A0A077YYJ9_TRITR Loading...

ShK and CAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYJ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 492 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	27.1	Very low	42.1	Very low	241 Å²	241	86 Å²	86	100%	1.187	46%	0.459	S	S	*	.				0	145.4	0	-75.5	166.2	163.1	0	0	107.8
2	N	26.9	Very low	42.4	Very low	177 Å²	177	84.5 Å²	84.5	95%	0.947	46%	0.461	S	S	*	.			trans	-90.6	124.2	-170.5	-52.6	-10.4	0	0	0	107.9
3	G	26.3	Very low	42.7	Very low	59 Å²	59	82.3 Å²	82.3	61%	0.608	46%	0.461	S	S	*	.			trans	-131.8	-30.7	-166.9	0	0	0	0	0	115.4
4	F	29.8	Very low	42	Very low	94 Å²	94	88.3 Å²	88.3	41%	0.412	48%	0.483	S	S	.	.			trans	-131.5	132.9	158.5	-81.2	-84.9	0	0	0	107.5	E6	F4-E6 HydrophobicContact CB-CG 4.1Å; F4-E6 PolarHBondContact O-N 3.22Å; F4-E6 VanDerWaalsContact O-N 3.11Å
5	D	31.5	Very low	41.7	Very low	120 Å²	120	90.1 Å²	90.1	64%	0.642	50%	0.501	S	S	*	.			trans	-79.8	80.8	163.1	-162.8	10.8	0	0	0	105.2	K7 Q195	D5-K7 HydrophobicContact CB-CG 4.43Å; D5-K7 VanDerWaalsContact CG-CE 3.42Å; D5-K7 PolarHBondContact O-N 3.44Å; D5-K7 WeakPolarHBondContact OD2-CE 3.39Å; D5-K7 IonicContact OD2-NZ 2.76Å; D5-Q195 PolarHBondContact O-OE1 3.19Å
6	E	40.2	Very low	41.2	Very low	56 Å²	56	96.4 Å²	96.4	26%	0.262	53%	0.525	S	S	.	.			trans	-67.5	79.8	174.9	-73.7	-173.2	144.9	0	0	108	F4 H138 R144 N241	F4-E6 HydrophobicContact CB-CG 4.1Å; F4-E6 PolarHBondContact O-N 3.22Å; F4-E6 VanDerWaalsContact O-N 3.11Å; E6-H138 PolarHBondContact O-CD2 2.87Å; E6-H138 VanDerWaalsContact O-CD2 3.23Å; E6-R144 IonicContact OE2-CZ 2.69Å; E6-R144 IonicContact OE2-NH1 3.86Å; E6-R144 IonicContact OE2-NH2 3.16Å; E6-R144 PolarHBondContact OE2-NH2 3Å; E6-N241 PolarHBondContact OE1-ND2 2.03Å
7	K	46.6	Very low	40.5	Very low	62 Å²	62	97.6 Å²	97.6	27%	0.27	54%	0.543	S	S	.	.			trans	-88.2	111.6	171.8	-34.8	152	173.8	-177.6	0	107.3	D5 Q195 H198 R224	D5-K7 HydrophobicContact CB-CG 4.43Å; D5-K7 VanDerWaalsContact CG-CE 3.42Å; D5-K7 PolarHBondContact O-N 3.44Å; D5-K7 WeakPolarHBondContact OD2-CE 3.39Å; D5-K7 IonicContact OD2-NZ 2.76Å; K7-Q195 VanDerWaalsContact CA-OE1 3.25Å; K7-Q195 HydrophobicContact CD-CG 4.38Å; K7-Q195 VanDerWaalsContact CD-OE1 3.24Å; K7-Q195 VanDerWaalsContact O-CD 3.26Å; K7-Q195 PolarHBondContact O-NE2 3.43Å; K7-Q195 PolarHBondContact O-OE1 3.08Å; K7-H198 PolarHBondContact O-CE1 2.82Å; K7-H198 VanDerWaalsContact O-CE1 3.3Å; K7-R224 VanDerWaalsContact CB-NH1 3.29Å; K7-R224 VanDerWaalsContact CD-NH2 3.25Å
8	A	57.4	Low	40.1	Very low	3 Å²	3	98.9 Å²	98.9	3%	0.025	56%	0.56	C	S	.	*			trans	-53.4	156.9	-179	0	0	0	0	0	113.8	I157 W159 H198	A8-I157 HydrophobicContact CB-CB 3.68Å; A8-I157 HydrophobicContact CB-CG2 3.94Å; A8-I157 VanDerWaalsContact CB-O 3.27Å; A8-I157 WeakPolarHBondContact CB-O 3.43Å; A8-W159 VanDerWaalsContact C-CZ3 3.4Å; A8-W159 HydrophobicContact CB-CE3 4.08Å; A8-W159 HydrophobicContact CB-CH2 4.3Å; A8-W159 HydrophobicContact CB-CZ3 3.38Å; A8-W159 WeakPolarHBondContact O-CH2 3.34Å; A8-W159 VanDerWaalsContact O-CZ3 3.26Å; A8-W159 WeakPolarHBondContact O-CZ3 3.4Å; A8-H198 WeakPolarHBondContact CA-NE2 3.37Å
9	V	58.7	Low	39.7	Very low	21 Å²	21	106.5 Å²	106.5	13%	0.127	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.2	145.9	-178.7	-177.3	0	0	0	0	111.2	I157 W158 W159 D175 F176 H198	V9-I157 PolarHBondContact N-O 2.91Å; V9-I157 VanDerWaalsContact N-O 3.1Å; V9-W158 VanDerWaalsContact O-CA 3.27Å; V9-W158 WeakPolarHBondContact O-CA 3.43Å; V9-W159 VanDerWaalsContact O-CZ3 3.23Å; V9-W159 WeakPolarHBondContact O-CZ3 3.44Å; V9-W159 PolarHBondContact O-N 2.93Å; V9-W159 VanDerWaalsContact O-N 3.11Å; V9-D175 HydrophobicContact CG1-CB 4.31Å; V9-F176 HydrophobicContact CB-CD1 4.3Å; V9-F176 HydrophobicContact CB-CE1 4.35Å; V9-F176 HydrophobicContact CG2-CD1 3.8Å; V9-F176 HydrophobicContact CG2-CE1 4.23Å; V9-H198 HydrophobicContact CG2-CB 4.39Å; V9-H198 WeakPolarHBondContact CG2-ND1 3.24Å
10	F	59.3	Low	39.3	Very low	93 Å²	93	111.5 Å²	111.5	41%	0.408	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.5	151.1	172.4	73	-84.6	0	0	0	113.7	W159 I226	F10-W159 WeakPolarHBondContact CA-O 3.25Å; F10-W159 HydrophobicContact CB-CD2 3.98Å; F10-W159 HydrophobicContact CB-CE3 4.23Å; F10-W159 HydrophobicContact CB-CH2 3.99Å; F10-W159 HydrophobicContact CB-CZ2 3.77Å; F10-W159 HydrophobicContact CB-CZ3 4.19Å; F10-W159 WeakPolarHBondContact CB-O 3.28Å; F10-W159 HydrophobicContact CD1-CH2 4.2Å; F10-W159 HydrophobicContact CD1-CZ2 4.22Å; F10-W159 HydrophobicContact CG-CH2 4.47Å; F10-W159 HydrophobicContact CG-CZ2 4.19Å; F10-I226 HydrophobicContact CB-CD1 4.18Å; F10-I226 HydrophobicContact CD2-CD1 3.93Å; F10-I226 HydrophobicContact CG-CD1 4.43Å
11	A	59.4	Low	39.1	Very low	20 Å²	20	112.3 Å²	112.3	17%	0.165	60%	0.604	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	142.4	169.6	0	0	0	0	0	110.2	W158 W159 S160 I226	A11-W158 HydrophobicContact CB-CZ2 4.06Å; A11-W159 PolarHBondContact N-O 3.21Å; A11-W159 VanDerWaalsContact N-O 3.15Å; A11-S160 VanDerWaalsContact O-CA 3.25Å; A11-S160 WeakPolarHBondContact O-CA 3.31Å; A11-S160 VanDerWaalsContact O-CB 3.28Å; A11-S160 WeakPolarHBondContact O-CB 3.42Å; A11-I226 WeakPolarHBondContact O-CD1 3.5Å
12	S	45.4	Very low	39.4	Very low	68 Å²	68	110.8 Å²	110.8	48%	0.476	59%	0.59	S	S	.	*			trans	-128.4	119	178.7	60.3	0	0	0	0	111.4	Q14 N161	S12-Q14 PolarHBondContact O-N 3.5Å; S12-N161 WeakPolarHBondContact CA-OD1 3.39Å
