A0A5K4EZU0_SCHMA Loading...

C3H1-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 387 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	48.6	Very low	50.1	Low	240 Å²	240	163.1 Å²	163.1	100%	1.182	84%	0.836	S	S	*	*				0	88.3	0	-79	168.7	163.3	0	0	106.8
2	N	41.4	Very low	51.5	Low	141 Å²	141	161.6 Å²	161.6	75%	0.754	83%	0.831	S	S	*	*			trans	-96	138.9	-177.1	-62.6	7.9	0	0	0	108.5
3	K	43.2	Very low	52.7	Low	204 Å²	204	156.2 Å²	156.2	89%	0.887	80%	0.804	S	S	*	*			trans	-125.3	87.1	169.6	-77.2	-172.2	175.8	-177.5	0	107.4	V5	K3-V5 PolarHBondContact O-N 3.28Å
4	D	48.4	Very low	53.6	Low	140 Å²	140	150 Å²	150	75%	0.749	78%	0.779	S	S	*	*			trans	-69	126.3	173.9	-62.2	-74.3	0	0	0	109.5	H6	D4-H6 PolarHBondContact O-N 2.89Å
5	V	50.9	Low	54.3	Low	139 Å²	139	147.5 Å²	147.5	84%	0.842	78%	0.776	S	S	*	*			trans	-84.4	108.5	179.7	176.4	0	0	0	0	108	K3 E7	K3-V5 PolarHBondContact O-N 3.28Å; V5-E7 PolarHBondContact O-N 3.13Å; V5-E7 VanDerWaalsContact O-N 3.14Å
6	H	45.6	Very low	55.3	Low	182 Å²	182	152.8 Å²	152.8	84%	0.843	78%	0.782	S	S	*	*			trans	-70.6	105.6	173.6	-107.5	-66.1	0	0	0	110.3	D4 Q8	D4-H6 PolarHBondContact O-N 2.89Å; H6-Q8 PolarHBondContact O-N 3.01Å
7	E	51.9	Low	56.3	Low	178 Å²	178	151.1 Å²	151.1	83%	0.832	77%	0.77	S	S	*	*			trans	-72.1	113.5	172.1	-164.2	163.9	122.8	0	0	109.8	V5 Q9	V5-E7 PolarHBondContact O-N 3.13Å; V5-E7 VanDerWaalsContact O-N 3.14Å; E7-Q9 PolarHBondContact O-N 3.34Å
8	Q	49.3	Very low	57.1	Low	186 Å²	186	150.2 Å²	150.2	87%	0.869	77%	0.767	S	S	*	*			trans	-77.7	101.7	-179	-70.3	-178.8	-36.5	0	0	110.2	H6 S10	H6-Q8 PolarHBondContact O-N 3.01Å; Q8-S10 PolarHBondContact O-N 3.13Å; Q8-S10 VanDerWaalsContact O-N 3.16Å
9	Q	54.6	Low	57.8	Low	191 Å²	191	147.5 Å²	147.5	89%	0.893	76%	0.76	S	S	*	*			trans	-62.4	113.6	168.1	-78.8	179.2	-33	0	0	110.1	E7	E7-Q9 PolarHBondContact O-N 3.34Å
10	S	53.4	Low	58.5	Low	82 Å²	82	145.8 Å²	145.8	57%	0.573	76%	0.758	S	S	*	*			trans	-77.9	129.6	173.5	56.8	0	0	0	0	110.7	Q8 D12	Q8-S10 PolarHBondContact O-N 3.13Å; Q8-S10 VanDerWaalsContact O-N 3.16Å; S10-D12 VanDerWaalsContact C-N 3.26Å; S10-D12 PolarHBondContact O-N 3.47Å
11	S	63.3	Low	59.4	Low	111 Å²	111	144.2 Å²	144.2	78%	0.776	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-5.5	-173.9	52.3	0	0	0	0	115.2
12	D	67.7	Low	60.7	Low	145 Å²	145	138.7 Å²	138.7	78%	0.775	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	11.5	-161.9	-64	-10.4	0	0	0	113.9	S10	S10-D12 VanDerWaalsContact C-N 3.26Å; S10-D12 PolarHBondContact O-N 3.47Å
13	L	66.8	Low	62.4	Low	91 Å²	91	138.1 Å²	138.1	48%	0.476	74%	0.741	S	S	.	*			trans	-77.3	137.5	179.5	-70.2	177.2	0	0	0	112	H17	L13-H17 HydrophobicContact CB-CB 4.09Å; L13-H17 HydrophobicContact CD1-CB 4.41Å
14	P	64.9	Low	63.5	Low	70 Å²	70	133.9 Å²	133.9	46%	0.455	73%	0.734	S	S	.	*			trans	-55.9	148.6	176.6	-25.4	32.8	0	0	0	112.6	W16 H17	P14-W16 PolarHBondContact O-N 3.24Å; P14-H17 PolarHBondContact O-N 3.47Å
15	P	63.8	Low	64.2	Low	112 Å²	112	134.7 Å²	134.7	73%	0.727	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-53.3	-23.2	-175.9	-29.5	35.6	0	0	0	115.8	H17 L18	P15-H17 VanDerWaalsContact C-N 3.3Å; P15-H17 PolarHBondContact O-N 3.38Å; P15-L18 CarbonylContact O-C 3.53Å; P15-L18 PolarHBondContact O-N 3.01Å
16	W	70.6	Confident	64.5	Low	233 Å²	233	133.1 Å²	133.1	88%	0.883	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-72.4	-16	177.6	-50	104	0	0	0	114.5	P14	P14-W16 PolarHBondContact O-N 3.24Å
17	H	71.8	Confident	64.9	Low	123 Å²	123	129.9 Å²	129.9	57%	0.569	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-81.1	-16.1	175	-82.7	-89.4	0	0	0	113.6	L13 P14 P15	L13-H17 HydrophobicContact CB-CB 4.09Å; L13-H17 HydrophobicContact CD1-CB 4.41Å; P14-H17 PolarHBondContact O-N 3.47Å; P15-H17 VanDerWaalsContact C-N 3.3Å; P15-H17 PolarHBondContact O-N 3.38Å
18	L	71.9	Confident	65	Low	136 Å²	136	127.9 Å²	127.9	71%	0.712	72%	0.724	S	S	*	*	S	Bend	trans	-130.4	72.1	177.4	-72.4	167.2	0	0	0	108.7	P15	P15-L18 CarbonylContact O-C 3.53Å; P15-L18 PolarHBondContact O-N 3.01Å
19	P	70.1	Confident	65.1	Low	99 Å²	99	126.5 Å²	126.5	64%	0.643	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-58	136.9	175.9	26	-34.1	0	0	0	109.5
20	P	72.6	Confident	64.5	Low	112 Å²	112	124.4 Å²	124.4	73%	0.727	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-59.9	145.9	-180	25.4	-34.1	0	0	0	110.3
21	P	75.5	Confident	63.7	Low	114 Å²	114	128 Å²	128	74%	0.74	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-57.5	145.9	177.6	25	-34	0	0	0	110.3	V23	P21-V23 PolarHBondContact O-N 3.28Å
22	P	76	Confident	63	Low	124 Å²	124	128.3 Å²	128.3	81%	0.805	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-57.7	131.9	-179.9	24.3	-33.5	0	0	0	110.1
23	V	78.1	Confident	61.7	Low	128 Å²	128	126.4 Å²	126.4	78%	0.776	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-56.4	130.9	-178.9	-162.6	0	0	0	0	108.9	P21 I25	P21-V23 PolarHBondContact O-N 3.28Å; V23-I25 PolarHBondContact O-N 3.19Å; V23-I25 VanDerWaalsContact O-N 3.16Å
24	P	65.7	Low	60.4	Low	115 Å²	115	131.4 Å²	131.4	75%	0.747	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-54.8	124.4	176.3	-26.1	34.7	0	0	0	110.3	P26	P24-P26 WeakPolarHBondContact O-CD 3.23Å
25	I	63.9	Low	59.2	Low	158 Å²	158	130.8 Å²	130.8	81%	0.81	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.8	172	-55.9	172.7	0	0	0	105.8	V23	V23-I25 PolarHBondContact O-N 3.19Å; V23-I25 VanDerWaalsContact O-N 3.16Å
26	P	56.5	Low	58	Low	106 Å²	106	130.4 Å²	130.4	69%	0.688	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-60.8	138.8	179.2	25.2	-33.3	0	0	0	109.1	P24 V28	P24-P26 WeakPolarHBondContact O-CD 3.23Å; P26-V28 PolarHBondContact O-N 2.9Å
27	P	55.4	Low	56.7	Low	113 Å²	113	124.8 Å²	124.8	73%	0.734	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-57.7	142.5	174.7	25.8	-33.7	0	0	0	109.3	I29	P27-I29 PolarHBondContact O-N 2.75Å; P27-I29 VanDerWaalsContact O-N 3.11Å
28	V	53.8	Low	55.2	Low	136 Å²	136	125 Å²	125	82%	0.824	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.3	120.8	171.3	176.5	0	0	0	0	107.2	P26 E30	P26-V28 PolarHBondContact O-N 2.9Å; V28-E30 PolarHBondContact O-N 3.32Å
29	I	50.1	Low	53.9	Low	158 Å²	158	122.5 Å²	122.5	81%	0.81	73%	0.734	S	S	*	*			trans	-69.8	99.1	179.8	-61.8	174.9	0	0	0	107.5	P27	P27-I29 PolarHBondContact O-N 2.75Å; P27-I29 VanDerWaalsContact O-N 3.11Å
30	E	42	Very low	53.2	Low	146 Å²	146	123.7 Å²	123.7	68%	0.682	74%	0.74	S	S	*	*			trans	-68.9	141.8	167	-108.2	-167.1	106.5	0	0	110.6	V28	V28-E30 PolarHBondContact O-N 3.32Å
31	Q	37	Very low	53.1	Low	159 Å²	159	124.1 Å²	124.1	74%	0.743	74%	0.74	S	S	*	*			trans	61.4	85	154.8	-54.9	-179.8	26.8	0	0	116.2
32	V	48.1	Very low	53.3	Low	117 Å²	117	123.7 Å²	123.7	71%	0.709	73%	0.73	S	S	*	*			trans	-61.6	137.3	160.8	-179	0	0	0	0	109.3
33	P	41.9	Very low	54	Low	105 Å²	105	123.8 Å²	123.8	68%	0.682	72%	0.719	S	S	*	*			trans	-61.7	153.6	-177.1	-23.3	33.8	0	0	0	113.7	G35	P33-G35 PolarHBondContact O-N 2.9Å
34	H	38.8	Very low	54.7	Low	196 Å²	196	123.4 Å²	123.4	91%	0.907	71%	0.707	S	S	*	*	S	Bend	trans	-63.4	92	178.6	-69.5	75.3	0	0	0	111.6
35	G	39	Very low	56.2	Low	56 Å²	56	118.2 Å²	118.2	58%	0.577	67%	0.673	S	S	*	*	S	Bend	trans	-159.9	105.2	176.3	0	0	0	0	0	111.5	P33 I37	P33-G35 PolarHBondContact O-N 2.9Å; G35-I37 PolarHBondContact O-N 3.11Å
36	A	38.8	Very low	57.7	Low	105 Å²	105	112.9 Å²	112.9	87%	0.868	65%	0.65	S	S	*	*			trans	42.4	56.8	170.1	0	0	0	0	0	115.6	V38	A36-V38 PolarHBondContact O-N 3.3Å
37	I	43.1	Very low	59.6	Low	114 Å²	114	111 Å²	111	59%	0.585	63%	0.632	S	S	*	*			trans	-70.8	97	-177.8	-50.8	178	0	0	0	110.2	G35 S39	G35-I37 PolarHBondContact O-N 3.11Å; I37-S39 PolarHBondContact O-N 3.47Å
38	V	41	Very low	61.6	Low	127 Å²	127	106.1 Å²	106.1	77%	0.77	60%	0.599	S	S	*	*			trans	-66.4	88	154	180	0	0	0	0	106.5	A36 T40	A36-V38 PolarHBondContact O-N 3.3Å; V38-T40 VanDerWaalsContact C-N 3.29Å; V38-T40 HydrophobicContact CG1-CG2 4.42Å; V38-T40 PolarHBondContact O-N 3.39Å
39	S	44.5	Very low	63.6	Low	85 Å²	85	104.5 Å²	104.5	59%	0.594	58%	0.578	S	S	*	*			trans	-71.6	89.2	179.2	-169.6	0	0	0	0	108.6	I37 V41	I37-S39 PolarHBondContact O-N 3.47Å; S39-V41 PolarHBondContact O-N 3.47Å
40	T	56.6	Low	65.7	Low	123 Å²	123	99.4 Å²	99.4	76%	0.755	55%	0.55	S	S	*	.			trans	-69.4	80.2	163.1	43.9	0	0	0	0	107.7	V38 M42	V38-T40 VanDerWaalsContact C-N 3.29Å; V38-T40 HydrophobicContact CG1-CG2 4.42Å; V38-T40 PolarHBondContact O-N 3.39Å; T40-M42 PolarHBondContact O-N 3.5Å
41	V	68.7	Low	68.4	Low	122 Å²	122	92.5 Å²	92.5	74%	0.739	52%	0.517	S	S	*	.			trans	-54.2	100.8	176.1	179.7	0	0	0	0	107.9	S39 E43	S39-V41 PolarHBondContact O-N 3.47Å; V41-E43 PolarHBondContact O-N 3.46Å; V41-E43 VanDerWaalsContact O-N 3.13Å
42	M	80	Confident	71.2	Confident	105 Å²	105	85 Å²	85	52%	0.517	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-63.5	118.9	-174.4	-175	-175.3	-68.6	0	0	108.8	T40 K44 L63	T40-M42 PolarHBondContact O-N 3.5Å; M42-K44 PolarHBondContact O-N 3.2Å; M42-L63 HydrophobicContact CB-CB 4.39Å; M42-L63 HydrophobicContact CG-CB 4.21Å; M42-L63 HydrophobicContact SD-CB 4.13Å
43	E	91.4	Very high	73.5	Confident	126 Å²	126	79.7 Å²	79.7	59%	0.589	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-53.1	132.4	-178.6	-68.2	-171.3	159.1	0	0	111	V41 C45 R62 L63	V41-E43 PolarHBondContact O-N 3.46Å; V41-E43 VanDerWaalsContact O-N 3.13Å; E43-C45 PolarHBondContact O-N 3.09Å; E43-R62 WeakPolarHBondContact O-CA 3.09Å; E43-R62 VanDerWaalsContact O-CB 3.28Å; E43-R62 WeakPolarHBondContact O-CB 3.46Å; E43-R62 IonicContact OE2-CZ 2.82Å; E43-R62 IonicContact OE2-NE 2.78Å; E43-R62 IonicContact OE2-NH2 3.54Å; E43-R62 PolarHBondContact OE2-NH2 3.46Å; E43-L63 PolarHBondContact O-N 2.83Å
44	K	93.5	Very high	76.2	Confident	120 Å²	120	75.2 Å²	75.2	52%	0.522	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-62.9	136	174.8	-60.3	-170.1	-175.2	-170.4	0	110	M42 S46	M42-K44 PolarHBondContact O-N 3.2Å; K44-S46 PolarHBondContact O-N 3.2Å; K44-S46 VanDerWaalsContact O-N 3.1Å
45	C	96.4	Very high	79	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.034	41%	0.405	C	S	.	.			trans	-68.2	110.6	177.9	-178.2	0	0	0	0	110.6	E43 F47 F48 R49 R62 L63 H64	E43-C45 PolarHBondContact O-N 3.09Å; C45-F47 VanDerWaalsContact C-N 3.26Å; C45-F47 PolarHBondContact O-N 3.47Å; C45-F48 HydrophobicContact CB-CB 3.88Å; C45-F48 PolarHBondContact O-N 2.9Å; C45-R49 WeakPolarHBondContact O-CB 3.5Å; C45-R49 PolarHBondContact O-N 2.95Å; C45-R62 HydrophobicContact CB-CB 3.74Å; C45-L63 WeakPolarHBondContact CB-O 3.42Å; C45-L63 PolarHBondContact N-O 3.22Å; C45-H64 WeakPolarHBondContact CB-CD2 3.33Å; C45-H64 PolarHBondContact SG-NE2 3.17Å
46	S	95.2	Very high	81.7	Confident	47 Å²	47	75.7 Å²	75.7	33%	0.329	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-29.5	-177.1	56.2	0	0	0	0	114.1	K44 K50	K44-S46 PolarHBondContact O-N 3.2Å; K44-S46 VanDerWaalsContact O-N 3.1Å; S46-K50 WeakPolarHBondContact O-CG 3.47Å; S46-K50 PolarHBondContact O-N 2.73Å
47	F	96.7	Very high	84.3	Confident	67 Å²	67	72.1 Å²	72.1	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-73.1	-53.8	174.1	-67.3	-66.1	0	0	0	110.9	C45 R49 K50 T51 A53 N231 F232	C45-F47 VanDerWaalsContact C-N 3.26Å; C45-F47 PolarHBondContact O-N 3.47Å; F47-R49 VanDerWaalsContact C-N 3.29Å; F47-R49 PolarHBondContact O-N 3.27Å; F47-K50 PolarHBondContact O-N 2.71Å; F47-T51 PolarHBondContact O-N 3.49Å; F47-T51 PolarHBondContact O-OG1 3.2Å; F47-A53 CarbonylContact C-O 3.59Å; F47-N231 HydrophobicContact CD1-CB 3.46Å; F47-N231 VanDerWaalsContact CD1-CB 3.46Å; F47-N231 HydrophobicContact CE1-CB 3.6Å; F47-N231 WeakPolarHBondContact CE1-ND2 3.16Å; F47-N231 HydrophobicContact CG-CB 4.12Å; F47-N231 HydrophobicContact CZ-CB 4.35Å; F47-N231 VanDerWaalsContact CZ-ND2 3.27Å; F47-N231 WeakPolarHBondContact CZ-ND2 3.22Å; F47-F232 HydrophobicContact CE1-CE2 4.49Å
48	F	97	Very high	86.6	Confident	10 Å²	10	75.7 Å²	75.7	4%	0.044	39%	0.385	C	S	.	.	H	α-helix	trans	-56.4	-43.3	178.4	-173.9	-91.2	0	0	0	111.9	C45 K50 G52 A53 C54 H64 Q65 Y66	C45-F48 HydrophobicContact CB-CB 3.88Å; C45-F48 PolarHBondContact O-N 2.9Å; F48-K50 PolarHBondContact O-N 3.39Å; F48-G52 WeakPolarHBondContact CE2-O 3.24Å; F48-G52 VanDerWaalsContact O-CA 3.3Å; F48-G52 WeakPolarHBondContact O-CA 3.47Å; F48-G52 PolarHBondContact O-N 3.15Å; F48-A53 WeakPolarHBondContact CA-O 3.17Å; F48-A53 PolarHBondContact N-O 3.09Å; F48-C54 HydrophobicContact CB-CB 4.35Å; F48-H64 HydrophobicContact CD1-CB 3.86Å; F48-H64 HydrophobicContact CD2-CB 4.16Å; F48-H64 AromaticContact CD2-CG 3.81Å; F48-H64 AromaticContact CD2-ND1 3.91Å; F48-H64 HydrophobicContact CE1-CB 4.02Å; F48-H64 HydrophobicContact CE2-CB 4.3Å; F48-H64 HydrophobicContact CG-CB 3.94Å; F48-H64 AromaticContact CG-CD2 3.69Å; F48-H64 AromaticContact CG-CG 3.69Å; F48-H64 HydrophobicContact CZ-CB 4.24Å; F48-Q65 WeakPolarHBondContact CE1-O 3.34Å; F48-Y66 HydrophobicContact CE2-CD1 4.43Å; F48-Y66 AromaticContact CE2-CE1 3.77Å; F48-Y66 HydrophobicContact CE2-CE1 3.77Å; F48-Y66 HydrophobicContact CE2-CE2 4.26Å; F48-Y66 AromaticContact CE2-CZ 3.67Å; F48-Y66 AromaticContact CZ-CD1 3.68Å; F48-Y66 HydrophobicContact CZ-CD1 3.68Å; F48-Y66 HydrophobicContact CZ-CD2 4.1Å; F48-Y66 AromaticContact CZ-CE1 3.47Å; F48-Y66 HydrophobicContact CZ-CE1 3.47Å; F48-Y66 VanDerWaalsContact CZ-CE1 3.47Å; F48-Y66 AromaticContact CZ-CE2 3.92Å; F48-Y66 HydrophobicContact CZ-CE2 3.92Å; F48-Y66 AromaticContact CZ-CG 3.98Å; F48-Y66 HydrophobicContact CZ-CG 3.98Å; F48-Y66 AromaticContact CZ-CZ 3.6Å
49	R	95.3	Very high	89.2	Confident	102 Å²	102	75.8 Å²	75.8	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-57.1	-34.1	175.7	-167.7	-172.3	74.3	73.1	-2.4	113.2	C45 F47 G207 E212	C45-R49 WeakPolarHBondContact O-CB 3.5Å; C45-R49 PolarHBondContact O-N 2.95Å; F47-R49 VanDerWaalsContact C-N 3.29Å; F47-R49 PolarHBondContact O-N 3.27Å; R49-G207 PolarHBondContact NH1-O 2.85Å; R49-G207 WeakPolarHBondContact O-CA 3.16Å; R49-G207 PolarHBondContact O-N 3.13Å; R49-E212 IonicContact NH2-OE2 3.72Å
50	K	95.7	Very high	91.6	Very high	51 Å²	51	72.9 Å²	72.9	22%	0.222	36%	0.36	C	S	.	.	H	α-helix	trans	-91.3	-36.4	-176	-73	175.1	-177.7	-89.9	0	113.3	S46 F47 F48 E212 A213 F232	S46-K50 WeakPolarHBondContact O-CG 3.47Å; S46-K50 PolarHBondContact O-N 2.73Å; F47-K50 PolarHBondContact O-N 2.71Å; F48-K50 PolarHBondContact O-N 3.39Å; K50-E212 HydrophobicContact CG-CB 4.41Å; K50-E212 IonicContact NZ-OE2 3.56Å; K50-E212 PolarHBondContact NZ-OE2 3.49Å; K50-A213 WeakPolarHBondContact O-CA 3.46Å; K50-A213 VanDerWaalsContact O-CB 3.29Å; K50-A213 WeakPolarHBondContact O-CB 3.44Å; K50-F232 HydrophobicContact CD-CE1 4.06Å
51	T	97.1	Very high	93.4	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-118.1	-5.5	-169.9	61.4	0	0	0	0	114.7	F47 A53 Y172 L206 N231 F232 L233	F47-T51 PolarHBondContact O-N 3.49Å; F47-T51 PolarHBondContact O-OG1 3.2Å; T51-A53 PolarHBondContact O-N 3.09Å; T51-A53 PolarHBondContact OG1-N 3.21Å; T51-A53 PolarHBondContact OG1-O 3.35Å; T51-A53 VanDerWaalsContact OG1-O 3.07Å; T51-Y172 VanDerWaalsContact O-CE1 3.22Å; T51-Y172 WeakPolarHBondContact O-CE1 3.35Å; T51-Y172 PolarHBondContact O-OH 2.88Å; T51-L206 VanDerWaalsContact C-CD2 3.47Å; T51-N231 WeakPolarHBondContact CG2-O 3.33Å; T51-F232 HydrophobicContact CG2-CD1 4.28Å; T51-L233 HydrophobicContact CG2-CD2 4.31Å; T51-L233 HydrophobicContact CG2-CG 4.45Å
52	G	96.4	Very high	94.7	Very high	2 Å²	2	71.1 Å²	71.1	2%	0.021	34%	0.343	C	S	.	.	S	Bend	trans	66.2	12.4	-168.9	0	0	0	0	0	113.7	F48 Q100	F48-G52 WeakPolarHBondContact CE2-O 3.24Å; F48-G52 VanDerWaalsContact O-CA 3.3Å; F48-G52 WeakPolarHBondContact O-CA 3.47Å; F48-G52 PolarHBondContact O-N 3.15Å; G52-Q100 PolarHBondContact O-NE2 3.11Å
53	A	97.4	Very high	95.3	Very high	6 Å²	6	69.9 Å²	69.9	5%	0.05	34%	0.338	C	S	.	.			trans	-143.3	149.8	-175.8	0	0	0	0	0	112.3	F47 F48 T51 L167	F47-A53 CarbonylContact C-O 3.59Å; F48-A53 WeakPolarHBondContact CA-O 3.17Å; F48-A53 PolarHBondContact N-O 3.09Å; T51-A53 PolarHBondContact O-N 3.09Å; T51-A53 PolarHBondContact OG1-N 3.21Å; T51-A53 PolarHBondContact OG1-O 3.35Å; T51-A53 VanDerWaalsContact OG1-O 3.07Å; A53-L167 HydrophobicContact CB-CD2 3.52Å
54	C	97.6	Very high	95.5	Very high	11 Å²	11	65.3 Å²	65.3	7%	0.074	32%	0.316	C	S	.	.			trans	-141.9	134.9	177.7	178.3	0	0	0	0	110.2	F48 Y56 G57 H64	F48-C54 HydrophobicContact CB-CB 4.35Å; C54-Y56 PolarHBondContact O-N 3.05Å; C54-G57 PolarHBondContact O-N 3.25Å; C54-H64 WeakPolarHBondContact CB-CE1 3.24Å; C54-H64 VanDerWaalsContact CB-NE2 3.33Å; C54-H64 WeakPolarHBondContact CB-NE2 3.41Å; C54-H64 PolarHBondContact SG-NE2 3.32Å
55	R	96.7	Very high	95.4	Very high	140 Å²	140	64.7 Å²	64.7	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.6	179	72.5	-178.5	-176.6	-178.7	0.9	115	H166	R55-H166 VanDerWaalsContact CA-CG 3.47Å; R55-H166 PolarHBondContact N-CD2 3.06Å
56	Y	96.4	Very high	95.2	Very high	121 Å²	121	70.3 Å²	70.3	48%	0.475	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-12.3	179.2	-59.2	-68.3	0	0	0	113.5	C54 F58 L59	C54-Y56 PolarHBondContact O-N 3.05Å; Y56-F58 PolarHBondContact O-N 3.45Å; Y56-L59 WeakPolarHBondContact O-CA 3.4Å; Y56-L59 WeakPolarHBondContact O-CB 3.47Å; Y56-L59 PolarHBondContact O-N 3.3Å
57	G	93	Very high	95.1	Very high	31 Å²	31	68.7 Å²	68.7	32%	0.32	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	52	-128.7	-176.3	0	0	0	0	0	112.3	C54 L59 C60 H64	C54-G57 PolarHBondContact O-N 3.25Å; G57-L59 PolarHBondContact O-N 3.41Å; G57-C60 PolarHBondContact O-N 2.82Å; G57-H64 PolarHBondContact O-CE1 3.42Å; G57-H64 PolarHBondContact O-ND1 2.93Å
58	F	91.2	Very high	94.8	Very high	189 Å²	189	67.4 Å²	67.4	83%	0.829	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-68.6	-13.9	176.9	66.9	-86.2	0	0	0	114.4	Y56 C60	Y56-F58 PolarHBondContact O-N 3.45Å; F58-C60 VanDerWaalsContact C-N 3.28Å; F58-C60 PolarHBondContact O-N 2.86Å
59	L	95.6	Very high	94.4	Very high	129 Å²	129	71 Å²	71	68%	0.675	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-89.2	13.6	176.4	-59.3	173.8	0	0	0	112.8	Y56 G57	Y56-L59 WeakPolarHBondContact O-CA 3.4Å; Y56-L59 WeakPolarHBondContact O-CB 3.47Å; Y56-L59 PolarHBondContact O-N 3.3Å; G57-L59 PolarHBondContact O-N 3.41Å
60	C	95.7	Very high	93.6	Very high	24 Å²	24	74.6 Å²	74.6	16%	0.162	35%	0.352	C	S	.	.			trans	-74.8	131.5	177.6	-159.8	0	0	0	0	110.9	G57 F58 R62 H64	G57-C60 PolarHBondContact O-N 2.82Å; F58-C60 VanDerWaalsContact C-N 3.28Å; F58-C60 PolarHBondContact O-N 2.86Å; C60-R62 PolarHBondContact O-N 2.73Å; C60-R62 VanDerWaalsContact O-N 3.16Å; C60-H64 WeakPolarHBondContact CB-NE2 3.41Å
61	S	94.6	Very high	92.3	Very high	107 Å²	107	75.2 Å²	75.2	75%	0.748	36%	0.358	S	S	*	.	S	Bend	trans	-75.6	10	173.2	56.3	0	0	0	0	114.3
62	R	95	Very high	90.5	Very high	101 Å²	101	76.3 Å²	76.3	38%	0.381	36%	0.364	S	S	.	.	S	Bend	trans	-129	149.4	-177.7	-71.4	-172.6	177.6	-162.3	-9.6	110	E43 C45 C60 H64	E43-R62 WeakPolarHBondContact O-CA 3.09Å; E43-R62 VanDerWaalsContact O-CB 3.28Å; E43-R62 WeakPolarHBondContact O-CB 3.46Å; E43-R62 IonicContact OE2-CZ 2.82Å; E43-R62 IonicContact OE2-NE 2.78Å; E43-R62 IonicContact OE2-NH2 3.54Å; E43-R62 PolarHBondContact OE2-NH2 3.46Å; C45-R62 HydrophobicContact CB-CB 3.74Å; C60-R62 PolarHBondContact O-N 2.73Å; C60-R62 VanDerWaalsContact O-N 3.16Å; R62-H64 PolarHBondContact O-N 3.43Å
63	L	93.9	Very high	88.5	Confident	79 Å²	79	80.2 Å²	80.2	41%	0.414	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-67.8	127.7	-173.7	-178.2	62.5	0	0	0	111.8	M42 E43 C45	M42-L63 HydrophobicContact CB-CB 4.39Å; M42-L63 HydrophobicContact CG-CB 4.21Å; M42-L63 HydrophobicContact SD-CB 4.13Å; E43-L63 PolarHBondContact O-N 2.83Å; C45-L63 WeakPolarHBondContact CB-O 3.42Å; C45-L63 PolarHBondContact N-O 3.22Å
64	H	95	Very high	86.2	Confident	29 Å²	29	85.1 Å²	85.1	13%	0.134	41%	0.408	C	S	.	.			trans	-99.6	102.4	168.3	-68.2	174.7	0	0	0	108.9	C45 F48 C54 G57 C60 R62 Y66	C45-H64 WeakPolarHBondContact CB-CD2 3.33Å; C45-H64 PolarHBondContact SG-NE2 3.17Å; F48-H64 HydrophobicContact CD1-CB 3.86Å; F48-H64 HydrophobicContact CD2-CB 4.16Å; F48-H64 AromaticContact CD2-CG 3.81Å; F48-H64 AromaticContact CD2-ND1 3.91Å; F48-H64 HydrophobicContact CE1-CB 4.02Å; F48-H64 HydrophobicContact CE2-CB 4.3Å; F48-H64 HydrophobicContact CG-CB 3.94Å; F48-H64 AromaticContact CG-CD2 3.69Å; F48-H64 AromaticContact CG-CG 3.69Å; F48-H64 HydrophobicContact CZ-CB 4.24Å; C54-H64 WeakPolarHBondContact CB-CE1 3.24Å; C54-H64 VanDerWaalsContact CB-NE2 3.33Å; C54-H64 WeakPolarHBondContact CB-NE2 3.41Å; C54-H64 PolarHBondContact SG-NE2 3.32Å; G57-H64 PolarHBondContact O-CE1 3.42Å; G57-H64 PolarHBondContact O-ND1 2.93Å; C60-H64 WeakPolarHBondContact CB-NE2 3.41Å; R62-H64 PolarHBondContact O-N 3.43Å; H64-Y66 HydrophobicContact CB-CD2 4.46Å; H64-Y66 HydrophobicContact CB-CE2 3.99Å; H64-Y66 PolarHBondContact O-N 2.95Å
