Å; A356-F360 WeakPolarHBondContact O-CB 3.37Å; A356-F360 WeakPolarHBondContact O-CD2 3.44Å; A356-F360 PolarHBondContact O-N 3.37Å
357	V	94.3	Very high	87.7	Confident	27 Å²	27	74.7 Å²	74.7	16%	0.164	41%	0.407	C	S	.	.	H	α-helix	trans	-59.9	-41.4	176.3	165.5	0	0	0	0	111.5	V322 A326 V353 L354 D355 H361 L362 C363	V322-V357 HydrophobicContact CG1-CG2 3.65Å; A326-V357 HydrophobicContact CB-CG2 3.85Å; V353-V357 VanDerWaalsContact O-CG2 3.3Å; V353-V357 WeakPolarHBondContact O-CG2 3.44Å; V353-V357 PolarHBondContact O-N 3.47Å; V353-V357 VanDerWaalsContact O-N 3.13Å; L354-V357 PolarHBondContact O-N 2.8Å; D355-V357 PolarHBondContact O-N 3.42Å; V357-H361 PolarHBondContact O-N 3.4Å; V357-L362 HydrophobicContact CG2-CD1 4.13Å; V357-L362 PolarHBondContact O-N 3.4Å; V357-C363 HydrophobicContact CG1-CB 4.07Å; V357-C363 WeakPolarHBondContact CG1-SG 3.41Å
358	Y	91.9	Very high	85.1	Confident	196 Å²	196	73.5 Å²	73.5	77%	0.769	41%	0.41	S	S	*	.	H	α-helix	trans	-73.1	-47.9	177.9	-176.8	-99.6	0	0	0	112.3	L354 D355 A356 F360 H361	L354-Y358 PolarHBondContact O-N 3.08Å; D355-Y358 PolarHBondContact O-N 3.16Å; A356-Y358 VanDerWaalsContact C-N 3.29Å; A356-Y358 PolarHBondContact O-N 2.83Å; Y358-F360 PolarHBondContact O-N 3.12Å; Y358-H361 PolarHBondContact O-N 3.4Å
359	A	92	Very high	82.7	Confident	64 Å²	64	79.7 Å²	79.7	53%	0.529	45%	0.45	S	S	.	.	H	α-helix	trans	-67.1	-34.8	-174.5	0	0	0	0	0	113.3	D355 A356	D355-A359 VanDerWaalsContact O-CB 3.26Å; D355-A359 WeakPolarHBondContact O-CB 3.49Å; D355-A359 PolarHBondContact O-N 2.81Å; A356-A359 PolarHBondContact O-N 3.22Å
360	F	91.9	Very high	80.3	Confident	81 Å²	81	79 Å²	79	36%	0.355	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.2	-177.4	-55.7	-64.2	0	0	0	113.7	Y347 A348 A356 Y358 L362	Y347-F360 HydrophobicContact CD2-CD1 4.05Å; Y347-F360 HydrophobicContact CD2-CD2 4.22Å; Y347-F360 AromaticContact CD2-CE1 3.92Å; Y347-F360 HydrophobicContact CD2-CE1 3.92Å; Y347-F360 HydrophobicContact CD2-CE2 4.12Å; Y347-F360 HydrophobicContact CD2-CG 4.2Å; Y347-F360 AromaticContact CD2-CZ 3.97Å; Y347-F360 HydrophobicContact CD2-CZ 3.97Å; Y347-F360 HydrophobicContact CE2-CB 4.37Å; Y347-F360 HydrophobicContact CE2-CD1 4.15Å; Y347-F360 HydrophobicContact CE2-CD2 4Å; Y347-F360 HydrophobicContact CE2-CE1 4.46Å; Y347-F360 HydrophobicContact CE2-CE2 4.34Å; Y347-F360 AromaticContact CE2-CG 3.92Å; Y347-F360 HydrophobicContact CE2-CG 3.92Å; Y347-F360 WeakPolarHBondContact O-CZ 3.44Å; A348-F360 HydrophobicContact CB-CD2 4.08Å; A348-F360 HydrophobicContact CB-CE2 3.65Å; A348-F360 HydrophobicContact CB-CZ 4.43Å; A356-F360 HydrophobicContact CB-CD2 4.02Å; A356-F360 HydrophobicContact CB-CE2 4.14Å; A356-F360 WeakPolarHBondContact O-CB 3.37Å; A356-F360 WeakPolarHBondContact O-CD2 3.44Å; A356-F360 PolarHBondContact O-N 3.37Å; Y358-F360 PolarHBondContact O-N 3.12Å; F360-L362 HydrophobicContact CB-CD2 3.66Å; F360-L362 HydrophobicContact CB-CG 3.89Å; F360-L362 PolarHBondContact O-N 3.48Å; F360-L362 VanDerWaalsContact O-N 3.15Å
361	H	91	Very high	77.6	Confident	108 Å²	108	88.3 Å²	88.3	50%	0.5	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	37.7	-179.5	-59.7	-81.5	0	0	0	113.3	V357 Y358 C363 E364	V357-H361 PolarHBondContact O-N 3.4Å; Y358-H361 PolarHBondContact O-N 3.4Å; H361-C363 VanDerWaalsContact C-N 3.25Å; H361-C363 PolarHBondContact O-N 3.01Å; H361-E364 HydrophobicContact CB-CG 4.31Å; H361-E364 IonicContact CE1-OE1 3.32Å; H361-E364 IonicContact CG-OE1 2.73Å; H361-E364 IonicContact CG-OE2 3.44Å; H361-E364 IonicContact ND1-OE1 3.2Å; H361-E364 PolarHBondContact ND1-OE1 2.76Å; H361-E364 IonicContact ND1-OE2 2.65Å; H361-E364 PolarHBondContact ND1-OE2 2.82Å; H361-E364 PolarHBondContact O-N 3.04Å
362	L	90.6	Very high	74.8	Confident	24 Å²	24	87 Å²	87	13%	0.126	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.3	-169.1	-61.1	179.4	0	0	0	113.8	C318 V322 V357 F360	C318-L362 HydrophobicContact CB-CD1 4.27Å; C318-L362 WeakPolarHBondContact O-CD1 3.32Å; V322-L362 HydrophobicContact CG1-CD1 4.47Å; V357-L362 HydrophobicContact CG2-CD1 4.13Å; V357-L362 PolarHBondContact O-N 3.4Å; F360-L362 HydrophobicContact CB-CD2 3.66Å; F360-L362 HydrophobicContact CB-CG 3.89Å; F360-L362 PolarHBondContact O-N 3.48Å; F360-L362 VanDerWaalsContact O-N 3.15Å
363	C	90.3	Very high	72.1	Confident	48 Å²	48	92.5 Å²	92.5	32%	0.324	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	8.1	-171.3	-52.1	0	0	0	0	113	C323 V357 H361	C323-C363 WeakPolarHBondContact CA-SG 3.26Å; C323-C363 HydrophobicContact CB-CB 3.8Å; C323-C363 WeakPolarHBondContact CB-SG 3.36Å; C323-C363 WeakPolarHBondContact SG-CA 3.18Å; C323-C363 WeakPolarHBondContact SG-CB 3.5Å; C323-C363 CovalentContact SG-SG 2.03Å; C323-C363 PolarHBondContact SG-SG 3.24Å; V357-C363 HydrophobicContact CG1-CB 4.07Å; V357-C363 WeakPolarHBondContact CG1-SG 3.41Å; H361-C363 VanDerWaalsContact C-N 3.25Å; H361-C363 PolarHBondContact O-N 3.01Å
364	E	85.3	Confident	69.2	Low	122 Å²	122	103.8 Å²	103.8	57%	0.57	56%	0.561	S	S	*	*	S	Bend	trans	-73.9	137	167.7	-68.3	-178.4	-174.1	0	0	108.8	R320 H361 A366	R320-E364 PolarHBondContact NH2-O 3.49Å; H361-E364 HydrophobicContact CB-CG 4.31Å; H361-E364 IonicContact CE1-OE1 3.32Å; H361-E364 IonicContact CG-OE1 2.73Å; H361-E364 IonicContact CG-OE2 3.44Å; H361-E364 IonicContact ND1-OE1 3.2Å; H361-E364 PolarHBondContact ND1-OE1 2.76Å; H361-E364 IonicContact ND1-OE2 2.65Å; H361-E364 PolarHBondContact ND1-OE2 2.82Å; H361-E364 PolarHBondContact O-N 3.04Å; E364-A366 PolarHBondContact O-N 3.39Å