13	A	46.2	Very low	40	Very low	56 Å²	56	111 Å²	111	46%	0.463	59%	0.586	S	S	.	*			trans	-60.7	129.4	165.5	0	0	0	0	0	109.8	N161	A13-N161 PolarHBondContact N-OD1 2.78Å
14	Q	33.4	Very low	40.4	Very low	166 Å²	166	111.2 Å²	111.2	78%	0.776	59%	0.587	S	S	*	*			trans	-64.5	137.8	171.1	-70.1	-72.4	-44.5	0	0	109.4	S12 E16	S12-Q14 PolarHBondContact O-N 3.5Å; Q14-E16 PolarHBondContact O-N 3.12Å
15	P	36.7	Very low	40.5	Very low	116 Å²	116	114.7 Å²	114.7	75%	0.753	61%	0.609	S	S	*	*			trans	-80.1	115.2	177.4	31	-32	0	0	0	110.8	S17	P15-S17 PolarHBondContact O-N 3.02Å
16	E	34.9	Very low	40.8	Very low	190 Å²	190	116.9 Å²	116.9	89%	0.888	62%	0.62	S	S	*	*			trans	-60.8	130.2	161.9	-70.6	-178.2	122.1	0	0	109.5	Q14 S18	Q14-E16 PolarHBondContact O-N 3.12Å; E16-S18 PolarHBondContact O-N 3.47Å
17	S	28.4	Very low	40.5	Very low	117 Å²	117	119.5 Å²	119.5	82%	0.818	64%	0.644	S	S	*	*			trans	-74.3	125.7	179.7	68.6	0	0	0	0	110.3	P15	P15-S17 PolarHBondContact O-N 3.02Å
18	S	33	Very low	40.3	Very low	121 Å²	121	121.2 Å²	121.2	85%	0.846	67%	0.67	S	S	*	*			trans	-132.6	144.2	165.3	-89.4	0	0	0	0	111.7	E16	E16-S18 PolarHBondContact O-N 3.47Å
19	R	33.6	Very low	39.4	Very low	244 Å²	244	130.5 Å²	130.5	92%	0.921	71%	0.71	S	S	*	*			trans	-73.5	156.1	-154.8	-74.3	173.5	170.6	151.8	-4.6	113.7
20	K	31.3	Very low	38.4	Very low	206 Å²	206	133.3 Å²	133.3	90%	0.896	74%	0.742	S	S	*	*			trans	-47.6	138.9	161.3	-54	164.7	180	173.4	0	111
21	T	35.2	Very low	37.5	Very low	129 Å²	129	134.5 Å²	134.5	79%	0.791	76%	0.763	S	S	*	*			trans	-137.2	135.9	138	2.9	0	0	0	0	107.7
22	K	33.1	Very low	36.6	Very low	208 Å²	208	144.5 Å²	144.5	90%	0.904	80%	0.796	S	S	*	*			trans	-140.7	97	-177.5	-137.1	-164.4	-173.4	-167.5	0	107.8
23	E	39.5	Very low	36.5	Very low	183 Å²	183	147.1 Å²	147.1	86%	0.855	81%	0.805	S	S	*	*			trans	-131.4	151.6	178.2	-68.8	179.1	167.8	0	0	108.7
24	G	34.9	Very low	36.2	Very low	62 Å²	62	155.3 Å²	155.3	64%	0.639	82%	0.824	S	S	*	*			cis	172.8	33.5	-0.6	0	0	0	0	0	115.5
25	L	31.4	Very low	36.7	Very low	167 Å²	167	157.3 Å²	157.3	87%	0.874	82%	0.824	S	S	*	*			trans	64.7	147.8	-172.9	-72.2	67.6	0	0	0	114.7
26	I	37.6	Very low	36.9	Very low	167 Å²	167	159.4 Å²	159.4	86%	0.856	83%	0.829	S	S	*	*				-163.9	135	108.8	-92.3	154.8	0	0	0	106.6
27	S	34.4	Very low	37.6	Very low	110 Å²	110	159.6 Å²	159.6	77%	0.769	83%	0.83	S	S	*	*			trans	-132.6	103.5	177.4	-176.1	0	0	0	0	108.7	K29	S27-K29 PolarHBondContact O-N 3.27Å
28	A	42.3	Very low	38.3	Very low	98 Å²	98	159.7 Å²	159.7	81%	0.81	83%	0.831	S	S	*	*			trans	-87.3	101.6	-175.6	0	0	0	0	0	110.9
29	K	39.3	Very low	38.6	Very low	199 Å²	199	158.4 Å²	158.4	87%	0.865	83%	0.827	S	S	*	*			trans	-90.4	97	163	-78	-175.5	175.4	178.5	0	109.5	S27	S27-K29 PolarHBondContact O-N 3.27Å
30	G	38.1	Very low	39.2	Very low	79 Å²	79	156.6 Å²	156.6	81%	0.814	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-63	134.4	166.2	0	0	0	0	0	110.6
31	S	40.5	Very low	39.5	Very low	119 Å²	119	150.9 Å²	150.9	83%	0.832	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-84.4	173	179.7	-161.6	0	0	0	0	112.2
32	R	39.7	Very low	40	Very low	229 Å²	229	149.7 Å²	149.7	86%	0.864	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.6	150.4	178.8	-53.2	162.6	-175.9	151	-0.7	110.7
33	D	43.2	Very low	40.3	Very low	124 Å²	124	151.2 Å²	151.2	66%	0.663	82%	0.824	S	S	*	*			trans	-129.1	143.7	134.1	-164.4	12	0	0	0	109.2	R35	D33-R35 IonicContact OD2-CZ 3.7Å; D33-R35 IonicContact OD2-NE 3.77Å; D33-R35 IonicContact OD2-NH2 2.79Å; D33-R35 PolarHBondContact OD2-NH2 3.14Å
34	R	40.4	Very low	41.1	Very low	228 Å²	228	150.4 Å²	150.4	86%	0.86	82%	0.818	S	S	*	*			trans	-116.1	122.2	178	-98.3	-173.5	173.5	179.4	-2.8	107.5
35	R	43.8	Very low	41.9	Very low	208 Å²	208	152.5 Å²	152.5	79%	0.785	82%	0.82	S	S	*	*			trans	-134.4	107.7	165.5	-129.3	166.8	-71.2	-166.9	0.8	110.7	D33	D33-R35 IonicContact OD2-CZ 3.7Å; D33-R35 IonicContact OD2-NE 3.77Å; D33-R35 IonicContact OD2-NH2 2.79Å; D33-R35 PolarHBondContact OD2-NH2 3.14Å
36	N	40.3	Very low	42.6	Very low	159 Å²	159	154.8 Å²	154.8	85%	0.85	82%	0.824	S	S	*	*			trans	-63	141.6	163.2	-79	-4.1	0	0	0	108.5
37	Q	49.2	Very low	43.4	Very low	194 Å²	194	151.7 Å²	151.7	91%	0.907	81%	0.809	S	S	*	*			trans	-142.3	146.5	147	-112	169.5	32.7	0	0	109.7
38	S	43.2	Very low	44.4	Very low	120 Å²	120	155.3 Å²	155.3	84%	0.839	81%	0.811	S	S	*	*			trans	-86.2	157.3	-164.5	-163.3	0	0	0	0	112.6
39	A	39.6	Very low	45.1	Very low	93 Å²	93	153.9 Å²	153.9	77%	0.769	80%	0.799	S	S	*	*			trans	-70.2	135.5	178.1	0	0	0	0	0	112.1
40	K	47.2	Very low	46	Very low	206 Å²	206	147.1 Å²	147.1	90%	0.896	78%	0.777	S	S	*	*			trans	-133.1	124	147.9	-75.9	-167.2	174.7	-175.8	0	108
41	G	37	Very low	47	Very low	87 Å²	87	148.4 Å²	148.4	90%	0.897	77%	0.765	S	S	*	*			trans	-72.4	141.2	177.6	0	0	0	0	0	111.4
42	S	45.3	Very low	47.9	Very low	104 Å²	104	149.1 Å²	149.1	73%	0.727	76%	0.757	S	S	*	*			trans	-145.8	120.7	165	-171.7	0	0	0	0	108.1	K44	S42-K44 PolarHBondContact O-N 3.39Å
43	Y	38.9	Very low	49.1	Very low	240 Å²	240	142.5 Å²	142.5	94%	0.941	74%	0.742	S	S	*	*			trans	-74.3	122.8	-177.6	-154.8	-97.7	0	0	0	108.5
44	K	56.9	Low	50.2	Low	165 Å²	165	141.7 Å²	141.7	72%	0.717	74%	0.737	S	S	*	*			trans	-120.9	155.4	179.5	-82.6	-165	172	-170.5	0	112.3	S42	S42-K44 PolarHBondContact O-N 3.39Å
45	P	51.1	Low	51.5	Low	106 Å²	106	134.7 Å²	134.7	69%	0.688	72%	0.716	S	S	*	*			trans	-73.1	173.9	-167	-18.1	34.1	0	0	0	114.6	D47	P45-D47 PolarHBondContact O-N 3.16Å