65	Q	91.7	Very high	83.9	Confident	107 Å²	107	89.2 Å²	89.2	50%	0.5	43%	0.426	S	S	.	.			trans	-86.3	92.8	176.4	-174.5	179.2	-0.6	0	0	109.4	F48	F48-Q65 WeakPolarHBondContact CE1-O 3.34Å
66	Y	92.6	Very high	81.6	Confident	123 Å²	123	86.1 Å²	86.1	48%	0.482	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-66.9	142.3	165.2	-66.7	-92.4	0	0	0	108.9	F48 H64	F48-Y66 HydrophobicContact CE2-CD1 4.43Å; F48-Y66 AromaticContact CE2-CE1 3.77Å; F48-Y66 HydrophobicContact CE2-CE1 3.77Å; F48-Y66 HydrophobicContact CE2-CE2 4.26Å; F48-Y66 AromaticContact CE2-CZ 3.67Å; F48-Y66 AromaticContact CZ-CD1 3.68Å; F48-Y66 HydrophobicContact CZ-CD1 3.68Å; F48-Y66 HydrophobicContact CZ-CD2 4.1Å; F48-Y66 AromaticContact CZ-CE1 3.47Å; F48-Y66 HydrophobicContact CZ-CE1 3.47Å; F48-Y66 VanDerWaalsContact CZ-CE1 3.47Å; F48-Y66 AromaticContact CZ-CE2 3.92Å; F48-Y66 HydrophobicContact CZ-CE2 3.92Å; F48-Y66 AromaticContact CZ-CG 3.98Å; F48-Y66 HydrophobicContact CZ-CG 3.98Å; F48-Y66 AromaticContact CZ-CZ 3.6Å; H64-Y66 HydrophobicContact CB-CD2 4.46Å; H64-Y66 HydrophobicContact CB-CE2 3.99Å; H64-Y66 PolarHBondContact O-N 2.95Å
67	P	92.6	Very high	79.2	Confident	14 Å²	14	87.4 Å²	87.4	9%	0.091	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-65.9	150.4	172.5	30.8	-35	0	0	0	109.9	L97 W183 V203	P67-L97 HydrophobicContact CB-CD2 3.59Å; P67-L97 HydrophobicContact CG-CD2 3.62Å; P67-W183 HydrophobicContact CB-CZ2 4.1Å; P67-W183 HydrophobicContact CG-CH2 4.3Å; P67-W183 HydrophobicContact CG-CZ2 3.98Å; P67-W183 VanDerWaalsContact O-CH2 3.24Å; P67-W183 WeakPolarHBondContact O-CH2 3.46Å; P67-V203 HydrophobicContact CG-CB 4.48Å; P67-V203 HydrophobicContact CG-CG1 4.06Å
68	S	89.9	Confident	76.8	Confident	39 Å²	39	92 Å²	92	27%	0.273	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-97.5	152.6	164.6	104.3	0	0	0	0	110.7	Y70 D71 W183	S68-Y70 PolarHBondContact O-N 2.67Å; S68-Y70 VanDerWaalsContact O-N 3.09Å; S68-Y70 PolarHBondContact OG-N 3.46Å; S68-Y70 VanDerWaalsContact OG-N 3.11Å; S68-D71 VanDerWaalsContact CB-OD1 3.25Å; S68-D71 WeakPolarHBondContact CB-OD1 3.49Å; S68-D71 WeakPolarHBondContact CB-OD2 3.33Å; S68-D71 PolarHBondContact N-OD2 2.96Å; S68-D71 PolarHBondContact O-N 2.76Å; S68-D71 PolarHBondContact OG-N 3.14Å; S68-D71 PolarHBondContact OG-OD1 3.11Å; S68-W183 VanDerWaalsContact C-CZ2 3.43Å
69	R	88.5	Confident	74.8	Confident	87 Å²	87	89.8 Å²	89.8	33%	0.328	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.2	175.4	-169.8	169.8	178	137.2	11.2	113.1	W183 D184 E187	R69-W183 HydrophobicContact CB-CD2 3.94Å; R69-W183 HydrophobicContact CB-CE3 4.2Å; R69-W183 HydrophobicContact CB-CG 4.38Å; R69-W183 HydrophobicContact CB-CZ2 4.27Å; R69-W183 HydrophobicContact CB-CZ3 4.49Å; R69-W183 HydrophobicContact CG-CB 4.38Å; R69-W183 HydrophobicContact CG-CD2 4.03Å; R69-W183 HydrophobicContact CG-CG 3.94Å; R69-D184 IonicContact CZ-OD1 2.63Å; R69-D184 IonicContact NH1-OD1 3.15Å; R69-D184 PolarHBondContact NH1-OD1 2.99Å; R69-D184 IonicContact NH2-OD1 3.72Å; R69-D184 PolarHBondContact NH2-OD1 2.99Å; R69-E187 IonicContact CZ-OE1 2.74Å; R69-E187 IonicContact NH1-OE1 3.2Å; R69-E187 PolarHBondContact NH1-OE1 3.32Å; R69-E187 IonicContact NH1-OE2 3.42Å; R69-E187 PolarHBondContact NH1-OE2 3.02Å
70	Y	78.9	Confident	72.5	Confident	176 Å²	176	87.2 Å²	87.2	69%	0.69	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-22.4	179.5	-54.8	-71.9	0	0	0	113.3	S68 D72 I73	S68-Y70 PolarHBondContact O-N 2.67Å; S68-Y70 VanDerWaalsContact O-N 3.09Å; S68-Y70 PolarHBondContact OG-N 3.46Å; S68-Y70 VanDerWaalsContact OG-N 3.11Å; Y70-D72 VanDerWaalsContact C-N 3.26Å; Y70-D72 PolarHBondContact O-N 2.89Å; Y70-I73 HydrophobicContact CD1-CD1 4.25Å; Y70-I73 WeakPolarHBondContact O-CB 3.35Å; Y70-I73 PolarHBondContact O-N 3.44Å
71	D	68.5	Low	70.1	Confident	64 Å²	64	93.7 Å²	93.7	34%	0.342	48%	0.477	S	S	.	.	H	α-helix	trans	-60.2	-41.4	-179	-60.7	-8.9	0	0	0	110.7	S68 I73 I74 E75	S68-D71 VanDerWaalsContact CB-OD1 3.25Å; S68-D71 WeakPolarHBondContact CB-OD1 3.49Å; S68-D71 WeakPolarHBondContact CB-OD2 3.33Å; S68-D71 PolarHBondContact N-OD2 2.96Å; S68-D71 PolarHBondContact O-N 2.76Å; S68-D71 PolarHBondContact OG-N 3.14Å; S68-D71 PolarHBondContact OG-OD1 3.11Å; D71-I73 PolarHBondContact O-N 3.03Å; D71-I74 PolarHBondContact O-N 2.81Å; D71-I74 VanDerWaalsContact O-N 3.09Å; D71-E75 PolarHBondContact O-N 3.13Å
72	D	58.7	Low	68	Low	24 Å²	24	94.4 Å²	94.4	13%	0.128	47%	0.472	C	S	.	.	H	α-helix	trans	-67.3	-18.4	-176	-49.2	-29.8	0	0	0	112.9	Y70 S76 L97 W183 R205	Y70-D72 VanDerWaalsContact C-N 3.26Å; Y70-D72 PolarHBondContact O-N 2.89Å; D72-S76 PolarHBondContact O-OG 2.9Å; D72-S76 VanDerWaalsContact O-OG 3.13Å; D72-L97 HydrophobicContact CB-CD1 4.38Å; D72-L97 WeakPolarHBondContact OD1-CD1 3.37Å; D72-L97 WeakPolarHBondContact OD2-CD1 3.49Å; D72-W183 PolarHBondContact OD2-NE1 3.09Å; D72-R205 IonicContact OD1-CZ 3.43Å; D72-R205 IonicContact OD1-NH2 2.91Å; D72-R205 PolarHBondContact OD1-NH2 3.31Å
73	I	54.2	Low	65.8	Low	84 Å²	84	98.4 Å²	98.4	43%	0.431	50%	0.495	S	S	.	.	H	α-helix	trans	-73.8	-37.8	175.2	-55.3	178.1	0	0	0	109.8	Y70 D71 S76 F77	Y70-I73 HydrophobicContact CD1-CD1 4.25Å; Y70-I73 WeakPolarHBondContact O-CB 3.35Å; Y70-I73 PolarHBondContact O-N 3.44Å; D71-I73 PolarHBondContact O-N 3.03Å; I73-S76 PolarHBondContact O-N 3.43Å; I73-S76 PolarHBondContact O-OG 2.91Å; I73-F77 HydrophobicContact CG2-CD2 4.18Å; I73-F77 HydrophobicContact CG2-CE2 3.79Å; I73-F77 VanDerWaalsContact O-CD2 3.23Å; I73-F77 WeakPolarHBondContact O-CD2 3.38Å
74	I	50.3	Low	63.6	Low	109 Å²	109	102.1 Å²	102.1	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-75.2	-38.1	-174.9	-58.1	176.6	0	0	0	111	D71 S76 F77 N78	D71-I74 PolarHBondContact O-N 2.81Å; D71-I74 VanDerWaalsContact O-N 3.09Å; I74-S76 PolarHBondContact O-N 2.88Å; I74-F77 PolarHBondContact O-N 2.7Å; I74-N78 PolarHBondContact O-N 2.81Å; I74-N78 PolarHBondContact O-ND2 3.06Å
75	E	49.7	Very low	61.4	Low	96 Å²	96	105.9 Å²	105.9	45%	0.449	54%	0.54	S	S	.	.	H	α-helix	trans	-61.4	-27.6	176.5	-69.6	-177.3	163.3	0	0	113	D71 R205	D71-E75 PolarHBondContact O-N 3.13Å; E75-R205 IonicContact OE1-CZ 3.14Å; E75-R205 IonicContact OE1-NH1 2.7Å; E75-R205 PolarHBondContact OE1-NH1 3.47Å; E75-R205 IonicContact OE1-NH2 2.9Å; E75-R205 IonicContact OE2-CZ 3.63Å; E75-R205 VanDerWaalsContact OE2-CZ 3.23Å; E75-R205 IonicContact OE2-NH1 3.22Å; E75-R205 PolarHBondContact OE2-NH1 2.87Å; E75-R205 IonicContact OE2-NH2 2.88Å; E75-R205 PolarHBondContact OE2-NH2 3.4Å
76	S	48.2	Very low	58.9	Low	76 Å²	76	105.1 Å²	105.1	53%	0.531	56%	0.561	S	S	.	*	H	α-helix	trans	-85.5	-20.6	-178.6	42.4	0	0	0	0	114.7	D72 I73 I74	D72-S76 PolarHBondContact O-OG 2.9Å; D72-S76 VanDerWaalsContact O-OG 3.13Å; I73-S76 PolarHBondContact O-N 3.43Å; I73-S76 PolarHBondContact O-OG 2.91Å; I74-S76 PolarHBondContact O-N 2.88Å
77	F	45.4	Very low	56.7	Low	148 Å²	148	101.6 Å²	101.6	65%	0.649	56%	0.562	S	S	*	*	H	α-helix	trans	-81.5	-33.9	173.3	-77.8	-71.9	0	0	0	113.2	I73 I74 I79 A80	I73-F77 HydrophobicContact CG2-CD2 4.18Å; I73-F77 HydrophobicContact CG2-CE2 3.79Å; I73-F77 VanDerWaalsContact O-CD2 3.23Å; I73-F77 WeakPolarHBondContact O-CD2 3.38Å; I74-F77 PolarHBondContact O-N 2.7Å; F77-I79 PolarHBondContact O-N 3.31Å; F77-I79 VanDerWaalsContact O-N 3.13Å; F77-A80 PolarHBondContact O-N 2.69Å
78	N	42.5	Very low	54.5	Low	127 Å²	127	108.6 Å²	108.6	68%	0.679	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-4.8	-175.9	-68.4	-27.5	0	0	0	114.9	I74	I74-N78 PolarHBondContact O-N 2.81Å; I74-N78 PolarHBondContact O-ND2 3.06Å
79	I	50.2	Low	52.8	Low	143 Å²	143	114 Å²	114	73%	0.733	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-13.2	178.6	-62	171.5	0	0	0	111.6	F77	F77-I79 PolarHBondContact O-N 3.31Å; F77-I79 VanDerWaalsContact O-N 3.13Å
80	A	45.9	Very low	51	Low	75 Å²	75	117.7 Å²	117.7	62%	0.62	65%	0.645	S	S	*	*	S	Bend	trans	-90.5	-12.3	-166.9	0	0	0	0	0	115.8	F77	F77-A80 PolarHBondContact O-N 2.69Å
81	D	46.8	Very low	49.9	Very low	160 Å²	160	114.3 Å²	114.3	86%	0.856	65%	0.645	S	S	*	*	S	Bend	trans	-129.4	13.9	-163.5	-145.6	26.1	0	0	0	115.2
82	D	49.3	Very low	49.6	Very low	121 Å²	121	118 Å²	118	65%	0.647	66%	0.663	S	S	*	*			trans	-125.5	67.3	170.9	-161.4	35.1	0	0	0	111.2
83	Q	49	Very low	50.4	Low	185 Å²	185	121.9 Å²	121.9	86%	0.864	68%	0.684	S	S	*	*			trans	-83.3	114.4	160.3	-70.1	-176.4	27.6	0	0	108.4
84	D	47	Very low	51.7	Low	157 Å²	157	120.2 Å²	120.2	84%	0.84	68%	0.676	S	S	*	*			trans	116.2	41.9	167.3	-151.1	27.4	0	0	0	117.7
85	V	50.2	Low	53.6	Low	108 Å²	108	116.3 Å²	116.3	66%	0.655	66%	0.658	S	S	*	*			trans	-124.5	80.9	153.8	-168.6	0	0	0	0	111.2	G87	V85-G87 VanDerWaalsContact C-N 3.26Å; V85-G87 PolarHBondContact O-N 2.81Å
86	G	39.2	Very low	55.5	Low	91 Å²	91	112.8 Å²	112.8	94%	0.938	64%	0.644	S	S	*	*			trans	-71.1	75.4	168.8	0	0	0	0	0	112.4
87	G	44.6	Very low	57.7	Low	49 Å²	49	110 Å²	110	51%	0.505	62%	0.622	S	S	.	*			trans	-116.1	136.7	-177.1	0	0	0	0	0	113.9	V85	V85-G87 VanDerWaalsContact C-N 3.26Å; V85-G87 PolarHBondContact O-N 2.81Å
88	L	46.9	Very low	60.2	Low	162 Å²	162	102.9 Å²	102.9	85%	0.848	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48	141.3	-176.2	-68.8	139.9	0	0	0	116.3	E90	L88-E90 PolarHBondContact O-N 3.1Å
89	D	53.7	Low	62.8	Low	151 Å²	151	96.9 Å²	96.9	81%	0.807	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.5	25.9	156.2	-58.3	-30.4	0	0	0	119.7	P91	D89-P91 WeakPolarHBondContact O-CD 3.35Å
90	E	51.9	Low	65.1	Low	166 Å²	166	90.3 Å²	90.3	78%	0.776	53%	0.526	S	S	*	.			trans	-61.6	122.9	165.6	-81.1	-57.8	129.2	0	0	111.4	L88 I92	L88-E90 PolarHBondContact O-N 3.1Å; E90-I92 PolarHBondContact O-N 2.89Å; E90-I92 VanDerWaalsContact O-N 3.14Å
91	P	55.7	Low	67.6	Low	105 Å²	105	86.8 Å²	86.8	68%	0.682	50%	0.496	S	S	*	.			trans	-73.4	111.5	-174.7	28.8	-33.5	0	0	0	110.2	D89 D93	D89-P91 WeakPolarHBondContact O-CD 3.35Å; P91-D93 PolarHBondContact O-N 2.93Å
92	I	61.9	Low	69.9	Low	141 Å²	141	82.1 Å²	82.1	72%	0.723	47%	0.471	S	S	*	.			trans	-46.9	109.6	174.9	-57.1	172.7	0	0	0	109.3	E90 N94	E90-I92 PolarHBondContact O-N 2.89Å; E90-I92 VanDerWaalsContact O-N 3.14Å; I92-N94 PolarHBondContact O-N 2.96Å; I92-N94 VanDerWaalsContact O-N 3.15Å; I92-N94 PolarHBondContact O-ND2 2.92Å
93	D	74.8	Confident	72.1	Confident	106 Å²	106	79.9 Å²	79.9	57%	0.567	46%	0.456	S	S	*	.			trans	-68.7	118.6	173.3	-174.4	25.4	0	0	0	108.4	P91 S95	P91-D93 PolarHBondContact O-N 2.93Å; D93-S95 VanDerWaalsContact OD1-CB 3.26Å; D93-S95 WeakPolarHBondContact OD1-CB 3.3Å; D93-S95 PolarHBondContact OD1-N 3.35Å; D93-S95 VanDerWaalsContact OD2-CB 3.23Å; D93-S95 WeakPolarHBondContact OD2-CB 3.12Å; D93-S95 PolarHBondContact OD2-OG 3.07Å
94	N	83	Confident	74.4	Confident	49 Å²	49	71.9 Å²	71.9	26%	0.262	42%	0.418	S	S	.	.			trans	-100.7	12.8	176.4	-71.4	-97.3	0	0	0	110.7	I92 C96 G209 H253	I92-N94 PolarHBondContact O-N 2.96Å; I92-N94 VanDerWaalsContact O-N 3.15Å; I92-N94 PolarHBondContact O-ND2 2.92Å; N94-C96 PolarHBondContact O-N 3.16Å; N94-G209 WeakPolarHBondContact O-CA 3.37Å; N94-G209 PolarHBondContact O-N 2.87Å; N94-H253 PolarHBondContact ND2-ND1 2.72Å; N94-H253 VanDerWaalsContact OD1-CB 3.25Å; N94-H253 WeakPolarHBondContact OD1-CB 3.15Å; N94-H253 PolarHBondContact OD1-ND1 3.43Å
95	S	88.5	Confident	76.8	Confident	27 Å²	27	64.9 Å²	64.9	19%	0.189	38%	0.38	C	S	.	.			trans	-62.5	137.3	178.9	84.6	0	0	0	0	111.2	D93 R205 L206	D93-S95 VanDerWaalsContact OD1-CB 3.26Å; D93-S95 WeakPolarHBondContact OD1-CB 3.3Å; D93-S95 PolarHBondContact OD1-N 3.35Å; D93-S95 VanDerWaalsContact OD2-CB 3.23Å; D93-S95 WeakPolarHBondContact OD2-CB 3.12Å; D93-S95 PolarHBondContact OD2-OG 3.07Å; S95-R205 PolarHBondContact OG-NH1 3.48Å; S95-L206 VanDerWaalsContact CA-O 3.3Å; S95-L206 WeakPolarHBondContact CA-O 3.47Å
96	C	91.2	Very high	78.8	Confident	22 Å²	22	62.7 Å²	62.7	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145	174.9	63.8	0	0	0	0	110.7	N94 R205 L206	N94-C96 PolarHBondContact O-N 3.16Å; C96-R205 CarbonylContact O-C 3.46Å; C96-R205 WeakPolarHBondContact O-CA 3.47Å; C96-L206 PolarHBondContact N-O 3.16Å; C96-L206 PolarHBondContact O-N 2.97Å
97	L	94.6	Very high	81.3	Confident	16 Å²	16	58.9 Å²	58.9	8%	0.084	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.5	177	-73.3	156.1	0	0	0	109.4	P67 D72 P179 V203 R205	P67-L97 HydrophobicContact CB-CD2 3.59Å; P67-L97 HydrophobicContact CG-CD2 3.62Å; D72-L97 HydrophobicContact CB-CD1 4.38Å; D72-L97 WeakPolarHBondContact OD1-CD1 3.37Å; D72-L97 WeakPolarHBondContact OD2-CD1 3.49Å; L97-P179 HydrophobicContact CB-CB 4.18Å; L97-P179 HydrophobicContact CB-CG 4.33Å; L97-P179 HydrophobicContact CD1-CB 3.67Å; L97-P179 HydrophobicContact CD1-CG 3.74Å; L97-V203 HydrophobicContact CD2-CG1 4.14Å; L97-R205 HydrophobicContact CD2-CB 3.74Å; L97-R205 HydrophobicContact CD2-CG 4.06Å; L97-R205 HydrophobicContact CG-CB 4.49Å; L97-R205 HydrophobicContact CG-CG 4.32Å
98	V	96.4	Very high	83.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.3	-173.6	-58	0	0	0	0	110.3	Y172 V173 E174 V204 L206 W210	V98-Y172 HydrophobicContact CG2-CD1 3.91Å; V98-V173 CarbonylContact C-O 2.95Å; V98-V173 VanDerWaalsContact CA-O 3.25Å; V98-V173 WeakPolarHBondContact CA-O 3.5Å; V98-V173 WeakPolarHBondContact CB-O 3.29Å; V98-E174 HydrophobicContact CG1-CB 4Å; V98-E174 HydrophobicContact CG1-CG 4.49Å; V98-V204 HydrophobicContact CG2-CG2 3.61Å; V98-V204 PolarHBondContact N-O 3.47Å; V98-V204 PolarHBondContact O-N 3.14Å; V98-L206 HydrophobicContact CG1-CD1 4.2Å; V98-L206 HydrophobicContact CG2-CD1 4.08Å; V98-L206 HydrophobicContact CG2-CD2 4.34Å; V98-L206 HydrophobicContact CG2-CG 3.89Å; V98-W210 HydrophobicContact CG1-CH2 4.38Å; V98-W210 HydrophobicContact CG1-CZ2 3.77Å
99	L	97.8	Very high	85.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	125.5	164.5	167	67.2	0	0	0	108.1	I101 L147 Y172 V173 F175 A182 A185 A186 C201	L99-I101 HydrophobicContact CD1-CG1 4.21Å; L99-I101 HydrophobicContact CD2-CD1 4.04Å; L99-I101 HydrophobicContact CD2-CG1 4.07Å; L99-I101 HydrophobicContact CG-CD1 4.45Å; L99-I101 HydrophobicContact CG-CG1 3.93Å; L99-L147 HydrophobicContact CD2-CD2 4.35Å; L99-Y172 CarbonylContact O-C 3.55Å; L99-Y172 VanDerWaalsContact O-CA 3.3Å; L99-Y172 WeakPolarHBondContact O-CA 3.44Å; L99-V173 HydrophobicContact CB-CB 4.26Å; L99-V173 PolarHBondContact N-O 3.26Å; L99-V173 PolarHBondContact O-N 2.93Å; L99-F175 HydrophobicContact CB-CE2 4.01Å; L99-F175 HydrophobicContact CD2-CE2 4.04Å; L99-F175 HydrophobicContact CD2-CZ 4.09Å; L99-A182 HydrophobicContact CB-CB 4.37Å; L99-A185 HydrophobicContact CD2-CB 3.8Å; L99-A186 HydrophobicContact CD1-CB 3.79Å; L99-C201 HydrophobicContact CD1-CB 3.98Å
100	Q	98.2	Very high	86.8	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.028	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.9	171.4	-179.1	-169.2	55.9	0	0	108.7	G52 L102 V171 Y172 C201 T202 V204	G52-Q100 PolarHBondContact O-NE2 3.11Å; Q100-L102 HydrophobicContact CG-CD2 3.85Å; Q100-L102 HydrophobicContact CG-CG 4.49Å; Q100-V171 CarbonylContact C-O 3.56Å; Q100-V171 WeakPolarHBondContact CA-O 3.3Å; Q100-Y172 HydrophobicContact CB-CD1 4.23Å; Q100-Y172 HydrophobicContact CB-CE1 4.18Å; Q100-Y172 HydrophobicContact CG-CD1 4.22Å; Q100-Y172 HydrophobicContact CG-CE1 3.77Å; Q100-Y172 PolarHBondContact NE2-OH 3.25Å; Q100-C201 WeakPolarHBondContact O-CA 3.3Å; Q100-T202 WeakPolarHBondContact CB-O 3.11Å; Q100-T202 PolarHBondContact N-O 2.91Å; Q100-T202 PolarHBondContact O-N 2.58Å; Q100-T202 PolarHBondContact OE1-OG1 3.16Å; Q100-V204 HydrophobicContact CB-CG1 4.29Å; Q100-V204 HydrophobicContact CB-CG2 3.88Å
101	I	98	Very high	88.2	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	109.5	172.5	-46	178.8	0	0	0	107.6	L99 M104 S170 V171 L199	L99-I101 HydrophobicContact CD1-CG1 4.21Å; L99-I101 HydrophobicContact CD2-CD1 4.04Å; L99-I101 HydrophobicContact CD2-CG1 4.07Å; L99-I101 HydrophobicContact CG-CD1 4.45Å; L99-I101 HydrophobicContact CG-CG1 3.93Å; I101-M104 HydrophobicContact CB-CB 4.24Å; I101-M104 HydrophobicContact CB-SD 4.14Å; I101-M104 HydrophobicContact CD1-CE 4.48Å; I101-M104 HydrophobicContact CD1-SD 3.69Å; I101-M104 HydrophobicContact CG2-CB 3.8Å; I101-M104 HydrophobicContact CG2-CG 3.98Å; I101-M104 HydrophobicContact CG2-SD 3.85Å; I101-S170 CarbonylContact O-C 3.59Å; I101-S170 VanDerWaalsContact O-CA 3.29Å; I101-S170 WeakPolarHBondContact O-CA 3.2Å; I101-V171 HydrophobicContact CB-CB 4.44Å; I101-V171 PolarHBondContact N-O 3.11Å; I101-V171 PolarHBondContact O-N 3.47Å; I101-L199 HydrophobicContact CG2-CB 4.47Å; I101-L199 HydrophobicContact CG2-CD2 3.99Å
102	L	96.7	Very high	88.6	Confident	61 Å²	61	42.5 Å²	42.5	32%	0.319	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.8	-172.2	-65	176.6	0	0	0	111.6	Q100 M104 T200	Q100-L102 HydrophobicContact CG-CD2 3.85Å; Q100-L102 HydrophobicContact CG-CG 4.49Å; L102-M104 PolarHBondContact O-N 3.01Å; L102-T200 HydrophobicContact CD1-CG2 4.03Å; L102-T200 PolarHBondContact N-O 3.06Å
103	K	94.8	Very high	88.4	Confident	75 Å²	75	38.2 Å²	38.2	33%	0.326	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	39.8	173.9	-57	178.9	173.4	-177.5	0	113.8	N165 R168 G169 S170	K103-N165 WeakPolarHBondContact CE-O 3.36Å; K103-N165 PolarHBondContact NZ-OD1 3.05Å; K103-R168 WeakPolarHBondContact CG-O 3.39Å; K103-G169 CarbonylContact C-O 3.54Å; K103-S170 PolarHBondContact N-OG 3.3Å
104	M	96.9	Very high	87.3	Confident	17 Å²	17	39.5 Å²	39.5	8%	0.084	20%	0.197	C	C	.	.			trans	-74.4	-44.6	-179.8	-167.1	-175.3	-175.4	0	0	111.7	I101 L102 F139 V143 G169 V171 F194 L199	I101-M104 HydrophobicContact CB-CB 4.24Å; I101-M104 HydrophobicContact CB-SD 4.14Å; I101-M104 HydrophobicContact CD1-CE 4.48Å; I101-M104 HydrophobicContact CD1-SD 3.69Å; I101-M104 HydrophobicContact CG2-CB 3.8Å; I101-M104 HydrophobicContact CG2-CG 3.98Å; I101-M104 HydrophobicContact CG2-SD 3.85Å; L102-M104 PolarHBondContact O-N 3.01Å; M104-F139 HydrophobicContact CB-CZ 4.21Å; M104-F139 HydrophobicContact CG-CE2 3.96Å; M104-F139 HydrophobicContact CG-CZ 3.93Å; M104-F139 HydrophobicContact SD-CE2 4.36Å; M104-F139 HydrophobicContact SD-CZ 4.05Å; M104-V143 HydrophobicContact CE-CB 4.32Å; M104-V143 HydrophobicContact CE-CG1 3.91Å; M104-V143 HydrophobicContact CE-CG2 3.44Å; M104-V143 VanDerWaalsContact CE-CG2 3.44Å; M104-V143 HydrophobicContact SD-CG1 3.96Å; M104-V143 HydrophobicContact SD-CG2 4.07Å; M104-G169 PolarHBondContact N-O 2.96Å; M104-V171 HydrophobicContact CB-CG2 3.96Å; M104-V171 HydrophobicContact SD-CG2 4.17Å; M104-F194 HydrophobicContact CE-CD1 4.37Å; M104-F194 HydrophobicContact CE-CD2 4.02Å; M104-F194 HydrophobicContact CE-CE2 4.28Å; M104-F194 HydrophobicContact CE-CG 4.07Å; M104-F194 HydrophobicContact CG-CD1 4.29Å; M104-L199 HydrophobicContact CE-CD1 4.38Å; M104-L199 HydrophobicContact CE-CD2 4.29Å; M104-L199 HydrophobicContact CG-CD2 3.87Å
105	F	96.8	Very high	85.5	Confident	9 Å²	9	41.5 Å²	41.5	4%	0.039	21%	0.207	C	C	.	.	S	Bend	trans	-82.8	124	172	-175.2	-120.9	0	0	0	109.9	H107 L110 L132 Y136 F139 T159 G169 F236	F105-H107 HydrophobicContact CE1-CB 4.11Å; F105-H107 HydrophobicContact CZ-CB 4Å; F105-L110 HydrophobicContact CD1-CD1 3.58Å; F105-L110 HydrophobicContact CE1-CD1 3.74Å; F105-L132 HydrophobicContact CE1-CD1 4.09Å; F105-L132 HydrophobicContact CZ-CD1 4.29Å; F105-Y136 HydrophobicContact CD1-CD2 4.39Å; F105-Y136 HydrophobicContact CE1-CD2 4.22Å; F105-Y136 HydrophobicContact CE2-CD2 4.45Å; F105-Y136 HydrophobicContact CZ-CD2 4.25Å; F105-Y136 HydrophobicContact CZ-CG 4.48Å; F105-F139 HydrophobicContact CB-CD1 4.11Å; F105-F139 HydrophobicContact CB-CD2 4.43Å; F105-F139 HydrophobicContact CB-CE1 3.72Å; F105-F139 HydrophobicContact CB-CE2 4.04Å; F105-F139 HydrophobicContact CB-CG 4.45Å; F105-F139 HydrophobicContact CB-CZ 3.67Å; F105-F139 HydrophobicContact CD2-CB 3.78Å; F105-F139 AromaticContact CD2-CD1 3.61Å; F105-F139 HydrophobicContact CD2-CD1 3.61Å; F105-F139 AromaticContact CD2-CD2 3.72Å; F105-F139 HydrophobicContact CD2-CD2 3.72Å; F105-F139 HydrophobicContact CD2-CE1 4.12Å; F105-F139 HydrophobicContact CD2-CE2 4.18Å; F105-F139 AromaticContact CD2-CG 3.39Å; F105-F139 HydrophobicContact CD2-CG 3.39Å; F105-F139 HydrophobicContact CD2-CZ 4.37Å; F105-F139 HydrophobicContact CE2-CB 3.86Å; F105-F139 HydrophobicContact CE2-CD1 4.35Å; F105-F139 HydrophobicContact CE2-CG 4.01Å; F105-F139 HydrophobicContact CG-CD1 4.08Å; F105-F139 HydrophobicContact CG-CE1 4.2Å; F105-F139 HydrophobicContact CG-CG 4.27Å; F105-F139 HydrophobicContact CG-CZ 4.46Å; F105-T159 HydrophobicContact CB-CG2 3.64Å; F105-T159 HydrophobicContact CD1-CG2 4.2Å; F105-T159 HydrophobicContact CG-CG2 4.13Å; F105-G169 PolarHBondContact N-O 3.26Å; F105-G169 WeakPolarHBondContact O-CA 3.22Å; F105-F236 AromaticContact CD1-CE2 3.84Å; F105-F236 HydrophobicContact CD1-CE2 3.84Å; F105-F236 HydrophobicContact CD1-CZ 4.1Å; F105-F236 HydrophobicContact CE1-CE1 4.39Å; F105-F236 AromaticContact CE1-CE2 3.84Å; F105-F236 HydrophobicContact CE1-CE2 3.84Å; F105-F236 AromaticContact CE1-CZ 3.61Å; F105-F236 HydrophobicContact CE1-CZ 3.61Å