365	D	70.6	Confident	66.4	Low	135 Å²	135	107 Å²	107	72%	0.722	58%	0.582	S	S	*	*			trans	-67.3	128.5	170.5	-76.2	-40.6	0	0	0	108.3	R320 A367	R320-D365 IonicContact NH2-OD1 3.62Å; R320-D365 PolarHBondContact NH2-OD1 3.04Å; R320-D365 VanDerWaalsContact NH2-OD1 3.15Å; D365-A367 PolarHBondContact O-N 3.24Å
366	A	53.4	Low	63.6	Low	92 Å²	92	108 Å²	108	76%	0.76	59%	0.592	S	S	*	*			trans	-50.6	112.9	168.2	0	0	0	0	0	107	E364 D368	E364-A366 PolarHBondContact O-N 3.39Å; A366-D368 PolarHBondContact O-N 2.95Å
367	A	44.3	Very low	60.6	Low	91 Å²	91	115.2 Å²	115.2	75%	0.752	63%	0.631	S	S	*	*			trans	-49.7	118.7	175.6	0	0	0	0	0	107.7	D365 P369	D365-A367 PolarHBondContact O-N 3.24Å; A367-P369 WeakPolarHBondContact O-CD 3.35Å; A367-P369 VanDerWaalsContact O-N 3.15Å
368	D	37.3	Very low	57.7	Low	107 Å²	107	118.7 Å²	118.7	57%	0.572	66%	0.662	S	S	*	*			trans	-47.8	118.7	172.3	-175.3	-6.7	0	0	0	108.7	A366 T370	A366-D368 PolarHBondContact O-N 2.95Å; D368-T370 VanDerWaalsContact CG-OG1 3.26Å; D368-T370 PolarHBondContact O-N 3.11Å; D368-T370 WeakPolarHBondContact OD1-CB 3.39Å; D368-T370 PolarHBondContact OD1-N 3.49Å; D368-T370 PolarHBondContact OD1-OG1 3.09Å; D368-T370 PolarHBondContact OD2-OG1 2.96Å
369	P	45.3	Very low	54.9	Low	131 Å²	131	115.6 Å²	115.6	85%	0.851	66%	0.663	S	S	*	*	S	Bend	trans	-67.9	-1	178.7	-9.7	23.9	0	0	0	112.3	A367	A367-P369 WeakPolarHBondContact O-CD 3.35Å; A367-P369 VanDerWaalsContact O-N 3.15Å
370	T	44	Very low	52.4	Low	108 Å²	108	118.2 Å²	118.2	66%	0.663	68%	0.675	S	S	*	*			trans	-106.9	51.2	-175.1	68.1	0	0	0	0	113.3	D368	D368-T370 VanDerWaalsContact CG-OG1 3.26Å; D368-T370 PolarHBondContact O-N 3.11Å; D368-T370 WeakPolarHBondContact OD1-CB 3.39Å; D368-T370 PolarHBondContact OD1-N 3.49Å; D368-T370 PolarHBondContact OD1-OG1 3.09Å; D368-T370 PolarHBondContact OD2-OG1 2.96Å
371	R	38.8	Very low	49.5	Very low	241 Å²	241	121 Å²	121	91%	0.909	70%	0.698	S	S	*	*	S	Bend	trans	-132.6	76.9	161.8	-135.3	175.8	-171.8	-177.8	2.2	113.3
372	G	35.2	Very low	46.6	Very low	71 Å²	71	121.7 Å²	121.7	73%	0.732	71%	0.71	S	S	*	*			trans	80.6	91.4	133.4	0	0	0	0	0	116.7	R374	G372-R374 PolarHBondContact O-N 3.05Å
373	D	39.1	Very low	44.2	Very low	145 Å²	145	126.8 Å²	126.8	78%	0.775	74%	0.742	S	S	*	*			trans	-48	119.4	140.8	-176.4	16.1	0	0	0	109.5
374	R	34.5	Very low	41.8	Very low	239 Å²	239	130 Å²	130	90%	0.902	76%	0.763	S	S	*	*			trans	-159.2	93	155.7	-105.4	173.5	-162.3	-169.7	4.1	108.5	G372	G372-R374 PolarHBondContact O-N 3.05Å
375	T	36	Very low	39.5	Very low	115 Å²	115	127.7 Å²	127.7	71%	0.706	77%	0.771	S	S	*	*			trans	-58.3	131.2	152.7	39.9	0	0	0	0	109.9
376	T	35.7	Very low	37.6	Very low	122 Å²	122	129.1 Å²	129.1	75%	0.748	78%	0.779	S	S	*	*				176.1	131.1	126.4	28.2	0	0	0	0	112
377	D	31.2	Very low	37.2	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	79%	0.786	S	S	*	*			trans	77.3	107.9	145	-56.2	-18.3	0	0	0	121.7
378	A	33.4	Very low	37.1	Very low	99 Å²	99	132.4 Å²	132.4	82%	0.818	78%	0.782	S	S	*	*			trans	-75.6	138.4	160	0	0	0	0	0	111.5
379	V	32	Very low	37.4	Very low	132 Å²	132	135.4 Å²	135.4	80%	0.8	79%	0.793	S	S	*	*			trans	-141.6	130.3	146.3	179.1	0	0	0	0	107.8
380	P	40.3	Very low	37.4	Very low	119 Å²	119	135.2 Å²	135.2	77%	0.773	78%	0.784	S	S	*	*			trans	-91.5	137.8	177.8	34.2	-28.8	0	0	0	111.2
381	V	30.4	Very low	37.5	Very low	139 Å²	139	133.8 Å²	133.8	84%	0.842	78%	0.784	S	S	*	*			trans	-123.1	119.5	165.2	177	0	0	0	0	108.2
382	T	31.7	Very low	38.2	Very low	123 Å²	123	126.7 Å²	126.7	76%	0.755	77%	0.767	S	S	*	*			trans	-82.3	144.6	168.6	35.8	0	0	0	0	109.2
383	V	38.5	Very low	39	Very low	130 Å²	130	130.2 Å²	130.2	79%	0.788	76%	0.764	S	S	*	*				154.7	164.4	97.4	-176.3	0	0	0	0	105
384	P	41.3	Very low	39.9	Very low	117 Å²	117	128.8 Å²	128.8	76%	0.76	76%	0.756	S	S	*	*				-124.2	166	-52.3	39.2	-22.7	0	0	0	114.8
385	G	36.2	Very low	40.8	Very low	72 Å²	72	124 Å²	124	74%	0.742	74%	0.743	S	S	*	*			trans	22.3	130.6	147.9	0	0	0	0	0	124.3
386	D	31.2	Very low	41.7	Very low	166 Å²	166	125.9 Å²	125.9	89%	0.888	74%	0.742	S	S	*	*			trans	-142.8	111.7	137.7	-106.8	-23.3	0	0	0	111.4	A388	D386-A388 PolarHBondContact O-N 3.19Å
387	N	44.3	Very low	42.9	Very low	169 Å²	169	124.8 Å²	124.8	90%	0.904	74%	0.735	S	S	*	*			trans	-83.9	97.9	170.7	-84.4	-32.5	0	0	0	108.6
388	A	43.2	Very low	44.5	Very low	82 Å²	82	121.1 Å²	121.1	68%	0.678	72%	0.718	S	S	*	*			trans	-152.4	3.5	171.3	0	0	0	0	0	117.1	D386	D386-A388 PolarHBondContact O-N 3.19Å
389	E	43.7	Very low	46.1	Very low	170 Å²	170	120.4 Å²	120.4	79%	0.794	70%	0.703	S	S	*	*	S	Bend	trans	-102.6	-14	-175.2	-77.3	-171.4	140	0	0	115.8	A391	E389-A391 PolarHBondContact O-N 3.36Å
390	N	44.2	Very low	47.9	Very low	127 Å²	127	115.9 Å²	115.9	68%	0.679	68%	0.683	S	S	*	*	H	α-helix	trans	-81.5	-11.2	-174	-70.2	-15.3	0	0	0	114.9	I394	N390-I394 WeakPolarHBondContact O-CD1 3.49Å
391	A	47.1	Very low	49.7	Very low	79 Å²	79	113.3 Å²	113.3	65%	0.653	67%	0.665	S	S	*	*	H	α-helix	trans	-85.2	-23.5	179.9	0	0	0	0	0	113.7	E389	E389-A391 PolarHBondContact O-N 3.36Å
392	V	52.1	Low	52.1	Low	91 Å²	91	111.5 Å²	111.5	55%	0.552	65%	0.649	S	S	*	*	H	α-helix	trans	-87.7	-27	-173.1	-178.5	0	0	0	0	112.5