46	F	45.9	Very low	53	Low	216 Å²	216	128.7 Å²	128.7	95%	0.947	70%	0.702	S	S	*	*			trans	-69.9	84.1	177	-103.1	-101.4	0	0	0	112.5	K48	F46-K48 PolarHBondContact O-N 3.33Å; F46-K48 VanDerWaalsContact O-N 3.08Å
47	D	54.6	Low	54.9	Low	101 Å²	101	124.6 Å²	124.6	54%	0.54	69%	0.686	S	S	.	*			trans	-69.7	100	176.8	-75.8	-39.8	0	0	0	112.5	P45 A49 S50	P45-D47 PolarHBondContact O-N 3.16Å; D47-A49 PolarHBondContact O-N 2.79Å; D47-S50 WeakPolarHBondContact CB-OG 3.25Å; D47-S50 WeakPolarHBondContact O-CB 3.42Å; D47-S50 PolarHBondContact O-N 3.09Å; D47-S50 VanDerWaalsContact O-N 3.14Å
48	K	56.7	Low	56.5	Low	187 Å²	187	118.6 Å²	118.6	81%	0.813	67%	0.666	S	S	*	*	H	α-helix	trans	-56.1	-30.7	171.5	-75.4	-176.6	176.6	177.8	0	112.8	F46 S50 N51 M52	F46-K48 PolarHBondContact O-N 3.33Å; F46-K48 VanDerWaalsContact O-N 3.08Å; K48-S50 VanDerWaalsContact C-N 3.33Å; K48-S50 PolarHBondContact O-N 2.93Å; K48-N51 PolarHBondContact O-N 3.11Å; K48-M52 PolarHBondContact O-N 3.34Å
49	A	57	Low	58.4	Low	68 Å²	68	118.5 Å²	118.5	56%	0.562	65%	0.652	S	S	*	*	H	α-helix	trans	-60.3	-40.1	177.4	0	0	0	0	0	112.6	D47 N51 M52 T53	D47-A49 PolarHBondContact O-N 2.79Å; A49-N51 PolarHBondContact O-N 2.95Å; A49-M52 PolarHBondContact O-N 3.23Å; A49-M52 VanDerWaalsContact O-N 3.12Å; A49-T53 PolarHBondContact O-N 3.36Å; A49-T53 VanDerWaalsContact O-N 3.09Å; A49-T53 PolarHBondContact O-OG1 3.42Å
50	S	57.9	Low	60.6	Low	57 Å²	57	119.1 Å²	119.1	40%	0.399	64%	0.642	S	S	.	*	H	α-helix	trans	-62.9	-27.8	178.7	-56.6	0	0	0	0	112.9	D47 K48 T53 N54	D47-S50 WeakPolarHBondContact CB-OG 3.25Å; D47-S50 WeakPolarHBondContact O-CB 3.42Å; D47-S50 PolarHBondContact O-N 3.09Å; D47-S50 VanDerWaalsContact O-N 3.14Å; K48-S50 VanDerWaalsContact C-N 3.33Å; K48-S50 PolarHBondContact O-N 2.93Å; S50-T53 PolarHBondContact O-OG1 2.92Å; S50-N54 VanDerWaalsContact O-CG 3.29Å; S50-N54 PolarHBondContact O-N 3.19Å; S50-N54 PolarHBondContact O-ND2 3.34Å; S50-N54 VanDerWaalsContact O-ND2 3.11Å
51	N	58.1	Low	62.5	Low	106 Å²	106	114.9 Å²	114.9	57%	0.567	63%	0.628	S	S	*	*	H	α-helix	trans	-75.9	-38.7	175.8	-149.9	12.5	0	0	0	111.1	K48 A49 N54 I55	K48-N51 PolarHBondContact O-N 3.11Å; A49-N51 PolarHBondContact O-N 2.95Å; N51-N54 PolarHBondContact O-N 3.4Å; N51-I55 WeakPolarHBondContact O-CD1 3.39Å; N51-I55 VanDerWaalsContact O-CG1 3.25Å; N51-I55 WeakPolarHBondContact O-CG1 3.37Å; N51-I55 PolarHBondContact O-N 3.04Å
52	M	61	Low	65	Low	133 Å²	133	113.9 Å²	113.9	66%	0.655	61%	0.608	S	S	*	*	H	α-helix	trans	-65.7	-41.2	176.1	-68.7	-171.6	70.9	0	0	112.8	K48 A49 I55 V56	K48-M52 PolarHBondContact O-N 3.34Å; A49-M52 PolarHBondContact O-N 3.23Å; A49-M52 VanDerWaalsContact O-N 3.12Å; M52-I55 PolarHBondContact O-N 2.99Å; M52-V56 WeakPolarHBondContact O-CG2 3.49Å; M52-V56 PolarHBondContact O-N 2.95Å
53	T	64.5	Low	67.2	Low	91 Å²	91	115.5 Å²	115.5	56%	0.558	61%	0.606	S	S	*	*	H	α-helix	trans	-66.3	-38.4	177.3	48.8	0	0	0	0	112.4	A49 S50 S57	A49-T53 PolarHBondContact O-N 3.36Å; A49-T53 VanDerWaalsContact O-N 3.09Å; A49-T53 PolarHBondContact O-OG1 3.42Å; S50-T53 PolarHBondContact O-OG1 2.92Å; T53-S57 VanDerWaalsContact O-CB 3.25Å; T53-S57 WeakPolarHBondContact O-CB 3.48Å; T53-S57 PolarHBondContact O-N 2.91Å
54	N	65.6	Low	69.7	Low	106 Å²	106	107.9 Å²	107.9	57%	0.567	58%	0.584	S	S	*	*	H	α-helix	trans	-62.5	-44.1	172.5	-75.6	-25.5	0	0	0	112.2	S50 N51 S57 S58	S50-N54 VanDerWaalsContact O-CG 3.29Å; S50-N54 PolarHBondContact O-N 3.19Å; S50-N54 PolarHBondContact O-ND2 3.34Å; S50-N54 VanDerWaalsContact O-ND2 3.11Å; N51-N54 PolarHBondContact O-N 3.4Å; N54-S57 PolarHBondContact O-N 3.3Å; N54-S58 PolarHBondContact O-N 2.98Å; N54-S58 PolarHBondContact O-OG 2.82Å
55	I	68.7	Low	71.3	Confident	81 Å²	81	103.2 Å²	103.2	42%	0.415	57%	0.569	S	S	.	*	H	α-helix	trans	-60.1	-52.6	175.9	-71.6	164.7	0	0	0	110.4	N51 M52 S57 S58 H59	N51-I55 WeakPolarHBondContact O-CD1 3.39Å; N51-I55 VanDerWaalsContact O-CG1 3.25Å; N51-I55 WeakPolarHBondContact O-CG1 3.37Å; N51-I55 PolarHBondContact O-N 3.04Å; M52-I55 PolarHBondContact O-N 2.99Å; I55-S57 VanDerWaalsContact C-N 3.34Å; I55-S57 PolarHBondContact O-N 3.26Å; I55-S58 PolarHBondContact O-N 3.5Å; I55-S58 PolarHBondContact O-OG 3.25Å; I55-H59 PolarHBondContact O-CD2 3.06Å; I55-H59 PolarHBondContact O-N 2.95Å
56	V	74.9	Confident	73.3	Confident	82 Å²	82	101.7 Å²	101.7	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-59.1	-42.6	178.5	171.7	0	0	0	0	112	M52 H59 L60	M52-V56 WeakPolarHBondContact O-CG2 3.49Å; M52-V56 PolarHBondContact O-N 2.95Å; V56-H59 PolarHBondContact O-N 2.91Å; V56-L60 HydrophobicContact CG1-CD1 3.9Å; V56-L60 WeakPolarHBondContact O-CB 3.25Å; V56-L60 WeakPolarHBondContact O-CG 3.33Å; V56-L60 PolarHBondContact O-N 2.76Å
57	S	79.6	Confident	75.5	Confident	73 Å²	73	94 Å²	94	51%	0.51	53%	0.534	S	S	.	.	H	α-helix	trans	-61	-44.6	177.2	-174.2	0	0	0	0	112.5	T53 N54 I55 L60 L61	T53-S57 VanDerWaalsContact O-CB 3.25Å; T53-S57 WeakPolarHBondContact O-CB 3.48Å; T53-S57 PolarHBondContact O-N 2.91Å; N54-S57 PolarHBondContact O-N 3.3Å; I55-S57 VanDerWaalsContact C-N 3.34Å; I55-S57 PolarHBondContact O-N 3.26Å; S57-L60 PolarHBondContact O-N 2.9Å; S57-L61 PolarHBondContact O-N 3.44Å