106	T	93.6	Very high	83.6	Confident	62 Å²	62	46 Å²	46	38%	0.38	23%	0.234	S	C	.	.			trans	-131.7	122.6	178.1	57.4	0	0	0	0	109.5
107	H	92.1	Very high	81.5	Confident	12 Å²	12	50.1 Å²	50.1	6%	0.056	26%	0.262	C	S	.	.			trans	-136.3	147.7	176.6	-169.4	-103.4	0	0	0	108.6	F105 H109 L110 D111 L132 D135	F105-H107 HydrophobicContact CE1-CB 4.11Å; F105-H107 HydrophobicContact CZ-CB 4Å; H107-H109 AromaticContact CE1-CD2 3.16Å; H107-H109 PolarHBondContact CE1-CD2 3.49Å; H107-H109 AromaticContact CE1-CG 3.71Å; H107-H109 AromaticContact CE1-NE2 3.87Å; H107-H109 WeakPolarHBondContact ND1-CB 3.14Å; H107-H109 AromaticContact ND1-CD2 3.34Å; H107-H109 PolarHBondContact ND1-CD2 3.48Å; H107-H109 VanDerWaalsContact ND1-CD2 3.34Å; H107-H109 AromaticContact ND1-CG 3.54Å; H107-H109 PolarHBondContact ND1-N 3Å; H107-H109 PolarHBondContact O-N 2.73Å; H107-L110 HydrophobicContact CB-CG 4.37Å; H107-L110 WeakPolarHBondContact O-CB 3.13Å; H107-L110 PolarHBondContact O-N 2.82Å; H107-D111 PolarHBondContact O-N 3.24Å; H107-L132 HydrophobicContact CB-CD1 3.84Å; H107-L132 VanDerWaalsContact CE1-CA 3.48Å; H107-L132 WeakPolarHBondContact CE1-CA 3.41Å; H107-L132 VanDerWaalsContact ND1-CD1 3.3Å; H107-L132 WeakPolarHBondContact ND1-CD1 3.05Å; H107-D135 IonicContact CD2-OD2 2.8Å; H107-D135 PolarHBondContact CD2-OD2 3.06Å; H107-D135 IonicContact NE2-OD2 2.72Å; H107-D135 PolarHBondContact NE2-OD2 3.15Å
108	Y	87.3	Confident	79.1	Confident	144 Å²	144	52.1 Å²	52.1	57%	0.565	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-59.1	-34.2	-176.3	62.4	-78	0	0	0	112.1	L110 D111	Y108-L110 VanDerWaalsContact C-N 3.27Å; Y108-L110 PolarHBondContact O-N 2.78Å; Y108-D111 PolarHBondContact O-N 2.85Å; Y108-D111 VanDerWaalsContact O-N 3.11Å
109	H	85.1	Confident	76.8	Confident	21 Å²	21	61 Å²	61	10%	0.097	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-59.9	-32.7	173.1	-70.7	-137.7	0	0	0	113.9	H107 D111 L112 V127 D128 E129 L132	H107-H109 AromaticContact CE1-CD2 3.16Å; H107-H109 PolarHBondContact CE1-CD2 3.49Å; H107-H109 AromaticContact CE1-CG 3.71Å; H107-H109 AromaticContact CE1-NE2 3.87Å; H107-H109 WeakPolarHBondContact ND1-CB 3.14Å; H107-H109 AromaticContact ND1-CD2 3.34Å; H107-H109 PolarHBondContact ND1-CD2 3.48Å; H107-H109 VanDerWaalsContact ND1-CD2 3.34Å; H107-H109 AromaticContact ND1-CG 3.54Å; H107-H109 PolarHBondContact ND1-N 3Å; H107-H109 PolarHBondContact O-N 2.73Å; H109-D111 VanDerWaalsContact C-N 3.31Å; H109-L112 WeakPolarHBondContact O-CD1 3.27Å; H109-V127 WeakPolarHBondContact CE1-CG1 3.34Å; H109-V127 PolarHBondContact CE1-O 3Å; H109-V127 WeakPolarHBondContact ND1-CG1 3.23Å; H109-D128 WeakPolarHBondContact CE1-CA 3.5Å; H109-D128 PolarHBondContact CE1-N 3.25Å; H109-D128 PolarHBondContact CE1-O 3.39Å; H109-E129 PolarHBondContact CE1-N 3.32Å; H109-L132 HydrophobicContact CB-CD1 4.33Å; H109-L132 HydrophobicContact CB-CD2 4.12Å
110	L	87.9	Confident	74.5	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.021	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-79.4	-19.3	179.9	-62.8	-177.9	0	0	0	112.1	F105 H107 Y108 L132 R161 L163 R168 F236	F105-L110 HydrophobicContact CD1-CD1 3.58Å; F105-L110 HydrophobicContact CE1-CD1 3.74Å; H107-L110 HydrophobicContact CB-CG 4.37Å; H107-L110 WeakPolarHBondContact O-CB 3.13Å; H107-L110 PolarHBondContact O-N 2.82Å; Y108-L110 VanDerWaalsContact C-N 3.27Å; Y108-L110 PolarHBondContact O-N 2.78Å; L110-L132 HydrophobicContact CG-CD1 4.48Å; L110-R161 HydrophobicContact CD2-CG 4.22Å; L110-R161 WeakPolarHBondContact CD2-O 3.47Å; L110-L163 HydrophobicContact CB-CD2 4.46Å; L110-L163 HydrophobicContact CD2-CD2 4.14Å; L110-L163 WeakPolarHBondContact O-CD2 3.28Å; L110-R168 HydrophobicContact CB-CG 4.02Å; L110-R168 WeakPolarHBondContact O-CD 3.35Å; L110-R168 PolarHBondContact O-NE 2.63Å; L110-R168 PolarHBondContact O-NH1 3.19Å; L110-F236 HydrophobicContact CD1-CE2 4.37Å; L110-F236 HydrophobicContact CD1-CZ 4.27Å; L110-F236 HydrophobicContact CD2-CZ 4.41Å
111	D	80	Confident	72.4	Confident	44 Å²	44	74.5 Å²	74.5	24%	0.235	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-93.3	3.1	-177	-103.3	18.5	0	0	0	114.4	H107 Y108 H109 T113 K114 R168	H107-D111 PolarHBondContact O-N 3.24Å; Y108-D111 PolarHBondContact O-N 2.85Å; Y108-D111 VanDerWaalsContact O-N 3.11Å; H109-D111 VanDerWaalsContact C-N 3.31Å; D111-T113 PolarHBondContact O-N 3.41Å; D111-K114 PolarHBondContact O-N 2.59Å; D111-K114 IonicContact OD2-NZ 2.65Å; D111-K114 PolarHBondContact OD2-NZ 3.29Å; D111-R168 IonicContact OD1-CZ 3.54Å; D111-R168 IonicContact OD1-NH1 3.57Å; D111-R168 PolarHBondContact OD1-NH1 2.79Å
112	L	65.7	Low	70.2	Confident	75 Å²	75	81.7 Å²	81.7	39%	0.393	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-50.9	-18.5	-176.8	-110.2	83.9	0	0	0	116.1	H109 K114 N115	H109-L112 WeakPolarHBondContact O-CD1 3.27Å; L112-K114 PolarHBondContact O-N 3.32Å; L112-N115 PolarHBondContact O-N 2.94Å
113	T	57.5	Low	68	Low	51 Å²	51	82.3 Å²	82.3	31%	0.313	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-61	-10.7	172.2	62.5	0	0	0	0	114.2	D111 R168 L228	D111-T113 PolarHBondContact O-N 3.41Å; T113-R168 PolarHBondContact OG1-NH1 3.24Å; T113-R168 PolarHBondContact OG1-NH2 2.97Å; T113-L228 HydrophobicContact CG2-CD1 3.43Å; T113-L228 VanDerWaalsContact CG2-CD1 3.43Å
114	K	51.8	Low	65.7	Low	134 Å²	134	82.1 Å²	82.1	58%	0.583	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-84.3	-23.2	172.2	-70	172.4	177.6	161.5	0	113.2	D111 L112 S117	D111-K114 PolarHBondContact O-N 2.59Å; D111-K114 IonicContact OD2-NZ 2.65Å; D111-K114 PolarHBondContact OD2-NZ 3.29Å; L112-K114 PolarHBondContact O-N 3.32Å; K114-S117 PolarHBondContact O-OG 2.95Å
115	N	45.7	Very low	63.7	Low	91 Å²	91	88.3 Å²	88.3	49%	0.487	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-8.9	-170.3	-69.4	31.6	0	0	0	113.4	L112 S117	L112-N115 PolarHBondContact O-N 2.94Å; N115-S117 PolarHBondContact O-N 3.03Å
116	T	48.6	Very low	61.6	Low	122 Å²	122	97.1 Å²	97.1	75%	0.748	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	11.9	177.8	61.1	0	0	0	0	113.9
117	S	46	Very low	59.9	Low	107 Å²	107	98.6 Å²	98.6	75%	0.748	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-0.5	-177.8	52.8	0	0	0	0	114.8	K114 N115	K114-S117 PolarHBondContact O-OG 2.95Å; N115-S117 PolarHBondContact O-N 3.03Å
118	S	43.5	Very low	58.9	Low	59 Å²	59	101.5 Å²	101.5	41%	0.413	55%	0.552	S	S	.	*	S	Bend	trans	-106.6	155.6	164.6	50.6	0	0	0	0	109.6	D120	S118-D120 WeakPolarHBondContact CB-OD2 3.24Å; S118-D120 PolarHBondContact O-N 3.07Å; S118-D120 PolarHBondContact OG-OD2 3.42Å
119	E	48.2	Very low	58.9	Low	187 Å²	187	99.1 Å²	99.1	87%	0.874	55%	0.546	S	S	*	.			trans	-78.6	27.1	-171.8	-59.6	-178.7	112	0	0	113.2	Q121	E119-Q121 VanDerWaalsContact C-N 3.29Å; E119-Q121 PolarHBondContact O-N 3.09Å
120	D	50.5	Low	59.1	Low	98 Å²	98	101.7 Å²	101.7	52%	0.524	57%	0.566	S	S	.	*			trans	-80.9	71.5	-174	-58.5	-53.1	0	0	0	111.4	S118 D122 S123	S118-D120 WeakPolarHBondContact CB-OD2 3.24Å; S118-D120 PolarHBondContact O-N 3.07Å; S118-D120 PolarHBondContact OG-OD2 3.42Å; D120-D122 PolarHBondContact O-N 3.42Å; D120-S123 PolarHBondContact O-N 3.44Å; D120-S123 VanDerWaalsContact O-N 3.08Å; D120-S123 PolarHBondContact O-OG 3.23Å
121	Q	53	Low	59.3	Low	190 Å²	190	105.4 Å²	105.4	89%	0.888	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-6	175.9	-62.4	-179.8	22.3	0	0	113.7	E119	E119-Q121 VanDerWaalsContact C-N 3.29Å; E119-Q121 PolarHBondContact O-N 3.09Å
122	D	52	Low	59.9	Low	152 Å²	152	103.4 Å²	103.4	81%	0.813	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-1	177.8	-125.3	3.4	0	0	0	113.9	D120 G124	D120-D122 PolarHBondContact O-N 3.42Å; D122-G124 PolarHBondContact O-N 2.85Å
123	S	51.2	Low	61.3	Low	74 Å²	74	102.8 Å²	102.8	52%	0.517	57%	0.57	S	S	.	*			trans	-70.4	11.7	174.5	-58.6	0	0	0	0	114	D120 L125	D120-S123 PolarHBondContact O-N 3.44Å; D120-S123 VanDerWaalsContact O-N 3.08Å; D120-S123 PolarHBondContact O-OG 3.23Å; S123-L125 VanDerWaalsContact C-N 3.33Å; S123-L125 PolarHBondContact O-N 3.37Å
124	G	47.6	Very low	63.1	Low	72 Å²	72	103.5 Å²	103.5	74%	0.742	58%	0.576	S	S	*	*			trans	-88.7	21	-176.6	0	0	0	0	0	115.3	D122	D122-G124 PolarHBondContact O-N 2.85Å
125	L	53	Low	65.2	Low	147 Å²	147	99.7 Å²	99.7	77%	0.77	56%	0.562	S	S	*	*	S	Bend	trans	-58.1	143.1	167.2	-67.2	176.7	0	0	0	109.7	S123 V127	S123-L125 VanDerWaalsContact C-N 3.33Å; S123-L125 PolarHBondContact O-N 3.37Å; L125-V127 PolarHBondContact O-N 3.29Å
126	E	53.2	Low	67.6	Low	194 Å²	194	95.3 Å²	95.3	91%	0.907	54%	0.539	S	S	*	.			trans	-56.4	112.4	177.4	-70.1	-171.3	153.9	0	0	109.5	D128	E126-D128 PolarHBondContact O-N 3.01Å
127	V	58.1	Low	70	Confident	92 Å²	92	93.2 Å²	93.2	56%	0.558	52%	0.521	S	S	*	.			trans	-69.1	96.7	-173.2	174.7	0	0	0	0	107.6	H109 L125 E129	H109-V127 WeakPolarHBondContact CE1-CG1 3.34Å; H109-V127 PolarHBondContact CE1-O 3Å; H109-V127 WeakPolarHBondContact ND1-CG1 3.23Å; L125-V127 PolarHBondContact O-N 3.29Å; V127-E129 PolarHBondContact O-N 2.92Å
128	D	71	Confident	72.4	Confident	73 Å²	73	95.1 Å²	95.1	39%	0.39	52%	0.518	S	S	.	.			trans	-64.4	95.4	-174	-179.4	20.6	0	0	0	111.9	H109 E126 S130 Q131	H109-D128 WeakPolarHBondContact CE1-CA 3.5Å; H109-D128 PolarHBondContact CE1-N 3.25Å; H109-D128 PolarHBondContact CE1-O 3.39Å; E126-D128 PolarHBondContact O-N 3.01Å; D128-S130 PolarHBondContact O-N 2.81Å; D128-S130 WeakPolarHBondContact OD1-CA 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.42Å; D128-S130 PolarHBondContact OD1-N 2.83Å; D128-S130 PolarHBondContact OD1-OG 2.86Å; D128-S130 PolarHBondContact OD2-OG 3.44Å; D128-Q131 PolarHBondContact O-N 3.24Å; D128-Q131 PolarHBondContact OD2-N 2.91Å
129	E	86.9	Confident	75	Confident	94 Å²	94	93 Å²	93	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-22.1	176.3	-177.3	165.2	-148.6	0	0	111.6	H109 V127 L132 L133 R161	H109-E129 PolarHBondContact CE1-N 3.32Å; V127-E129 PolarHBondContact O-N 2.92Å; E129-L132 PolarHBondContact O-N 3.29Å; E129-L133 HydrophobicContact CG-CD1 3.9Å; E129-L133 HydrophobicContact CG-CG 4.19Å; E129-L133 WeakPolarHBondContact O-CB 3.36Å; E129-L133 VanDerWaalsContact O-CG 3.25Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 2.75Å; E129-R161 IonicContact OE1-CZ 3.23Å; E129-R161 IonicContact OE1-NH1 3.66Å; E129-R161 PolarHBondContact OE1-NH1 3.19Å; E129-R161 IonicContact OE1-NH2 3.19Å; E129-R161 PolarHBondContact OE1-NH2 3.46Å
130	S	90.3	Very high	77.3	Confident	76 Å²	76	84.7 Å²	84.7	53%	0.531	46%	0.462	S	S	.	.	H	α-helix	trans	-69	-43.5	-179.7	81.6	0	0	0	0	112.3	D128 L133 S134	D128-S130 PolarHBondContact O-N 2.81Å; D128-S130 WeakPolarHBondContact OD1-CA 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.42Å; D128-S130 PolarHBondContact OD1-N 2.83Å; D128-S130 PolarHBondContact OD1-OG 2.86Å; D128-S130 PolarHBondContact OD2-OG 3.44Å; S130-L133 PolarHBondContact O-N 2.97Å; S130-S134 WeakPolarHBondContact O-CB 2.95Å; S130-S134 PolarHBondContact O-N 2.98Å
131	Q	91.9	Very high	79.6	Confident	81 Å²	81	84.5 Å²	84.5	38%	0.379	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-45.8	173.9	-168.8	66.2	59.6	0	0	111.7	D128 L133 S134 D135	D128-Q131 PolarHBondContact O-N 3.24Å; D128-Q131 PolarHBondContact OD2-N 2.91Å; Q131-L133 VanDerWaalsContact C-N 3.26Å; Q131-L133 PolarHBondContact O-N 2.89Å; Q131-S134 WeakPolarHBondContact O-CB 3.39Å; Q131-S134 PolarHBondContact O-N 2.96Å; Q131-S134 VanDerWaalsContact O-N 3.12Å; Q131-D135 PolarHBondContact NE2-OD1 2.91Å; Q131-D135 PolarHBondContact O-N 3.13Å
132	L	92.7	Very high	81.7	Confident	3 Å²	3	79.3 Å²	79.3	2%	0.016	44%	0.436	C	S	.	.	H	α-helix	trans	-57.4	-39.1	176.6	168.9	64.3	0	0	0	112.5	F105 H107 H109 L110 E129 Y136 F236	F105-L132 HydrophobicContact CE1-CD1 4.09Å; F105-L132 HydrophobicContact CZ-CD1 4.29Å; H107-L132 HydrophobicContact CB-CD1 3.84Å; H107-L132 VanDerWaalsContact CE1-CA 3.48Å; H107-L132 WeakPolarHBondContact CE1-CA 3.41Å; H107-L132 VanDerWaalsContact ND1-CD1 3.3Å; H107-L132 WeakPolarHBondContact ND1-CD1 3.05Å; H109-L132 HydrophobicContact CB-CD1 4.33Å; H109-L132 HydrophobicContact CB-CD2 4.12Å; L110-L132 HydrophobicContact CG-CD1 4.48Å; E129-L132 PolarHBondContact O-N 3.29Å; L132-Y136 VanDerWaalsContact O-CB 3.23Å; L132-Y136 WeakPolarHBondContact O-CB 3.25Å; L132-Y136 PolarHBondContact O-N 2.68Å; L132-Y136 VanDerWaalsContact O-N 3.13Å; L132-F236 HydrophobicContact CD1-CE1 4.16Å; L132-F236 HydrophobicContact CD1-CZ 4.07Å; L132-F236 HydrophobicContact CD2-CE1 4.43Å; L132-F236 HydrophobicContact CG-CE1 4.18Å
133	L	94.6	Very high	83.8	Confident	62 Å²	62	72.3 Å²	72.3	33%	0.325	40%	0.399	S	S	.	.	H	α-helix	trans	-74.8	-35	177.5	-69.7	173.7	0	0	0	112.2	E129 S130 Q131 Y136 H137 F236	E129-L133 HydrophobicContact CG-CD1 3.9Å; E129-L133 HydrophobicContact CG-CG 4.19Å; E129-L133 WeakPolarHBondContact O-CB 3.36Å; E129-L133 VanDerWaalsContact O-CG 3.25Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 2.75Å; S130-L133 PolarHBondContact O-N 2.97Å; Q131-L133 VanDerWaalsContact C-N 3.26Å; Q131-L133 PolarHBondContact O-N 2.89Å; L133-Y136 PolarHBondContact O-N 3.5Å; L133-H137 PolarHBondContact O-CD2 2.82Å; L133-H137 VanDerWaalsContact O-CD2 3.26Å; L133-H137 VanDerWaalsContact O-CG 3.28Å; L133-H137 PolarHBondContact O-N 2.87Å; L133-F236 HydrophobicContact CD2-CD1 4.27Å
134	S	95.2	Very high	86	Confident	65 Å²	65	72 Å²	72	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-62.7	-53.6	174.3	-170.5	0	0	0	0	111.5	S130 Q131 Y136 H137 E138	S130-S134 WeakPolarHBondContact O-CB 2.95Å; S130-S134 PolarHBondContact O-N 2.98Å; Q131-S134 WeakPolarHBondContact O-CB 3.39Å; Q131-S134 PolarHBondContact O-N 2.96Å; Q131-S134 VanDerWaalsContact O-N 3.12Å; S134-Y136 PolarHBondContact O-N 2.79Å; S134-H137 WeakPolarHBondContact O-CB 3.44Å; S134-H137 PolarHBondContact O-N 2.88Å; S134-E138 PolarHBondContact O-N 2.84Å
135	D	95.6	Very high	88.3	Confident	54 Å²	54	74.2 Å²	74.2	29%	0.289	38%	0.379	S	S	.	.	H	α-helix	trans	-58.8	-37.4	176.7	-74	29.9	0	0	0	111.3	H107 Q131 F139	H107-D135 IonicContact CD2-OD2 2.8Å; H107-D135 PolarHBondContact CD2-OD2 3.06Å; H107-D135 IonicContact NE2-OD2 2.72Å; H107-D135 PolarHBondContact NE2-OD2 3.15Å; Q131-D135 PolarHBondContact NE2-OD1 2.91Å; Q131-D135 PolarHBondContact O-N 3.13Å; D135-F139 VanDerWaalsContact O-CB 3.25Å; D135-F139 WeakPolarHBondContact O-CB 3.42Å; D135-F139 PolarHBondContact O-N 3.14Å
136	Y	97.4	Very high	90.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.8	-39.3	174.5	172.8	-107.3	0	0	0	112.8	F105 L132 L133 S134 F139 Y140 T159 F236 L237 N238	F105-Y136 HydrophobicContact CD1-CD2 4.39Å; F105-Y136 HydrophobicContact CE1-CD2 4.22Å; F105-Y136 HydrophobicContact CE2-CD2 4.45Å; F105-Y136 HydrophobicContact CZ-CD2 4.25Å; F105-Y136 HydrophobicContact CZ-CG 4.48Å; L132-Y136 VanDerWaalsContact O-CB 3.23Å; L132-Y136 WeakPolarHBondContact O-CB 3.25Å; L132-Y136 PolarHBondContact O-N 2.68Å; L132-Y136 VanDerWaalsContact O-N 3.13Å; L133-Y136 PolarHBondContact O-N 3.5Å; S134-Y136 PolarHBondContact O-N 2.79Å; Y136-F139 HydrophobicContact CD2-CD1 4.26Å; Y136-F139 HydrophobicContact CE2-CD1 4.3Å; Y136-Y140 VanDerWaalsContact O-CB 3.24Å; Y136-Y140 WeakPolarHBondContact O-CB 3.45Å; Y136-Y140 PolarHBondContact O-N 3.29Å; Y136-Y140 WeakPolarHBondContact OH-CD2 3.36Å; Y136-T159 HydrophobicContact CD2-CG2 4.38Å; Y136-T159 HydrophobicContact CE2-CG2 3.92Å; Y136-F236 HydrophobicContact CD1-CB 3.77Å; Y136-F236 AromaticContact CD1-CD1 3.72Å; Y136-F236 HydrophobicContact CD1-CD1 3.72Å; Y136-F236 AromaticContact CD1-CG 3.86Å; Y136-F236 HydrophobicContact CD1-CG 3.86Å; Y136-F236 HydrophobicContact CD2-CB 4.19Å; Y136-F236 HydrophobicContact CD2-CD1 4.11Å; Y136-F236 AromaticContact CD2-CD2 3.92Å; Y136-F236 HydrophobicContact CD2-CD2 3.92Å; Y136-F236 HydrophobicContact CD2-CE1 4.49Å; Y136-F236 HydrophobicContact CD2-CE2 4.32Å; Y136-F236 AromaticContact CD2-CG 3.82Å; Y136-F236 HydrophobicContact CD2-CG 3.82Å; Y136-F236 HydrophobicContact CE1-CB 3.33Å; Y136-F236 HydrophobicContact CE1-CD1 4.22Å; Y136-F236 AromaticContact CE1-CG 3.93Å; Y136-F236 HydrophobicContact CE1-CG 3.93Å; Y136-F236 HydrophobicContact CE2-CB 3.8Å; Y136-F236 AromaticContact CE2-CD2 3.98Å; Y136-F236 HydrophobicContact CE2-CD2 3.98Å; Y136-F236 AromaticContact CE2-CG 3.89Å; Y136-F236 HydrophobicContact CE2-CG 3.89Å; Y136-F236 HydrophobicContact CG-CB 4.18Å; Y136-F236 AromaticContact CG-CD1 3.67Å; Y136-F236 HydrophobicContact CG-CD1 3.67Å; Y136-F236 HydrophobicContact CG-CD2 4.33Å; Y136-F236 HydrophobicContact CG-CE1 4.09Å; Y136-F236 AromaticContact CG-CG 3.82Å; Y136-F236 HydrophobicContact CG-CG 3.82Å; Y136-F236 AromaticContact CZ-CG 3.93Å; Y136-L237 WeakPolarHBondContact CE1-O 3.06Å; Y136-N238 PolarHBondContact OH-OD1 2.89Å
137	H	97.3	Very high	92.5	Very high	78 Å²	78	61.1 Å²	61.1	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-65.7	-44.8	177.1	-74.6	-173.1	0	0	0	111.8	L133 S134 Y140 H141 P239	L133-H137 PolarHBondContact O-CD2 2.82Å; L133-H137 VanDerWaalsContact O-CD2 3.26Å; L133-H137 VanDerWaalsContact O-CG 3.28Å; L133-H137 PolarHBondContact O-N 2.87Å; S134-H137 WeakPolarHBondContact O-CB 3.44Å; S134-H137 PolarHBondContact O-N 2.88Å; H137-Y140 WeakPolarHBondContact O-CB 3.38Å; H137-Y140 PolarHBondContact O-N 2.86Å; H137-H141 PolarHBondContact O-CD2 3.29Å; H137-H141 PolarHBondContact O-N 3.35Å; H137-H141 VanDerWaalsContact O-N 3.07Å; H137-P239 HydrophobicContact CB-CG 4.37Å
138	E	97.1	Very high	94.4	Very high	146 Å²	146	59.3 Å²	59.3	68%	0.682	30%	0.299	S	S	*	.	H	α-helix	trans	-59.3	-51.7	175.5	-175.5	176.8	178.8	0	0	110.9	S134 Y140 H141 D142	S134-E138 PolarHBondContact O-N 2.84Å; E138-Y140 VanDerWaalsContact C-N 3.29Å; E138-Y140 PolarHBondContact O-N 2.92Å; E138-H141 PolarHBondContact O-N 2.72Å; E138-D142 PolarHBondContact O-N 3.22Å; E138-D142 VanDerWaalsContact O-N 3.09Å
139	F	97.8	Very high	95.6	Very high	15 Å²	15	60.7 Å²	60.7	7%	0.066	31%	0.314	C	S	.	.	H	α-helix	trans	-53.6	-44.4	173.8	170.2	-93.6	0	0	0	112.8	M104 F105 D135 Y136 H141 V143 T159 V171 F194	M104-F139 HydrophobicContact CB-CZ 4.21Å; M104-F139 HydrophobicContact CG-CE2 3.96Å; M104-F139 HydrophobicContact CG-CZ 3.93Å; M104-F139 HydrophobicContact SD-CE2 4.36Å; M104-F139 HydrophobicContact SD-CZ 4.05Å; F105-F139 HydrophobicContact CB-CD1 4.11Å; F105-F139 HydrophobicContact CB-CD2 4.43Å; F105-F139 HydrophobicContact CB-CE1 3.72Å; F105-F139 HydrophobicContact CB-CE2 4.04Å; F105-F139 HydrophobicContact CB-CG 4.45Å; F105-F139 HydrophobicContact CB-CZ 3.67Å; F105-F139 HydrophobicContact CD2-CB 3.78Å; F105-F139 AromaticContact CD2-CD1 3.61Å; F105-F139 HydrophobicContact CD2-CD1 3.61Å; F105-F139 AromaticContact CD2-CD2 3.72Å; F105-F139 HydrophobicContact CD2-CD2 3.72Å; F105-F139 HydrophobicContact CD2-CE1 4.12Å; F105-F139 HydrophobicContact CD2-CE2 4.18Å; F105-F139 AromaticContact CD2-CG 3.39Å; F105-F139 HydrophobicContact CD2-CG 3.39Å; F105-F139 HydrophobicContact CD2-CZ 4.37Å; F105-F139 HydrophobicContact CE2-CB 3.86Å; F105-F139 HydrophobicContact CE2-CD1 4.35Å; F105-F139 HydrophobicContact CE2-CG 4.01Å; F105-F139 HydrophobicContact CG-CD1 4.08Å; F105-F139 HydrophobicContact CG-CE1 4.2Å; F105-F139 HydrophobicContact CG-CG 4.27Å; F105-F139 HydrophobicContact CG-CZ 4.46Å; D135-F139 VanDerWaalsContact O-CB 3.25Å; D135-F139 WeakPolarHBondContact O-CB 3.42Å; D135-F139 PolarHBondContact O-N 3.14Å; Y136-F139 HydrophobicContact CD2-CD1 4.26Å; Y136-F139 HydrophobicContact CE2-CD1 4.3Å; F139-H141 VanDerWaalsContact C-N 3.35Å; F139-H141 PolarHBondContact O-N 2.58Å; F139-V143 HydrophobicContact CD2-CG2 3.92Å; F139-V143 HydrophobicContact CE1-CG2 4.2Å; F139-V143 HydrophobicContact CE2-CG2 3.54Å; F139-V143 HydrophobicContact CG-CG2 4.42Å; F139-V143 HydrophobicContact CZ-CB 4.46Å; F139-V143 HydrophobicContact CZ-CG2 3.69Å; F139-V143 WeakPolarHBondContact O-CB 3.16Å; F139-V143 WeakPolarHBondContact O-CG2 3.5Å; F139-V143 PolarHBondContact O-N 3.09Å; F139-T159 HydrophobicContact CE1-CG2 4.09Å; F139-V171 HydrophobicContact CE1-CG2 3.9Å; F139-V171 HydrophobicContact CZ-CG2 3.73Å; F139-F194 AromaticContact CD2-CE1 3.78Å; F139-F194 HydrophobicContact CD2-CE1 3.78Å; F139-F194 AromaticContact CD2-CZ 3.75Å; F139-F194 HydrophobicContact CD2-CZ 3.75Å; F139-F194 AromaticContact CE2-CE1 3.62Å; F139-F194 HydrophobicContact CE2-CE1 3.62Å; F139-F194 AromaticContact CE2-CZ 3.83Å; F139-F194 HydrophobicContact CE2-CZ 3.83Å