393	Q	53.5	Low	54.2	Low	145 Å²	145	108.6 Å²	108.6	68%	0.678	64%	0.637	S	S	*	*	H	α-helix	trans	-75.6	-37.4	176.4	-79.3	-169.7	-12.6	0	0	112.9	H395 K396 V397	Q393-H395 VanDerWaalsContact C-N 3.33Å; Q393-H395 PolarHBondContact O-N 3.4Å; Q393-K396 PolarHBondContact O-N 3.18Å; Q393-V397 PolarHBondContact O-N 2.96Å
394	I	56.4	Low	56.3	Low	116 Å²	116	108.6 Å²	108.6	60%	0.595	63%	0.632	S	S	*	*	H	α-helix	trans	-65.7	-38.5	-178.7	-59.6	174.8	0	0	0	110.6	N390 K396 V397 V398	N390-I394 WeakPolarHBondContact O-CD1 3.49Å; I394-K396 VanDerWaalsContact C-N 3.33Å; I394-K396 PolarHBondContact O-N 2.95Å; I394-V397 PolarHBondContact O-N 3.39Å; I394-V398 VanDerWaalsContact O-CG2 3.31Å; I394-V398 WeakPolarHBondContact O-CG2 3.43Å; I394-V398 PolarHBondContact O-N 2.91Å
395	H	54	Low	58.4	Low	139 Å²	139	107.3 Å²	107.3	64%	0.644	62%	0.618	S	S	*	*	H	α-helix	trans	-67	-32	179.3	-156.1	-60.3	0	0	0	112.6	Q393 T399	Q393-H395 VanDerWaalsContact C-N 3.33Å; Q393-H395 PolarHBondContact O-N 3.4Å; H395-T399 PolarHBondContact O-N 3.17Å; H395-T399 PolarHBondContact O-OG1 3.29Å
396	K	54.6	Low	60.7	Low	153 Å²	153	110.3 Å²	110.3	67%	0.665	61%	0.611	S	S	*	*	H	α-helix	trans	-74.8	-35.2	-180	-72.4	179.8	178.6	176.6	0	113.3	Q393 I394 G400	Q393-K396 PolarHBondContact O-N 3.18Å; I394-K396 VanDerWaalsContact C-N 3.33Å; I394-K396 PolarHBondContact O-N 2.95Å; K396-G400 PolarHBondContact O-N 3.4Å
397	V	61.7	Low	63.3	Low	100 Å²	100	105.6 Å²	105.6	61%	0.606	59%	0.591	S	S	*	*	H	α-helix	trans	-70.7	-36.2	177	177.9	0	0	0	0	111	Q393 I394 G400 T401	Q393-V397 PolarHBondContact O-N 2.96Å; I394-V397 PolarHBondContact O-N 3.39Å; V397-G400 PolarHBondContact O-N 3.33Å; V397-T401 WeakPolarHBondContact O-CG2 3.36Å; V397-T401 PolarHBondContact O-N 3.47Å; V397-T401 VanDerWaalsContact O-N 3.13Å; V397-T401 PolarHBondContact O-OG1 3.28Å
398	V	64.5	Low	65.5	Low	76 Å²	76	104.2 Å²	104.2	46%	0.461	58%	0.577	S	S	.	*	H	α-helix	trans	-68.7	-38.8	176.4	177.1	0	0	0	0	111.6	I394 T401 M402	I394-V398 VanDerWaalsContact O-CG2 3.31Å; I394-V398 WeakPolarHBondContact O-CG2 3.43Å; I394-V398 PolarHBondContact O-N 2.91Å; V398-T401 PolarHBondContact O-OG1 3.15Å; V398-T401 VanDerWaalsContact O-OG1 3.06Å; V398-M402 VanDerWaalsContact O-CG 3.24Å; V398-M402 WeakPolarHBondContact O-CG 2.97Å; V398-M402 PolarHBondContact O-N 3.34Å
399	T	66.9	Low	67.7	Low	84 Å²	84	105 Å²	105	52%	0.515	57%	0.569	S	S	.	*	H	α-helix	trans	-68.9	-37.1	176.1	-10.4	0	0	0	0	112.8	H395 A403	H395-T399 PolarHBondContact O-N 3.17Å; H395-T399 PolarHBondContact O-OG1 3.29Å; T399-A403 PolarHBondContact O-N 3.15Å; T399-A403 VanDerWaalsContact O-N 3.12Å
400	G	71	Confident	69.8	Low	36 Å²	36	101.7 Å²	101.7	37%	0.371	56%	0.556	S	S	.	*	H	α-helix	trans	-67.3	-41.8	178.9	0	0	0	0	0	113.1	K396 V397 A403 L404	K396-G400 PolarHBondContact O-N 3.4Å; V397-G400 PolarHBondContact O-N 3.33Å; G400-A403 PolarHBondContact O-N 3.45Å; G400-L404 PolarHBondContact O-N 3.41Å
401	T	77.8	Confident	71.8	Confident	66 Å²	66	99.3 Å²	99.3	41%	0.405	55%	0.546	S	S	.	.	H	α-helix	trans	-67.6	-39	177.5	47.4	0	0	0	0	112.1	V397 V398 A403 L404 I405	V397-T401 WeakPolarHBondContact O-CG2 3.36Å; V397-T401 PolarHBondContact O-N 3.47Å; V397-T401 VanDerWaalsContact O-N 3.13Å; V397-T401 PolarHBondContact O-OG1 3.28Å; V398-T401 PolarHBondContact O-OG1 3.15Å; V398-T401 VanDerWaalsContact O-OG1 3.06Å; T401-A403 PolarHBondContact O-N 2.86Å; T401-L404 PolarHBondContact O-N 2.97Å; T401-I405 WeakPolarHBondContact O-CD1 3.44Å; T401-I405 VanDerWaalsContact O-CG1 3.31Å; T401-I405 WeakPolarHBondContact O-CG1 3.03Å; T401-I405 PolarHBondContact O-N 3.41Å
402	M	79.6	Confident	73.7	Confident	101 Å²	101	98.8 Å²	98.8	50%	0.498	53%	0.534	S	S	.	.	H	α-helix	trans	-65.1	-38.7	175	-68.5	-64.7	163.3	0	0	112.4	V398 L404 I405 F406	V398-M402 VanDerWaalsContact O-CG 3.24Å; V398-M402 WeakPolarHBondContact O-CG 2.97Å; V398-M402 PolarHBondContact O-N 3.34Å; M402-L404 PolarHBondContact O-N 3.02Å; M402-I405 PolarHBondContact O-N 3.35Å; M402-I405 HydrophobicContact SD-CD1 4.49Å; M402-F406 WeakPolarHBondContact O-CD2 3.4Å; M402-F406 PolarHBondContact O-N 3.47Å
403	A	76.5	Confident	75.4	Confident	61 Å²	61	99.7 Å²	99.7	50%	0.504	54%	0.535	S	S	.	.	H	α-helix	trans	-64.3	-38.7	177.7	0	0	0	0	0	113	T399 G400 T401 F406 S407	T399-A403 PolarHBondContact O-N 3.15Å; T399-A403 VanDerWaalsContact O-N 3.12Å; G400-A403 PolarHBondContact O-N 3.45Å; T401-A403 PolarHBondContact O-N 2.86Å; A403-F406 PolarHBondContact O-N 3.5Å; A403-S407 WeakPolarHBondContact O-CB 3.07Å; A403-S407 PolarHBondContact O-N 3.4Å
404	L	81.8	Confident	76.6	Confident	130 Å²	130	96.6 Å²	96.6	68%	0.681	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-40.5	175.8	-73.9	172	0	0	0	112	G400 T401 M402 S407 F408	G400-L404 PolarHBondContact O-N 3.41Å; T401-L404 PolarHBondContact O-N 2.97Å; M402-L404 PolarHBondContact O-N 3.02Å; L404-S407 PolarHBondContact O-N 3.28Å; L404-F408 WeakPolarHBondContact O-CB 3.22Å; L404-F408 PolarHBondContact O-N 3.39Å
405	I	86.4	Confident	77.7	Confident	90 Å²	90	96.4 Å²	96.4	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-43.9	177	-65.8	165.4	0	0	0	110.5	T401 M402 F408 L409	T401-I405 WeakPolarHBondContact O-CD1 3.44Å; T401-I405 VanDerWaalsContact O-CG1 3.31Å; T401-I405 WeakPolarHBondContact O-CG1 3.03Å; T401-I405 PolarHBondContact O-N 3.41Å; M402-I405 PolarHBondContact O-N 3.35Å; M402-I405 HydrophobicContact SD-CD1 4.49Å; I405-F408 PolarHBondContact O-N 2.73Å; I405-L409 HydrophobicContact CG2-CD1 4.01Å; I405-L409 HydrophobicContact CG2-CG 4.48Å; I405-L409 VanDerWaalsContact O-CG 3.31Å; I405-L409 WeakPolarHBondContact O-CG 3.33Å; I405-L409 PolarHBondContact O-N 3.44Å