58	S	82.1	Confident	77.4	Confident	69 Å²	69	94.3 Å²	94.3	48%	0.483	54%	0.535	S	S	.	.	H	α-helix	trans	-67.7	-37.5	178.1	63.9	0	0	0	0	113.4	N54 I55 L61 S62	N54-S58 PolarHBondContact O-N 2.98Å; N54-S58 PolarHBondContact O-OG 2.82Å; I55-S58 PolarHBondContact O-N 3.5Å; I55-S58 PolarHBondContact O-OG 3.25Å; S58-L61 PolarHBondContact O-N 3.43Å; S58-S62 WeakPolarHBondContact O-CB 3.35Å; S58-S62 PolarHBondContact O-N 2.77Å
59	H	84.7	Confident	79.1	Confident	117 Å²	117	91.9 Å²	91.9	54%	0.542	53%	0.528	S	S	.	.	H	α-helix	trans	-65.3	-41.7	171.9	-73.4	-60.8	0	0	0	112.3	I55 V56 L61 S62 M63	I55-H59 PolarHBondContact O-CD2 3.06Å; I55-H59 PolarHBondContact O-N 2.95Å; V56-H59 PolarHBondContact O-N 2.91Å; H59-L61 PolarHBondContact O-N 2.93Å; H59-S62 WeakPolarHBondContact O-CB 3.34Å; H59-S62 PolarHBondContact O-N 2.97Å; H59-M63 WeakPolarHBondContact O-CG 3.4Å; H59-M63 PolarHBondContact O-N 2.74Å
60	L	84.8	Confident	80.7	Confident	107 Å²	107	92.4 Å²	92.4	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-60.3	-44.8	174.2	-78.3	165.2	0	0	0	111.7	V56 S57 S62 M63 V64	V56-L60 HydrophobicContact CG1-CD1 3.9Å; V56-L60 WeakPolarHBondContact O-CB 3.25Å; V56-L60 WeakPolarHBondContact O-CG 3.33Å; V56-L60 PolarHBondContact O-N 2.76Å; S57-L60 PolarHBondContact O-N 2.9Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.16Å; L60-M63 PolarHBondContact O-N 3.06Å; L60-V64 WeakPolarHBondContact O-CG2 3.43Å; L60-V64 PolarHBondContact O-N 2.94Å
61	L	87.4	Confident	82.3	Confident	116 Å²	116	92.4 Å²	92.4	61%	0.607	53%	0.528	S	S	*	.	H	α-helix	trans	-64.1	-37	177	-173.6	61.6	0	0	0	112	S57 S58 H59 T65	S57-L61 PolarHBondContact O-N 3.44Å; S58-L61 PolarHBondContact O-N 3.43Å; H59-L61 PolarHBondContact O-N 2.93Å; L61-T65 HydrophobicContact CD1-CG2 4.35Å; L61-T65 WeakPolarHBondContact O-CB 3.45Å; L61-T65 WeakPolarHBondContact O-CG2 3.49Å; L61-T65 PolarHBondContact O-N 3.42Å; L61-T65 PolarHBondContact O-OG1 3.4Å
62	S	90.1	Very high	83.8	Confident	67 Å²	67	89.3 Å²	89.3	47%	0.469	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-43.8	174	-171.8	0	0	0	0	112.4	S58 H59 L60 T65 T66	S58-S62 WeakPolarHBondContact O-CB 3.35Å; S58-S62 PolarHBondContact O-N 2.77Å; H59-S62 WeakPolarHBondContact O-CB 3.34Å; H59-S62 PolarHBondContact O-N 2.97Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.16Å; S62-T65 WeakPolarHBondContact CA-OG1 3.28Å; S62-T65 PolarHBondContact O-OG1 2.92Å; S62-T66 WeakPolarHBondContact O-CB 3.46Å; S62-T66 WeakPolarHBondContact O-CG2 3.24Å; S62-T66 PolarHBondContact O-N 3.39Å; S62-T66 PolarHBondContact O-OG1 3.5Å
63	M	90.3	Very high	85	Confident	138 Å²	138	88 Å²	88	68%	0.68	51%	0.512	S	S	*	.	H	α-helix	trans	-62.7	-44.9	175	-71.3	-72	179.1	0	0	111.8	H59 L60 T66 A67	H59-M63 WeakPolarHBondContact O-CG 3.4Å; H59-M63 PolarHBondContact O-N 2.74Å; L60-M63 PolarHBondContact O-N 3.06Å; M63-T66 PolarHBondContact O-OG1 2.95Å; M63-T66 VanDerWaalsContact O-OG1 3.06Å; M63-A67 VanDerWaalsContact O-CB 3.28Å; M63-A67 WeakPolarHBondContact O-CB 3.26Å; M63-A67 PolarHBondContact O-N 3.42Å
64	V	92.2	Very high	86.1	Confident	80 Å²	80	89.1 Å²	89.1	49%	0.485	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-43.5	178.8	170.5	0	0	0	0	111.5	L60 A67 I68	L60-V64 WeakPolarHBondContact O-CG2 3.43Å; L60-V64 PolarHBondContact O-N 2.94Å; V64-A67 PolarHBondContact O-N 3.45Å; V64-I68 HydrophobicContact CG1-CD1 3.8Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.39Å; V64-I68 PolarHBondContact O-N 3.47Å
65	T	90.8	Very high	86.8	Confident	67 Å²	67	89.6 Å²	89.6	41%	0.411	52%	0.516	S	S	.	.	H	α-helix	trans	-68.6	-38.3	179.3	49	0	0	0	0	112.5	L61 S62 I68 M69	L61-T65 HydrophobicContact CD1-CG2 4.35Å; L61-T65 WeakPolarHBondContact O-CB 3.45Å; L61-T65 WeakPolarHBondContact O-CG2 3.49Å; L61-T65 PolarHBondContact O-N 3.42Å; L61-T65 PolarHBondContact O-OG1 3.4Å; S62-T65 WeakPolarHBondContact CA-OG1 3.28Å; S62-T65 PolarHBondContact O-OG1 2.92Å; T65-I68 PolarHBondContact O-N 2.87Å; T65-M69 WeakPolarHBondContact O-CB 3.38Å; T65-M69 VanDerWaalsContact O-CG 3.26Å; T65-M69 WeakPolarHBondContact O-CG 3.43Å; T65-M69 PolarHBondContact O-N 2.93Å
66	T	92.1	Very high	87.3	Confident	74 Å²	74	94.6 Å²	94.6	45%	0.454	53%	0.53	S	S	.	.	H	α-helix	trans	-68.1	-37.6	173.6	50.7	0	0	0	0	112.5	S62 M63 M69 T70	S62-T66 WeakPolarHBondContact O-CB 3.46Å; S62-T66 WeakPolarHBondContact O-CG2 3.24Å; S62-T66 PolarHBondContact O-N 3.39Å; S62-T66 PolarHBondContact O-OG1 3.5Å; M63-T66 PolarHBondContact O-OG1 2.95Å; M63-T66 VanDerWaalsContact O-OG1 3.06Å; T66-M69 PolarHBondContact O-N 2.86Å; T66-T70 WeakPolarHBondContact O-CB 3.46Å; T66-T70 WeakPolarHBondContact O-CG2 3.49Å; T66-T70 PolarHBondContact O-N 3.41Å; T66-T70 PolarHBondContact O-OG1 3.22Å
67	A	93.4	Very high	87.3	Confident	54 Å²	54	94.2 Å²	94.2	45%	0.446	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-44	171.6	0	0	0	0	0	112.3	M63 V64 T70 A71	M63-A67 VanDerWaalsContact O-CB 3.28Å; M63-A67 WeakPolarHBondContact O-CB 3.26Å; M63-A67 PolarHBondContact O-N 3.42Å; V64-A67 PolarHBondContact O-N 3.45Å; A67-T70 WeakPolarHBondContact CA-OG1 3.38Å; A67-T70 PolarHBondContact O-OG1 2.93Å; A67-T70 VanDerWaalsContact O-OG1 3.06Å; A67-A71 VanDerWaalsContact O-CB 3.24Å; A67-A71 WeakPolarHBondContact O-CB 3.39Å; A67-A71 PolarHBondContact O-N 2.87Å
68	I	93.4	Very high	86.9	Confident	107 Å²	107	94.7 Å²	94.7	55%	0.549	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-44	176.3	-69.7	167	0	0	0	111.1	V64 T65 A71 A72	V64-I68 HydrophobicContact CG1-CD1 3.8Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.39Å; V64-I68 PolarHBondContact O-N 3.47Å; T65-I68 PolarHBondContact O-N 2.87Å; I68-A71 PolarHBondContact O-N 2.95Å; I68-A72 VanDerWaalsContact O-CB 3.28Å; I68-A72 WeakPolarHBondContact O-CB 3.28Å; I68-A72 PolarHBondContact O-N 3.35Å