140	Y	98.1	Very high	96	Very high	13 Å²	13	62.3 Å²	62.3	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-45.3	-179.3	178.7	-88.9	0	0	0	111.5	Y136 H137 E138 R144 I157 N238 P239	Y136-Y140 VanDerWaalsContact O-CB 3.24Å; Y136-Y140 WeakPolarHBondContact O-CB 3.45Å; Y136-Y140 PolarHBondContact O-N 3.29Å; Y136-Y140 WeakPolarHBondContact OH-CD2 3.36Å; H137-Y140 WeakPolarHBondContact O-CB 3.38Å; H137-Y140 PolarHBondContact O-N 2.86Å; E138-Y140 VanDerWaalsContact C-N 3.29Å; E138-Y140 PolarHBondContact O-N 2.92Å; Y140-R144 HydrophobicContact CE1-CB 4.41Å; Y140-R144 WeakPolarHBondContact O-CB 3.01Å; Y140-R144 PolarHBondContact O-N 2.86Å; Y140-R144 PolarHBondContact OH-NH1 2.93Å; Y140-I157 HydrophobicContact CE2-CG1 4.46Å; Y140-I157 HydrophobicContact CE2-CG2 3.67Å; Y140-I157 WeakPolarHBondContact OH-CG2 3.43Å; Y140-N238 HydrophobicContact CE2-CB 3.78Å; Y140-N238 VanDerWaalsContact CE2-OD1 3.28Å; Y140-N238 WeakPolarHBondContact CE2-OD1 3.47Å; Y140-N238 PolarHBondContact OH-ND2 2.82Å; Y140-P239 HydrophobicContact CD1-CG 3.58Å; Y140-P239 HydrophobicContact CE1-CG 4.13Å; Y140-P239 HydrophobicContact CG-CG 3.95Å
141	H	97.4	Very high	96.2	Very high	93 Å²	93	59.8 Å²	59.8	43%	0.431	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-48.3	-179.3	-75.3	-64.2	0	0	0	111.7	H137 E138 F139 R144 M145	H137-H141 PolarHBondContact O-CD2 3.29Å; H137-H141 PolarHBondContact O-N 3.35Å; H137-H141 VanDerWaalsContact O-N 3.07Å; E138-H141 PolarHBondContact O-N 2.72Å; F139-H141 VanDerWaalsContact C-N 3.35Å; F139-H141 PolarHBondContact O-N 2.58Å; H141-R144 PolarHBondContact O-N 3.39Å; H141-M145 HydrophobicContact CB-CE 4.37Å; H141-M145 WeakPolarHBondContact O-CB 3.38Å; H141-M145 WeakPolarHBondContact O-CE 3.45Å; H141-M145 VanDerWaalsContact O-CG 3.24Å; H141-M145 WeakPolarHBondContact O-CG 3.47Å; H141-M145 PolarHBondContact O-N 3.03Å
142	D	97.1	Very high	96.4	Very high	82 Å²	82	57.5 Å²	57.5	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-58.2	-53.6	179.1	-176.3	42.1	0	0	0	111.8	E138 R144 M145 E146 F194	E138-D142 PolarHBondContact O-N 3.22Å; E138-D142 VanDerWaalsContact O-N 3.09Å; D142-R144 PolarHBondContact O-N 2.91Å; D142-M145 PolarHBondContact O-N 3.35Å; D142-E146 PolarHBondContact O-N 3.15Å; D142-E146 VanDerWaalsContact O-N 3.07Å; D142-F194 WeakPolarHBondContact OD2-CE2 3.25Å
143	V	97.1	Very high	96.5	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-40.6	-179.7	174.8	0	0	0	0	112	M104 F139 L147 I157 F194	M104-V143 HydrophobicContact CE-CB 4.32Å; M104-V143 HydrophobicContact CE-CG1 3.91Å; M104-V143 HydrophobicContact CE-CG2 3.44Å; M104-V143 VanDerWaalsContact CE-CG2 3.44Å; M104-V143 HydrophobicContact SD-CG1 3.96Å; M104-V143 HydrophobicContact SD-CG2 4.07Å; F139-V143 HydrophobicContact CD2-CG2 3.92Å; F139-V143 HydrophobicContact CE1-CG2 4.2Å; F139-V143 HydrophobicContact CE2-CG2 3.54Å; F139-V143 HydrophobicContact CG-CG2 4.42Å; F139-V143 HydrophobicContact CZ-CB 4.46Å; F139-V143 HydrophobicContact CZ-CG2 3.69Å; F139-V143 WeakPolarHBondContact O-CB 3.16Å; F139-V143 WeakPolarHBondContact O-CG2 3.5Å; F139-V143 PolarHBondContact O-N 3.09Å; V143-L147 HydrophobicContact CG1-CD1 3.69Å; V143-L147 HydrophobicContact CG1-CG 4.3Å; V143-L147 WeakPolarHBondContact O-CB 3.14Å; V143-L147 WeakPolarHBondContact O-CD1 3.35Å; V143-L147 WeakPolarHBondContact O-CG 3.48Å; V143-L147 PolarHBondContact O-N 2.65Å; V143-L147 VanDerWaalsContact O-N 3.13Å; V143-I157 HydrophobicContact CG1-CD1 4.32Å; V143-F194 HydrophobicContact CG2-CE2 4.14Å; V143-F194 HydrophobicContact CG2-CZ 4.08Å
144	R	97.1	Very high	96.6	Very high	67 Å²	67	62 Å²	62	25%	0.253	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-45.9	177.7	-180	172.5	-176.7	126.1	18.2	111.5	Y140 H141 D142 L147 E148 I154	Y140-R144 HydrophobicContact CE1-CB 4.41Å; Y140-R144 WeakPolarHBondContact O-CB 3.01Å; Y140-R144 PolarHBondContact O-N 2.86Å; Y140-R144 PolarHBondContact OH-NH1 2.93Å; H141-R144 PolarHBondContact O-N 3.39Å; D142-R144 PolarHBondContact O-N 2.91Å; R144-L147 PolarHBondContact O-N 3.07Å; R144-E148 HydrophobicContact CG-CG 4.27Å; R144-E148 WeakPolarHBondContact CG-OE2 3.43Å; R144-E148 IonicContact CZ-OE1 2.95Å; R144-E148 IonicContact CZ-OE2 3.79Å; R144-E148 IonicContact NE-OE1 2.71Å; R144-E148 PolarHBondContact NE-OE1 3.25Å; R144-E148 IonicContact NE-OE2 3.39Å; R144-E148 PolarHBondContact NE-OE2 3.04Å; R144-E148 IonicContact NH2-OE1 2.73Å; R144-E148 PolarHBondContact NH2-OE1 3.22Å; R144-E148 IonicContact NH2-OE2 3.51Å; R144-E148 WeakPolarHBondContact O-CB 3.26Å; R144-E148 WeakPolarHBondContact O-CG 3.3Å; R144-E148 PolarHBondContact O-N 2.74Å; R144-I154 HydrophobicContact CG-CD1 4.38Å
145	M	96.7	Very high	96.5	Very high	119 Å²	119	59.5 Å²	59.5	59%	0.586	29%	0.293	S	S	*	.	H	α-helix	trans	-65.5	-46.1	-177.9	-71.7	-175	-60.8	0	0	112.3	H141 D142 L147 E148 S149	H141-M145 HydrophobicContact CB-CE 4.37Å; H141-M145 WeakPolarHBondContact O-CB 3.38Å; H141-M145 WeakPolarHBondContact O-CE 3.45Å; H141-M145 VanDerWaalsContact O-CG 3.24Å; H141-M145 WeakPolarHBondContact O-CG 3.47Å; H141-M145 PolarHBondContact O-N 3.03Å; D142-M145 PolarHBondContact O-N 3.35Å; M145-L147 VanDerWaalsContact C-N 3.33Å; M145-L147 PolarHBondContact O-N 3.31Å; M145-E148 PolarHBondContact O-N 2.96Å; M145-S149 WeakPolarHBondContact O-CB 3.25Å; M145-S149 PolarHBondContact O-N 3.09Å
146	E	97	Very high	96.4	Very high	61 Å²	61	57.1 Å²	57.1	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-40.1	176.8	168.1	72.4	159.3	0	0	111.9	D142 R150 R192	D142-E146 PolarHBondContact O-N 3.15Å; D142-E146 VanDerWaalsContact O-N 3.07Å; E146-R150 WeakPolarHBondContact O-CG 3.47Å; E146-R150 PolarHBondContact O-N 3.2Å; E146-R150 IonicContact OE1-CZ 3.63Å; E146-R150 IonicContact OE1-NE 2.83Å; E146-R150 PolarHBondContact OE1-NE 3.31Å; E146-R150 IonicContact OE1-NH2 3.54Å; E146-R150 PolarHBondContact OE1-NH2 3.38Å; E146-R150 IonicContact OE2-CZ 3.5Å; E146-R150 IonicContact OE2-NE 3.46Å; E146-R150 PolarHBondContact OE2-NE 3.05Å; E146-R150 IonicContact OE2-NH2 2.73Å; E146-R150 PolarHBondContact OE2-NH2 3.16Å; E146-R192 IonicContact OE1-CZ 2.71Å; E146-R192 VanDerWaalsContact OE1-CZ 3.22Å; E146-R192 IonicContact OE1-NH1 3.13Å; E146-R192 PolarHBondContact OE1-NH1 3.01Å; E146-R192 IonicContact OE1-NH2 3.23Å; E146-R192 PolarHBondContact OE1-NH2 3.16Å
147	L	96.9	Very high	96.4	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-70.6	-45.2	177.1	-70	171.9	0	0	0	112.5	L99 V143 R144 M145 S149 R150 W151 I154 I157 V173 F175	L99-L147 HydrophobicContact CD2-CD2 4.35Å; V143-L147 HydrophobicContact CG1-CD1 3.69Å; V143-L147 HydrophobicContact CG1-CG 4.3Å; V143-L147 WeakPolarHBondContact O-CB 3.14Å; V143-L147 WeakPolarHBondContact O-CD1 3.35Å; V143-L147 WeakPolarHBondContact O-CG 3.48Å; V143-L147 PolarHBondContact O-N 2.65Å; V143-L147 VanDerWaalsContact O-N 3.13Å; R144-L147 PolarHBondContact O-N 3.07Å; M145-L147 VanDerWaalsContact C-N 3.33Å; M145-L147 PolarHBondContact O-N 3.31Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 3.47Å; L147-R150 PolarHBondContact O-N 2.84Å; L147-W151 HydrophobicContact CB-CE3 4.44Å; L147-W151 HydrophobicContact CD2-CE3 3.85Å; L147-W151 HydrophobicContact CD2-CZ3 3.65Å; L147-W151 PolarHBondContact O-N 3.03Å; L147-I154 HydrophobicContact CB-CD1 3.74Å; L147-I154 HydrophobicContact CD1-CD1 4.1Å; L147-I157 HydrophobicContact CD1-CD1 4.23Å; L147-V173 HydrophobicContact CD1-CG1 4.29Å; L147-V173 HydrophobicContact CD1-CG2 3.82Å; L147-F175 HydrophobicContact CD2-CZ 4.34Å
148	E	97.1	Very high	96.4	Very high	54 Å²	54	53.6 Å²	53.6	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-67.9	-33.8	179.9	-73.7	-171.6	134.1	0	0	112.5	R144 M145 R150 G152 I154	R144-E148 HydrophobicContact CG-CG 4.27Å; R144-E148 WeakPolarHBondContact CG-OE2 3.43Å; R144-E148 IonicContact CZ-OE1 2.95Å; R144-E148 IonicContact CZ-OE2 3.79Å; R144-E148 IonicContact NE-OE1 2.71Å; R144-E148 PolarHBondContact NE-OE1 3.25Å; R144-E148 IonicContact NE-OE2 3.39Å; R144-E148 PolarHBondContact NE-OE2 3.04Å; R144-E148 IonicContact NH2-OE1 2.73Å; R144-E148 PolarHBondContact NH2-OE1 3.22Å; R144-E148 IonicContact NH2-OE2 3.51Å; R144-E148 WeakPolarHBondContact O-CB 3.26Å; R144-E148 WeakPolarHBondContact O-CG 3.3Å; R144-E148 PolarHBondContact O-N 2.74Å; M145-E148 PolarHBondContact O-N 2.96Å; E148-R150 VanDerWaalsContact C-N 3.34Å; E148-R150 PolarHBondContact O-N 3.2Å; E148-G152 WeakPolarHBondContact O-CA 3.44Å; E148-G152 PolarHBondContact O-N 3Å; E148-G152 VanDerWaalsContact O-N 3.11Å; E148-I154 HydrophobicContact CG-CB 4.08Å; E148-I154 HydrophobicContact CG-CD1 3.7Å; E148-I154 HydrophobicContact CG-CG1 3.65Å; E148-I154 PolarHBondContact OE1-N 3.24Å; E148-I154 VanDerWaalsContact OE1-N 3.11Å
149	S	96.7	Very high	96.5	Very high	101 Å²	101	46.7 Å²	46.7	71%	0.706	23%	0.232	S	C	*	.	H	α-helix	trans	-62	-37.8	175.5	-177.4	0	0	0	0	112.9	M145 L147	M145-S149 WeakPolarHBondContact O-CB 3.25Å; M145-S149 PolarHBondContact O-N 3.09Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 3.47Å
150	R	94.9	Very high	96.5	Very high	129 Å²	129	46 Å²	46	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-95.3	-41.3	-172.4	-69.8	176.1	-176.1	-114.4	2.4	114.8	E146 L147 E148	E146-R150 WeakPolarHBondContact O-CG 3.47Å; E146-R150 PolarHBondContact O-N 3.2Å; E146-R150 IonicContact OE1-CZ 3.63Å; E146-R150 IonicContact OE1-NE 2.83Å; E146-R150 PolarHBondContact OE1-NE 3.31Å; E146-R150 IonicContact OE1-NH2 3.54Å; E146-R150 PolarHBondContact OE1-NH2 3.38Å; E146-R150 IonicContact OE2-CZ 3.5Å; E146-R150 IonicContact OE2-NE 3.46Å; E146-R150 PolarHBondContact OE2-NE 3.05Å; E146-R150 IonicContact OE2-NH2 2.73Å; E146-R150 PolarHBondContact OE2-NH2 3.16Å; L147-R150 PolarHBondContact O-N 2.84Å; E148-R150 VanDerWaalsContact C-N 3.34Å; E148-R150 PolarHBondContact O-N 3.2Å
151	W	95.6	Very high	96.4	Very high	23 Å²	23	47.9 Å²	47.9	9%	0.087	24%	0.236	C	C	.	.	H	α-helix	trans	-112.7	-0.2	-174.7	-60.4	-81.4	0	0	0	113.5	L147 F175 A185 A188 C189	L147-W151 HydrophobicContact CB-CE3 4.44Å; L147-W151 HydrophobicContact CD2-CE3 3.85Å; L147-W151 HydrophobicContact CD2-CZ3 3.65Å; L147-W151 PolarHBondContact O-N 3.03Å; W151-F175 HydrophobicContact CB-CD1 3.85Å; W151-F175 HydrophobicContact CB-CE1 3.61Å; W151-F175 HydrophobicContact CB-CZ 4.24Å; W151-F175 HydrophobicContact CE3-CE1 4.49Å; W151-F175 HydrophobicContact CG-CE1 4.31Å; W151-F175 HydrophobicContact CG-CZ 4.5Å; W151-A185 HydrophobicContact CD2-CB 3.59Å; W151-A185 VanDerWaalsContact CE2-CA 3.47Å; W151-A185 HydrophobicContact CE3-CB 4.1Å; W151-A185 HydrophobicContact CG-CB 3.87Å; W151-A185 HydrophobicContact CZ2-CB 4.14Å; W151-A188 HydrophobicContact CZ2-CB 3.86Å; W151-C189 WeakPolarHBondContact CH2-SG 3.23Å
152	G	94.5	Very high	96.3	Very high	32 Å²	32	43.5 Å²	43.5	33%	0.33	22%	0.215	S	C	.	.			trans	83.8	-174.4	-179.2	0	0	0	0	0	113.4	E148 I154	E148-G152 WeakPolarHBondContact O-CA 3.44Å; E148-G152 PolarHBondContact O-N 3Å; E148-G152 VanDerWaalsContact O-N 3.11Å; G152-I154 PolarHBondContact O-N 2.94Å
153	K	95.9	Very high	96.2	Very high	156 Å²	156	41.5 Å²	41.5	68%	0.678	20%	0.204	S	C	*	.			trans	-49.7	125.3	-170.2	-174.7	180	-179.6	177.5	0	113.3	S176	K153-S176 WeakPolarHBondContact O-CB 3.36Å; K153-S176 PolarHBondContact O-N 3.43Å; K153-S176 PolarHBondContact O-OG 3.31Å
154	I	95.6	Very high	96.1	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130	172.7	-70.4	171.5	0	0	0	109.6	R144 L147 E148 G152 V156 I157 V173 F175	R144-I154 HydrophobicContact CG-CD1 4.38Å; L147-I154 HydrophobicContact CB-CD1 3.74Å; L147-I154 HydrophobicContact CD1-CD1 4.1Å; E148-I154 HydrophobicContact CG-CB 4.08Å; E148-I154 HydrophobicContact CG-CD1 3.7Å; E148-I154 HydrophobicContact CG-CG1 3.65Å; E148-I154 PolarHBondContact OE1-N 3.24Å; E148-I154 VanDerWaalsContact OE1-N 3.11Å; G152-I154 PolarHBondContact O-N 2.94Å; I154-V156 VanDerWaalsContact CG2-O 3.24Å; I154-V156 WeakPolarHBondContact CG2-O 3.47Å; I154-I157 HydrophobicContact CG2-CB 3.96Å; I154-I157 HydrophobicContact CG2-CG2 4.06Å; I154-V173 HydrophobicContact CD1-CG1 3.89Å; I154-V173 HydrophobicContact CG1-CG1 3.91Å; I154-V173 HydrophobicContact CG2-CG1 4.03Å; I154-F175 HydrophobicContact CG1-CD1 4.2Å; I154-F175 HydrophobicContact CG1-CE1 4.17Å
155	S	92.9	Very high	95.9	Very high	13 Å²	13	43.1 Å²	43.1	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-56.8	168.4	-179	0	0	0	0	108.2	E174 S176 R256	S155-E174 WeakPolarHBondContact CA-O 3.02Å; S155-E174 WeakPolarHBondContact CB-O 3.38Å; S155-E174 WeakPolarHBondContact CB-OE1 3.22Å; S155-E174 PolarHBondContact N-O 2.98Å; S155-E174 PolarHBondContact OG-OE1 3.29Å; S155-S176 PolarHBondContact N-OG 3.05Å; S155-R256 WeakPolarHBondContact O-CB 3.21Å; S155-R256 PolarHBondContact OG-NH1 2.92Å
156	V	95.1	Very high	95.9	Very high	4 Å²	4	39 Å²	39	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.6	-176.7	-169	0	0	0	0	110.7	I154 R158 V173 E174 W210 G255 R256	I154-V156 VanDerWaalsContact CG2-O 3.24Å; I154-V156 WeakPolarHBondContact CG2-O 3.47Å; V156-R158 HydrophobicContact CG1-CG 3.88Å; V156-V173 CarbonylContact O-C 3.58Å; V156-V173 WeakPolarHBondContact O-CA 3.33Å; V156-E174 HydrophobicContact CB-CB 3.91Å; V156-E174 HydrophobicContact CG2-CB 4.17Å; V156-E174 WeakPolarHBondContact CG2-OE2 3.46Å; V156-E174 PolarHBondContact N-O 2.91Å; V156-E174 VanDerWaalsContact N-O 3.1Å; V156-E174 PolarHBondContact O-N 3.03Å; V156-W210 HydrophobicContact CB-CH2 4.37Å; V156-W210 HydrophobicContact CB-CZ2 3.58Å; V156-W210 HydrophobicContact CG1-CD2 4.04Å; V156-W210 HydrophobicContact CG1-CE3 4.43Å; V156-W210 HydrophobicContact CG1-CH2 3.86Å; V156-W210 HydrophobicContact CG1-CZ2 3.44Å; V156-W210 VanDerWaalsContact CG1-CZ2 3.44Å; V156-W210 HydrophobicContact CG1-CZ3 4.36Å; V156-W210 HydrophobicContact CG2-CZ2 4.31Å; V156-G255 WeakPolarHBondContact CG1-O 3.44Å; V156-R256 HydrophobicContact CG2-CB 3.96Å
157	I	96.9	Very high	95.9	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.9	165.5	176.7	163.6	0	0	0	108.8	Y140 V143 L147 I154 V171 Y172 V173 N238	Y140-I157 HydrophobicContact CE2-CG1 4.46Å; Y140-I157 HydrophobicContact CE2-CG2 3.67Å; Y140-I157 WeakPolarHBondContact OH-CG2 3.43Å; V143-I157 HydrophobicContact CG1-CD1 4.32Å; L147-I157 HydrophobicContact CD1-CD1 4.23Å; I154-I157 HydrophobicContact CG2-CB 3.96Å; I154-I157 HydrophobicContact CG2-CG2 4.06Å; I157-V171 HydrophobicContact CD1-CG1 4.09Å; I157-V171 HydrophobicContact CG1-CG1 4Å; I157-Y172 WeakPolarHBondContact CA-O 3.46Å; I157-V173 HydrophobicContact CD1-CG2 4.35Å; I157-V173 HydrophobicContact CG1-CG2 4.33Å; I157-N238 PolarHBondContact O-ND2 3.44Å; I157-N238 PolarHBondContact O-OD1 3.44Å
158	R	97.3	Very high	95.8	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	125.9	-178.8	-63.6	-63.8	171.6	-171.6	-2.8	111	V156 V171 Y172 W210 I214 V235 E241 G255	V156-R158 HydrophobicContact CG1-CG 3.88Å; R158-V171 CarbonylContact O-C 3.47Å; R158-V171 WeakPolarHBondContact O-CA 3.5Å; R158-Y172 PolarHBondContact N-O 2.83Å; R158-Y172 PolarHBondContact O-N 2.83Å; R158-W210 HydrophobicContact CB-CH2 4.14Å; R158-W210 HydrophobicContact CB-CZ3 3.71Å; R158-W210 HydrophobicContact CG-CE3 3.94Å; R158-W210 HydrophobicContact CG-CH2 3.91Å; R158-W210 HydrophobicContact CG-CZ3 3.45Å; R158-W210 VanDerWaalsContact CG-CZ3 3.45Å; R158-I214 HydrophobicContact CG-CD1 4.44Å; R158-V235 HydrophobicContact CB-CG1 3.99Å; R158-V235 HydrophobicContact CG-CG1 4.41Å; R158-E241 IonicContact CZ-OE1 3.34Å; R158-E241 IonicContact CZ-OE2 2.71Å; R158-E241 VanDerWaalsContact NH1-CD 3.3Å; R158-E241 IonicContact NH1-OE1 2.7Å; R158-E241 PolarHBondContact NH1-OE1 3.32Å; R158-E241 IonicContact NH1-OE2 2.99Å; R158-E241 PolarHBondContact NH1-OE2 2.93Å; R158-E241 IonicContact NH2-OE1 3.63Å; R158-E241 PolarHBondContact NH2-OE1 3Å; R158-E241 IonicContact NH2-OE2 3.77Å; R158-G255 PolarHBondContact NH2-O 2.87Å
159	T	98	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137	176	-53.1	0	0	0	0	110	F105 Y136 F139 V171 V235 F236	F105-T159 HydrophobicContact CB-CG2 3.64Å; F105-T159 HydrophobicContact CD1-CG2 4.2Å; F105-T159 HydrophobicContact CG-CG2 4.13Å; Y136-T159 HydrophobicContact CD2-CG2 4.38Å; Y136-T159 HydrophobicContact CE2-CG2 3.92Å; F139-T159 HydrophobicContact CE1-CG2 4.09Å; T159-V171 HydrophobicContact CG2-CG2 4.04Å; T159-V235 CarbonylContact O-C 3.59Å; T159-V235 VanDerWaalsContact O-CA 3.29Å; T159-V235 WeakPolarHBondContact O-CA 3.45Å; T159-F236 HydrophobicContact CG2-CD2 4.07Å; T159-F236 HydrophobicContact CG2-CE2 4.37Å; T159-F236 PolarHBondContact O-N 2.72Å
160	C	97.9	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-87.7	123.4	-176.9	-67.1	0	0	0	0	113.4	L167 G169 S170 Y172 H234	C160-L167 WeakPolarHBondContact CB-O 3.49Å; C160-G169 WeakPolarHBondContact O-CA 3.25Å; C160-G169 PolarHBondContact O-N 2.86Å; C160-S170 WeakPolarHBondContact CB-O 3.26Å; C160-S170 PolarHBondContact N-O 2.93Å; C160-S170 PolarHBondContact SG-O 2.88Å; C160-Y172 VanDerWaalsContact SG-CE2 3.54Å; C160-H234 CarbonylContact C-O 3.5Å; C160-H234 VanDerWaalsContact CA-O 3.3Å; C160-H234 WeakPolarHBondContact CA-O 3.29Å
161	R	96.1	Very high	96	Very high	54 Å²	54	23.4 Å²	23.4	20%	0.204	12%	0.118	C	C	.	.			trans	-85.1	-5.4	170.9	-168.1	162.5	178	-160.1	3.4	113.7	L110 E129 L163 Y218 H234 F236	L110-R161 HydrophobicContact CD2-CG 4.22Å; L110-R161 WeakPolarHBondContact CD2-O 3.47Å; E129-R161 IonicContact OE1-CZ 3.23Å; E129-R161 IonicContact OE1-NH1 3.66Å; E129-R161 PolarHBondContact OE1-NH1 3.19Å; E129-R161 IonicContact OE1-NH2 3.19Å; E129-R161 PolarHBondContact OE1-NH2 3.46Å; R161-L163 PolarHBondContact O-N 3.31Å; R161-Y218 HydrophobicContact CB-CE1 4.49Å; R161-Y218 WeakPolarHBondContact CD-OH 3.49Å; R161-Y218 WeakPolarHBondContact CG-OH 3.32Å; R161-H234 PolarHBondContact N-O 3.46Å; R161-F236 VanDerWaalsContact CA-CE2 3.47Å; R161-F236 HydrophobicContact CB-CD1 4.43Å; R161-F236 HydrophobicContact CB-CD2 3.76Å; R161-F236 HydrophobicContact CB-CE1 4.22Å; R161-F236 HydrophobicContact CB-CE2 3.5Å; R161-F236 HydrophobicContact CB-CG 4.2Å; R161-F236 HydrophobicContact CB-CZ 3.74Å; R161-F236 HydrophobicContact CG-CD1 4.43Å; R161-F236 HydrophobicContact CG-CD2 4.47Å; R161-F236 HydrophobicContact CG-CE1 3.89Å; R161-F236 HydrophobicContact CG-CE2 3.92Å; R161-F236 HydrophobicContact CG-CZ 3.58Å
162	N	96	Very high	96.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.			trans	-49.4	137.4	177.1	-63.9	85	0	0	0	112.1	A164 L167 R168 C230 F232 H234	N162-A164 VanDerWaalsContact C-N 3.34Å; N162-A164 HydrophobicContact CB-CB 4.39Å; N162-L167 HydrophobicContact CB-CB 3.64Å; N162-L167 HydrophobicContact CB-CD1 4.49Å; N162-R168 WeakPolarHBondContact O-CA 3.24Å; N162-R168 VanDerWaalsContact O-CB 3.25Å; N162-R168 WeakPolarHBondContact O-CB 3.35Å; N162-R168 WeakPolarHBondContact O-CG 3.25Å; N162-C230 PolarHBondContact ND2-O 3.14Å; N162-F232 PolarHBondContact ND2-O 3.18Å; N162-H234 PolarHBondContact OD1-N 3.35Å; N162-H234 PolarHBondContact OD1-O 2.95Å
163	L	94.3	Very high	96.3	Very high	40 Å²	40	20.8 Å²	20.8	21%	0.209	10%	0.098	C	C	.	.			trans	-81	-18.3	165.6	-62.4	-178.8	0	0	0	111.6	L110 R161 N165 R168 D227 L228	L110-L163 HydrophobicContact CB-CD2 4.46Å; L110-L163 HydrophobicContact CD2-CD2 4.14Å; L110-L163 WeakPolarHBondContact O-CD2 3.28Å; R161-L163 PolarHBondContact O-N 3.31Å; L163-N165 PolarHBondContact O-N 2.97Å; L163-R168 PolarHBondContact O-NE 3.21Å; L163-R168 PolarHBondContact O-NH2 3.45Å; L163-D227 HydrophobicContact CB-CB 3.95Å; L163-D227 HydrophobicContact CD1-CB 4.01Å; L163-D227 HydrophobicContact CG-CB 3.66Å; L163-D227 PolarHBondContact N-O 3.2Å; L163-L228 HydrophobicContact CB-CD1 4.37Å