406	F	84.8	Confident	79.1	Confident	135 Å²	135	96.6 Å²	96.6	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-41.6	176.2	-90.9	-76.3	0	0	0	112.5	M402 A403 F408 L409 I410	M402-F406 WeakPolarHBondContact O-CD2 3.4Å; M402-F406 PolarHBondContact O-N 3.47Å; A403-F406 PolarHBondContact O-N 3.5Å; F406-F408 PolarHBondContact O-N 3.44Å; F406-L409 PolarHBondContact O-N 3.27Å; F406-I410 WeakPolarHBondContact O-CD1 3.37Å; F406-I410 VanDerWaalsContact O-CG1 3.26Å; F406-I410 WeakPolarHBondContact O-CG1 3.4Å; F406-I410 PolarHBondContact O-N 3.35Å
407	S	85.1	Confident	80.2	Confident	67 Å²	67	92.6 Å²	92.6	47%	0.469	51%	0.51	S	S	.	.	H	α-helix	trans	-61	-45.2	175.6	-175.3	0	0	0	0	111.8	A403 L404 L409 I410 V411	A403-S407 WeakPolarHBondContact O-CB 3.07Å; A403-S407 PolarHBondContact O-N 3.4Å; L404-S407 PolarHBondContact O-N 3.28Å; S407-L409 PolarHBondContact O-N 2.85Å; S407-I410 PolarHBondContact O-N 3.46Å; S407-V411 WeakPolarHBondContact O-CG2 2.95Å; S407-V411 PolarHBondContact O-N 3.3Å; S407-V411 VanDerWaalsContact O-N 3.07Å
408	F	90.8	Very high	80.6	Confident	141 Å²	141	90.3 Å²	90.3	62%	0.618	50%	0.499	S	S	*	.	H	α-helix	trans	-61.1	-45.3	176.2	-179.2	-99.9	0	0	0	112.1	L404 I405 F406 I410 V411 V412	L404-F408 WeakPolarHBondContact O-CB 3.22Å; L404-F408 PolarHBondContact O-N 3.39Å; I405-F408 PolarHBondContact O-N 2.73Å; F406-F408 PolarHBondContact O-N 3.44Å; F408-I410 VanDerWaalsContact C-N 3.32Å; F408-I410 PolarHBondContact O-N 3.31Å; F408-V411 PolarHBondContact O-N 3.26Å; F408-V412 HydrophobicContact CD1-CG2 4.17Å; F408-V412 HydrophobicContact CE1-CG2 3.78Å; F408-V412 HydrophobicContact CE2-CG2 4.33Å; F408-V412 HydrophobicContact CZ-CG2 3.87Å; F408-V412 WeakPolarHBondContact O-CG2 3.37Å; F408-V412 PolarHBondContact O-N 3.47Å
409	L	89.5	Confident	80.8	Confident	97 Å²	97	95.6 Å²	95.6	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-36.8	178.2	-72.5	171.6	0	0	0	112.5	I405 F406 S407 V412 L413	I405-L409 HydrophobicContact CG2-CD1 4.01Å; I405-L409 HydrophobicContact CG2-CG 4.48Å; I405-L409 VanDerWaalsContact O-CG 3.31Å; I405-L409 WeakPolarHBondContact O-CG 3.33Å; I405-L409 PolarHBondContact O-N 3.44Å; F406-L409 PolarHBondContact O-N 3.27Å; S407-L409 PolarHBondContact O-N 2.85Å; L409-V412 PolarHBondContact O-N 3.19Å; L409-L413 WeakPolarHBondContact O-CB 3.3Å; L409-L413 PolarHBondContact O-N 3.15Å
410	I	87.1	Confident	81	Confident	102 Å²	102	98.8 Å²	98.8	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-65.8	-43	175.3	-68.5	163.7	0	0	0	110.8	F406 S407 F408 V412 L413 V414	F406-I410 WeakPolarHBondContact O-CD1 3.37Å; F406-I410 VanDerWaalsContact O-CG1 3.26Å; F406-I410 WeakPolarHBondContact O-CG1 3.4Å; F406-I410 PolarHBondContact O-N 3.35Å; S407-I410 PolarHBondContact O-N 3.46Å; F408-I410 VanDerWaalsContact C-N 3.32Å; F408-I410 PolarHBondContact O-N 3.31Å; I410-V412 PolarHBondContact O-N 3.37Å; I410-L413 PolarHBondContact O-N 3.01Å; I410-V414 HydrophobicContact CG2-CG2 4.4Å; I410-V414 VanDerWaalsContact O-CG2 3.3Å; I410-V414 WeakPolarHBondContact O-CG2 3.49Å; I410-V414 PolarHBondContact O-N 2.79Å
411	V	86.1	Confident	80.6	Confident	77 Å²	77	100.8 Å²	100.8	47%	0.467	53%	0.525	S	S	.	.	H	α-helix	trans	-62.8	-44.3	177	173.9	0	0	0	0	110.9	S407 F408 L413 V414 L415	S407-V411 WeakPolarHBondContact O-CG2 2.95Å; S407-V411 PolarHBondContact O-N 3.3Å; S407-V411 VanDerWaalsContact O-N 3.07Å; F408-V411 PolarHBondContact O-N 3.26Å; V411-L413 VanDerWaalsContact C-N 3.33Å; V411-L413 PolarHBondContact O-N 3.13Å; V411-V414 PolarHBondContact O-N 2.88Å; V411-L415 HydrophobicContact CG1-CD1 4.04Å; V411-L415 HydrophobicContact CG1-CG 4.46Å; V411-L415 WeakPolarHBondContact O-CB 3.48Å; V411-L415 VanDerWaalsContact O-CG 3.29Å; V411-L415 WeakPolarHBondContact O-CG 3.42Å; V411-L415 PolarHBondContact O-N 2.86Å
412	V	88.2	Confident	79.7	Confident	67 Å²	67	104.2 Å²	104.2	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-62	-41.4	176.1	175.4	0	0	0	0	111.1	F408 L409 I410 L415 Y416	F408-V412 HydrophobicContact CD1-CG2 4.17Å; F408-V412 HydrophobicContact CE1-CG2 3.78Å; F408-V412 HydrophobicContact CE2-CG2 4.33Å; F408-V412 HydrophobicContact CZ-CG2 3.87Å; F408-V412 WeakPolarHBondContact O-CG2 3.37Å; F408-V412 PolarHBondContact O-N 3.47Å; L409-V412 PolarHBondContact O-N 3.19Å; I410-V412 PolarHBondContact O-N 3.37Å; V412-L415 PolarHBondContact O-N 3.31Å; V412-Y416 VanDerWaalsContact O-CB 3.3Å; V412-Y416 WeakPolarHBondContact O-CB 3.49Å; V412-Y416 PolarHBondContact O-N 3.24Å
413	L	87.5	Confident	78.7	Confident	110 Å²	110	102.7 Å²	102.7	58%	0.576	53%	0.532	S	S	*	.	H	α-helix	trans	-63.1	-45.1	176.3	-169	83.7	0	0	0	111.6	L409 I410 V411 L415 Y416 V417	L409-L413 WeakPolarHBondContact O-CB 3.3Å; L409-L413 PolarHBondContact O-N 3.15Å; I410-L413 PolarHBondContact O-N 3.01Å; V411-L413 VanDerWaalsContact C-N 3.33Å; V411-L413 PolarHBondContact O-N 3.13Å; L413-L415 VanDerWaalsContact C-N 3.34Å; L413-L415 PolarHBondContact O-N 2.87Å; L413-Y416 PolarHBondContact O-N 3.24Å; L413-V417 HydrophobicContact CG-CG2 4.49Å; L413-V417 WeakPolarHBondContact O-CB 3.18Å; L413-V417 VanDerWaalsContact O-CG2 3.27Å; L413-V417 WeakPolarHBondContact O-CG2 3.38Å; L413-V417 PolarHBondContact O-N 3.02Å