69	M	91.9	Very high	86.4	Confident	136 Å²	136	95 Å²	95	67%	0.67	53%	0.526	S	S	*	.	H	α-helix	trans	-67.8	-38.8	-179.7	-73.8	-66.5	-72.1	0	0	112.8	T65 T66 L73	T65-M69 WeakPolarHBondContact O-CB 3.38Å; T65-M69 VanDerWaalsContact O-CG 3.26Å; T65-M69 WeakPolarHBondContact O-CG 3.43Å; T65-M69 PolarHBondContact O-N 2.93Å; T66-M69 PolarHBondContact O-N 2.86Å; M69-L73 WeakPolarHBondContact O-CB 3.31Å; M69-L73 PolarHBondContact O-N 3.32Å
70	T	90.9	Very high	85.7	Confident	80 Å²	80	94.4 Å²	94.4	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-69.5	-42.5	174.5	49.1	0	0	0	0	111.6	T66 A67 A72 L73 L74	T66-T70 WeakPolarHBondContact O-CB 3.46Å; T66-T70 WeakPolarHBondContact O-CG2 3.49Å; T66-T70 PolarHBondContact O-N 3.41Å; T66-T70 PolarHBondContact O-OG1 3.22Å; A67-T70 WeakPolarHBondContact CA-OG1 3.38Å; A67-T70 PolarHBondContact O-OG1 2.93Å; A67-T70 VanDerWaalsContact O-OG1 3.06Å; T70-A72 PolarHBondContact O-N 3.42Å; T70-L73 PolarHBondContact O-N 2.87Å; T70-L74 WeakPolarHBondContact O-CB 3.3Å; T70-L74 VanDerWaalsContact O-CG 3.31Å; T70-L74 WeakPolarHBondContact O-CG 3.44Å; T70-L74 PolarHBondContact O-N 3.48Å
71	A	91.2	Very high	84.7	Confident	56 Å²	56	92.4 Å²	92.4	46%	0.463	53%	0.529	S	S	.	.	H	α-helix	trans	-59.8	-43	172.6	0	0	0	0	0	112.2	A67 I68 L73 L74 L75	A67-A71 VanDerWaalsContact O-CB 3.24Å; A67-A71 WeakPolarHBondContact O-CB 3.39Å; A67-A71 PolarHBondContact O-N 2.87Å; I68-A71 PolarHBondContact O-N 2.95Å; A71-L73 PolarHBondContact O-N 2.81Å; A71-L74 PolarHBondContact O-N 2.99Å; A71-L75 WeakPolarHBondContact O-CB 3.44Å; A71-L75 PolarHBondContact O-N 3.43Å
72	A	89.3	Confident	83.8	Confident	41 Å²	41	90.5 Å²	90.5	34%	0.339	53%	0.526	S	S	.	.	H	α-helix	trans	-66	-35.4	175.9	0	0	0	0	0	112.8	I68 T70 R76	I68-A72 VanDerWaalsContact O-CB 3.28Å; I68-A72 WeakPolarHBondContact O-CB 3.28Å; I68-A72 PolarHBondContact O-N 3.35Å; T70-A72 PolarHBondContact O-N 3.42Å; A72-R76 WeakPolarHBondContact O-CB 3.26Å; A72-R76 VanDerWaalsContact O-CG 3.26Å; A72-R76 WeakPolarHBondContact O-CG 3.28Å; A72-R76 PolarHBondContact O-N 2.86Å
73	L	87.7	Confident	83	Confident	107 Å²	107	93.4 Å²	93.4	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-68.6	-45.6	173.8	-178.8	60.2	0	0	0	111.5	M69 T70 A71 L75 R76 T77	M69-L73 WeakPolarHBondContact O-CB 3.31Å; M69-L73 PolarHBondContact O-N 3.32Å; T70-L73 PolarHBondContact O-N 2.87Å; A71-L73 PolarHBondContact O-N 2.81Å; L73-L75 PolarHBondContact O-N 3.47Å; L73-R76 PolarHBondContact O-N 3.2Å; L73-T77 HydrophobicContact CD1-CG2 4.44Å; L73-T77 WeakPolarHBondContact O-CG2 3.22Å; L73-T77 PolarHBondContact O-N 3Å; L73-T77 PolarHBondContact O-OG1 3.36Å
74	L	86.2	Confident	82.7	Confident	113 Å²	113	89 Å²	89	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-61.2	-42.8	175.4	-71	169.7	0	0	0	111.5	T70 A71 R76 T77 T78	T70-L74 WeakPolarHBondContact O-CB 3.3Å; T70-L74 VanDerWaalsContact O-CG 3.31Å; T70-L74 WeakPolarHBondContact O-CG 3.44Å; T70-L74 PolarHBondContact O-N 3.48Å; A71-L74 PolarHBondContact O-N 2.99Å; L74-R76 PolarHBondContact O-N 2.92Å; L74-T77 WeakPolarHBondContact CA-OG1 3.33Å; L74-T77 PolarHBondContact O-N 3.07Å; L74-T77 PolarHBondContact O-OG1 3.16Å; L74-T78 WeakPolarHBondContact O-CB 3.43Å; L74-T78 WeakPolarHBondContact O-CG2 3.5Å; L74-T78 PolarHBondContact O-N 3.1Å; L74-T78 PolarHBondContact O-OG1 3.35Å
75	L	81.1	Confident	82.6	Confident	117 Å²	117	87.9 Å²	87.9	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-62.8	-40.4	174.4	-167	70	0	0	0	111.8	A71 L73 T78 V79	A71-L75 WeakPolarHBondContact O-CB 3.44Å; A71-L75 PolarHBondContact O-N 3.43Å; L73-L75 PolarHBondContact O-N 3.47Å; L75-T78 WeakPolarHBondContact CA-OG1 3.36Å; L75-T78 PolarHBondContact O-OG1 3.25Å; L75-T78 VanDerWaalsContact O-OG1 3.07Å; L75-V79 WeakPolarHBondContact O-CB 3.41Å; L75-V79 VanDerWaalsContact O-CG2 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.46Å; L75-V79 PolarHBondContact O-N 2.72Å
76	R	78.8	Confident	82.8	Confident	186 Å²	186	91.2 Å²	91.2	70%	0.702	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-46	173.7	-76.8	172	178.1	-169.1	0.8	112.3	A72 L73 L74 V79 V80	A72-R76 WeakPolarHBondContact O-CB 3.26Å; A72-R76 VanDerWaalsContact O-CG 3.26Å; A72-R76 WeakPolarHBondContact O-CG 3.28Å; A72-R76 PolarHBondContact O-N 2.86Å; L73-R76 PolarHBondContact O-N 3.2Å; L74-R76 PolarHBondContact O-N 2.92Å; R76-V79 PolarHBondContact O-N 3.17Å; R76-V80 WeakPolarHBondContact O-CB 3.38Å; R76-V80 VanDerWaalsContact O-CG2 3.29Å; R76-V80 WeakPolarHBondContact O-CG2 3.48Å; R76-V80 PolarHBondContact O-N 3.47Å
77	T	74.6	Confident	82.8	Confident	74 Å²	74	91.3 Å²	91.3	45%	0.454	52%	0.515	S	S	.	.	H	α-helix	trans	-66.3	-40.2	-179.9	58	0	0	0	0	112.5	L73 L74 V80 A81	L73-T77 HydrophobicContact CD1-CG2 4.44Å; L73-T77 WeakPolarHBondContact O-CG2 3.22Å; L73-T77 PolarHBondContact O-N 3Å; L73-T77 PolarHBondContact O-OG1 3.36Å; L74-T77 WeakPolarHBondContact CA-OG1 3.33Å; L74-T77 PolarHBondContact O-N 3.07Å; L74-T77 PolarHBondContact O-OG1 3.16Å; T77-V80 PolarHBondContact O-N 2.92Å; T77-A81 VanDerWaalsContact O-CB 3.3Å; T77-A81 WeakPolarHBondContact O-CB 3.49Å; T77-A81 PolarHBondContact O-N 3.44Å