164	A	94.7	Very high	96.3	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.025	8%	0.075	C	C	.	.	S	Bend	trans	-57.2	122.4	175.5	0	0	0	0	0	112.2	N162 H166 L167 R168 D227 L228	N162-A164 VanDerWaalsContact C-N 3.34Å; N162-A164 HydrophobicContact CB-CB 4.39Å; A164-H166 PolarHBondContact O-N 2.94Å; A164-L167 PolarHBondContact O-N 2.96Å; A164-R168 PolarHBondContact O-N 2.78Å; A164-D227 PolarHBondContact N-O 3.32Å; A164-L228 WeakPolarHBondContact CB-O 3.25Å
165	N	94.2	Very high	96.3	Very high	104 Å²	104	15.5 Å²	15.5	56%	0.556	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-26.1	-172.1	-180	42.6	0	0	0	115.8	K103 L163	K103-N165 WeakPolarHBondContact CE-O 3.36Å; K103-N165 PolarHBondContact NZ-OD1 3.05Å; L163-N165 PolarHBondContact O-N 2.97Å
166	H	95.5	Very high	96.4	Very high	33 Å²	33	17.9 Å²	17.9	15%	0.153	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.7	-178.4	67.4	-77.4	0	0	0	114.3	R55 A164	R55-H166 VanDerWaalsContact CA-CG 3.47Å; R55-H166 PolarHBondContact N-CD2 3.06Å; A164-H166 PolarHBondContact O-N 2.94Å
167	L	97.1	Very high	96.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-28.1	178.5	-70.8	178.6	0	0	0	113.2	A53 C160 N162 A164 G169 S170 L233	A53-L167 HydrophobicContact CB-CD2 3.52Å; C160-L167 WeakPolarHBondContact CB-O 3.49Å; N162-L167 HydrophobicContact CB-CB 3.64Å; N162-L167 HydrophobicContact CB-CD1 4.49Å; A164-L167 PolarHBondContact O-N 2.96Å; L167-G169 PolarHBondContact O-N 2.86Å; L167-S170 WeakPolarHBondContact O-CB 3.47Å; L167-S170 PolarHBondContact O-N 3.03Å; L167-S170 VanDerWaalsContact O-N 3.09Å; L167-S170 PolarHBondContact O-OG 3.2Å; L167-L233 HydrophobicContact CD1-CD2 4.21Å; L167-L233 HydrophobicContact CD2-CD2 3.42Å; L167-L233 VanDerWaalsContact CD2-CD2 3.42Å; L167-L233 HydrophobicContact CG-CD2 4.4Å
168	R	96.2	Very high	95.7	Very high	21 Å²	21	27.3 Å²	27.3	8%	0.079	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	121.8	-175.3	-175.6	-169.1	-56.5	-178.6	-3	113.3	K103 L110 D111 T113 N162 L163 A164 S170	K103-R168 WeakPolarHBondContact CG-O 3.39Å; L110-R168 HydrophobicContact CB-CG 4.02Å; L110-R168 WeakPolarHBondContact O-CD 3.35Å; L110-R168 PolarHBondContact O-NE 2.63Å; L110-R168 PolarHBondContact O-NH1 3.19Å; D111-R168 IonicContact OD1-CZ 3.54Å; D111-R168 IonicContact OD1-NH1 3.57Å; D111-R168 PolarHBondContact OD1-NH1 2.79Å; T113-R168 PolarHBondContact OG1-NH1 3.24Å; T113-R168 PolarHBondContact OG1-NH2 2.97Å; N162-R168 WeakPolarHBondContact O-CA 3.24Å; N162-R168 VanDerWaalsContact O-CB 3.25Å; N162-R168 WeakPolarHBondContact O-CB 3.35Å; N162-R168 WeakPolarHBondContact O-CG 3.25Å; L163-R168 PolarHBondContact O-NE 3.21Å; L163-R168 PolarHBondContact O-NH2 3.45Å; A164-R168 PolarHBondContact O-N 2.78Å; R168-S170 PolarHBondContact O-N 2.9Å; R168-S170 VanDerWaalsContact O-N 3.07Å
169	G	96.8	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	3.7	172.4	0	0	0	0	0	115.2	K103 M104 F105 C160 L167	K103-G169 CarbonylContact C-O 3.54Å; M104-G169 PolarHBondContact N-O 2.96Å; F105-G169 PolarHBondContact N-O 3.26Å; F105-G169 WeakPolarHBondContact O-CA 3.22Å; C160-G169 WeakPolarHBondContact O-CA 3.25Å; C160-G169 PolarHBondContact O-N 2.86Å; L167-G169 PolarHBondContact O-N 2.86Å
170	S	97.9	Very high	95.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	18%	0.175	C	C	.	.			trans	-73.9	136.2	178.9	-61.1	0	0	0	0	110.6	I101 K103 C160 L167 R168	I101-S170 CarbonylContact O-C 3.59Å; I101-S170 VanDerWaalsContact O-CA 3.29Å; I101-S170 WeakPolarHBondContact O-CA 3.2Å; K103-S170 PolarHBondContact N-OG 3.3Å; C160-S170 WeakPolarHBondContact CB-O 3.26Å; C160-S170 PolarHBondContact N-O 2.93Å; C160-S170 PolarHBondContact SG-O 2.88Å; L167-S170 WeakPolarHBondContact O-CB 3.47Å; L167-S170 PolarHBondContact O-N 3.03Å; L167-S170 VanDerWaalsContact O-N 3.09Å; L167-S170 PolarHBondContact O-OG 3.2Å; R168-S170 PolarHBondContact O-N 2.9Å; R168-S170 VanDerWaalsContact O-N 3.07Å
171	V	98.4	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.4	178.1	-178.1	0	0	0	0	108.8	Q100 I101 M104 F139 I157 R158 T159 V173	Q100-V171 CarbonylContact C-O 3.56Å; Q100-V171 WeakPolarHBondContact CA-O 3.3Å; I101-V171 HydrophobicContact CB-CB 4.44Å; I101-V171 PolarHBondContact N-O 3.11Å; I101-V171 PolarHBondContact O-N 3.47Å; M104-V171 HydrophobicContact CB-CG2 3.96Å; M104-V171 HydrophobicContact SD-CG2 4.17Å; F139-V171 HydrophobicContact CE1-CG2 3.9Å; F139-V171 HydrophobicContact CZ-CG2 3.73Å; I157-V171 HydrophobicContact CD1-CG1 4.09Å; I157-V171 HydrophobicContact CG1-CG1 4Å; R158-V171 CarbonylContact O-C 3.47Å; R158-V171 WeakPolarHBondContact O-CA 3.5Å; T159-V171 HydrophobicContact CG2-CG2 4.04Å; V171-V173 HydrophobicContact CG1-CG2 3.82Å
172	Y	98.4	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.5	175.1	-64.6	-101.7	0	0	0	108.9	T51 V98 L99 Q100 I157 R158 C160 V204 L233	T51-Y172 VanDerWaalsContact O-CE1 3.22Å; T51-Y172 WeakPolarHBondContact O-CE1 3.35Å; T51-Y172 PolarHBondContact O-OH 2.88Å; V98-Y172 HydrophobicContact CG2-CD1 3.91Å; L99-Y172 CarbonylContact O-C 3.55Å; L99-Y172 VanDerWaalsContact O-CA 3.3Å; L99-Y172 WeakPolarHBondContact O-CA 3.44Å; Q100-Y172 HydrophobicContact CB-CD1 4.23Å; Q100-Y172 HydrophobicContact CB-CE1 4.18Å; Q100-Y172 HydrophobicContact CG-CD1 4.22Å; Q100-Y172 HydrophobicContact CG-CE1 3.77Å; Q100-Y172 PolarHBondContact NE2-OH 3.25Å; I157-Y172 WeakPolarHBondContact CA-O 3.46Å; R158-Y172 PolarHBondContact N-O 2.83Å; R158-Y172 PolarHBondContact O-N 2.83Å; C160-Y172 VanDerWaalsContact SG-CE2 3.54Å; Y172-V204 HydrophobicContact CD1-CG2 4.35Å; Y172-V204 HydrophobicContact CE1-CG2 4.19Å; Y172-L233 HydrophobicContact CD2-CD1 4.1Å; Y172-L233 HydrophobicContact CE2-CD1 4.07Å; Y172-L233 HydrophobicContact CE2-CD2 3.82Å; Y172-L233 HydrophobicContact CG-CD1 4.4Å
173	V	97.8	Very high	95	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124	-174.1	-167.8	0	0	0	0	110.8	V98 L99 L147 I154 V156 I157 V171 F175	V98-V173 CarbonylContact C-O 2.95Å; V98-V173 VanDerWaalsContact CA-O 3.25Å; V98-V173 WeakPolarHBondContact CA-O 3.5Å; V98-V173 WeakPolarHBondContact CB-O 3.29Å; L99-V173 HydrophobicContact CB-CB 4.26Å; L99-V173 PolarHBondContact N-O 3.26Å; L99-V173 PolarHBondContact O-N 2.93Å; L147-V173 HydrophobicContact CD1-CG1 4.29Å; L147-V173 HydrophobicContact CD1-CG2 3.82Å; I154-V173 HydrophobicContact CD1-CG1 3.89Å; I154-V173 HydrophobicContact CG1-CG1 3.91Å; I154-V173 HydrophobicContact CG2-CG1 4.03Å; V156-V173 CarbonylContact O-C 3.58Å; V156-V173 WeakPolarHBondContact O-CA 3.33Å; I157-V173 HydrophobicContact CD1-CG2 4.35Å; I157-V173 HydrophobicContact CG1-CG2 4.33Å; V171-V173 HydrophobicContact CG1-CG2 3.82Å; V173-F175 HydrophobicContact CB-CE2 4.32Å; V173-F175 HydrophobicContact CB-CZ 4.38Å; V173-F175 HydrophobicContact CG1-CD1 4.44Å; V173-F175 HydrophobicContact CG1-CD2 4.41Å; V173-F175 HydrophobicContact CG1-CE1 3.99Å; V173-F175 HydrophobicContact CG1-CE2 3.97Å; V173-F175 HydrophobicContact CG1-CZ 3.75Å
174	E	96	Very high	95.1	Very high	41 Å²	41	32.8 Å²	32.8	19%	0.192	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.5	170.4	-172.6	-166	128.2	0	0	108.6	V98 S155 V156 W210	V98-E174 HydrophobicContact CG1-CB 4Å; V98-E174 HydrophobicContact CG1-CG 4.49Å; S155-E174 WeakPolarHBondContact CA-O 3.02Å; S155-E174 WeakPolarHBondContact CB-O 3.38Å; S155-E174 WeakPolarHBondContact CB-OE1 3.22Å; S155-E174 PolarHBondContact N-O 2.98Å; S155-E174 PolarHBondContact OG-OE1 3.29Å; V156-E174 HydrophobicContact CB-CB 3.91Å; V156-E174 HydrophobicContact CG2-CB 4.17Å; V156-E174 WeakPolarHBondContact CG2-OE2 3.46Å; V156-E174 PolarHBondContact N-O 2.91Å; V156-E174 VanDerWaalsContact N-O 3.1Å; V156-E174 PolarHBondContact O-N 3.03Å; E174-W210 HydrophobicContact CB-CZ2 4.08Å; E174-W210 PolarHBondContact OE2-NE1 2.91Å
175	F	95.3	Very high	95.2	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	140.5	-179.4	-65.5	-82.4	0	0	0	111.5	L99 L147 W151 I154 V173 R177 G178 A181 A182 A185	L99-F175 HydrophobicContact CB-CE2 4.01Å; L99-F175 HydrophobicContact CD2-CE2 4.04Å; L99-F175 HydrophobicContact CD2-CZ 4.09Å; L147-F175 HydrophobicContact CD2-CZ 4.34Å; W151-F175 HydrophobicContact CB-CD1 3.85Å; W151-F175 HydrophobicContact CB-CE1 3.61Å; W151-F175 HydrophobicContact CB-CZ 4.24Å; W151-F175 HydrophobicContact CE3-CE1 4.49Å; W151-F175 HydrophobicContact CG-CE1 4.31Å; W151-F175 HydrophobicContact CG-CZ 4.5Å; I154-F175 HydrophobicContact CG1-CD1 4.2Å; I154-F175 HydrophobicContact CG1-CE1 4.17Å; V173-F175 HydrophobicContact CB-CE2 4.32Å; V173-F175 HydrophobicContact CB-CZ 4.38Å; V173-F175 HydrophobicContact CG1-CD1 4.44Å; V173-F175 HydrophobicContact CG1-CD2 4.41Å; V173-F175 HydrophobicContact CG1-CE1 3.99Å; V173-F175 HydrophobicContact CG1-CE2 3.97Å; V173-F175 HydrophobicContact CG1-CZ 3.75Å; F175-R177 PolarHBondContact O-N 3.13Å; F175-G178 PolarHBondContact O-N 3.44Å; F175-G178 VanDerWaalsContact O-N 3.09Å; F175-A181 HydrophobicContact CB-CB 3.72Å; F175-A181 HydrophobicContact CD2-CB 4.21Å; F175-A181 HydrophobicContact CG-CB 3.93Å; F175-A182 HydrophobicContact CD2-CB 4.09Å; F175-A182 HydrophobicContact CE2-CB 4.41Å; F175-A185 HydrophobicContact CE2-CB 3.78Å; F175-A185 HydrophobicContact CZ-CB 3.72Å
176	S	93.6	Very high	95.3	Very high	64 Å²	64	28 Å²	28	45%	0.448	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18	178	-48.6	0	0	0	0	113	K153 S155 G178	K153-S176 WeakPolarHBondContact O-CB 3.36Å; K153-S176 PolarHBondContact O-N 3.43Å; K153-S176 PolarHBondContact O-OG 3.31Å; S155-S176 PolarHBondContact N-OG 3.05Å; S176-G178 PolarHBondContact O-N 2.92Å
177	R	90	Very high	95.3	Very high	178 Å²	178	32.1 Å²	32.1	67%	0.672	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-4.4	174.8	-175	171.3	173.9	-162.6	-5.6	113.2	F175 A181	F175-R177 PolarHBondContact O-N 3.13Å; R177-A181 HydrophobicContact CB-CB 3.96Å; R177-A181 HydrophobicContact CG-CB 4.26Å
178	G	88.2	Confident	95.3	Very high	27 Å²	27	34.7 Å²	34.7	28%	0.278	19%	0.191	S	C	.	.			trans	88	-173.3	178.9	0	0	0	0	0	114.3	F175 S176 S180 A181	F175-G178 PolarHBondContact O-N 3.44Å; F175-G178 VanDerWaalsContact O-N 3.09Å; S176-G178 PolarHBondContact O-N 2.92Å; G178-S180 VanDerWaalsContact C-N 3.32Å; G178-S180 PolarHBondContact O-N 3.27Å; G178-A181 PolarHBondContact O-N 3Å
179	P	90.2	Very high	95.3	Very high	51 Å²	51	34 Å²	34	33%	0.331	19%	0.189	S	C	.	.	H	α-helix	trans	-57.1	-36.3	-168.5	-29.4	37.1	0	0	0	115.3	L97 A181 A182 W183	L97-P179 HydrophobicContact CB-CB 4.18Å; L97-P179 HydrophobicContact CB-CG 4.33Å; L97-P179 HydrophobicContact CD1-CB 3.67Å; L97-P179 HydrophobicContact CD1-CG 3.74Å; P179-A181 PolarHBondContact O-N 2.87Å; P179-A182 WeakPolarHBondContact O-CA 3.46Å; P179-A182 WeakPolarHBondContact O-CB 3.38Å; P179-A182 PolarHBondContact O-N 2.9Å; P179-W183 PolarHBondContact O-N 2.91Å; P179-W183 VanDerWaalsContact O-N 3.15Å
180	S	92.6	Very high	95.3	Very high	71 Å²	71	38.2 Å²	38.2	50%	0.497	21%	0.212	S	C	.	.	H	α-helix	trans	-56.5	-36.8	-179.7	-44.6	0	0	0	0	112.5	G178 A182 W183 D184	G178-S180 VanDerWaalsContact C-N 3.32Å; G178-S180 PolarHBondContact O-N 3.27Å; S180-A182 VanDerWaalsContact C-N 3.33Å; S180-A182 PolarHBondContact O-N 3.11Å; S180-W183 WeakPolarHBondContact O-CB 3.46Å; S180-W183 PolarHBondContact O-N 3.32Å; S180-D184 PolarHBondContact O-N 3.07Å
181	A	95	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.7	-29.3	177	0	0	0	0	0	112.8	F175 R177 G178 P179 A185	F175-A181 HydrophobicContact CB-CB 3.72Å; F175-A181 HydrophobicContact CD2-CB 4.21Å; F175-A181 HydrophobicContact CG-CB 3.93Å; R177-A181 HydrophobicContact CB-CB 3.96Å; R177-A181 HydrophobicContact CG-CB 4.26Å; G178-A181 PolarHBondContact O-N 3Å; P179-A181 PolarHBondContact O-N 2.87Å; A181-A185 WeakPolarHBondContact O-CB 3.3Å; A181-A185 PolarHBondContact O-N 3.49Å
182	A	96.2	Very high	95.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-69.5	-38.6	172.4	0	0	0	0	0	111.5	L99 F175 P179 S180 A186 V203	L99-A182 HydrophobicContact CB-CB 4.37Å; F175-A182 HydrophobicContact CD2-CB 4.09Å; F175-A182 HydrophobicContact CE2-CB 4.41Å; P179-A182 WeakPolarHBondContact O-CA 3.46Å; P179-A182 WeakPolarHBondContact O-CB 3.38Å; P179-A182 PolarHBondContact O-N 2.9Å; S180-A182 VanDerWaalsContact C-N 3.33Å; S180-A182 PolarHBondContact O-N 3.11Å; A182-A186 VanDerWaalsContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.5Å; A182-A186 PolarHBondContact O-N 3.07Å; A182-V203 HydrophobicContact CB-CG1 4.49Å; A182-V203 HydrophobicContact CB-CG2 4.44Å; A182-V203 WeakPolarHBondContact O-CG2 3.47Å
183	W	96.1	Very high	95	Very high	38 Å²	38	51.8 Å²	51.8	14%	0.144	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-51.7	173.2	-73.2	112.5	0	0	0	112.2	P67 S68 R69 D72 P179 S180 A185 A186 E187 V203	P67-W183 HydrophobicContact CB-CZ2 4.1Å; P67-W183 HydrophobicContact CG-CH2 4.3Å; P67-W183 HydrophobicContact CG-CZ2 3.98Å; P67-W183 VanDerWaalsContact O-CH2 3.24Å; P67-W183 WeakPolarHBondContact O-CH2 3.46Å; S68-W183 VanDerWaalsContact C-CZ2 3.43Å; R69-W183 HydrophobicContact CB-CD2 3.94Å; R69-W183 HydrophobicContact CB-CE3 4.2Å; R69-W183 HydrophobicContact CB-CG 4.38Å; R69-W183 HydrophobicContact CB-CZ2 4.27Å; R69-W183 HydrophobicContact CB-CZ3 4.49Å; R69-W183 HydrophobicContact CG-CB 4.38Å; R69-W183 HydrophobicContact CG-CD2 4.03Å; R69-W183 HydrophobicContact CG-CG 3.94Å; D72-W183 PolarHBondContact OD2-NE1 3.09Å; P179-W183 PolarHBondContact O-N 2.91Å; P179-W183 VanDerWaalsContact O-N 3.15Å; S180-W183 WeakPolarHBondContact O-CB 3.46Å; S180-W183 PolarHBondContact O-N 3.32Å; W183-A185 VanDerWaalsContact C-N 3.29Å; W183-A185 PolarHBondContact O-N 3.21Å; W183-A186 PolarHBondContact O-N 3.18Å; W183-A186 VanDerWaalsContact O-N 3.16Å; W183-E187 PolarHBondContact O-N 3.34Å; W183-V203 HydrophobicContact CD2-CB 4.14Å; W183-V203 HydrophobicContact CD2-CG1 4.31Å; W183-V203 HydrophobicContact CD2-CG2 3.7Å; W183-V203 HydrophobicContact CE3-CB 4.04Å; W183-V203 HydrophobicContact CE3-CG2 3.55Å; W183-V203 HydrophobicContact CG-CG2 4.2Å; W183-V203 HydrophobicContact CH2-CB 3.9Å; W183-V203 HydrophobicContact CH2-CG1 4.39Å; W183-V203 HydrophobicContact CH2-CG2 4.34Å; W183-V203 HydrophobicContact CZ2-CB 4.01Å; W183-V203 HydrophobicContact CZ2-CG1 4Å; W183-V203 HydrophobicContact CZ2-CG2 4.49Å; W183-V203 HydrophobicContact CZ3-CB 3.92Å; W183-V203 HydrophobicContact CZ3-CG2 3.9Å
184	D	96.3	Very high	94.9	Very high	48 Å²	48	54.2 Å²	54.2	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-58.6	-40.8	176.9	-63.7	-21.4	0	0	0	111.9	R69 S180 A188	R69-D184 IonicContact CZ-OD1 2.63Å; R69-D184 IonicContact NH1-OD1 3.15Å; R69-D184 PolarHBondContact NH1-OD1 2.99Å; R69-D184 IonicContact NH2-OD1 3.72Å; R69-D184 PolarHBondContact NH2-OD1 2.99Å; S180-D184 PolarHBondContact O-N 3.07Å; D184-A188 VanDerWaalsContact O-CB 3.27Å; D184-A188 WeakPolarHBondContact O-CB 3.32Å; D184-A188 PolarHBondContact O-N 2.95Å; D184-A188 VanDerWaalsContact O-N 3.07Å
185	A	97.1	Very high	94.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.3	-35.9	177.4	0	0	0	0	0	112.7	L99 W151 F175 A181 W183 C189	L99-A185 HydrophobicContact CD2-CB 3.8Å; W151-A185 HydrophobicContact CD2-CB 3.59Å; W151-A185 VanDerWaalsContact CE2-CA 3.47Å; W151-A185 HydrophobicContact CE3-CB 4.1Å; W151-A185 HydrophobicContact CG-CB 3.87Å; W151-A185 HydrophobicContact CZ2-CB 4.14Å; F175-A185 HydrophobicContact CE2-CB 3.78Å; F175-A185 HydrophobicContact CZ-CB 3.72Å; A181-A185 WeakPolarHBondContact O-CB 3.3Å; A181-A185 PolarHBondContact O-N 3.49Å; W183-A185 VanDerWaalsContact C-N 3.29Å; W183-A185 PolarHBondContact O-N 3.21Å; A185-C189 WeakPolarHBondContact O-CB 3.44Å; A185-C189 PolarHBondContact O-N 2.89Å
186	A	96.8	Very high	94.7	Very high	8 Å²	8	58.8 Å²	58.8	7%	0.066	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-50.8	174.5	0	0	0	0	0	110.8	L99 A182 W183 A188 C189 N190 C201 V203	L99-A186 HydrophobicContact CD1-CB 3.79Å; A182-A186 VanDerWaalsContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.5Å; A182-A186 PolarHBondContact O-N 3.07Å; W183-A186 PolarHBondContact O-N 3.18Å; W183-A186 VanDerWaalsContact O-N 3.16Å; A186-A188 PolarHBondContact O-N 3.07Å; A186-C189 PolarHBondContact O-N 3.29Å; A186-N190 WeakPolarHBondContact O-CB 3.36Å; A186-N190 PolarHBondContact O-N 2.93Å; A186-C201 HydrophobicContact CB-CB 4.47Å; A186-V203 HydrophobicContact CB-CG2 3.66Å
187	E	96.3	Very high	94.7	Very high	119 Å²	119	61 Å²	61	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-60.4	-45.7	179.8	-72.6	167.4	-165.4	0	0	112.1	R69 W183	R69-E187 IonicContact CZ-OE1 2.74Å; R69-E187 IonicContact NH1-OE1 3.2Å; R69-E187 PolarHBondContact NH1-OE1 3.32Å; R69-E187 IonicContact NH1-OE2 3.42Å; R69-E187 PolarHBondContact NH1-OE2 3.02Å; W183-E187 PolarHBondContact O-N 3.34Å
188	A	96.6	Very high	95.1	Very high	54 Å²	54	59 Å²	59	45%	0.446	33%	0.328	S	S	.	.	H	α-helix	trans	-77.9	-26.8	-177.8	0	0	0	0	0	114.5	W151 D184 A186 R192	W151-A188 HydrophobicContact CZ2-CB 3.86Å; D184-A188 VanDerWaalsContact O-CB 3.27Å; D184-A188 WeakPolarHBondContact O-CB 3.32Å; D184-A188 PolarHBondContact O-N 2.95Å; D184-A188 VanDerWaalsContact O-N 3.07Å; A186-A188 PolarHBondContact O-N 3.07Å; A188-R192 WeakPolarHBondContact O-CD 3.29Å; A188-R192 WeakPolarHBondContact O-CG 3.35Å
189	C	95.9	Very high	95.5	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.034	32%	0.319	C	S	.	.	H	α-helix	trans	-89.1	-24.9	175.3	-72.3	0	0	0	0	113.7	W151 A185 A186 G191 R192 C201	W151-C189 WeakPolarHBondContact CH2-SG 3.23Å; A185-C189 WeakPolarHBondContact O-CB 3.44Å; A185-C189 PolarHBondContact O-N 2.89Å; A186-C189 PolarHBondContact O-N 3.29Å; C189-G191 PolarHBondContact O-N 3.29Å; C189-G191 VanDerWaalsContact O-N 3.13Å; C189-R192 WeakPolarHBondContact O-CB 3.27Å; C189-R192 PolarHBondContact O-N 2.93Å; C189-C201 VanDerWaalsContact C-SG 3.59Å; C189-C201 HydrophobicContact CB-CB 4.46Å; C189-C201 WeakPolarHBondContact CB-SG 3.29Å
190	N	96.4	Very high	95.8	Very high	90 Å²	90	59.5 Å²	59.5	48%	0.481	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	120.1	-177.2	-165.9	38.1	0	0	0	110.5	A186 C201	A186-N190 WeakPolarHBondContact O-CB 3.36Å; A186-N190 PolarHBondContact O-N 2.93Å; N190-C201 HydrophobicContact CB-CB 3.99Å; N190-C201 PolarHBondContact OD1-N 3.45Å
191	G	95.8	Very high	96.1	Very high	22 Å²	22	56.5 Å²	56.5	23%	0.227	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	0.5	-178.5	0	0	0	0	0	117.1	C189 K198 L199	C189-G191 PolarHBondContact O-N 3.29Å; C189-G191 VanDerWaalsContact O-N 3.13Å; G191-K198 WeakPolarHBondContact O-CE 3.41Å; G191-L199 PolarHBondContact N-O 3.4Å
192	R	96.8	Very high	96.1	Very high	83 Å²	83	58.5 Å²	58.5	31%	0.313	32%	0.315	S	S	.	.			trans	-65.1	167.3	162.7	-70.3	-176	65	-160.2	-1.8	110.6	E146 A188 C189 K198 L199	E146-R192 IonicContact OE1-CZ 2.71Å; E146-R192 VanDerWaalsContact OE1-CZ 3.22Å; E146-R192 IonicContact OE1-NH1 3.13Å; E146-R192 PolarHBondContact OE1-NH1 3.01Å; E146-R192 IonicContact OE1-NH2 3.23Å; E146-R192 PolarHBondContact OE1-NH2 3.16Å; A188-R192 WeakPolarHBondContact O-CD 3.29Å; A188-R192 WeakPolarHBondContact O-CG 3.35Å; C189-R192 WeakPolarHBondContact O-CB 3.27Å; C189-R192 PolarHBondContact O-N 2.93Å; R192-K198 CarbonylContact O-C 3.6Å; R192-K198 WeakPolarHBondContact O-CA 3.5Å; R192-L199 HydrophobicContact CB-CD1 4.3Å; R192-L199 PolarHBondContact O-N 3.48Å
193	W	96.3	Very high	96.2	Very high	181 Å²	181	58.8 Å²	58.8	69%	0.686	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	142.5	178.9	-69.5	78	0	0	0	111.9	G196 R197	W193-G196 WeakPolarHBondContact CZ3-O 3.43Å; W193-R197 CarbonylContact C-O 3.51Å; W193-R197 WeakPolarHBondContact CA-O 3.07Å