414	V	79.3	Confident	77.7	Confident	81 Å²	81	103.3 Å²	103.3	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-41.9	177.6	170.4	0	0	0	0	110.7	I410 V411 S418	I410-V414 HydrophobicContact CG2-CG2 4.4Å; I410-V414 VanDerWaalsContact O-CG2 3.3Å; I410-V414 WeakPolarHBondContact O-CG2 3.49Å; I410-V414 PolarHBondContact O-N 2.79Å; V411-V414 PolarHBondContact O-N 2.88Å; V414-S418 WeakPolarHBondContact O-CB 3.06Å; V414-S418 PolarHBondContact O-N 3.22Å; V414-S418 PolarHBondContact O-OG 3.07Å
415	L	78.1	Confident	76.4	Confident	112 Å²	112	100 Å²	100	59%	0.586	53%	0.525	S	S	*	.	H	α-helix	trans	-65.3	-41.9	175.7	-71.2	172.8	0	0	0	111.8	V411 V412 L413 S418 W419	V411-L415 HydrophobicContact CG1-CD1 4.04Å; V411-L415 HydrophobicContact CG1-CG 4.46Å; V411-L415 WeakPolarHBondContact O-CB 3.48Å; V411-L415 VanDerWaalsContact O-CG 3.29Å; V411-L415 WeakPolarHBondContact O-CG 3.42Å; V411-L415 PolarHBondContact O-N 2.86Å; V412-L415 PolarHBondContact O-N 3.31Å; L413-L415 VanDerWaalsContact C-N 3.34Å; L413-L415 PolarHBondContact O-N 2.87Å; L415-S418 PolarHBondContact O-N 2.87Å; L415-W419 WeakPolarHBondContact O-CB 3.42Å; L415-W419 PolarHBondContact O-N 3.3Å
416	Y	84.3	Confident	75.1	Confident	142 Å²	142	99.4 Å²	99.4	56%	0.557	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-45.7	176.9	178	-103.1	0	0	0	111.9	V412 L413 W419 K420	V412-Y416 VanDerWaalsContact O-CB 3.3Å; V412-Y416 WeakPolarHBondContact O-CB 3.49Å; V412-Y416 PolarHBondContact O-N 3.24Å; L413-Y416 PolarHBondContact O-N 3.24Å; Y416-W419 PolarHBondContact O-N 2.75Å; Y416-K420 HydrophobicContact CE1-CD 4.42Å; Y416-K420 WeakPolarHBondContact O-CB 3.45Å; Y416-K420 PolarHBondContact O-N 2.95Å
417	V	77.4	Confident	73.8	Confident	70 Å²	70	101.5 Å²	101.5	42%	0.424	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-41.7	175.9	173.1	0	0	0	0	110.9	L413 W419 K420 C421	L413-V417 HydrophobicContact CG-CG2 4.49Å; L413-V417 WeakPolarHBondContact O-CB 3.18Å; L413-V417 VanDerWaalsContact O-CG2 3.27Å; L413-V417 WeakPolarHBondContact O-CG2 3.38Å; L413-V417 PolarHBondContact O-N 3.02Å; V417-W419 VanDerWaalsContact C-N 3.34Å; V417-W419 PolarHBondContact O-N 3.09Å; V417-K420 PolarHBondContact O-N 3.09Å; V417-C421 VanDerWaalsContact O-CB 3.25Å; V417-C421 WeakPolarHBondContact O-CB 3.45Å; V417-C421 PolarHBondContact O-N 2.91Å
418	S	70.3	Confident	72.4	Confident	52 Å²	52	105 Å²	105	36%	0.364	54%	0.535	S	S	.	.	H	α-helix	trans	-64.5	-38.4	177.5	-60.7	0	0	0	0	112.1	V414 L415 F422	V414-S418 WeakPolarHBondContact O-CB 3.06Å; V414-S418 PolarHBondContact O-N 3.22Å; V414-S418 PolarHBondContact O-OG 3.07Å; L415-S418 PolarHBondContact O-N 2.87Å; S418-F422 PolarHBondContact O-N 3.19Å; S418-F422 VanDerWaalsContact O-N 3.14Å
419	W	69.1	Low	70.8	Confident	186 Å²	186	103.3 Å²	103.3	71%	0.705	53%	0.532	S	S	*	.	H	α-helix	trans	-64.9	-46.6	173	-169.2	-25.7	0	0	0	110.8	L415 Y416 V417 L426	L415-W419 WeakPolarHBondContact O-CB 3.42Å; L415-W419 PolarHBondContact O-N 3.3Å; Y416-W419 PolarHBondContact O-N 2.75Å; V417-W419 VanDerWaalsContact C-N 3.34Å; V417-W419 PolarHBondContact O-N 3.09Å; W419-L426 HydrophobicContact CB-CD1 4.38Å
420	K	71.1	Confident	69.2	Low	152 Å²	152	107.5 Å²	107.5	66%	0.661	54%	0.541	S	S	*	.	H	α-helix	trans	-73.7	-34.5	-174.9	-155.1	-177.3	-177.9	-177.9	0	113.3	Y416 V417	Y416-K420 HydrophobicContact CE1-CD 4.42Å; Y416-K420 WeakPolarHBondContact O-CB 3.45Å; Y416-K420 PolarHBondContact O-N 2.95Å; V417-K420 PolarHBondContact O-N 3.09Å
421	C	62.9	Low	67.8	Low	78 Å²	78	109 Å²	109	53%	0.527	55%	0.546	S	S	.	.	H	α-helix	trans	-89.2	-24.4	-176.9	-69	0	0	0	0	113.9	V417	V417-C421 VanDerWaalsContact O-CB 3.25Å; V417-C421 WeakPolarHBondContact O-CB 3.45Å; V417-C421 PolarHBondContact O-N 2.91Å
422	F	58.9	Low	66.2	Low	137 Å²	137	109 Å²	109	60%	0.601	55%	0.549	S	S	*	.			trans	-136.9	71.2	-176.2	-62.8	-80.5	0	0	0	113.5	S418 A424 S425	S418-F422 PolarHBondContact O-N 3.19Å; S418-F422 VanDerWaalsContact O-N 3.14Å; F422-A424 PolarHBondContact O-N 3.35Å; F422-S425 PolarHBondContact O-OG 3.18Å; F422-S425 VanDerWaalsContact O-OG 3.13Å
423	P	57.8	Low	64.9	Low	70 Å²	70	112.1 Å²	112.1	46%	0.455	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.1	-12.3	-179.9	27.3	-34.4	0	0	0	114.4	R427	P423-R427 WeakPolarHBondContact O-CG 3.17Å; P423-R427 PolarHBondContact O-NE 2.97Å
424	A	55.2	Low	63.7	Low	74 Å²	74	110.9 Å²	110.9	61%	0.612	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-37.4	-177.7	0	0	0	0	0	113.6	F422 R427 Q428	F422-A424 PolarHBondContact O-N 3.35Å; A424-R427 PolarHBondContact O-N 3.31Å; A424-Q428 PolarHBondContact O-N 3.42Å
425	S	55.1	Low	62.6	Low	60 Å²	60	110.8 Å²	110.8	42%	0.42	55%	0.553	S	S	.	*	H	α-helix	trans	-70.7	-36.3	-178.9	48.4	0	0	0	0	112.6	F422 R427 Q428 L429	F422-S425 PolarHBondContact O-OG 3.18Å; F422-S425 VanDerWaalsContact O-OG 3.13Å; S425-R427 VanDerWaalsContact C-N 3.31Å; S425-R427 PolarHBondContact O-N 2.76Å; S425-Q428 WeakPolarHBondContact O-CB 3.18Å; S425-Q428 PolarHBondContact O-N 3.5Å; S425-L429 PolarHBondContact O-N 3.39Å
426	L	58.1	Low	61.8	Low	78 Å²	78	111.3 Å²	111.3	41%	0.408	55%	0.553	S	S	.	*	H	α-helix	trans	-66.1	-29	175	-94.2	145.4	0	0	0	113.4	W419 R430	W419-L426 HydrophobicContact CB-CD1 4.38Å; L426-R430 PolarHBondContact O-N 3.32Å