78	T	72	Confident	82.8	Confident	83 Å²	83	92.4 Å²	92.4	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-67.5	-41.2	175.9	48.4	0	0	0	0	112.3	L74 L75 A81 S82	L74-T78 WeakPolarHBondContact O-CB 3.43Å; L74-T78 WeakPolarHBondContact O-CG2 3.5Å; L74-T78 PolarHBondContact O-N 3.1Å; L74-T78 PolarHBondContact O-OG1 3.35Å; L75-T78 WeakPolarHBondContact CA-OG1 3.36Å; L75-T78 PolarHBondContact O-OG1 3.25Å; L75-T78 VanDerWaalsContact O-OG1 3.07Å; T78-A81 PolarHBondContact O-N 3.23Å; T78-S82 PolarHBondContact O-N 3.14Å; T78-S82 PolarHBondContact O-OG 3.39Å
79	V	71.4	Confident	82.5	Confident	76 Å²	76	92.5 Å²	92.5	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-60.6	-49	172	169	0	0	0	0	110.8	L75 R76 A81 S82 M83	L75-V79 WeakPolarHBondContact O-CB 3.41Å; L75-V79 VanDerWaalsContact O-CG2 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.46Å; L75-V79 PolarHBondContact O-N 2.72Å; R76-V79 PolarHBondContact O-N 3.17Å; V79-A81 VanDerWaalsContact C-N 3.33Å; V79-A81 PolarHBondContact O-N 3.41Å; V79-S82 PolarHBondContact O-N 3.06Å; V79-S82 PolarHBondContact O-OG 3.47Å; V79-M83 WeakPolarHBondContact O-CG 3.29Å; V79-M83 PolarHBondContact O-N 2.91Å; V79-M83 VanDerWaalsContact O-N 3.1Å
80	V	70.8	Confident	82.6	Confident	104 Å²	104	87 Å²	87	63%	0.63	48%	0.482	S	S	*	.	H	α-helix	trans	-59.4	-42	176.5	169.9	0	0	0	0	111.8	R76 T77 M83 A84	R76-V80 WeakPolarHBondContact O-CB 3.38Å; R76-V80 VanDerWaalsContact O-CG2 3.29Å; R76-V80 WeakPolarHBondContact O-CG2 3.48Å; R76-V80 PolarHBondContact O-N 3.47Å; T77-V80 PolarHBondContact O-N 2.92Å; V80-M83 CarbonylContact O-C 3.47Å; V80-M83 PolarHBondContact O-N 2.69Å; V80-M83 VanDerWaalsContact O-N 3.16Å; V80-A84 PolarHBondContact O-N 3.42Å
81	A	64	Low	82.8	Confident	64 Å²	64	86.5 Å²	86.5	53%	0.529	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-38.8	177.2	0	0	0	0	0	112.8	T77 T78 V79 M83 A84	T77-A81 VanDerWaalsContact O-CB 3.3Å; T77-A81 WeakPolarHBondContact O-CB 3.49Å; T77-A81 PolarHBondContact O-N 3.44Å; T78-A81 PolarHBondContact O-N 3.23Å; V79-A81 VanDerWaalsContact C-N 3.33Å; V79-A81 PolarHBondContact O-N 3.41Å; A81-M83 PolarHBondContact O-N 2.64Å; A81-A84 VanDerWaalsContact O-CB 3.26Å; A81-A84 WeakPolarHBondContact O-CB 3.5Å; A81-A84 PolarHBondContact O-N 3.13Å; A81-A84 VanDerWaalsContact O-N 3.14Å
82	S	67.9	Low	83	Confident	76 Å²	76	89.1 Å²	89.1	53%	0.531	49%	0.491	S	S	.	.	H	α-helix	trans	-67.1	-23.4	173.6	69	0	0	0	0	113.7	T78 V79	T78-S82 PolarHBondContact O-N 3.14Å; T78-S82 PolarHBondContact O-OG 3.39Å; V79-S82 PolarHBondContact O-N 3.06Å; V79-S82 PolarHBondContact O-OG 3.47Å
83	M	73.4	Confident	83.3	Confident	129 Å²	129	90.7 Å²	90.7	64%	0.635	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	7.6	173.9	-62.7	-65.4	165.1	0	0	113.3	V79 V80 A81 P218	V79-M83 WeakPolarHBondContact O-CG 3.29Å; V79-M83 PolarHBondContact O-N 2.91Å; V79-M83 VanDerWaalsContact O-N 3.1Å; V80-M83 CarbonylContact O-C 3.47Å; V80-M83 PolarHBondContact O-N 2.69Å; V80-M83 VanDerWaalsContact O-N 3.16Å; A81-M83 PolarHBondContact O-N 2.64Å; M83-P218 HydrophobicContact SD-CB 4.39Å
84	A	84.1	Confident	83.7	Confident	46 Å²	46	87.1 Å²	87.1	38%	0.38	49%	0.485	S	S	.	.	S	Bend	trans	-82.9	137.7	175.9	0	0	0	0	0	112.6	V80 A81 R86 P218	V80-A84 PolarHBondContact O-N 3.42Å; A81-A84 VanDerWaalsContact O-CB 3.26Å; A81-A84 WeakPolarHBondContact O-CB 3.5Å; A81-A84 PolarHBondContact O-N 3.13Å; A81-A84 VanDerWaalsContact O-N 3.14Å; A84-R86 PolarHBondContact O-N 2.89Å; A84-P218 WeakPolarHBondContact O-CG 3.49Å
85	T	90.8	Very high	84.2	Confident	56 Å²	56	83.1 Å²	83.1	34%	0.344	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-65	125.7	169.2	-58.5	0	0	0	0	110.1	L87 C134 A215 F216	T85-L87 HydrophobicContact CG2-CD2 3.89Å; T85-C134 WeakPolarHBondContact CG2-SG 3.27Å; T85-C134 PolarHBondContact OG1-SG 3.28Å; T85-C134 VanDerWaalsContact OG1-SG 3.39Å; T85-A215 HydrophobicContact CG2-CB 3.87Å; T85-F216 WeakPolarHBondContact CA-O 3.27Å
86	R	93	Very high	85	Confident	137 Å²	137	82.1 Å²	82.1	52%	0.517	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.6	177.6	-67.1	175.1	-74.2	-179.2	-1.4	109.3	A84 A215 F216	A84-R86 PolarHBondContact O-N 2.89Å; R86-A215 CarbonylContact O-C 3.54Å; R86-A215 VanDerWaalsContact O-CA 3.25Å; R86-A215 WeakPolarHBondContact O-CA 3.26Å; R86-F216 HydrophobicContact CB-CB 4.31Å; R86-F216 PolarHBondContact N-O 3.04Å; R86-F216 VanDerWaalsContact NH2-CD1 3.26Å; R86-F216 VanDerWaalsContact NH2-CE1 3.34Å; R86-F216 PolarHBondContact O-N 3.4Å
87	L	93.7	Very high	85.9	Confident	76 Å²	76	74.2 Å²	74.2	40%	0.398	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.8	-178.5	-52.4	-178.7	0	0	0	111	T85 K128 A215	T85-L87 HydrophobicContact CG2-CD2 3.89Å; L87-K128 HydrophobicContact CD1-CG 4.31Å; L87-A215 HydrophobicContact CD2-CB 3.82Å
88	Y	92.4	Very high	87	Confident	76 Å²	76	70.8 Å²	70.8	30%	0.298	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.3	176.5	-55.1	-75.1	0	0	0	110.3	L165 A214 F216	Y88-L165 HydrophobicContact CD2-CD2 3.92Å; Y88-L165 HydrophobicContact CG-CD2 3.99Å; Y88-A214 HydrophobicContact CD2-CB 4.16Å; Y88-A214 PolarHBondContact N-O 2.94Å; Y88-A214 PolarHBondContact O-N 3.09Å; Y88-F216 HydrophobicContact CE2-CB 3.85Å
89	D	87.9	Confident	88.3	Confident	110 Å²	110	67.9 Å²	67.9	59%	0.588	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-74	143.9	157.6	-59.6	-67.5	0	0	0	108.8	K128	D89-K128 WeakPolarHBondContact OD1-CD 3.14Å; D89-K128 VanDerWaalsContact OD1-CE 3.28Å; D89-K128 WeakPolarHBondContact OD1-CE 3.49Å; D89-K128 IonicContact OD1-NZ 2.69Å; D89-K128 PolarHBondContact OD1-NZ 3.45Å; D89-K128 IonicContact OD2-NZ 2.64Å; D89-K128 PolarHBondContact OD2-NZ 3.02Å