194	F	95.4	Very high	96.1	Very high	50 Å²	50	57 Å²	57	22%	0.219	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	133.9	173.6	-175.3	-94.9	0	0	0	108.8	M104 F139 D142 V143 G196 R197 L199	M104-F194 HydrophobicContact CE-CD1 4.37Å; M104-F194 HydrophobicContact CE-CD2 4.02Å; M104-F194 HydrophobicContact CE-CE2 4.28Å; M104-F194 HydrophobicContact CE-CG 4.07Å; M104-F194 HydrophobicContact CG-CD1 4.29Å; F139-F194 AromaticContact CD2-CE1 3.78Å; F139-F194 HydrophobicContact CD2-CE1 3.78Å; F139-F194 AromaticContact CD2-CZ 3.75Å; F139-F194 HydrophobicContact CD2-CZ 3.75Å; F139-F194 AromaticContact CE2-CE1 3.62Å; F139-F194 HydrophobicContact CE2-CE1 3.62Å; F139-F194 AromaticContact CE2-CZ 3.83Å; F139-F194 HydrophobicContact CE2-CZ 3.83Å; D142-F194 WeakPolarHBondContact OD2-CE2 3.25Å; V143-F194 HydrophobicContact CG2-CE2 4.14Å; V143-F194 HydrophobicContact CG2-CZ 4.08Å; F194-G196 VanDerWaalsContact C-N 3.26Å; F194-G196 PolarHBondContact O-N 3.1Å; F194-G196 VanDerWaalsContact O-N 3.11Å; F194-R197 PolarHBondContact N-O 3.46Å; F194-R197 PolarHBondContact O-N 3.29Å; F194-R197 VanDerWaalsContact O-O 3.09Å; F194-L199 HydrophobicContact CB-CD1 4.37Å; F194-L199 HydrophobicContact CB-CD2 3.68Å; F194-L199 HydrophobicContact CB-CG 4.1Å
195	A	92.9	Very high	96.1	Very high	76 Å²	76	57.1 Å²	57.1	63%	0.628	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	45.1	179.3	0	0	0	0	0	114.6	R197	A195-R197 VanDerWaalsContact C-N 3.28Å; A195-R197 PolarHBondContact O-N 3.25Å
196	G	93.9	Very high	96	Very high	68 Å²	68	57.1 Å²	57.1	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	12.7	-179.4	0	0	0	0	0	115.6	W193 F194	W193-G196 WeakPolarHBondContact CZ3-O 3.43Å; F194-G196 VanDerWaalsContact C-N 3.26Å; F194-G196 PolarHBondContact O-N 3.1Å; F194-G196 VanDerWaalsContact O-N 3.11Å
197	R	94.8	Very high	95.8	Very high	111 Å²	111	57.5 Å²	57.5	42%	0.419	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.7	-178.5	-65.3	173	58	143.3	-7.9	111.7	W193 F194 A195	W193-R197 CarbonylContact C-O 3.51Å; W193-R197 WeakPolarHBondContact CA-O 3.07Å; F194-R197 PolarHBondContact N-O 3.46Å; F194-R197 PolarHBondContact O-N 3.29Å; F194-R197 VanDerWaalsContact O-O 3.09Å; A195-R197 VanDerWaalsContact C-N 3.28Å; A195-R197 PolarHBondContact O-N 3.25Å
198	K	96.8	Very high	95.4	Very high	137 Å²	137	52.1 Å²	52.1	60%	0.596	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.7	172.9	-171	171.9	-176.3	177.7	0	110.2	G191 R192	G191-K198 WeakPolarHBondContact O-CE 3.41Å; R192-K198 CarbonylContact O-C 3.6Å; R192-K198 WeakPolarHBondContact O-CA 3.5Å
199	L	97.5	Very high	95.3	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.089	27%	0.267	C	S	.	.			trans	-69.2	138.6	177.5	-64.8	-176.3	0	0	0	110.8	I101 M104 G191 R192 F194	I101-L199 HydrophobicContact CG2-CB 4.47Å; I101-L199 HydrophobicContact CG2-CD2 3.99Å; M104-L199 HydrophobicContact CE-CD1 4.38Å; M104-L199 HydrophobicContact CE-CD2 4.29Å; M104-L199 HydrophobicContact CG-CD2 3.87Å; G191-L199 PolarHBondContact N-O 3.4Å; R192-L199 HydrophobicContact CB-CD1 4.3Å; R192-L199 PolarHBondContact O-N 3.48Å; F194-L199 HydrophobicContact CB-CD1 4.37Å; F194-L199 HydrophobicContact CB-CD2 3.68Å; F194-L199 HydrophobicContact CB-CG 4.1Å
200	T	97.2	Very high	95.2	Very high	71 Å²	71	49.6 Å²	49.6	44%	0.436	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.7	169.2	-55.5	0	0	0	0	107.9	L102	L102-T200 HydrophobicContact CD1-CG2 4.03Å; L102-T200 PolarHBondContact N-O 3.06Å
201	C	97.4	Very high	95.1	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.054	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.2	-174.1	-57.8	0	0	0	0	110.3	L99 Q100 A186 C189 N190	L99-C201 HydrophobicContact CD1-CB 3.98Å; Q100-C201 WeakPolarHBondContact O-CA 3.3Å; A186-C201 HydrophobicContact CB-CB 4.47Å; C189-C201 VanDerWaalsContact C-SG 3.59Å; C189-C201 HydrophobicContact CB-CB 4.46Å; C189-C201 WeakPolarHBondContact CB-SG 3.29Å; N190-C201 HydrophobicContact CB-CB 3.99Å; N190-C201 PolarHBondContact OD1-N 3.45Å
202	T	96.1	Very high	95	Very high	42 Å²	42	52 Å²	52	26%	0.258	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.1	179.5	40.6	0	0	0	0	109.9	Q100	Q100-T202 WeakPolarHBondContact CB-O 3.11Å; Q100-T202 PolarHBondContact N-O 2.91Å; Q100-T202 PolarHBondContact O-N 2.58Å; Q100-T202 PolarHBondContact OE1-OG1 3.16Å
203	V	97	Very high	94.9	Very high	7 Å²	7	48 Å²	48	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.6	167.9	-176.6	0	0	0	0	108.7	P67 L97 A182 W183 A186	P67-V203 HydrophobicContact CG-CB 4.48Å; P67-V203 HydrophobicContact CG-CG1 4.06Å; L97-V203 HydrophobicContact CD2-CG1 4.14Å; A182-V203 HydrophobicContact CB-CG1 4.49Å; A182-V203 HydrophobicContact CB-CG2 4.44Å; A182-V203 WeakPolarHBondContact O-CG2 3.47Å; W183-V203 HydrophobicContact CD2-CB 4.14Å; W183-V203 HydrophobicContact CD2-CG1 4.31Å; W183-V203 HydrophobicContact CD2-CG2 3.7Å; W183-V203 HydrophobicContact CE3-CB 4.04Å; W183-V203 HydrophobicContact CE3-CG2 3.55Å; W183-V203 HydrophobicContact CG-CG2 4.2Å; W183-V203 HydrophobicContact CH2-CB 3.9Å; W183-V203 HydrophobicContact CH2-CG1 4.39Å; W183-V203 HydrophobicContact CH2-CG2 4.34Å; W183-V203 HydrophobicContact CZ2-CB 4.01Å; W183-V203 HydrophobicContact CZ2-CG1 4Å; W183-V203 HydrophobicContact CZ2-CG2 4.49Å; W183-V203 HydrophobicContact CZ3-CB 3.92Å; W183-V203 HydrophobicContact CZ3-CG2 3.9Å; A186-V203 HydrophobicContact CB-CG2 3.66Å
204	V	95.9	Very high	95	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.7	178.5	-61	0	0	0	0	110.5	V98 Q100 Y172	V98-V204 HydrophobicContact CG2-CG2 3.61Å; V98-V204 PolarHBondContact N-O 3.47Å; V98-V204 PolarHBondContact O-N 3.14Å; Q100-V204 HydrophobicContact CB-CG1 4.29Å; Q100-V204 HydrophobicContact CB-CG2 3.88Å; Y172-V204 HydrophobicContact CD1-CG2 4.35Å; Y172-V204 HydrophobicContact CE1-CG2 4.19Å
205	R	95.1	Very high	95	Very high	51 Å²	51	37.9 Å²	37.9	19%	0.192	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.2	174.9	-167	174.3	-81.4	-126.8	14.4	109.9	D72 E75 S95 C96 L97 G207	D72-R205 IonicContact OD1-CZ 3.43Å; D72-R205 IonicContact OD1-NH2 2.91Å; D72-R205 PolarHBondContact OD1-NH2 3.31Å; E75-R205 IonicContact OE1-CZ 3.14Å; E75-R205 IonicContact OE1-NH1 2.7Å; E75-R205 PolarHBondContact OE1-NH1 3.47Å; E75-R205 IonicContact OE1-NH2 2.9Å; E75-R205 IonicContact OE2-CZ 3.63Å; E75-R205 VanDerWaalsContact OE2-CZ 3.23Å; E75-R205 IonicContact OE2-NH1 3.22Å; E75-R205 PolarHBondContact OE2-NH1 2.87Å; E75-R205 IonicContact OE2-NH2 2.88Å; E75-R205 PolarHBondContact OE2-NH2 3.4Å; S95-R205 PolarHBondContact OG-NH1 3.48Å; C96-R205 CarbonylContact O-C 3.46Å; C96-R205 WeakPolarHBondContact O-CA 3.47Å; L97-R205 HydrophobicContact CD2-CB 3.74Å; L97-R205 HydrophobicContact CD2-CG 4.06Å; L97-R205 HydrophobicContact CG-CB 4.49Å; L97-R205 HydrophobicContact CG-CG 4.32Å; R205-G207 PolarHBondContact O-N 2.81Å
206	L	95.5	Very high	95	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	86.7	171.3	-57.1	-176.6	0	0	0	108	T51 S95 C96 V98 G208 G209 W210 A213	T51-L206 VanDerWaalsContact C-CD2 3.47Å; S95-L206 VanDerWaalsContact CA-O 3.3Å; S95-L206 WeakPolarHBondContact CA-O 3.47Å; C96-L206 PolarHBondContact N-O 3.16Å; C96-L206 PolarHBondContact O-N 2.97Å; V98-L206 HydrophobicContact CG1-CD1 4.2Å; V98-L206 HydrophobicContact CG2-CD1 4.08Å; V98-L206 HydrophobicContact CG2-CD2 4.34Å; V98-L206 HydrophobicContact CG2-CG 3.89Å; L206-G208 PolarHBondContact O-N 3.3Å; L206-G209 PolarHBondContact O-N 3.12Å; L206-W210 HydrophobicContact CD1-CD2 3.97Å; L206-W210 HydrophobicContact CD1-CE3 3.9Å; L206-W210 HydrophobicContact CD1-CH2 4.36Å; L206-W210 HydrophobicContact CD1-CZ2 4.37Å; L206-W210 HydrophobicContact CD1-CZ3 4.09Å; L206-A213 HydrophobicContact CD1-CB 4.08Å; L206-A213 HydrophobicContact CD2-CB 4.17Å
207	G	91.3	Very high	95	Very high	16 Å²	16	36.9 Å²	36.9	17%	0.165	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	15.3	-169.3	0	0	0	0	0	117.4	R49 R205	R49-G207 PolarHBondContact NH1-O 2.85Å; R49-G207 WeakPolarHBondContact O-CA 3.16Å; R49-G207 PolarHBondContact O-N 3.13Å; R205-G207 PolarHBondContact O-N 2.81Å
208	G	89.6	Confident	95	Very high	5 Å²	5	33 Å²	33	5%	0.052	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.4	21.5	168.2	0	0	0	0	0	111.5	L206 E212	L206-G208 PolarHBondContact O-N 3.3Å; G208-E212 WeakPolarHBondContact O-CG 3.44Å
209	G	92.9	Very high	94.8	Very high	2 Å²	2	29 Å²	29	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	65	-175.2	-174.4	0	0	0	0	0	114.2	N94 L206 R211 E212 A213	N94-G209 WeakPolarHBondContact O-CA 3.37Å; N94-G209 PolarHBondContact O-N 2.87Å; L206-G209 PolarHBondContact O-N 3.12Å; G209-R211 PolarHBondContact O-N 3.28Å; G209-E212 PolarHBondContact O-N 3.27Å; G209-E212 VanDerWaalsContact O-N 3.14Å; G209-A213 PolarHBondContact O-N 3.43Å
210	W	94.7	Very high	94.6	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-55.5	-33.5	179.1	-67.6	100.8	0	0	0	113.9	V98 V156 R158 E174 L206 E212 A213 I214 L250	V98-W210 HydrophobicContact CG1-CH2 4.38Å; V98-W210 HydrophobicContact CG1-CZ2 3.77Å; V156-W210 HydrophobicContact CB-CH2 4.37Å; V156-W210 HydrophobicContact CB-CZ2 3.58Å; V156-W210 HydrophobicContact CG1-CD2 4.04Å; V156-W210 HydrophobicContact CG1-CE3 4.43Å; V156-W210 HydrophobicContact CG1-CH2 3.86Å; V156-W210 HydrophobicContact CG1-CZ2 3.44Å; V156-W210 VanDerWaalsContact CG1-CZ2 3.44Å; V156-W210 HydrophobicContact CG1-CZ3 4.36Å; V156-W210 HydrophobicContact CG2-CZ2 4.31Å; R158-W210 HydrophobicContact CB-CH2 4.14Å; R158-W210 HydrophobicContact CB-CZ3 3.71Å; R158-W210 HydrophobicContact CG-CE3 3.94Å; R158-W210 HydrophobicContact CG-CH2 3.91Å; R158-W210 HydrophobicContact CG-CZ3 3.45Å; R158-W210 VanDerWaalsContact CG-CZ3 3.45Å; E174-W210 HydrophobicContact CB-CZ2 4.08Å; E174-W210 PolarHBondContact OE2-NE1 2.91Å; L206-W210 HydrophobicContact CD1-CD2 3.97Å; L206-W210 HydrophobicContact CD1-CE3 3.9Å; L206-W210 HydrophobicContact CD1-CH2 4.36Å; L206-W210 HydrophobicContact CD1-CZ2 4.37Å; L206-W210 HydrophobicContact CD1-CZ3 4.09Å; W210-E212 PolarHBondContact O-N 3.03Å; W210-A213 PolarHBondContact O-N 3.48Å; W210-I214 HydrophobicContact CB-CD1 4.37Å; W210-I214 HydrophobicContact CE3-CD1 3.92Å; W210-I214 WeakPolarHBondContact O-CB 3.35Å; W210-I214 PolarHBondContact O-N 2.88Å; W210-L250 HydrophobicContact CB-CD2 3.85Å
211	R	93.3	Very high	94.2	Very high	109 Å²	109	34.5 Å²	34.5	41%	0.411	20%	0.196	S	C	.	.	H	α-helix	trans	-62.4	-38.3	178.9	-172.1	-168.9	70.8	164.5	0.3	112.8	G209 L250 H253	G209-R211 PolarHBondContact O-N 3.28Å; R211-L250 WeakPolarHBondContact CB-O 3.27Å; R211-L250 VanDerWaalsContact CD-O 3.25Å; R211-L250 WeakPolarHBondContact CD-O 3.39Å; R211-L250 WeakPolarHBondContact CG-O 3.39Å; R211-H253 PolarHBondContact NH1-CE1 2.8Å; R211-H253 PolarHBondContact NH1-NE2 3.28Å; R211-H253 PolarHBondContact NH2-CE1 3.5Å
212	E	93.6	Very high	94.1	Very high	53 Å²	53	41.3 Å²	41.3	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-85.5	-22.3	176.7	-71.8	-163.3	-165.9	0	0	113.6	R49 K50 G208 G209 W210 F232	R49-E212 IonicContact NH2-OE2 3.72Å; K50-E212 HydrophobicContact CG-CB 4.41Å; K50-E212 IonicContact NZ-OE2 3.56Å; K50-E212 PolarHBondContact NZ-OE2 3.49Å; G208-E212 WeakPolarHBondContact O-CG 3.44Å; G209-E212 PolarHBondContact O-N 3.27Å; G209-E212 VanDerWaalsContact O-N 3.14Å; W210-E212 PolarHBondContact O-N 3.03Å; E212-F232 WeakPolarHBondContact O-CD1 3.47Å; E212-F232 WeakPolarHBondContact O-CE1 3.38Å
213	A	96.4	Very high	94	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-74.4	-44.7	176.1	0	0	0	0	0	112.3	K50 L206 G209 W210 L233	K50-A213 WeakPolarHBondContact O-CA 3.46Å; K50-A213 VanDerWaalsContact O-CB 3.29Å; K50-A213 WeakPolarHBondContact O-CB 3.44Å; L206-A213 HydrophobicContact CD1-CB 4.08Å; L206-A213 HydrophobicContact CD2-CB 4.17Å; G209-A213 PolarHBondContact O-N 3.43Å; W210-A213 PolarHBondContact O-N 3.48Å; A213-L233 HydrophobicContact CB-CD1 3.88Å; A213-L233 HydrophobicContact CB-CG 4.2Å; A213-L233 WeakPolarHBondContact O-CG 3.3Å; A213-L233 PolarHBondContact O-N 2.85Å
214	I	96.9	Very high	93.9	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-84.6	140.3	-171	-67.6	164.3	0	0	0	112.2	R158 W210 G216 L233 V235 L250	R158-I214 HydrophobicContact CG-CD1 4.44Å; W210-I214 HydrophobicContact CB-CD1 4.37Å; W210-I214 HydrophobicContact CE3-CD1 3.92Å; W210-I214 WeakPolarHBondContact O-CB 3.35Å; W210-I214 PolarHBondContact O-N 2.88Å; I214-G216 PolarHBondContact O-N 2.71Å; I214-L233 HydrophobicContact CG1-CB 4.05Å; I214-L233 HydrophobicContact CG1-CD1 4.32Å; I214-V235 HydrophobicContact CD1-CG1 4.12Å; I214-V235 HydrophobicContact CG1-CG1 3.94Å; I214-V235 HydrophobicContact CG2-CG2 4.29Å; I214-L250 HydrophobicContact CB-CD1 4.05Å; I214-L250 HydrophobicContact CB-CD2 4.45Å; I214-L250 HydrophobicContact CD1-CD1 4.36Å; I214-L250 HydrophobicContact CD1-CD2 3.77Å; I214-L250 HydrophobicContact CG2-CD1 3.75Å
215	C	96.5	Very high	93.9	Very high	12 Å²	12	50.5 Å²	50.5	8%	0.081	27%	0.274	C	S	.	.			trans	-73.4	98.4	177	-172.9	0	0	0	0	111.6	L217 Y218 F232 L233 H234	C215-L217 PolarHBondContact O-N 3.23Å; C215-Y218 WeakPolarHBondContact O-CB 3.47Å; C215-Y218 PolarHBondContact O-N 3.34Å; C215-F232 HydrophobicContact CB-CB 3.82Å; C215-L233 PolarHBondContact N-O 2.72Å; C215-H234 VanDerWaalsContact CB-CD2 3.41Å; C215-H234 WeakPolarHBondContact CB-CD2 3.34Å
216	G	93.1	Very high	93.8	Very high	52 Å²	52	49.6 Å²	49.6	54%	0.536	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	0.2	177.4	0	0	0	0	0	116.7	I214	I214-G216 PolarHBondContact O-N 2.71Å
217	L	93.9	Very high	93.6	Very high	71 Å²	71	51.9 Å²	51.9	37%	0.372	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-9.4	174.1	-61.7	-179	0	0	0	113.8	C215 R220 K222 C223	C215-L217 PolarHBondContact O-N 3.23Å; L217-R220 PolarHBondContact O-N 3.45Å; L217-K222 CarbonylContact O-C 3.59Å; L217-K222 PolarHBondContact O-N 3.13Å; L217-K222 VanDerWaalsContact O-N 3.08Å; L217-C223 HydrophobicContact CB-CB 4.43Å; L217-C223 PolarHBondContact O-N 3.16Å
218	Y	95.3	Very high	93.7	Very high	30 Å²	30	55 Å²	55	12%	0.118	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-66.1	-62.2	-172.4	179.4	-120.8	0	0	0	112.7	R161 C215 R220 G221 D227 H234	R161-Y218 HydrophobicContact CB-CE1 4.49Å; R161-Y218 WeakPolarHBondContact CD-OH 3.49Å; R161-Y218 WeakPolarHBondContact CG-OH 3.32Å; C215-Y218 WeakPolarHBondContact O-CB 3.47Å; C215-Y218 PolarHBondContact O-N 3.34Å; Y218-R220 PolarHBondContact O-N 2.88Å; Y218-G221 PolarHBondContact O-N 3.39Å; Y218-D227 WeakPolarHBondContact CE2-OD1 3.4Å; Y218-D227 PolarHBondContact OH-OD1 2.9Å; Y218-H234 HydrophobicContact CD1-CB 3.71Å; Y218-H234 HydrophobicContact CD2-CB 3.97Å; Y218-H234 AromaticContact CD2-CD2 3.91Å; Y218-H234 AromaticContact CD2-CE1 3.43Å; Y218-H234 VanDerWaalsContact CD2-CE1 3.43Å; Y218-H234 WeakPolarHBondContact CD2-CE1 3.33Å; Y218-H234 AromaticContact CD2-CG 3.44Å; Y218-H234 VanDerWaalsContact CD2-CG 3.44Å; Y218-H234 AromaticContact CD2-ND1 3.12Å; Y218-H234 WeakPolarHBondContact CD2-ND1 3.48Å; Y218-H234 AromaticContact CD2-NE2 3.9Å; Y218-H234 HydrophobicContact CE1-CB 3.79Å; Y218-H234 HydrophobicContact CE2-CB 4.05Å; Y218-H234 AromaticContact CE2-CE1 3.94Å; Y218-H234 AromaticContact CE2-CG 3.81Å; Y218-H234 AromaticContact CE2-ND1 3.29Å; Y218-H234 VanDerWaalsContact CE2-ND1 3.29Å; Y218-H234 WeakPolarHBondContact CE2-ND1 3.3Å; Y218-H234 HydrophobicContact CG-CB 3.79Å; Y218-H234 AromaticContact CG-CD2 3.85Å; Y218-H234 AromaticContact CG-CG 3.55Å; Y218-H234 AromaticContact CG-ND1 3.76Å
219	H	92	Very high	94	Very high	53 Å²	53	60.7 Å²	60.7	25%	0.245	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-67.5	3.4	179	-58.7	-82.4	0	0	0	114.8	V235 S243 L246	H219-V235 PolarHBondContact CE1-O 2.94Å; H219-V235 WeakPolarHBondContact NE2-CG2 3.29Å; H219-V235 PolarHBondContact NE2-O 2.94Å; H219-S243 WeakPolarHBondContact CB-OG 3.15Å; H219-S243 PolarHBondContact O-OG 3.49Å; H219-L246 VanDerWaalsContact CD2-CD2 3.41Å; H219-L246 WeakPolarHBondContact CD2-CD2 3.45Å; H219-L246 VanDerWaalsContact NE2-CD2 3.27Å; H219-L246 WeakPolarHBondContact NE2-CD2 3.43Å
220	R	91.9	Very high	94.1	Very high	127 Å²	127	60.7 Å²	60.7	48%	0.479	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-99.9	0.6	170.8	-63.4	176.7	174.7	174.1	-3.2	112.5	L217 Y218 K222	L217-R220 PolarHBondContact O-N 3.45Å; Y218-R220 PolarHBondContact O-N 2.88Å; R220-K222 HydrophobicContact CB-CB 4.37Å; R220-K222 HydrophobicContact CB-CD 4.41Å; R220-K222 WeakPolarHBondContact O-CG 3.44Å; R220-K222 PolarHBondContact O-N 3.08Å
221	G	90.8	Very high	94.3	Very high	76 Å²	76	61 Å²	61	78%	0.784	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	21.3	-174.3	0	0	0	0	0	113.8	Y218	Y218-G221 PolarHBondContact O-N 3.39Å
222	K	93.7	Very high	94.5	Very high	150 Å²	150	58.4 Å²	58.4	65%	0.652	32%	0.324	S	S	*	.			trans	-125.1	16.5	-165.5	-74.5	172.8	-173	-177	0	114	L217 R220 P224	L217-K222 CarbonylContact O-C 3.59Å; L217-K222 PolarHBondContact O-N 3.13Å; L217-K222 VanDerWaalsContact O-N 3.08Å; R220-K222 HydrophobicContact CB-CB 4.37Å; R220-K222 HydrophobicContact CB-CD 4.41Å; R220-K222 WeakPolarHBondContact O-CG 3.44Å; R220-K222 PolarHBondContact O-N 3.08Å; K222-P224 WeakPolarHBondContact O-CD 3.48Å
223	C	95.6	Very high	94.7	Very high	21 Å²	21	55.9 Å²	55.9	14%	0.142	31%	0.312	C	S	.	.			trans	-73.4	110.8	175.8	-177.3	0	0	0	0	110.5	L217 K225 G226 H234	L217-C223 HydrophobicContact CB-CB 4.43Å; L217-C223 PolarHBondContact O-N 3.16Å; C223-K225 PolarHBondContact O-N 3.36Å; C223-K225 VanDerWaalsContact O-N 3.08Å; C223-G226 PolarHBondContact O-N 3.47Å; C223-H234 PolarHBondContact SG-NE2 3.49Å
224	P	94.9	Very high	94.7	Very high	117 Å²	117	55.9 Å²	55.9	76%	0.76	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.2	-174.8	31.8	-37.4	0	0	0	113.5	K222	K222-P224 WeakPolarHBondContact O-CD 3.48Å
225	K	94.3	Very high	94.8	Very high	104 Å²	104	55.6 Å²	55.6	45%	0.452	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-13.3	177.7	-61.3	-176.9	-179.8	-64.7	0	113	C223 H229 C230	C223-K225 PolarHBondContact O-N 3.36Å; C223-K225 VanDerWaalsContact O-N 3.08Å; K225-H229 HydrophobicContact CB-CB 4.4Å; K225-H229 WeakPolarHBondContact O-CB 3.47Å; K225-H229 PolarHBondContact O-N 2.71Å; K225-C230 HydrophobicContact CB-CB 3.98Å
226	G	92.8	Very high	94.8	Very high	32 Å²	32	55.1 Å²	55.1	33%	0.33	31%	0.307	S	S	.	.	H	α-helix	trans	58.5	-176.9	-168.7	0	0	0	0	0	113.2	C223 L228 C230 H234	C223-G226 PolarHBondContact O-N 3.47Å; G226-L228 VanDerWaalsContact C-N 3.32Å; G226-L228 PolarHBondContact O-N 3Å; G226-C230 VanDerWaalsContact O-CB 3.31Å; G226-C230 WeakPolarHBondContact O-CB 3.21Å; G226-C230 PolarHBondContact O-N 2.89Å; G226-H234 PolarHBondContact O-CE1 3.24Å
227	D	92.4	Very high	94.9	Very high	48 Å²	48	55.1 Å²	55.1	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-71.5	-25.2	-178.5	-64.1	-65.3	0	0	0	113.9	L163 A164 Y218 H234	L163-D227 HydrophobicContact CB-CB 3.95Å; L163-D227 HydrophobicContact CD1-CB 4.01Å; L163-D227 HydrophobicContact CG-CB 3.66Å; L163-D227 PolarHBondContact N-O 3.2Å; A164-D227 PolarHBondContact N-O 3.32Å; Y218-D227 WeakPolarHBondContact CE2-OD1 3.4Å; Y218-D227 PolarHBondContact OH-OD1 2.9Å; D227-H234 IonicContact OD1-CE1 2.82Å; D227-H234 IonicContact OD1-CG 2.73Å; D227-H234 IonicContact OD1-ND1 3.94Å; D227-H234 PolarHBondContact OD1-ND1 3.43Å
228	L	93.4	Very high	95	Very high	82 Å²	82	52.5 Å²	52.5	43%	0.429	28%	0.281	S	S	.	.	H	α-helix	trans	-78.6	-31.5	-175	-173.6	57.3	0	0	0	113.7	T113 L163 A164 G226	T113-L228 HydrophobicContact CG2-CD1 3.43Å; T113-L228 VanDerWaalsContact CG2-CD1 3.43Å; L163-L228 HydrophobicContact CB-CD1 4.37Å; A164-L228 WeakPolarHBondContact CB-O 3.25Å; G226-L228 VanDerWaalsContact C-N 3.32Å; G226-L228 PolarHBondContact O-N 3Å
229	H	94.9	Very high	95	Very high	125 Å²	125	52.9 Å²	52.9	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-120.5	0.8	-172.4	-47.8	104	0	0	0	114.4	K225	K225-H229 HydrophobicContact CB-CB 4.4Å; K225-H229 WeakPolarHBondContact O-CB 3.47Å; K225-H229 PolarHBondContact O-N 2.71Å
230	C	97	Very high	95	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.014	32%	0.315	C	S	.	.			trans	-74.2	128.4	173.4	-162.5	0	0	0	0	110.9	N162 K225 G226 F232 H234	N162-C230 PolarHBondContact ND2-O 3.14Å; K225-C230 HydrophobicContact CB-CB 3.98Å; G226-C230 VanDerWaalsContact O-CB 3.31Å; G226-C230 WeakPolarHBondContact O-CB 3.21Å; G226-C230 PolarHBondContact O-N 2.89Å; C230-F232 PolarHBondContact SG-N 3.09Å; C230-H234 WeakPolarHBondContact CB-NE2 3.48Å; C230-H234 PolarHBondContact SG-NE2 2.92Å
231	N	97.4	Very high	95	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.048	30%	0.295	C	S	.	.			trans	-95.3	5	175.8	-56.8	-26.3	0	0	0	112.4	F47 T51	F47-N231 HydrophobicContact CD1-CB 3.46Å; F47-N231 VanDerWaalsContact CD1-CB 3.46Å; F47-N231 HydrophobicContact CE1-CB 3.6Å; F47-N231 WeakPolarHBondContact CE1-ND2 3.16Å; F47-N231 HydrophobicContact CG-CB 4.12Å; F47-N231 HydrophobicContact CZ-CB 4.35Å; F47-N231 VanDerWaalsContact CZ-ND2 3.27Å; F47-N231 WeakPolarHBondContact CZ-ND2 3.22Å; T51-N231 WeakPolarHBondContact CG2-O 3.33Å