427	R	57.9	Low	60.8	Low	178 Å²	178	114 Å²	114	67%	0.672	56%	0.562	S	S	*	*	H	α-helix	trans	-69.5	-36.9	173.9	-67.9	179	-156.3	-169.3	2.7	111.6	P423 A424 S425 R430 Q431	P423-R427 WeakPolarHBondContact O-CG 3.17Å; P423-R427 PolarHBondContact O-NE 2.97Å; A424-R427 PolarHBondContact O-N 3.31Å; S425-R427 VanDerWaalsContact C-N 3.31Å; S425-R427 PolarHBondContact O-N 2.76Å; R427-R430 PolarHBondContact O-N 2.97Å; R427-Q431 PolarHBondContact O-N 2.89Å
428	Q	55.8	Low	59.9	Low	141 Å²	141	119.7 Å²	119.7	66%	0.659	58%	0.576	S	S	*	*	H	α-helix	trans	-67.2	-39.6	177.8	-132.8	171.6	-1.1	0	0	111.5	A424 S425 Q431 C432	A424-Q428 PolarHBondContact O-N 3.42Å; S425-Q428 WeakPolarHBondContact O-CB 3.18Å; S425-Q428 PolarHBondContact O-N 3.5Å; Q428-Q431 PolarHBondContact O-N 3.39Å; Q428-C432 PolarHBondContact O-N 3.04Å
429	L	56.5	Low	59.2	Low	105 Å²	105	124.5 Å²	124.5	55%	0.55	59%	0.59	S	S	.	*	H	α-helix	trans	-63	-45.8	174.2	-126.9	97.5	0	0	0	111.7	S425 Q431 C432 F433	S425-L429 PolarHBondContact O-N 3.39Å; L429-Q431 VanDerWaalsContact C-N 3.34Å; L429-Q431 PolarHBondContact O-N 3.15Å; L429-C432 WeakPolarHBondContact O-CB 3.25Å; L429-C432 PolarHBondContact O-N 3.24Å; L429-F433 HydrophobicContact CD2-CE2 3.86Å; L429-F433 HydrophobicContact CG-CE2 4.33Å; L429-F433 WeakPolarHBondContact O-CD2 3.38Å; L429-F433 PolarHBondContact O-N 3.19Å
430	R	57.6	Low	58.9	Low	186 Å²	186	122 Å²	122	70%	0.702	59%	0.586	S	S	*	*	H	α-helix	trans	-61.2	-39.5	175.9	-80.9	-174.1	177	-173.3	0.3	112.5	L426 R427 C432 F433 V434	L426-R430 PolarHBondContact O-N 3.32Å; R427-R430 PolarHBondContact O-N 2.97Å; R430-C432 VanDerWaalsContact C-N 3.33Å; R430-C432 PolarHBondContact O-N 2.03Å; R430-F433 PolarHBondContact O-N 3.4Å; R430-V434 VanDerWaalsContact O-CG2 3.3Å; R430-V434 WeakPolarHBondContact O-CG2 3.27Å; R430-V434 PolarHBondContact O-N 3.37Å; R430-V434 VanDerWaalsContact O-N 3.09Å
431	Q	56.2	Low	58.5	Low	134 Å²	134	122.3 Å²	122.3	63%	0.626	59%	0.587	S	S	*	*	H	α-helix	trans	-66.4	-33.9	176	-78.2	-179.4	-18.6	0	0	112.9	R427 Q428 L429 T435	R427-Q431 PolarHBondContact O-N 2.89Å; Q428-Q431 PolarHBondContact O-N 3.39Å; L429-Q431 VanDerWaalsContact C-N 3.34Å; L429-Q431 PolarHBondContact O-N 3.15Å; Q431-T435 PolarHBondContact O-N 3.14Å; Q431-T435 PolarHBondContact O-OG1 3.21Å
432	C	54.2	Low	58.3	Low	77 Å²	77	125.1 Å²	125.1	52%	0.52	59%	0.593	S	S	.	*	H	α-helix	trans	-67.6	-43.9	175.7	-149	0	0	0	0	111.4	Q428 L429 R430 V434 T435 Q436	Q428-C432 PolarHBondContact O-N 3.04Å; L429-C432 WeakPolarHBondContact O-CB 3.25Å; L429-C432 PolarHBondContact O-N 3.24Å; R430-C432 VanDerWaalsContact C-N 3.33Å; R430-C432 PolarHBondContact O-N 2.03Å; C432-V434 PolarHBondContact O-N 3.5Å; C432-T435 WeakPolarHBondContact CA-OG1 3.44Å; C432-T435 PolarHBondContact O-N 3.43Å; C432-T435 PolarHBondContact O-OG1 3.33Å; C432-Q436 WeakPolarHBondContact O-CB 3.43Å; C432-Q436 PolarHBondContact O-N 3.47Å
433	F	59.4	Low	58.3	Low	132 Å²	132	126 Å²	126	58%	0.579	60%	0.596	S	S	*	*	H	α-helix	trans	-64.6	-36.9	175.8	-80.4	-69	0	0	0	113.2	L429 R430 R437	L429-F433 HydrophobicContact CD2-CE2 3.86Å; L429-F433 HydrophobicContact CG-CE2 4.33Å; L429-F433 WeakPolarHBondContact O-CD2 3.38Å; L429-F433 PolarHBondContact O-N 3.19Å; R430-F433 PolarHBondContact O-N 3.4Å; F433-R437 PolarHBondContact O-N 2.94Å; F433-R437 VanDerWaalsContact O-N 3.11Å
434	V	63.2	Low	58.6	Low	83 Å²	83	129 Å²	129	50%	0.503	60%	0.604	S	S	.	*	H	α-helix	trans	-70.2	-39	177.7	172.4	0	0	0	0	111.9	R430 C432 R438	R430-V434 VanDerWaalsContact O-CG2 3.3Å; R430-V434 WeakPolarHBondContact O-CG2 3.27Å; R430-V434 PolarHBondContact O-N 3.37Å; R430-V434 VanDerWaalsContact O-N 3.09Å; C432-V434 PolarHBondContact O-N 3.5Å; V434-R438 PolarHBondContact O-N 3.46Å; V434-R438 VanDerWaalsContact O-N 3.12Å
435	T	56.3	Low	58.6	Low	79 Å²	79	129 Å²	129	49%	0.485	60%	0.597	S	S	.	*	H	α-helix	trans	-69	-35.1	176.1	36	0	0	0	0	112.2	Q431 C432 R438 K439	Q431-T435 PolarHBondContact O-N 3.14Å; Q431-T435 PolarHBondContact O-OG1 3.21Å; C432-T435 WeakPolarHBondContact CA-OG1 3.44Å; C432-T435 PolarHBondContact O-N 3.43Å; C432-T435 PolarHBondContact O-OG1 3.33Å; T435-R438 PolarHBondContact O-N 3.07Å; T435-K439 PolarHBondContact O-N 3.05Å; T435-K439 VanDerWaalsContact O-N 3.1Å
436	Q	60.6	Low	58.6	Low	124 Å²	124	133.2 Å²	133.2	58%	0.579	61%	0.612	S	S	*	*	H	α-helix	trans	-67.5	-41.5	175.9	-154.8	172.8	0	0	0	112	C432 R438 K439 Q440	C432-Q436 WeakPolarHBondContact O-CB 3.43Å; C432-Q436 PolarHBondContact O-N 3.47Å; Q436-R438 PolarHBondContact O-N 3.3Å; Q436-K439 PolarHBondContact O-N 3.24Å; Q436-Q440 PolarHBondContact O-N 2.88Å; Q436-Q440 VanDerWaalsContact O-N 3.12Å
437	R	63.7	Low	58.5	Low	199 Å²	199	136.5 Å²	136.5	75%	0.751	63%	0.625	S	S	*	*	H	α-helix	trans	-63	-38	172.8	-89.6	-174.5	174.1	-177.2	-1.1	113.2	F433 Q440 K441	F433-R437 PolarHBondContact O-N 2.94Å; F433-R437 VanDerWaalsContact O-N 3.11Å; R437-Q440 PolarHBondContact O-N 2.98Å; R437-K441 PolarHBondContact O-N 3.2Å; R437-K441 VanDerWaalsContact O-N 3.11Å
438	R	58.2	Low	58	Low	188 Å²	188	134.6 Å²	134.6	71%	0.709	62%	0.623	S	S	*	*	H	α-helix	trans	-64.8	-42.3	175.5	-78.5	-175.5	176.1	-176.6	-1	112.2	V434 T435 Q436 Q440 K441 Q442	V434-R438 PolarHBondContact O-N 3.46Å; V434-R438 VanDerWaalsContact O-N 3.12Å; T435-R438 PolarHBondContact O-N 3.07Å; Q436-R438 PolarHBondContact O-N 3.3Å; R438-Q440 VanDerWaalsContact C-N 3.3Å; R438-Q440 PolarHBondContact O-N 3.29Å; R438-K441 PolarHBondContact O-N 3.15Å; R438-Q442 PolarHBondContact O-N 2.67Å; R438-Q442 VanDerWaalsContact O-N 3.12Å