90	F	93.9	Very high	89.5	Confident	19 Å²	19	72.7 Å²	72.7	8%	0.083	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-81	131.4	-179.5	-76.2	10.7	0	0	0	110.4	Q94 I95 V98 W119 M169 C212 A214 I232	F90-Q94 HydrophobicContact CB-CB 3.95Å; F90-Q94 HydrophobicContact CD2-CB 4.25Å; F90-Q94 HydrophobicContact CG-CB 4.15Å; F90-I95 HydrophobicContact CB-CG1 3.78Å; F90-I95 WeakPolarHBondContact O-CD1 3.29Å; F90-V98 HydrophobicContact CD2-CG2 4.2Å; F90-V98 HydrophobicContact CE2-CG2 3.95Å; F90-W119 AromaticContact CD2-CH2 3.97Å; F90-W119 HydrophobicContact CD2-CH2 3.97Å; F90-M169 HydrophobicContact CD2-CG 4.24Å; F90-M169 HydrophobicContact CE1-CG 4.49Å; F90-M169 HydrophobicContact CE1-SD 3.84Å; F90-M169 HydrophobicContact CE2-CB 4.14Å; F90-M169 HydrophobicContact CE2-CG 3.81Å; F90-M169 HydrophobicContact CE2-SD 3.82Å; F90-M169 HydrophobicContact CZ-CG 3.95Å; F90-M169 HydrophobicContact CZ-SD 3.35Å; F90-M169 WeakPolarHBondContact CZ-SD 3.47Å; F90-C212 HydrophobicContact CD2-CB 4.23Å; F90-C212 HydrophobicContact CE2-CB 3.65Å; F90-C212 HydrophobicContact CZ-CB 4.2Å; F90-A214 HydrophobicContact CE1-CB 3.79Å; F90-A214 HydrophobicContact CZ-CB 4.41Å; F90-I232 HydrophobicContact CZ-CG2 4.12Å
91	T	95.1	Very high	90.9	Very high	71 Å²	71	69 Å²	69	44%	0.436	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-61.5	157.3	170.4	59.1	0	0	0	0	110.8	A93 Q94 I95	T91-A93 PolarHBondContact O-N 3.3Å; T91-A93 VanDerWaalsContact O-N 3.09Å; T91-Q94 WeakPolarHBondContact O-CA 3.37Å; T91-Q94 WeakPolarHBondContact O-CB 3.25Å; T91-Q94 PolarHBondContact O-N 2.85Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.28Å; T91-Q94 PolarHBondContact OG1-N 2.81Å; T91-Q94 PolarHBondContact OG1-OE1 3.38Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 2.9Å
92	P	95.5	Very high	92.5	Very high	111 Å²	111	66 Å²	66	72%	0.721	35%	0.351	S	S	*	.	H	α-helix	trans	-53.2	-33.2	175.5	-28.8	36.3	0	0	0	113.9	Q96	P92-Q96 VanDerWaalsContact O-CB 3.29Å; P92-Q96 WeakPolarHBondContact O-CB 3.35Å; P92-Q96 PolarHBondContact O-N 2.95Å
93	A	95.6	Very high	94	Very high	74 Å²	74	63.4 Å²	63.4	61%	0.612	33%	0.332	S	S	*	.	H	α-helix	trans	-66.1	-43.7	174	0	0	0	0	0	112.6	T91 Q96 A97	T91-A93 PolarHBondContact O-N 3.3Å; T91-A93 VanDerWaalsContact O-N 3.09Å; A93-Q96 PolarHBondContact O-N 3.33Å; A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 2.8Å
94	Q	95.9	Very high	95.2	Very high	31 Å²	31	63.8 Å²	63.8	15%	0.145	33%	0.327	C	S	.	.	H	α-helix	trans	-67.8	-40.8	176	-74.3	166	-52.8	0	0	112.2	F90 T91 Q96 A97 V98 M169	F90-Q94 HydrophobicContact CB-CB 3.95Å; F90-Q94 HydrophobicContact CD2-CB 4.25Å; F90-Q94 HydrophobicContact CG-CB 4.15Å; T91-Q94 WeakPolarHBondContact O-CA 3.37Å; T91-Q94 WeakPolarHBondContact O-CB 3.25Å; T91-Q94 PolarHBondContact O-N 2.85Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.28Å; T91-Q94 PolarHBondContact OG1-N 2.81Å; T91-Q94 PolarHBondContact OG1-OE1 3.38Å; Q94-Q96 VanDerWaalsContact C-N 3.33Å; Q94-Q96 PolarHBondContact O-N 2.8Å; Q94-A97 PolarHBondContact O-N 2.79Å; Q94-V98 WeakPolarHBondContact O-CG2 3.23Å; Q94-V98 PolarHBondContact O-N 3.01Å; Q94-M169 HydrophobicContact CB-CB 4.47Å; Q94-M169 HydrophobicContact CB-CG 3.87Å; Q94-M169 HydrophobicContact CG-CG 3.81Å
95	I	97.4	Very high	95.9	Very high	30 Å²	30	62 Å²	62	15%	0.154	31%	0.311	C	S	.	.	H	α-helix	trans	-56.9	-48.9	171.9	-67.5	173.9	0	0	0	109.8	F90 T91 A97 V98 L99 W119	F90-I95 HydrophobicContact CB-CG1 3.78Å; F90-I95 WeakPolarHBondContact O-CD1 3.29Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 2.9Å; I95-A97 VanDerWaalsContact C-N 3.33Å; I95-A97 PolarHBondContact O-N 3.16Å; I95-V98 PolarHBondContact O-N 3.41Å; I95-L99 HydrophobicContact CG2-CD1 4.46Å; I95-L99 WeakPolarHBondContact O-CG 3.07Å; I95-L99 PolarHBondContact O-N 3.28Å; I95-W119 HydrophobicContact CB-CD2 4.46Å; I95-W119 HydrophobicContact CD1-CZ2 4.02Å; I95-W119 HydrophobicContact CG1-CD2 4.23Å; I95-W119 HydrophobicContact CG1-CE3 4.5Å; I95-W119 HydrophobicContact CG1-CH2 3.97Å; I95-W119 HydrophobicContact CG1-CZ2 3.72Å; I95-W119 HydrophobicContact CG1-CZ3 4.38Å; I95-W119 HydrophobicContact CG2-CB 4.03Å; I95-W119 HydrophobicContact CG2-CD2 3.61Å; I95-W119 HydrophobicContact CG2-CE3 3.83Å; I95-W119 HydrophobicContact CG2-CG 3.72Å; I95-W119 HydrophobicContact CG2-CZ3 4.4Å
96	Q	97.2	Very high	96.2	Very high	96 Å²	96	59.4 Å²	59.4	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-67.1	-32.1	-180	-172.9	55.2	74	0	0	112.9	P92 A93 Q94 R100	P92-Q96 VanDerWaalsContact O-CB 3.29Å; P92-Q96 WeakPolarHBondContact O-CB 3.35Å; P92-Q96 PolarHBondContact O-N 2.95Å; A93-Q96 PolarHBondContact O-N 3.33Å; Q94-Q96 VanDerWaalsContact C-N 3.33Å; Q94-Q96 PolarHBondContact O-N 2.8Å; Q96-R100 WeakPolarHBondContact O-CB 3.33Å; Q96-R100 PolarHBondContact O-N 3.44Å
97	A	97.2	Very high	96.5	Very high	20 Å²	20	54.1 Å²	54.1	17%	0.165	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-46.9	172.2	0	0	0	0	0	111.6	A93 Q94 I95 L99 R100 E101	A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 2.8Å; Q94-A97 PolarHBondContact O-N 2.79Å; I95-A97 VanDerWaalsContact C-N 3.33Å; I95-A97 PolarHBondContact O-N 3.16Å; A97-L99 PolarHBondContact O-N 3.28Å; A97-R100 PolarHBondContact O-N 2.91Å; A97-E101 WeakPolarHBondContact O-CB 3.42Å; A97-E101 PolarHBondContact O-N 3.15Å