232	F	97.8	Very high	95.1	Very high	56 Å²	56	48.3 Å²	48.3	25%	0.246	28%	0.278	C	S	.	.	S	Bend	trans	-104.9	153.7	173.5	-67.1	-80	0	0	0	109.4	F47 K50 T51 N162 E212 C215 C230 H234	F47-F232 HydrophobicContact CE1-CE2 4.49Å; K50-F232 HydrophobicContact CD-CE1 4.06Å; T51-F232 HydrophobicContact CG2-CD1 4.28Å; N162-F232 PolarHBondContact ND2-O 3.18Å; E212-F232 WeakPolarHBondContact O-CD1 3.47Å; E212-F232 WeakPolarHBondContact O-CE1 3.38Å; C215-F232 HydrophobicContact CB-CB 3.82Å; C230-F232 PolarHBondContact SG-N 3.09Å; F232-H234 PolarHBondContact O-N 2.72Å; F232-H234 VanDerWaalsContact O-N 3.09Å
233	L	98	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-66	113.4	-176.3	-46.8	-174.6	0	0	0	109.5	T51 L167 Y172 A213 I214 C215 V235	T51-L233 HydrophobicContact CG2-CD2 4.31Å; T51-L233 HydrophobicContact CG2-CG 4.45Å; L167-L233 HydrophobicContact CD1-CD2 4.21Å; L167-L233 HydrophobicContact CD2-CD2 3.42Å; L167-L233 VanDerWaalsContact CD2-CD2 3.42Å; L167-L233 HydrophobicContact CG-CD2 4.4Å; Y172-L233 HydrophobicContact CD2-CD1 4.1Å; Y172-L233 HydrophobicContact CE2-CD1 4.07Å; Y172-L233 HydrophobicContact CE2-CD2 3.82Å; Y172-L233 HydrophobicContact CG-CD1 4.4Å; A213-L233 HydrophobicContact CB-CD1 3.88Å; A213-L233 HydrophobicContact CB-CG 4.2Å; A213-L233 WeakPolarHBondContact O-CG 3.3Å; A213-L233 PolarHBondContact O-N 2.85Å; I214-L233 HydrophobicContact CG1-CB 4.05Å; I214-L233 HydrophobicContact CG1-CD1 4.32Å; C215-L233 PolarHBondContact N-O 2.72Å; L233-V235 HydrophobicContact CB-CG1 3.99Å
234	H	97.3	Very high	94.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.278	C	S	.	.			trans	-86.7	107.3	161.3	-71.1	-166.6	0	0	0	104.9	C160 R161 N162 C215 Y218 C223 G226 D227 C230 F232	C160-H234 CarbonylContact C-O 3.5Å; C160-H234 VanDerWaalsContact CA-O 3.3Å; C160-H234 WeakPolarHBondContact CA-O 3.29Å; R161-H234 PolarHBondContact N-O 3.46Å; N162-H234 PolarHBondContact OD1-N 3.35Å; N162-H234 PolarHBondContact OD1-O 2.95Å; C215-H234 VanDerWaalsContact CB-CD2 3.41Å; C215-H234 WeakPolarHBondContact CB-CD2 3.34Å; Y218-H234 HydrophobicContact CD1-CB 3.71Å; Y218-H234 HydrophobicContact CD2-CB 3.97Å; Y218-H234 AromaticContact CD2-CD2 3.91Å; Y218-H234 AromaticContact CD2-CE1 3.43Å; Y218-H234 VanDerWaalsContact CD2-CE1 3.43Å; Y218-H234 WeakPolarHBondContact CD2-CE1 3.33Å; Y218-H234 AromaticContact CD2-CG 3.44Å; Y218-H234 VanDerWaalsContact CD2-CG 3.44Å; Y218-H234 AromaticContact CD2-ND1 3.12Å; Y218-H234 WeakPolarHBondContact CD2-ND1 3.48Å; Y218-H234 AromaticContact CD2-NE2 3.9Å; Y218-H234 HydrophobicContact CE1-CB 3.79Å; Y218-H234 HydrophobicContact CE2-CB 4.05Å; Y218-H234 AromaticContact CE2-CE1 3.94Å; Y218-H234 AromaticContact CE2-CG 3.81Å; Y218-H234 AromaticContact CE2-ND1 3.29Å; Y218-H234 VanDerWaalsContact CE2-ND1 3.29Å; Y218-H234 WeakPolarHBondContact CE2-ND1 3.3Å; Y218-H234 HydrophobicContact CG-CB 3.79Å; Y218-H234 AromaticContact CG-CD2 3.85Å; Y218-H234 AromaticContact CG-CG 3.55Å; Y218-H234 AromaticContact CG-ND1 3.76Å; C223-H234 PolarHBondContact SG-NE2 3.49Å; G226-H234 PolarHBondContact O-CE1 3.24Å; D227-H234 IonicContact OD1-CE1 2.82Å; D227-H234 IonicContact OD1-CG 2.73Å; D227-H234 IonicContact OD1-ND1 3.94Å; D227-H234 PolarHBondContact OD1-ND1 3.43Å; C230-H234 WeakPolarHBondContact CB-NE2 3.48Å; C230-H234 PolarHBondContact SG-NE2 2.92Å; F232-H234 PolarHBondContact O-N 2.72Å; F232-H234 VanDerWaalsContact O-N 3.09Å
235	V	97.2	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-94.5	153.6	-175.5	-61.5	0	0	0	0	110.6	R158 T159 I214 H219 L233 L246	R158-V235 HydrophobicContact CB-CG1 3.99Å; R158-V235 HydrophobicContact CG-CG1 4.41Å; T159-V235 CarbonylContact O-C 3.59Å; T159-V235 VanDerWaalsContact O-CA 3.29Å; T159-V235 WeakPolarHBondContact O-CA 3.45Å; I214-V235 HydrophobicContact CD1-CG1 4.12Å; I214-V235 HydrophobicContact CG1-CG1 3.94Å; I214-V235 HydrophobicContact CG2-CG2 4.29Å; H219-V235 PolarHBondContact CE1-O 2.94Å; H219-V235 WeakPolarHBondContact NE2-CG2 3.29Å; H219-V235 PolarHBondContact NE2-O 2.94Å; L233-V235 HydrophobicContact CB-CG1 3.99Å; V235-L246 HydrophobicContact CG2-CD2 3.68Å
236	F	97.1	Very high	94.5	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-69.9	151.2	156.3	-69.6	-92.2	0	0	0	109.2	F105 L110 L132 L133 Y136 T159 R161	F105-F236 AromaticContact CD1-CE2 3.84Å; F105-F236 HydrophobicContact CD1-CE2 3.84Å; F105-F236 HydrophobicContact CD1-CZ 4.1Å; F105-F236 HydrophobicContact CE1-CE1 4.39Å; F105-F236 AromaticContact CE1-CE2 3.84Å; F105-F236 HydrophobicContact CE1-CE2 3.84Å; F105-F236 AromaticContact CE1-CZ 3.61Å; F105-F236 HydrophobicContact CE1-CZ 3.61Å; L110-F236 HydrophobicContact CD1-CE2 4.37Å; L110-F236 HydrophobicContact CD1-CZ 4.27Å; L110-F236 HydrophobicContact CD2-CZ 4.41Å; L132-F236 HydrophobicContact CD1-CE1 4.16Å; L132-F236 HydrophobicContact CD1-CZ 4.07Å; L132-F236 HydrophobicContact CD2-CE1 4.43Å; L132-F236 HydrophobicContact CG-CE1 4.18Å; L133-F236 HydrophobicContact CD2-CD1 4.27Å; Y136-F236 HydrophobicContact CD1-CB 3.77Å; Y136-F236 AromaticContact CD1-CD1 3.72Å; Y136-F236 HydrophobicContact CD1-CD1 3.72Å; Y136-F236 AromaticContact CD1-CG 3.86Å; Y136-F236 HydrophobicContact CD1-CG 3.86Å; Y136-F236 HydrophobicContact CD2-CB 4.19Å; Y136-F236 HydrophobicContact CD2-CD1 4.11Å; Y136-F236 AromaticContact CD2-CD2 3.92Å; Y136-F236 HydrophobicContact CD2-CD2 3.92Å; Y136-F236 HydrophobicContact CD2-CE1 4.49Å; Y136-F236 HydrophobicContact CD2-CE2 4.32Å; Y136-F236 AromaticContact CD2-CG 3.82Å; Y136-F236 HydrophobicContact CD2-CG 3.82Å; Y136-F236 HydrophobicContact CE1-CB 3.33Å; Y136-F236 HydrophobicContact CE1-CD1 4.22Å; Y136-F236 AromaticContact CE1-CG 3.93Å; Y136-F236 HydrophobicContact CE1-CG 3.93Å; Y136-F236 HydrophobicContact CE2-CB 3.8Å; Y136-F236 AromaticContact CE2-CD2 3.98Å; Y136-F236 HydrophobicContact CE2-CD2 3.98Å; Y136-F236 AromaticContact CE2-CG 3.89Å; Y136-F236 HydrophobicContact CE2-CG 3.89Å; Y136-F236 HydrophobicContact CG-CB 4.18Å; Y136-F236 AromaticContact CG-CD1 3.67Å; Y136-F236 HydrophobicContact CG-CD1 3.67Å; Y136-F236 HydrophobicContact CG-CD2 4.33Å; Y136-F236 HydrophobicContact CG-CE1 4.09Å; Y136-F236 AromaticContact CG-CG 3.82Å; Y136-F236 HydrophobicContact CG-CG 3.82Å; Y136-F236 AromaticContact CZ-CG 3.93Å; T159-F236 HydrophobicContact CG2-CD2 4.07Å; T159-F236 HydrophobicContact CG2-CE2 4.37Å; T159-F236 PolarHBondContact O-N 2.72Å; R161-F236 VanDerWaalsContact CA-CE2 3.47Å; R161-F236 HydrophobicContact CB-CD1 4.43Å; R161-F236 HydrophobicContact CB-CD2 3.76Å; R161-F236 HydrophobicContact CB-CE1 4.22Å; R161-F236 HydrophobicContact CB-CE2 3.5Å; R161-F236 HydrophobicContact CB-CG 4.2Å; R161-F236 HydrophobicContact CB-CZ 3.74Å; R161-F236 HydrophobicContact CG-CD1 4.43Å; R161-F236 HydrophobicContact CG-CD2 4.47Å; R161-F236 HydrophobicContact CG-CE1 3.89Å; R161-F236 HydrophobicContact CG-CE2 3.92Å; R161-F236 HydrophobicContact CG-CZ 3.58Å
237	L	95.9	Very high	94.3	Very high	51 Å²	51	40.8 Å²	40.8	27%	0.267	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-76.9	133.4	164.4	-63.3	176.5	0	0	0	107.3	Y136 E241 L246	Y136-L237 WeakPolarHBondContact CE1-O 3.06Å; L237-E241 HydrophobicContact CD2-CG 4.35Å; L237-L246 HydrophobicContact CD2-CB 4.07Å; L237-L246 HydrophobicContact CD2-CD2 3.71Å
238	N	95.3	Very high	94.1	Very high	16 Å²	16	43.7 Å²	43.7	9%	0.086	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-68.2	154.9	178.3	-66.3	-13.3	0	0	0	109.8	Y136 Y140 I157 G240 E241	Y136-N238 PolarHBondContact OH-OD1 2.89Å; Y140-N238 HydrophobicContact CE2-CB 3.78Å; Y140-N238 VanDerWaalsContact CE2-OD1 3.28Å; Y140-N238 WeakPolarHBondContact CE2-OD1 3.47Å; Y140-N238 PolarHBondContact OH-ND2 2.82Å; I157-N238 PolarHBondContact O-ND2 3.44Å; I157-N238 PolarHBondContact O-OD1 3.44Å; N238-G240 PolarHBondContact O-N 3.3Å; N238-G240 VanDerWaalsContact O-N 3.15Å; N238-E241 HydrophobicContact CB-CB 4.36Å; N238-E241 WeakPolarHBondContact CB-OE2 3.12Å; N238-E241 PolarHBondContact N-OE2 3.04Å; N238-E241 VanDerWaalsContact O-CB 3.26Å; N238-E241 WeakPolarHBondContact O-CB 3.43Å; N238-E241 PolarHBondContact O-N 3.37Å
239	P	94.8	Very high	93.8	Very high	38 Å²	38	39.9 Å²	39.9	25%	0.247	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	123	174.6	-28.1	34.7	0	0	0	112.2	H137 Y140	H137-P239 HydrophobicContact CB-CG 4.37Å; Y140-P239 HydrophobicContact CD1-CG 3.58Å; Y140-P239 HydrophobicContact CE1-CG 4.13Å; Y140-P239 HydrophobicContact CG-CG 3.95Å
240	G	91.9	Very high	93.4	Very high	81 Å²	81	34.8 Å²	34.8	84%	0.835	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-2.2	-177.1	0	0	0	0	0	116.3	N238	N238-G240 PolarHBondContact O-N 3.3Å; N238-G240 VanDerWaalsContact O-N 3.15Å
241	E	92.4	Very high	92.8	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	24%	0.239	C	C	.	.			trans	-93.2	136.6	177.6	179.5	171	-145.3	0	0	112.5	R158 L237 N238 L246 L257	R158-E241 IonicContact CZ-OE1 3.34Å; R158-E241 IonicContact CZ-OE2 2.71Å; R158-E241 VanDerWaalsContact NH1-CD 3.3Å; R158-E241 IonicContact NH1-OE1 2.7Å; R158-E241 PolarHBondContact NH1-OE1 3.32Å; R158-E241 IonicContact NH1-OE2 2.99Å; R158-E241 PolarHBondContact NH1-OE2 2.93Å; R158-E241 IonicContact NH2-OE1 3.63Å; R158-E241 PolarHBondContact NH2-OE1 3Å; R158-E241 IonicContact NH2-OE2 3.77Å; L237-E241 HydrophobicContact CD2-CG 4.35Å; N238-E241 HydrophobicContact CB-CB 4.36Å; N238-E241 WeakPolarHBondContact CB-OE2 3.12Å; N238-E241 PolarHBondContact N-OE2 3.04Å; N238-E241 VanDerWaalsContact O-CB 3.26Å; N238-E241 WeakPolarHBondContact O-CB 3.43Å; N238-E241 PolarHBondContact O-N 3.37Å; E241-L246 HydrophobicContact CG-CB 4.49Å; E241-L257 HydrophobicContact CB-CD1 4.13Å; E241-L257 HydrophobicContact CG-CD1 4.32Å; E241-L257 HydrophobicContact CG-CD2 4.01Å; E241-L257 HydrophobicContact CG-CG 4.41Å
242	T	93.2	Very high	92	Very high	68 Å²	68	50 Å²	50	42%	0.417	26%	0.259	S	S	.	.			trans	-96.8	157.3	170.1	80.9	0	0	0	0	112.3	N244 D245 L246	T242-N244 PolarHBondContact O-N 3.42Å; T242-N244 VanDerWaalsContact O-N 3.16Å; T242-N244 PolarHBondContact OG1-N 3.31Å; T242-D245 WeakPolarHBondContact CB-OD2 3.49Å; T242-D245 WeakPolarHBondContact CG2-OD2 3.41Å; T242-D245 PolarHBondContact N-OD2 2.7Å; T242-D245 PolarHBondContact O-N 2.89Å; T242-D245 VanDerWaalsContact OG1-CG 3.24Å; T242-D245 PolarHBondContact OG1-N 2.99Å; T242-D245 PolarHBondContact OG1-OD2 3.36Å; T242-L246 PolarHBondContact O-N 3.3Å
243	S	92.1	Very high	91.1	Very high	44 Å²	44	50.3 Å²	50.3	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-53.1	-32.5	170	174.4	0	0	0	0	112.7	H219 Q247	H219-S243 WeakPolarHBondContact CB-OG 3.15Å; H219-S243 PolarHBondContact O-OG 3.49Å; S243-Q247 WeakPolarHBondContact O-CB 3.49Å; S243-Q247 PolarHBondContact O-N 3.16Å
244	N	91.3	Very high	90	Very high	91 Å²	91	52.1 Å²	52.1	49%	0.487	27%	0.272	S	S	.	.	H	α-helix	trans	-69.5	-41.3	176.7	-169.1	-77.5	0	0	0	111.5	T242 Q247 K248	T242-N244 PolarHBondContact O-N 3.42Å; T242-N244 VanDerWaalsContact O-N 3.16Å; T242-N244 PolarHBondContact OG1-N 3.31Å; N244-Q247 WeakPolarHBondContact O-CB 3.39Å; N244-Q247 PolarHBondContact O-N 3.01Å; N244-K248 WeakPolarHBondContact O-CG 3.14Å; N244-K248 PolarHBondContact O-N 2.65Å; N244-K248 WeakPolarHBondContact OD1-CE 3.19Å; N244-K248 PolarHBondContact OD1-NZ 3.2Å
245	D	90.9	Very high	88.4	Confident	45 Å²	45	52.2 Å²	52.2	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-70.5	-43.1	-179.2	-53.8	-49.3	0	0	0	111.2	T242 Q247 K248 T249 L257	T242-D245 WeakPolarHBondContact CB-OD2 3.49Å; T242-D245 WeakPolarHBondContact CG2-OD2 3.41Å; T242-D245 PolarHBondContact N-OD2 2.7Å; T242-D245 PolarHBondContact O-N 2.89Å; T242-D245 VanDerWaalsContact OG1-CG 3.24Å; T242-D245 PolarHBondContact OG1-N 2.99Å; T242-D245 PolarHBondContact OG1-OD2 3.36Å; D245-Q247 VanDerWaalsContact C-N 3.25Å; D245-Q247 PolarHBondContact O-N 3.26Å; D245-K248 WeakPolarHBondContact O-CB 3.25Å; D245-K248 PolarHBondContact O-N 2.83Å; D245-K248 VanDerWaalsContact O-N 3.09Å; D245-K248 IonicContact OD1-NZ 2.81Å; D245-K248 PolarHBondContact OD1-NZ 3.08Å; D245-T249 VanDerWaalsContact O-CG2 3.29Å; D245-T249 WeakPolarHBondContact O-CG2 3.49Å; D245-T249 PolarHBondContact O-N 3.4Å; D245-T249 PolarHBondContact O-OG1 2.37Å; D245-L257 HydrophobicContact CB-CD2 3.56Å
246	L	91.1	Very high	87.4	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-56.1	-40.3	168.9	177.7	60.4	0	0	0	111.8	H219 V235 L237 E241 T242 T249 L250	H219-L246 VanDerWaalsContact CD2-CD2 3.41Å; H219-L246 WeakPolarHBondContact CD2-CD2 3.45Å; H219-L246 VanDerWaalsContact NE2-CD2 3.27Å; H219-L246 WeakPolarHBondContact NE2-CD2 3.43Å; V235-L246 HydrophobicContact CG2-CD2 3.68Å; L237-L246 HydrophobicContact CD2-CB 4.07Å; L237-L246 HydrophobicContact CD2-CD2 3.71Å; E241-L246 HydrophobicContact CG-CB 4.49Å; T242-L246 PolarHBondContact O-N 3.3Å; L246-T249 PolarHBondContact O-OG1 3.32Å; L246-L250 HydrophobicContact CD1-CD1 3.83Å; L246-L250 HydrophobicContact CD1-CD2 4.42Å; L246-L250 HydrophobicContact CD1-CG 3.96Å; L246-L250 HydrophobicContact CG-CD1 4Å; L246-L250 HydrophobicContact CG-CG 4.48Å; L246-L250 WeakPolarHBondContact O-CG 3.21Å; L246-L250 PolarHBondContact O-N 3.45Å; L246-L250 VanDerWaalsContact O-N 3.16Å
247	Q	88.8	Confident	86.2	Confident	84 Å²	84	61.5 Å²	61.5	39%	0.393	31%	0.313	S	S	.	.	H	α-helix	trans	-66.1	-39.8	176.4	-167	-174.4	-67	0	0	112.3	S243 N244 D245 W251	S243-Q247 WeakPolarHBondContact O-CB 3.49Å; S243-Q247 PolarHBondContact O-N 3.16Å; N244-Q247 WeakPolarHBondContact O-CB 3.39Å; N244-Q247 PolarHBondContact O-N 3.01Å; D245-Q247 VanDerWaalsContact C-N 3.25Å; D245-Q247 PolarHBondContact O-N 3.26Å; Q247-W251 WeakPolarHBondContact O-CB 3.49Å; Q247-W251 PolarHBondContact O-N 2.91Å
248	K	87.4	Confident	84.6	Confident	109 Å²	109	60.8 Å²	60.8	47%	0.474	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-42.7	177.3	-71.6	171.6	-176.6	123.1	0	112.1	N244 D245 W251 R252	N244-K248 WeakPolarHBondContact O-CG 3.14Å; N244-K248 PolarHBondContact O-N 2.65Å; N244-K248 WeakPolarHBondContact OD1-CE 3.19Å; N244-K248 PolarHBondContact OD1-NZ 3.2Å; D245-K248 WeakPolarHBondContact O-CB 3.25Å; D245-K248 PolarHBondContact O-N 2.83Å; D245-K248 VanDerWaalsContact O-N 3.09Å; D245-K248 IonicContact OD1-NZ 2.81Å; D245-K248 PolarHBondContact OD1-NZ 3.08Å; K248-W251 PolarHBondContact O-N 3.11Å; K248-R252 PolarHBondContact O-N 3.42Å
249	T	87.3	Confident	82.9	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.012	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-50.2	-178.5	58	0	0	0	0	110.1	D245 L246 W251 R252 H253 V254 R256 L257 I258	D245-T249 VanDerWaalsContact O-CG2 3.29Å; D245-T249 WeakPolarHBondContact O-CG2 3.49Å; D245-T249 PolarHBondContact O-N 3.4Å; D245-T249 PolarHBondContact O-OG1 2.37Å; L246-T249 PolarHBondContact O-OG1 3.32Å; T249-W251 VanDerWaalsContact C-N 3.31Å; T249-W251 PolarHBondContact O-N 3.17Å; T249-R252 CarbonylContact O-C 3.58Å; T249-R252 WeakPolarHBondContact O-CA 3.28Å; T249-R252 PolarHBondContact O-N 2.74Å; T249-H253 PolarHBondContact O-N 3.18Å; T249-V254 CarbonylContact C-O 3.56Å; T249-V254 VanDerWaalsContact CB-O 3.25Å; T249-V254 WeakPolarHBondContact CB-O 3.1Å; T249-V254 PolarHBondContact O-N 3.44Å; T249-R256 WeakPolarHBondContact CB-O 3.31Å; T249-R256 WeakPolarHBondContact CG2-O 3.34Å; T249-L257 HydrophobicContact CG2-CD2 4.14Å; T249-I258 HydrophobicContact CG2-CD1 4.05Å; T249-I258 HydrophobicContact CG2-CG1 4.26Å
250	L	87.7	Confident	81.2	Confident	17 Å²	17	66.6 Å²	66.6	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-35.6	176.7	-61.2	175.8	0	0	0	112.8	W210 R211 I214 L246 R252 H253 V254	W210-L250 HydrophobicContact CB-CD2 3.85Å; R211-L250 WeakPolarHBondContact CB-O 3.27Å; R211-L250 VanDerWaalsContact CD-O 3.25Å; R211-L250 WeakPolarHBondContact CD-O 3.39Å; R211-L250 WeakPolarHBondContact CG-O 3.39Å; I214-L250 HydrophobicContact CB-CD1 4.05Å; I214-L250 HydrophobicContact CB-CD2 4.45Å; I214-L250 HydrophobicContact CD1-CD1 4.36Å; I214-L250 HydrophobicContact CD1-CD2 3.77Å; I214-L250 HydrophobicContact CG2-CD1 3.75Å; L246-L250 HydrophobicContact CD1-CD1 3.83Å; L246-L250 HydrophobicContact CD1-CD2 4.42Å; L246-L250 HydrophobicContact CD1-CG 3.96Å; L246-L250 HydrophobicContact CG-CD1 4Å; L246-L250 HydrophobicContact CG-CG 4.48Å; L246-L250 WeakPolarHBondContact O-CG 3.21Å; L246-L250 PolarHBondContact O-N 3.45Å; L246-L250 VanDerWaalsContact O-N 3.16Å; L250-R252 VanDerWaalsContact C-N 3.26Å; L250-R252 PolarHBondContact O-N 2.81Å; L250-H253 WeakPolarHBondContact O-CA 3.21Å; L250-H253 PolarHBondContact O-N 3.44Å; L250-V254 PolarHBondContact N-O 2.92Å
251	W	83.6	Confident	79.6	Confident	209 Å²	209	68.4 Å²	68.4	79%	0.792	34%	0.344	S	S	*	.	H	α-helix	trans	-60.9	-37	174.1	-173.3	-90.3	0	0	0	112.2	Q247 K248 T249 H253	Q247-W251 WeakPolarHBondContact O-CB 3.49Å; Q247-W251 PolarHBondContact O-N 2.91Å; K248-W251 PolarHBondContact O-N 3.11Å; T249-W251 VanDerWaalsContact C-N 3.31Å; T249-W251 PolarHBondContact O-N 3.17Å; W251-H253 PolarHBondContact O-N 2.96Å
252	R	80.7	Confident	77.9	Confident	123 Å²	123	71.5 Å²	71.5	46%	0.464	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	9.2	173.4	-73.1	-174.4	57.8	-172.6	0	114	K248 T249 L250 V254 I258 N263	K248-R252 PolarHBondContact O-N 3.42Å; T249-R252 CarbonylContact O-C 3.58Å; T249-R252 WeakPolarHBondContact O-CA 3.28Å; T249-R252 PolarHBondContact O-N 2.74Å; L250-R252 VanDerWaalsContact C-N 3.26Å; L250-R252 PolarHBondContact O-N 2.81Å; R252-V254 HydrophobicContact CB-CG2 4.26Å; R252-V254 WeakPolarHBondContact O-CG2 3.38Å; R252-V254 PolarHBondContact O-N 2.98Å; R252-I258 HydrophobicContact CB-CD1 4.35Å; R252-I258 HydrophobicContact CG-CD1 4.47Å; R252-N263 PolarHBondContact NH1-OD1 2.95Å
253	H	78.4	Confident	76.1	Confident	61 Å²	61	72.5 Å²	72.5	28%	0.282	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	11.2	-173.2	-61.2	-137.6	0	0	0	115	N94 R211 T249 L250 W251	N94-H253 PolarHBondContact ND2-ND1 2.72Å; N94-H253 VanDerWaalsContact OD1-CB 3.25Å; N94-H253 WeakPolarHBondContact OD1-CB 3.15Å; N94-H253 PolarHBondContact OD1-ND1 3.43Å; R211-H253 PolarHBondContact NH1-CE1 2.8Å; R211-H253 PolarHBondContact NH1-NE2 3.28Å; R211-H253 PolarHBondContact NH2-CE1 3.5Å; T249-H253 PolarHBondContact O-N 3.18Å; L250-H253 WeakPolarHBondContact O-CA 3.21Å; L250-H253 PolarHBondContact O-N 3.44Å; W251-H253 PolarHBondContact O-N 2.96Å
254	V	74.9	Confident	74.1	Confident	39 Å²	39	78.2 Å²	78.2	24%	0.236	39%	0.391	C	S	.	.			trans	-98.5	135.6	-176	-179.9	0	0	0	0	109.9	T249 L250 R252 R256	T249-V254 CarbonylContact C-O 3.56Å; T249-V254 VanDerWaalsContact CB-O 3.25Å; T249-V254 WeakPolarHBondContact CB-O 3.1Å; T249-V254 PolarHBondContact O-N 3.44Å; L250-V254 PolarHBondContact N-O 2.92Å; R252-V254 HydrophobicContact CB-CG2 4.26Å; R252-V254 WeakPolarHBondContact O-CG2 3.38Å; R252-V254 PolarHBondContact O-N 2.98Å; V254-R256 HydrophobicContact CG1-CB 4.29Å; V254-R256 HydrophobicContact CG1-CG 3.4Å; V254-R256 VanDerWaalsContact CG1-CG 3.4Å; V254-R256 WeakPolarHBondContact CG1-O 3.15Å
255	G	64.6	Low	71.7	Confident	2 Å²	2	76.1 Å²	76.1	2%	0.021	39%	0.391	C	S	.	.	S	Bend	trans	-83.3	-22.9	175.2	0	0	0	0	0	114.5	V156 R158	V156-G255 WeakPolarHBondContact CG1-O 3.44Å; R158-G255 PolarHBondContact NH2-O 2.87Å
256	R	75.7	Confident	69.5	Low	119 Å²	119	82.9 Å²	82.9	45%	0.449	42%	0.421	S	S	.	.	S	Bend	trans	-89.3	150	-176.3	68.5	173.7	179	-108.8	1.7	112.5	S155 V156 T249 V254 I258	S155-R256 WeakPolarHBondContact O-CB 3.21Å; S155-R256 PolarHBondContact OG-NH1 2.92Å; V156-R256 HydrophobicContact CG2-CB 3.96Å; T249-R256 WeakPolarHBondContact CB-O 3.31Å; T249-R256 WeakPolarHBondContact CG2-O 3.34Å; V254-R256 HydrophobicContact CG1-CB 4.29Å; V254-R256 HydrophobicContact CG1-CG 3.4Å; V254-R256 VanDerWaalsContact CG1-CG 3.4Å; V254-R256 WeakPolarHBondContact CG1-O 3.15Å; R256-I258 PolarHBondContact O-N 2.79Å
257	L	71.1	Confident	67.1	Low	79 Å²	79	86.4 Å²	86.4	41%	0.414	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-56.9	128.4	164	-75.1	-177	0	0	0	110.1	E241 D245 T249	E241-L257 HydrophobicContact CB-CD1 4.13Å; E241-L257 HydrophobicContact CG-CD1 4.32Å; E241-L257 HydrophobicContact CG-CD2 4.01Å; E241-L257 HydrophobicContact CG-CG 4.41Å; D245-L257 HydrophobicContact CB-CD2 3.56Å; T249-L257 HydrophobicContact CG2-CD2 4.14Å