439	K	55.6	Low	57.7	Low	154 Å²	154	134.8 Å²	134.8	67%	0.67	63%	0.626	S	S	*	*	H	α-helix	trans	-63.3	-34.5	176.1	-75.3	-175.4	177.4	-177	0	112.7	T435 Q436 K443	T435-K439 PolarHBondContact O-N 3.05Å; T435-K439 VanDerWaalsContact O-N 3.1Å; Q436-K439 PolarHBondContact O-N 3.24Å; K439-K443 PolarHBondContact O-N 3.31Å
440	Q	63.5	Low	57.6	Low	132 Å²	132	132.8 Å²	132.8	62%	0.617	63%	0.625	S	S	*	*	H	α-helix	trans	-72.8	-41	179.2	-147.5	172.8	9	0	0	112.1	Q436 R437 R438 Q442 K443 Q444	Q436-Q440 PolarHBondContact O-N 2.88Å; Q436-Q440 VanDerWaalsContact O-N 3.12Å; R437-Q440 PolarHBondContact O-N 2.98Å; R438-Q440 VanDerWaalsContact C-N 3.3Å; R438-Q440 PolarHBondContact O-N 3.29Å; Q440-Q442 PolarHBondContact O-N 3.4Å; Q440-K443 PolarHBondContact O-N 2.95Å; Q440-Q444 PolarHBondContact O-N 3.05Å
441	K	62.7	Low	57.2	Low	159 Å²	159	127.6 Å²	127.6	69%	0.691	62%	0.622	S	S	*	*	H	α-helix	trans	-63	-40	174.3	-118.3	-176.6	179.7	-173.6	0	112.3	R437 R438 K443 Q444 T445	R437-K441 PolarHBondContact O-N 3.2Å; R437-K441 VanDerWaalsContact O-N 3.11Å; R438-K441 PolarHBondContact O-N 3.15Å; K441-K443 PolarHBondContact O-N 3.27Å; K441-Q444 PolarHBondContact O-N 3.42Å; K441-T445 PolarHBondContact O-N 3.47Å; K441-T445 PolarHBondContact O-OG1 2.9Å
442	Q	57.5	Low	56.7	Low	137 Å²	137	129.3 Å²	129.3	64%	0.64	63%	0.632	S	S	*	*	H	α-helix	trans	-66	-37.3	179.7	-159.5	172.6	8.7	0	0	112.5	R438 Q440 T445 M446	R438-Q442 PolarHBondContact O-N 2.67Å; R438-Q442 VanDerWaalsContact O-N 3.12Å; Q440-Q442 PolarHBondContact O-N 3.4Å; Q442-T445 WeakPolarHBondContact CA-OG1 3.46Å; Q442-T445 PolarHBondContact O-N 2.89Å; Q442-T445 PolarHBondContact O-OG1 2.82Å; Q442-M446 PolarHBondContact O-N 2.95Å
443	K	59.1	Low	56.2	Low	155 Å²	155	130.5 Å²	130.5	67%	0.674	64%	0.641	S	S	*	*	H	α-helix	trans	-64.9	-36.5	173.5	-85.6	-172.4	172.6	-172	0	113.3	K439 Q440 K441 H447	K439-K443 PolarHBondContact O-N 3.31Å; Q440-K443 PolarHBondContact O-N 2.95Å; K441-K443 PolarHBondContact O-N 3.27Å; K443-H447 PolarHBondContact O-N 3.39Å
444	Q	63.8	Low	55.3	Low	133 Å²	133	128.2 Å²	128.2	62%	0.621	65%	0.646	S	S	*	*	H	α-helix	trans	-67.5	-41.9	177	-82.2	176.6	-33.4	0	0	112.2	Q440 K441 M446 H447 Q448	Q440-Q444 PolarHBondContact O-N 3.05Å; K441-Q444 PolarHBondContact O-N 3.42Å; Q444-M446 PolarHBondContact O-N 3.35Å; Q444-H447 PolarHBondContact O-N 3.39Å; Q444-Q448 PolarHBondContact O-N 3.02Å; Q444-Q448 VanDerWaalsContact O-N 3.12Å
445	T	56.4	Low	53.9	Low	76 Å²	76	133.1 Å²	133.1	47%	0.466	66%	0.664	S	S	.	*	H	α-helix	trans	-63.9	-36.3	175.5	21	0	0	0	0	113.5	K441 Q442 Q448 M449	K441-T445 PolarHBondContact O-N 3.47Å; K441-T445 PolarHBondContact O-OG1 2.9Å; Q442-T445 WeakPolarHBondContact CA-OG1 3.46Å; Q442-T445 PolarHBondContact O-N 2.89Å; Q442-T445 PolarHBondContact O-OG1 2.82Å; T445-Q448 PolarHBondContact O-N 3Å; T445-M449 PolarHBondContact O-N 3.15Å
446	M	54.5	Low	52.8	Low	147 Å²	147	138.8 Å²	138.8	72%	0.724	69%	0.685	S	S	*	*	H	α-helix	trans	-67	-38.4	175.1	-91.4	-173.6	76.5	0	0	112.5	Q442 Q444 Q448 M449 A450	Q442-M446 PolarHBondContact O-N 2.95Å; Q444-M446 PolarHBondContact O-N 3.35Å; M446-Q448 VanDerWaalsContact C-N 3.32Å; M446-Q448 PolarHBondContact O-N 3.28Å; M446-M449 PolarHBondContact O-N 3.29Å; M446-A450 PolarHBondContact O-N 3.09Å
447	H	55.2	Low	51.5	Low	147 Å²	147	143.8 Å²	143.8	68%	0.681	70%	0.7	S	S	*	*	H	α-helix	trans	-67.6	-33	176.3	-86.8	-48.2	0	0	0	112.8	K443 Q444 A450 A451	K443-H447 PolarHBondContact O-N 3.39Å; Q444-H447 PolarHBondContact O-N 3.39Å; H447-A450 PolarHBondContact O-N 2.9Å; H447-A451 PolarHBondContact O-N 3Å
448	Q	49	Very low	49.8	Very low	138 Å²	138	143.6 Å²	143.6	65%	0.645	70%	0.701	S	S	*	*	H	α-helix	trans	-71.6	-32.9	179.2	-149.8	167	7.3	0	0	112.5	Q444 T445 M446	Q444-Q448 PolarHBondContact O-N 3.02Å; Q444-Q448 VanDerWaalsContact O-N 3.12Å; T445-Q448 PolarHBondContact O-N 3Å; M446-Q448 VanDerWaalsContact C-N 3.32Å; M446-Q448 PolarHBondContact O-N 3.28Å
449	M	49.5	Very low	48.5	Very low	146 Å²	146	141.2 Å²	141.2	72%	0.719	71%	0.707	S	S	*	*	H	α-helix	trans	-73.3	-33.6	174.1	-70.4	-178.9	173.1	0	0	113	T445 M446 A451	T445-M449 PolarHBondContact O-N 3.15Å; M446-M449 PolarHBondContact O-N 3.29Å; M449-A451 VanDerWaalsContact C-N 3.33Å
450	A	53	Low	47.2	Very low	62 Å²	62	139.4 Å²	139.4	51%	0.512	71%	0.705	S	S	.	*	H	α-helix	trans	-72.2	-25.5	177.6	0	0	0	0	0	113.3	M446 H447 S453	M446-A450 PolarHBondContact O-N 3.09Å; H447-A450 PolarHBondContact O-N 2.9Å; A450-S453 PolarHBondContact O-OG 2.64Å
451	A	49.8	Very low	45.4	Very low	78 Å²	78	143 Å²	143	65%	0.645	71%	0.714	S	S	*	*	H	α-helix	trans	-80	-18.2	178.9	0	0	0	0	0	113.7	H447 M449	H447-A451 PolarHBondContact O-N 3Å; M449-A451 VanDerWaalsContact C-N 3.33Å
452	M	46.1	Very low	44	Very low	169 Å²	169	144.2 Å²	144.2	83%	0.833	72%	0.719	S	S	*	*	S	Bend	trans	-84.8	-12	-179.9	-72.1	-177.5	68.1	0	0	113.9
453	S	43.1	Very low	42.8	Very low	102 Å²	102	143.1 Å²	143.1	71%	0.713	72%	0.724	S	S	*	*	S	Bend	trans	-101.8	6.4	-173.2	63.1	0	0	0	0	115.1	A450	A450-S453 PolarHBondContact O-OG 2.64Å
454	A	41.2	Very low	41.4	Very low	84 Å²	84	143 Å²	143	69%	0.694	73%	0.731	S	S	*	*			trans	-121.2	88.4	-178	0	0	0	0	0	110.8
455	Q	33.1	Very low	39.8	Very low	187 Å²	187	145.7 Å²	145.7	87%	0.874	74%	0.743	S	S	*	*			trans	-139.2	91.1	167.4	-132.9	163.1	-10.1	0	0	107.8
456	E	33.7	Very low	38.9	Very low	197 Å²	197	149.5 Å²	149.5	92%	0.921	76%	0.759	S	S	*	*			trans	-114.1	141	172.2	-87	-175.2	161.5	0	0	110.7
457	Y	32.2	Very low	37.7	Very low	230 Å²	230	151.9 Å²	151.9	90%	0.902	77%	0.768	S	S	*	*			trans	-71.1	137.6	-171.5	-84.7	-108.4	0	0	0	112.6
458	Y	28.3	Very low	36.5	Very low	194 Å²	194	148.3 Å²	148.3	76%	0.761	77%	0.771	S	S	*	*			trans	-94.2	128.3	175.2	-168.8	-90.5	0	0	0	110.2	D460	Y458-D460 HydrophobicContact CD1-CB 4.41Å; Y458-D460 HydrophobicContact CE1-CB 3.84Å; Y458-D460 PolarHBondContact OH-OD1 3.27Å
459	V	30.8	Very low	35.6	Very low	138 Å²	138	146.2 Å²	146.2	84%	0.836	78%	0.778	S	S	*	*			trans	-123.5	123.3	165.5	-174.8	0	0	0	0	108.3
460	D	28.3	Very low	34.6	Very low	117 Å²	117	146.7 Å²	146.7	63%	0.626	78%	0.782	S	S	*	*			trans	-85	131.2	-172.7	-151.2	18.4	0	0	0	110.6	Y458	Y458-D460 HydrophobicContact CD1-CB 4.41Å; Y458-D460 HydrophobicContact CE1-CB 3.84Å; Y458-D460 PolarHBondContact OH-OD1 3.27Å
461	Y	27.1	Very low	33.5	Very low	207 Å²	207	149.4 Å²	149.4	81%	0.812	79%	0.792	S	S	*	*			trans	-132.2	116	173.6	-160.9	-90.9	0	0	0	110.5
462	K	32.9	Very low	32.5	Very low	184 Å²	184	153.5 Å²	153.5	80%	0.8	80%	0.801	S	S	*	*			trans	-92	130.2	172.8	-93.9	-177.7	173	176.1	0	110.8
463	P	32.2	Very low	31.8	Very low	114 Å²	114	152.3 Å²	152.3	74%	0.74	80%	0.797	S	S	*	*			trans	-107.5	126.9	157.8	17.5	1.6	0	0	0	111.7
464	N	29.6	Very low	31.1	Very low	154 Å²	154	154.1 Å²	154.1	82%	0.824	80%	0.798	S	S	*	*			trans	-81.5	121.4	158.1	-83.3	-16.1	0	0	0	108.5
465	H	30.7	Very low	30.5	Very low	188 Å²	188	158.2 Å²	158.2	87%	0.87	80%	0.803	S	S	*	*				176.3	147.9	126.8	-113.3	-90.3	0	0	0	112.3
466	I	35.8	Very low	30.5	Very low	156 Å²	156	160.1 Å²	160.1	80%	0.8	80%	0.804	S	S	*	*			trans	-92.5	138.2	-177.7	-65.1	161.2	0	0	0	109.8
467	E	30.5	Very low	30.2	Very low	197 Å²	197	154.2 Å²	154.2	92%	0.921	80%	0.796	S	S	*	*			trans	162.9	140.1	146.9	-94.8	174.8	-173.6	0	0	105.6
468	G	28.7	Very low	30	Very low	72 Å²	72	149.1 Å²	149.1	74%	0.742	79%	0.794	S	S	*	*			cis	161.7	138.6	15.3	0	0	0	0	0	104.2
469	A	30.9	Very low	29.9	Very low	95 Å²	95	146.2 Å²	146.2	79%	0.785	80%	0.801	S	S	*	*			trans	-70.1	150.1	-177.1	0	0	0	0	0	113
470	L	28.5	Very low	29.8	Very low	156 Å²	156	145.1 Å²	145.1	82%	0.817	80%	0.799	S	S	*	*			trans	179.3	117.6	136.2	-111.2	104.5	0	0	0	109.1
471	V	29.7	Very low	29.6	Very low	118 Å²	118	145.9 Å²	145.9	72%	0.715	81%	0.812	S	S	*	*				52.9	113.1	97.7	-175.5	0	0	0	0	113.8
472	I	29.2	Very low	29.7	Very low	164 Å²	164	144.8 Å²	144.8	84%	0.841	81%	0.814	S	S	*	*			trans	-125	118.2	163.1	-57.6	179.4	0	0	0	109
473	I	31.1	Very low	29.7	Very low	144 Å²	144	145 Å²	145	74%	0.738	82%	0.817	S	S	*	*			trans	-101.3	133.3	158.2	-68.5	173.1	0	0	0	106.6
474	N	28.2	Very low	29.6	Very low	140 Å²	140	148.3 Å²	148.3	75%	0.749	82%	0.823	S	S	*	*			trans	15.9	121.7	152.7	-83	3.5	0	0	0	119.7
475	E	28.3	Very low	29.8	Very low	170 Å²	170	147 Å²	147	79%	0.794	82%	0.823	S	S	*	*				164.9	164.6	101.2	-105.7	176	-170.2	0	0	112.7
476	Y	32.9	Very low	30	Very low	228 Å²	228	142.8 Å²	142.8	89%	0.894	82%	0.821	S	S	*	*			trans	-40.9	139.3	-170.5	-68.4	-97.3	0	0	0	118.8
477	G	29.3	Very low	30	Very low	72 Å²	72	147 Å²	147	74%	0.742	83%	0.827	S	S	*	*			trans	-168.5	125.7	163.1	0	0	0	0	0	112.9
478	S	27.7	Very low	30.2	Very low	123 Å²	123	147 Å²	147	86%	0.86	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.1	179.9	52.7	0	0	0	0	113.2
479	C	26.1	Very low	30.3	Very low	134 Å²	134	149.5 Å²	149.5	91%	0.905	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-93.8	116.9	171.6	-72.6	0	0	0	0	111
480	S	27.9	Very low	30.7	Very low	115 Å²	115	154.1 Å²	154.1	80%	0.804	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-95.6	132.6	161.8	47.8	0	0	0	0	109.4
481	C	25.3	Very low	31.3	Very low	133 Å²	133	156.7 Å²	156.7	90%	0.899	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-90.9	121.1	-177.8	-156.1	0	0	0	0	109.3
482	H	29.2	Very low	31.4	Very low	184 Å²	184	158.6 Å²	158.6	85%	0.852	87%	0.865	S	S	*	*			trans	-108	115.8	167.8	-106.6	-54.6	0	0	0	109.8
483	Q	31.8	Very low	31.5	Very low	187 Å²	187	158.3 Å²	158.3	87%	0.874	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-80	126.3	175.8	-159.3	168.6	12.6	0	0	109.1
484	Q	30.7	Very low	31.5	Very low	185 Å²	185	159.1 Å²	159.1	86%	0.864	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-103.3	143.5	170	-81.4	-168.4	-21.1	0	0	111.2
485	P	33	Very low	31.7	Very low	126 Å²	126	160.2 Å²	160.2	82%	0.818	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-87.1	153.3	-168.8	34.6	-33.9	0	0	0	113.5
486	A	35.8	Very low	31.9	Very low	99 Å²	99	159.6 Å²	159.6	82%	0.818	89%	0.887	S	S	*	*	P	Polyproline II helix	trans	-57.7	148.3	176.5	0	0	0	0	0	113.4
487	R	35.3	Very low	31.9	Very low	245 Å²	245	155.1 Å²	155.1	93%	0.925	89%	0.886	S	S	*	*			trans	-136.3	139.1	156.4	-86.6	-169.2	172.8	-176.9	-2.8	111.2
488	E	34	Very low	32	Very low	196 Å²	196	161 Å²	161	92%	0.916	90%	0.896	S	S	*	*			trans	-71.2	154.9	-166.4	-66.2	153.4	146.5	0	0	113.5
489	C	32.6	Very low	32.4	Very low	125 Å²	125	163.9 Å²	163.9	85%	0.845	90%	0.899	S	S	*	*			trans	-92.6	138.2	170	-61.7	0	0	0	0	110.3
490	E	38.7	Very low	32.9	Very low	192 Å²	192	166.4 Å²	166.4	90%	0.897	90%	0.899	S	S	*	*			trans	-170.7	133	153.2	-104.4	173.4	-157.5	0	0	104.7
491	V	40.6	Very low	33.3	Very low	210 Å²	210	171.1 Å²	171.1	100%	1.273	91%	0.907	S	S	*	*			cis	-142	0	24.8	172.4	0	0	0	0	109.6

Retrieved 491 of 491 residues in 2902.2 ms (Link to these results)

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