258	I	63.3	Low	64.8	Low	36 Å²	36	89 Å²	89	19%	0.185	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-82.3	123.1	176.6	-67.2	151.7	0	0	0	106.7	T249 R252 R256 D262	T249-I258 HydrophobicContact CG2-CD1 4.05Å; T249-I258 HydrophobicContact CG2-CG1 4.26Å; R252-I258 HydrophobicContact CB-CD1 4.35Å; R252-I258 HydrophobicContact CG-CD1 4.47Å; R256-I258 PolarHBondContact O-N 2.79Å; I258-D262 HydrophobicContact CG2-CB 3.72Å
259	S	59.2	Low	62.9	Low	64 Å²	64	94.8 Å²	94.8	45%	0.448	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-70.6	146.7	175.9	-66	0	0	0	0	109.2	V261 D262	S259-V261 PolarHBondContact O-N 3.03Å; S259-D262 PolarHBondContact N-OD2 2.84Å; S259-D262 WeakPolarHBondContact O-CB 3.41Å; S259-D262 PolarHBondContact O-N 3.02Å
260	P	59.4	Low	60.4	Low	111 Å²	111	98 Å²	98	72%	0.721	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-52.3	-31.4	178.4	-30	36.6	0	0	0	113.8	D262 N263	P260-D262 VanDerWaalsContact C-N 3.3Å; P260-D262 PolarHBondContact O-N 3.38Å; P260-N263 WeakPolarHBondContact O-CB 3.33Å; P260-N263 PolarHBondContact O-N 2.95Å; P260-N263 PolarHBondContact O-ND2 2.97Å
261	V	58	Low	57.9	Low	120 Å²	120	107 Å²	107	73%	0.727	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-62.3	-31.3	176.9	-160.6	0	0	0	0	113	S259 N263	S259-V261 PolarHBondContact O-N 3.03Å; V261-N263 PolarHBondContact O-N 3.44Å
262	D	57.5	Low	55.7	Low	76 Å²	76	103.2 Å²	103.2	41%	0.406	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-70.8	-9.2	179.5	-58.2	-34.7	0	0	0	112.8	I258 S259 P260	I258-D262 HydrophobicContact CG2-CB 3.72Å; S259-D262 PolarHBondContact N-OD2 2.84Å; S259-D262 WeakPolarHBondContact O-CB 3.41Å; S259-D262 PolarHBondContact O-N 3.02Å; P260-D262 VanDerWaalsContact C-N 3.3Å; P260-D262 PolarHBondContact O-N 3.38Å
263	N	54.5	Low	53.8	Low	90 Å²	90	101 Å²	101	48%	0.481	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-88.9	3.6	-177.2	-61.7	-57.1	0	0	0	114.1	R252 P260 V261 G265	R252-N263 PolarHBondContact NH1-OD1 2.95Å; P260-N263 WeakPolarHBondContact O-CB 3.33Å; P260-N263 PolarHBondContact O-N 2.95Å; P260-N263 PolarHBondContact O-ND2 2.97Å; V261-N263 PolarHBondContact O-N 3.44Å; N263-G265 PolarHBondContact O-N 3.2Å
264	N	49.7	Very low	52	Low	163 Å²	163	104.7 Å²	104.7	87%	0.872	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-76.6	4.4	174.4	-89	0.7	0	0	0	114.1
265	G	42.6	Very low	50.5	Low	47 Å²	47	109 Å²	109	49%	0.485	62%	0.617	S	S	.	*	S	Bend	trans	-114.8	128	171.3	0	0	0	0	0	112.6	N263	N263-G265 PolarHBondContact O-N 3.2Å
266	H	43.8	Very low	49.3	Very low	188 Å²	188	117.8 Å²	117.8	87%	0.87	66%	0.655	S	S	*	*			trans	59.1	61.9	170.9	-62.7	-72.9	0	0	0	117.6	D268	H266-D268 PolarHBondContact O-N 3.37Å
267	G	40.5	Very low	47.2	Very low	75 Å²	75	116.5 Å²	116.5	77%	0.773	66%	0.664	S	S	*	*			trans	-72.5	59.5	147.4	0	0	0	0	0	112.1	R269	G267-R269 PolarHBondContact O-N 3.27Å
268	D	41.6	Very low	45.6	Very low	139 Å²	139	122.1 Å²	122.1	74%	0.743	69%	0.688	S	S	*	*			trans	-72.7	78.7	171.8	-173.6	16.4	0	0	0	110.3	H266 G270	H266-D268 PolarHBondContact O-N 3.37Å; D268-G270 VanDerWaalsContact C-N 3.32Å; D268-G270 PolarHBondContact O-N 3.08Å; D268-G270 VanDerWaalsContact O-N 3.14Å; D268-G270 PolarHBondContact OD1-N 2.95Å
269	R	46.1	Very low	44.3	Very low	231 Å²	231	125.2 Å²	125.2	87%	0.872	71%	0.712	S	S	*	*			trans	-74	95.9	158.6	-73.5	-179	176.9	146.3	-0	106.7	G267 R271	G267-R269 PolarHBondContact O-N 3.27Å; R269-R271 PolarHBondContact O-N 2.91Å
270	G	36.1	Very low	43.3	Very low	68 Å²	68	129.5 Å²	129.5	70%	0.701	73%	0.731	S	S	*	*			trans	-54	80.9	165.2	0	0	0	0	0	111.4	D268 P272	D268-G270 VanDerWaalsContact C-N 3.32Å; D268-G270 PolarHBondContact O-N 3.08Å; D268-G270 VanDerWaalsContact O-N 3.14Å; D268-G270 PolarHBondContact OD1-N 2.95Å; G270-P272 WeakPolarHBondContact O-CD 3.16Å
271	R	35	Very low	42.3	Very low	207 Å²	207	131.1 Å²	131.1	78%	0.781	73%	0.733	S	S	*	*			trans	-86.2	116.9	170.4	-179.8	-178	-177.2	-141.7	0.2	105.7	R269 S273	R269-R271 PolarHBondContact O-N 2.91Å; R271-S273 PolarHBondContact O-N 2.94Å
272	P	36.4	Very low	41.4	Very low	130 Å²	130	130 Å²	130	84%	0.844	73%	0.731	S	S	*	*			trans	-68.9	88.2	175	-12.7	27.8	0	0	0	108.7	G270	G270-P272 WeakPolarHBondContact O-CD 3.16Å
273	S	41.6	Very low	40.8	Very low	75 Å²	75	131.8 Å²	131.8	52%	0.524	75%	0.749	S	S	.	*			trans	-95.4	110.6	170.2	-168.3	0	0	0	0	107.5	R271 V275	R271-S273 PolarHBondContact O-N 2.94Å; S273-V275 PolarHBondContact O-N 2.58Å
274	T	39.9	Very low	40.2	Very low	139 Å²	139	134.6 Å²	134.6	85%	0.853	76%	0.763	S	S	*	*			trans	-54.1	103.7	172.6	47.9	0	0	0	0	110.7
275	V	43.5	Very low	39.6	Very low	130 Å²	130	134.7 Å²	134.7	79%	0.788	76%	0.762	S	S	*	*			trans	-108.6	105.5	162.5	-160.2	0	0	0	0	106.8	S273	S273-V275 PolarHBondContact O-N 2.58Å
276	K	39.3	Very low	39.6	Very low	186 Å²	186	140 Å²	140	81%	0.809	77%	0.774	S	S	*	*			trans	-68.5	138.7	169.4	-82.8	-179.3	173	179.1	0	108.7
277	S	33	Very low	39.3	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	77%	0.771	S	S	*	*			trans	59.1	116.1	146.6	-54.1	0	0	0	0	117.6
278	H	36.6	Very low	39.2	Very low	197 Å²	197	145.9 Å²	145.9	91%	0.912	77%	0.772	S	S	*	*				-169.1	95.3	106.3	-91.3	-60.3	0	0	0	110
279	S	35.7	Very low	39	Very low	100 Å²	100	147.6 Å²	147.6	70%	0.699	78%	0.776	S	S	*	*			trans	-144.7	144.1	158.9	56.3	0	0	0	0	108.4
280	N	39.2	Very low	38.9	Very low	155 Å²	155	145 Å²	145	83%	0.829	77%	0.773	S	S	*	*			trans	65.5	152.4	176.2	-52.4	-26.5	0	0	0	116
281	N	38.3	Very low	39.2	Very low	144 Å²	144	149 Å²	149	77%	0.77	77%	0.773	S	S	*	*			cis	-165.5	153.1	-34.8	-162.9	-9.9	0	0	0	105.2
282	S	38.3	Very low	39.5	Very low	97 Å²	97	149 Å²	149	68%	0.678	77%	0.773	S	S	*	*			trans	43.2	95.2	155.1	172.2	0	0	0	0	120
283	S	45.1	Very low	39.7	Very low	114 Å²	114	149 Å²	149	80%	0.797	77%	0.766	S	S	*	*			trans	-173.8	109.4	142.2	32.2	0	0	0	0	109.8
284	L	41	Very low	39.6	Very low	148 Å²	148	156.5 Å²	156.5	78%	0.775	78%	0.783	S	S	*	*				66.5	69	70.9	-68.8	-178.8	0	0	0	116.4
285	I	38.9	Very low	39.8	Very low	165 Å²	165	159.7 Å²	159.7	85%	0.846	78%	0.78	S	S	*	*			trans	-147.5	118.8	144.3	-53	-179.3	0	0	0	105.1
286	H	41	Very low	39.7	Very low	160 Å²	160	160.1 Å²	160.1	74%	0.741	77%	0.773	S	S	*	*			cis	73.4	91.5	8.1	-115.3	-45.4	0	0	0	118.7
287	R	38.6	Very low	39.9	Very low	211 Å²	211	156.2 Å²	156.2	80%	0.796	77%	0.765	S	S	*	*			trans	122.9	120.9	156.1	-71	174.4	172.5	146.8	-0.6	110.9
288	H	38	Very low	40.2	Very low	174 Å²	174	160.6 Å²	160.6	81%	0.806	77%	0.767	S	S	*	*				-152.2	131.5	50.7	-88.5	-88.1	0	0	0	114
289	Q	37.2	Very low	40.4	Very low	175 Å²	175	159.4 Å²	159.4	82%	0.818	75%	0.754	S	S	*	*			trans	-119.5	166.2	146.7	-91	178.7	-16.8	0	0	107.4
290	H	43.2	Very low	40.7	Very low	176 Å²	176	162.3 Å²	162.3	82%	0.815	76%	0.757	S	S	*	*			trans	100.5	137	-171.7	-65.7	-72.7	0	0	0	113.5
291	H	42.9	Very low	40.6	Very low	153 Å²	153	159.3 Å²	159.3	71%	0.708	75%	0.748	S	S	*	*			cis	176.1	153.5	-20.2	-136.4	-77.8	0	0	0	105.5
292	R	41.2	Very low	40.8	Very low	206 Å²	206	157.2 Å²	157.2	78%	0.777	74%	0.744	S	S	*	*			trans	79.6	110.7	159.2	-62.4	-169.5	174.5	158.8	-0	121
293	D	41.5	Very low	41	Very low	130 Å²	130	158.6 Å²	158.6	70%	0.695	75%	0.749	S	S	*	*				59.2	105.2	114.6	-44.7	-31.6	0	0	0	121
294	R	39.8	Very low	40.9	Very low	233 Å²	233	157.3 Å²	157.3	88%	0.879	74%	0.74	S	S	*	*				165.5	132	112.2	-90.6	173.3	-177	-165.7	0.4	109.3
295	R	42.2	Very low	41.2	Very low	207 Å²	207	157.2 Å²	157.2	78%	0.781	74%	0.739	S	S	*	*				43.8	129.3	108.4	-73.2	-169	178.1	-143.2	13.1	113.1
296	E	42.4	Very low	41.5	Very low	138 Å²	138	154.2 Å²	154.2	65%	0.645	73%	0.733	S	S	*	*			cis	-172	172	23.8	-126.7	167.8	-164.7	0	0	111.7
297	V	44.4	Very low	41.9	Very low	105 Å²	105	150.6 Å²	150.6	64%	0.636	73%	0.725	S	S	*	*			trans	70.8	99.6	143.9	171.3	0	0	0	0	119.5
298	R	38.9	Very low	42.2	Very low	185 Å²	185	148.9 Å²	148.9	70%	0.698	73%	0.726	S	S	*	*				70.2	122.8	123.2	-69.4	-174.3	172	141.2	-3.1	122.1
299	R	40	Very low	42.7	Very low	172 Å²	172	144.2 Å²	144.2	65%	0.649	71%	0.712	S	S	*	*				71.6	131.3	119.3	-71.2	179.9	177.3	163.3	-5.2	119.8
300	Q	42.2	Very low	43	Very low	161 Å²	161	146.9 Å²	146.9	75%	0.752	72%	0.715	S	S	*	*			trans	64.9	154.6	133.2	-64.6	165.7	-13.7	0	0	115.9
301	S	36.8	Very low	43.1	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	71%	0.711	S	S	*	*			cis	-167.9	160.3	-23	-92.9	0	0	0	0	104.6
302	S	42.2	Very low	43.2	Very low	99 Å²	99	141.1 Å²	141.1	69%	0.692	71%	0.712	S	S	*	*			trans	61.6	148.1	149.4	52.5	0	0	0	0	120
303	T	43.3	Very low	43.8	Very low	126 Å²	126	136.9 Å²	136.9	77%	0.773	71%	0.714	S	S	*	*			trans	65.9	136.2	144.3	46.6	0	0	0	0	119.6
304	S	42.4	Very low	44	Very low	88 Å²	88	136.1 Å²	136.1	62%	0.615	72%	0.716	S	S	*	*			cis	-179.2	-166.7	-17	35.3	0	0	0	0	106.7
305	I	47.4	Very low	44.3	Very low	146 Å²	146	133.3 Å²	133.3	75%	0.749	72%	0.716	S	S	*	*			trans	54.1	106.5	158.6	27.8	175.6	0	0	0	116.8
306	S	46.9	Very low	44.3	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	71%	0.712	S	S	*	*				94.2	150	101.2	76.8	0	0	0	0	112.1
307	S	49	Very low	44.2	Very low	83 Å²	83	126.6 Å²	126.6	58%	0.58	72%	0.716	S	S	*	*			cis	-173.7	155.5	-4.8	35.9	0	0	0	0	108.7
308	H	45.1	Very low	44.1	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.815	72%	0.722	S	S	*	*			trans	65	158.6	150.2	-63.3	-26.5	0	0	0	117.8
309	S	47.1	Very low	44.2	Very low	75 Å²	75	128.7 Å²	128.7	52%	0.524	73%	0.726	S	S	.	*			cis	-175.3	165	-26.3	61	0	0	0	0	108.1
310	R	43.6	Very low	44.1	Very low	232 Å²	232	125.6 Å²	125.6	88%	0.875	73%	0.731	S	S	*	*			trans	66.8	149	161.8	-58.5	160	-177.1	-159.7	-2.3	113.4
311	S	46.9	Very low	44	Very low	103 Å²	103	123.1 Å²	123.1	72%	0.72	73%	0.731	S	S	*	*			cis	-178.7	149.8	-7.2	43.8	0	0	0	0	103
312	S	44.4	Very low	44	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	74%	0.744	S	S	*	*				-174.3	128.7	76.3	-70	0	0	0	0	111.5
313	S	53.2	Low	44.1	Very low	118 Å²	118	130.3 Å²	130.3	83%	0.825	75%	0.745	S	S	*	*			trans	41.9	148.4	137.6	-54.9	0	0	0	0	124.2
314	P	45.8	Very low	44.1	Very low	113 Å²	113	132 Å²	132	73%	0.734	74%	0.742	S	S	*	*			trans	-105.3	-179.3	-170.1	43.1	-36.2	0	0	0	113.7
315	I	47.1	Very low	44	Very low	174 Å²	174	135.1 Å²	135.1	89%	0.892	75%	0.751	S	S	*	*			trans	-175	127	139.3	-94.7	146.8	0	0	0	110.7
316	G	41.8	Very low	43.7	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	74%	0.743	S	S	*	*			trans	60.9	171.3	151.1	0	0	0	0	0	120.5
317	N	40	Very low	43.5	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	75%	0.745	S	S	*	*			cis	-165.5	166	-28.3	-131.2	25.9	0	0	0	109.5
318	H	41.5	Very low	43.2	Very low	161 Å²	161	142.2 Å²	142.2	75%	0.745	75%	0.754	S	S	*	*			trans	74.8	112.2	160.3	-63.7	-56.3	0	0	0	122.3
319	H	41.9	Very low	42.9	Very low	173 Å²	173	140.7 Å²	140.7	80%	0.801	75%	0.753	S	S	*	*			trans	-54	148.1	153.2	-52.3	-97.9	0	0	0	115.3
320	S	38.6	Very low	42.7	Very low	107 Å²	107	141 Å²	141	75%	0.748	75%	0.754	S	S	*	*			trans	63.6	151	137.6	88.1	0	0	0	0	121.9
321	S	39.5	Very low	42.6	Very low	108 Å²	108	140.8 Å²	140.8	76%	0.755	75%	0.754	S	S	*	*			trans	83.4	106.9	162.6	81.8	0	0	0	0	118.5
322	R	36.9	Very low	42.3	Very low	241 Å²	241	142.8 Å²	142.8	91%	0.909	76%	0.756	S	S	*	*				51.2	145.4	128.1	-93.1	178	161.6	160	-5.2	121.4
323	S	44.3	Very low	42.1	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	75%	0.749	S	S	*	*			trans	81.7	152.9	161.7	89	0	0	0	0	114.3
324	K	42.8	Very low	41.4	Very low	162 Å²	162	144.2 Å²	144.2	70%	0.704	75%	0.747	S	S	*	*			cis	-160.5	149.1	14.4	-137.6	151	-166.8	170	0	109.6
325	N	41	Very low	41.1	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	75%	0.747	S	S	*	*			trans	-166.4	91.5	144.7	-90.5	-29.3	0	0	0	105.2
326	N	41	Very low	40.8	Very low	107 Å²	107	146.7 Å²	146.7	57%	0.572	74%	0.738	S	S	*	*				58.7	120.4	89.6	-64.9	-25.2	0	0	0	110.5
327	Y	42.3	Very low	40.8	Very low	194 Å²	194	147.4 Å²	147.4	76%	0.761	73%	0.732	S	S	*	*			cis	-146.5	152.8	49	-80.6	-95.3	0	0	0	114.7
328	K	42.7	Very low	40.9	Very low	178 Å²	178	148.6 Å²	148.6	77%	0.774	73%	0.733	S	S	*	*			trans	43.6	127.8	145.8	-59.2	165.2	178.7	173.9	0	118
329	N	39.1	Very low	40.7	Very low	145 Å²	145	150.7 Å²	150.7	78%	0.775	73%	0.734	S	S	*	*			cis	-158.6	141.7	36.1	-136.9	10.8	0	0	0	114.4
330	S	43	Very low	40.6	Very low	80 Å²	80	151 Å²	151	56%	0.559	73%	0.733	S	S	*	*			trans	1.3	127.8	150.3	60.3	0	0	0	0	120.5
331	R	41.2	Very low	40.6	Very low	229 Å²	229	150.8 Å²	150.8	86%	0.864	73%	0.732	S	S	*	*				68.4	137.6	97.6	-69.2	178.5	-179.7	176	-1.1	114.6
332	L	39.5	Very low	40.8	Very low	145 Å²	145	155.3 Å²	155.3	76%	0.759	74%	0.738	S	S	*	*			cis	-159.1	171.2	14.8	-110.2	154.5	0	0	0	112
333	S	41.4	Very low	40.9	Very low	84 Å²	84	154.4 Å²	154.4	59%	0.587	74%	0.735	S	S	*	*			trans	-33.3	133.9	160.9	54.9	0	0	0	0	115.6
334	E	38.1	Very low	40.8	Very low	167 Å²	167	156.7 Å²	156.7	78%	0.78	74%	0.739	S	S	*	*				103.3	168	75.6	-162.7	174.1	-164.7	0	0	111.1
335	Y	40.1	Very low	40.7	Very low	188 Å²	188	157 Å²	157	74%	0.737	74%	0.74	S	S	*	*			trans	87.5	128	172.3	-84.3	-103.3	0	0	0	122.5
336	H	40.5	Very low	41.1	Very low	152 Å²	152	158.4 Å²	158.4	70%	0.704	74%	0.741	S	S	*	*			trans	69.1	91.2	147.5	-71.6	-13.6	0	0	0	124.1
337	S	41.2	Very low	40.9	Very low	81 Å²	81	159 Å²	159	57%	0.566	75%	0.749	S	S	*	*				26	138.8	108	65.7	0	0	0	0	122.8
338	H	41.8	Very low	40.8	Very low	163 Å²	163	155.2 Å²	155.2	76%	0.755	75%	0.751	S	S	*	*			trans	96.4	118.9	141.7	-74.2	-46.4	0	0	0	122.8
339	R	38.9	Very low	40.7	Very low	205 Å²	205	152.1 Å²	152.1	77%	0.774	75%	0.752	S	S	*	*			trans	62	124.9	133.9	-81.3	-179.9	160.7	-166.5	-3.6	117.2
340	K	39.6	Very low	40.8	Very low	180 Å²	180	149 Å²	149	78%	0.783	75%	0.754	S	S	*	*				165.7	164.6	67.7	-120.2	165.8	-178.7	-179	0	107.6
341	S	38.8	Very low	40.8	Very low	103 Å²	103	150.2 Å²	150.2	72%	0.72	76%	0.763	S	S	*	*			trans	-75.6	154.3	176.7	52.8	0	0	0	0	113.7
342	K	42.4	Very low	40.8	Very low	202 Å²	202	150.5 Å²	150.5	88%	0.878	76%	0.764	S	S	*	*				-175.1	110.5	128	-100	162.9	-175.2	-175	0	112.9
343	R	38.7	Very low	41	Very low	223 Å²	223	154.5 Å²	154.5	84%	0.842	77%	0.769	S	S	*	*			trans	9	126.5	133.4	-171.7	-171	-147	178.4	7.4	116.9
344	N	43.7	Very low	41.1	Very low	150 Å²	150	154.7 Å²	154.7	80%	0.802	77%	0.77	S	S	*	*			trans	-151.3	141.5	135.2	-101.9	-21.7	0	0	0	112.8
345	K	39.6	Very low	41.4	Very low	168 Å²	168	152.2 Å²	152.2	73%	0.73	77%	0.771	S	S	*	*			trans	-87.7	144.5	172.6	-74	176	169.5	-178.4	0	108.9
346	H	50	Low	41.6	Very low	183 Å²	183	150.3 Å²	150.3	85%	0.847	77%	0.773	S	S	*	*			trans	-132.6	127	148.3	-72.9	-73.1	0	0	0	110.4
347	T	36.2	Very low	41.8	Very low	118 Å²	118	151.2 Å²	151.2	72%	0.724	78%	0.783	S	S	*	*			trans	-106.7	172.5	174	44.6	0	0	0	0	109.7
348	S	40.7	Very low	41.7	Very low	115 Å²	115	158 Å²	158	80%	0.804	80%	0.796	S	S	*	*			trans	71.4	147.6	175.9	78.3	0	0	0	0	114.9
349	S	39.6	Very low	42.1	Very low	113 Å²	113	156 Å²	156	79%	0.79	80%	0.8	S	S	*	*			cis	-171.5	137.5	-19.2	44.4	0	0	0	0	107.7
350	G	41.5	Very low	42.4	Very low	81 Å²	81	151.6 Å²	151.6	84%	0.835	80%	0.798	S	S	*	*			trans	-166.6	97.9	-178.8	0	0	0	0	0	113.3
351	S	42.8	Very low	42.5	Very low	105 Å²	105	147.6 Å²	147.6	73%	0.734	79%	0.793	S	S	*	*			trans	-98.5	168.9	-172.5	-48.8	0	0	0	0	113.2
352	R	42.2	Very low	43	Very low	235 Å²	235	150 Å²	150	89%	0.887	80%	0.795	S	S	*	*			trans	83.8	149.8	165.8	-54	166.7	-173.3	-167.5	2.1	114.5
353	R	42.9	Very low	43	Very low	228 Å²	228	148.2 Å²	148.2	86%	0.86	79%	0.794	S	S	*	*			cis	-167.7	170.8	-9.9	-109	-167	173.3	178.2	-2.8	107.9
354	S	45	Very low	43.2	Very low	89 Å²	89	141.9 Å²	141.9	62%	0.622	78%	0.784	S	S	*	*			cis	-179.8	102.5	-49.9	56.3	0	0	0	0	112.6
355	S	43.7	Very low	43.1	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	78%	0.783	S	S	*	*			trans	-161.7	112.2	166.2	53	0	0	0	0	112.2
356	L	44.5	Very low	43.5	Very low	148 Å²	148	137.2 Å²	137.2	78%	0.775	78%	0.784	S	S	*	*				73.5	110.2	75.7	-75.3	166.1	0	0	0	114.7
357	N	44.7	Very low	43.4	Very low	171 Å²	171	134.2 Å²	134.2	91%	0.914	78%	0.778	S	S	*	*				-158.7	149.1	115.8	-98.6	-23.8	0	0	0	112.4
358	R	39.5	Very low	43.9	Very low	225 Å²	225	136 Å²	136	85%	0.849	78%	0.778	S	S	*	*			trans	-118.3	160.1	-174.2	-81.8	175.8	155.5	-161.9	-3.4	110.3
359	S	50	Low	44.1	Very low	120 Å²	120	138.7 Å²	138.7	84%	0.839	78%	0.775	S	S	*	*				-176.2	157.3	113.9	-78.8	0	0	0	0	114.2
360	P	45.3	Very low	44.2	Very low	113 Å²	113	141.1 Å²	141.1	73%	0.734	77%	0.772	S	S	*	*			trans	-137.3	179	-167.7	41.9	-23.3	0	0	0	118.2
361	S	41	Very low	44.5	Very low	95 Å²	95	145.8 Å²	145.8	66%	0.664	77%	0.772	S	S	*	*			trans	96.9	163.8	143.2	79.1	0	0	0	0	123.2
362	M	48.3	Very low	44.3	Very low	155 Å²	155	149.6 Å²	149.6	76%	0.764	78%	0.775	S	S	*	*			trans	95.6	105.8	177.6	-50.4	-53.1	171.3	0	0	116.2
363	L	43	Very low	44.3	Very low	163 Å²	163	146.9 Å²	146.9	85%	0.853	77%	0.769	S	S	*	*				73	139	76	-76.9	163.7	0	0	0	113.7
364	S	42.3	Very low	44.4	Very low	90 Å²	90	144.1 Å²	144.1	63%	0.629	77%	0.766	S	S	*	*			cis	-155.1	152.8	22.3	81.9	0	0	0	0	112.7
365	S	43.4	Very low	44.1	Very low	113 Å²	113	148 Å²	148	79%	0.79	78%	0.776	S	S	*	*				78.6	150.5	106	89.8	0	0	0	0	116.8
366	S	47	Very low	44	Very low	107 Å²	107	151.1 Å²	151.1	75%	0.748	78%	0.776	S	S	*	*			cis	-165.9	148.7	-13.5	-166.9	0	0	0	0	108.2
367	V	47.2	Very low	43.9	Very low	121 Å²	121	149.4 Å²	149.4	73%	0.733	76%	0.763	S	S	*	*				159.4	118.4	94.5	170.7	0	0	0	0	105.9
368	H	47.2	Very low	43.6	Very low	155 Å²	155	151 Å²	151	72%	0.718	76%	0.757	S	S	*	*				59.2	141.1	95	-93.5	8.6	0	0	0	117.3
369	K	45.1	Very low	43.5	Very low	171 Å²	171	144.5 Å²	144.5	74%	0.743	75%	0.746	S	S	*	*			cis	-159.5	140.5	20.6	-111.5	159.2	-175.9	173.8	0	114.6
370	K	41.8	Very low	43.4	Very low	165 Å²	165	146 Å²	146	72%	0.717	74%	0.739	S	S	*	*			trans	9.9	142.8	141.6	-52.7	173.5	176.8	178.6	0	122.6
371	H	46.8	Very low	43.4	Very low	179 Å²	179	149 Å²	149	83%	0.829	74%	0.741	S	S	*	*				-169.1	-179.8	93.3	-115.4	-93.5	0	0	0	114.5
372	K	40.3	Very low	43.5	Very low	185 Å²	185	154.8 Å²	154.8	80%	0.804	75%	0.748	S	S	*	*			trans	-148.1	157.6	-150.8	-169.1	-178.2	-175.6	175.9	0	113.8
373	K	42	Very low	43.3	Very low	178 Å²	178	155.5 Å²	155.5	77%	0.774	75%	0.753	S	S	*	*			trans	83.4	154.7	173.3	-53	-174.7	176.8	-174.7	0	115
374	H	44.3	Very low	43.6	Very low	169 Å²	169	156.5 Å²	156.5	78%	0.782	75%	0.75	S	S	*	*			cis	-148.5	168.8	17.4	-146.2	-81.7	0	0	0	113.6
375	M	38.4	Very low	43.8	Very low	171 Å²	171	155.1 Å²	155.1	84%	0.842	75%	0.751	S	S	*	*			trans	-96.5	170.9	175.9	-86.9	-161.9	141.8	0	0	115
376	K	41.2	Very low	43.8	Very low	180 Å²	180	156.8 Å²	156.8	78%	0.783	76%	0.756	S	S	*	*			trans	99.3	148.9	173.2	-70.3	-175.3	151.3	-134.6	0	114.8
377	E	43.1	Very low	43.9	Very low	111 Å²	111	164.8 Å²	164.8	52%	0.519	78%	0.777	S	S	.	*			cis	-158.2	165.8	-10.5	-126	174.8	119.4	0	0	110.2
378	R	38.5	Very low	43.7	Very low	206 Å²	206	167 Å²	167	78%	0.777	78%	0.779	S	S	*	*			trans	24.6	118.7	148.2	-71.9	168.4	165.7	160.5	-17.9	119.7
379	S	37.5	Very low	43.5	Very low	88 Å²	88	167.6 Å²	167.6	62%	0.615	78%	0.783	S	S	*	*				82.4	134.4	77.4	-167.1	0	0	0	0	115.7
380	H	47.5	Very low	43.5	Very low	150 Å²	150	167.4 Å²	167.4	69%	0.694	79%	0.785	S	S	*	*			trans	99.9	106.5	163.4	-58.5	-57.1	0	0	0	121.4
381	K	45.3	Very low	43.6	Very low	177 Å²	177	167.6 Å²	167.6	77%	0.77	79%	0.789	S	S	*	*				79.8	121.5	119.9	-71.6	177	176.1	172.7	0	121
382	R	43.1	Very low	43.4	Very low	216 Å²	216	166.9 Å²	166.9	82%	0.815	79%	0.786	S	S	*	*			trans	66.8	107.7	137.1	-80.6	-174.9	168.8	168.2	-1.9	118.7
383	I	43.4	Very low	43.6	Very low	171 Å²	171	165.7 Å²	165.7	88%	0.877	79%	0.785	S	S	*	*			trans	-83.8	121.2	145.4	-63.1	171.1	0	0	0	108.7
384	K	49.9	Very low	43.7	Very low	183 Å²	183	164.8 Å²	164.8	80%	0.796	79%	0.786	S	S	*	*			trans	-134.3	136.7	143.5	-70.1	-172.3	173.8	-166.6	0	103.1
385	G	47.2	Very low	43.6	Very low	62 Å²	62	164.5 Å²	164.5	64%	0.639	79%	0.786	S	S	*	*			cis	139	138.1	11.4	0	0	0	0	0	107.7
386	V	43.6	Very low	44.1	Very low	147 Å²	147	163.9 Å²	163.9	89%	0.891	78%	0.781	S	S	*	*			trans	63.3	99.6	169.3	-168.4	0	0	0	0	116.7
387	K	48.5	Very low	44.3	Very low	276 Å²	276	162.5 Å²	162.5	100%	1.2	78%	0.781	S	S	*	*				-151.9	0	102.7	-104.1	-175.9	-179.7	-177.4	0	110

Retrieved 387 of 387 residues in 69 ms (Link to these results)

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