98	V	98.3	Very high	96.6	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-46.5	175.5	172.1	0	0	0	0	111.5	F90 Q94 I95 H102 W119 M169 I173	F90-V98 HydrophobicContact CD2-CG2 4.2Å; F90-V98 HydrophobicContact CE2-CG2 3.95Å; Q94-V98 WeakPolarHBondContact O-CG2 3.23Å; Q94-V98 PolarHBondContact O-N 3.01Å; I95-V98 PolarHBondContact O-N 3.41Å; V98-H102 WeakPolarHBondContact CG1-ND1 3.08Å; V98-H102 WeakPolarHBondContact O-CB 3.49Å; V98-H102 PolarHBondContact O-N 2.65Å; V98-H102 VanDerWaalsContact O-N 3.13Å; V98-H102 PolarHBondContact O-ND1 3.32Å; V98-W119 HydrophobicContact CB-CZ3 4.43Å; V98-W119 HydrophobicContact CG1-CZ3 4.17Å; V98-M169 HydrophobicContact CG2-CB 3.61Å; V98-I173 HydrophobicContact CG1-CD1 4.26Å; V98-I173 HydrophobicContact CG1-CG1 4.33Å
99	L	98.4	Very high	96.8	Very high	23 Å²	23	51.1 Å²	51.1	12%	0.12	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-44.7	178.5	-69	-175.1	0	0	0	112.5	I95 A97 E101 N103 W119 V210	I95-L99 HydrophobicContact CG2-CD1 4.46Å; I95-L99 WeakPolarHBondContact O-CG 3.07Å; I95-L99 PolarHBondContact O-N 3.28Å; A97-L99 PolarHBondContact O-N 3.28Å; L99-E101 PolarHBondContact O-N 3.18Å; L99-N103 VanDerWaalsContact O-CB 3.31Å; L99-N103 WeakPolarHBondContact O-CB 3.48Å; L99-N103 PolarHBondContact O-N 2.72Å; L99-N103 PolarHBondContact O-ND2 3.2Å; L99-W119 HydrophobicContact CD1-CB 4.08Å; L99-W119 HydrophobicContact CD2-CB 4.31Å; L99-W119 HydrophobicContact CG-CB 4.49Å; L99-V210 HydrophobicContact CD2-CG1 3.76Å
100	R	97.9	Very high	97.2	Very high	177 Å²	177	47.6 Å²	47.6	67%	0.668	25%	0.251	S	S	*	.	H	α-helix	trans	-59.5	-47.9	-179.7	-178.8	-174	-66.7	170.6	-1.4	110.6	Q96 A97 N103 Y104	Q96-R100 WeakPolarHBondContact O-CB 3.33Å; Q96-R100 PolarHBondContact O-N 3.44Å; A97-R100 PolarHBondContact O-N 2.91Å; R100-N103 PolarHBondContact O-N 2.92Å; R100-Y104 VanDerWaalsContact O-CB 3.28Å; R100-Y104 WeakPolarHBondContact O-CB 3.26Å; R100-Y104 PolarHBondContact O-N 2.82Å
101	E	98.6	Very high	97.4	Very high	27 Å²	27	46.8 Å²	46.8	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-47.6	-178.6	-167.5	68.7	-127	0	0	111.8	A97 L99 N103 Y104 L105 I173 R174	A97-E101 WeakPolarHBondContact O-CB 3.42Å; A97-E101 PolarHBondContact O-N 3.15Å; L99-E101 PolarHBondContact O-N 3.18Å; E101-N103 VanDerWaalsContact C-N 3.34Å; E101-N103 PolarHBondContact O-N 2.88Å; E101-Y104 PolarHBondContact O-N 3.42Å; E101-L105 HydrophobicContact CG-CD1 3.78Å; E101-L105 HydrophobicContact CG-CG 4.34Å; E101-L105 WeakPolarHBondContact O-CB 3.31Å; E101-L105 VanDerWaalsContact O-CG 3.25Å; E101-L105 WeakPolarHBondContact O-CG 3.33Å; E101-L105 PolarHBondContact O-N 3.09Å; E101-I173 HydrophobicContact CB-CB 4.23Å; E101-I173 HydrophobicContact CB-CG2 4.48Å; E101-I173 HydrophobicContact CG-CB 3.9Å; E101-I173 HydrophobicContact CG-CG2 4.17Å; E101-R174 HydrophobicContact CG-CG 3.73Å; E101-R174 WeakPolarHBondContact OE1-CD 3.42Å; E101-R174 VanDerWaalsContact OE1-CG 3.26Å; E101-R174 WeakPolarHBondContact OE1-CG 3.33Å; E101-R174 WeakPolarHBondContact OE2-CD 3.38Å; E101-R174 IonicContact OE2-CZ 3.64Å; E101-R174 IonicContact OE2-NE 3.24Å; E101-R174 IonicContact OE2-NH1 3.64Å; E101-R174 PolarHBondContact OE2-NH1 3.34Å
102	H	98.7	Very high	97.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-55.7	-49.1	175	-82.6	101	0	0	0	112	V98 L105 R106 L117 I173 Y236	V98-H102 WeakPolarHBondContact CG1-ND1 3.08Å; V98-H102 WeakPolarHBondContact O-CB 3.49Å; V98-H102 PolarHBondContact O-N 2.65Å; V98-H102 VanDerWaalsContact O-N 3.13Å; V98-H102 PolarHBondContact O-ND1 3.32Å; H102-L105 PolarHBondContact O-N 3.48Å; H102-R106 VanDerWaalsContact O-CB 3.24Å; H102-R106 WeakPolarHBondContact O-CB 3.48Å; H102-R106 VanDerWaalsContact O-CD 3.24Å; H102-R106 WeakPolarHBondContact O-CD 3.39Å; H102-R106 WeakPolarHBondContact O-CG 3.35Å; H102-R106 PolarHBondContact O-N 3.42Å; H102-L117 HydrophobicContact CB-CD1 3.92Å; H102-I173 WeakPolarHBondContact CE1-CD1 3.49Å; H102-Y236 AromaticContact NE2-CE1 3.4Å; H102-Y236 WeakPolarHBondContact NE2-CE1 3.35Å; H102-Y236 AromaticContact NE2-CZ 3.73Å; H102-Y236 PolarHBondContact NE2-OH 3.47Å; H102-Y236 VanDerWaalsContact NE2-OH 3.17Å
103	N	98.7	Very high	97.6	Very high	22 Å²	22	40.2 Å²	40.2	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-70.8	-35.3	-175	-71.3	-18.7	0	0	0	111.7	L99 R100 E101 S107 L117 L265	L99-N103 VanDerWaalsContact O-CB 3.31Å; L99-N103 WeakPolarHBondContact O-CB 3.48Å; L99-N103 PolarHBondContact O-N 2.72Å; L99-N103 PolarHBondContact O-ND2 3.2Å; R100-N103 PolarHBondContact O-N 2.92Å; E101-N103 VanDerWaalsContact C-N 3.34Å; E101-N103 PolarHBondContact O-N 2.88Å; N103-S107 WeakPolarHBondContact O-CB 3.41Å; N103-S107 PolarHBondContact O-N 3.07Å; N103-S107 PolarHBondContact O-OG 3.02Å; N103-L117 PolarHBondContact ND2-O 2.76Å; N103-L117 WeakPolarHBondContact OD1-CB 2.99Å; N103-L117 PolarHBondContact OD1-N 2.03Å; N103-L265 HydrophobicContact CB-CD1 3.68Å
104	Y	98.5	Very high	97.7	Very high	136 Å²	136	36.8 Å²	36.8	53%	0.533	17%	0.173	S	C	.	.	H	α-helix	trans	-61	-54.8	170.5	173.3	-113.1	0	0	0	111.8	R100 E101 R106 S107 I108	R100-Y104 VanDerWaalsContact O-CB 3.28Å; R100-Y104 WeakPolarHBondContact O-CB 3.26Å; R100-Y104 PolarHBondContact O-N 2.82Å; E101-Y104 PolarHBondContact O-N 3.42Å; Y104-R106 PolarHBondContact O-N 3.12Å; Y104-S107 PolarHBondContact O-N 3.03Å; Y104-S107 PolarHBondContact O-OG 3.16Å; Y104-I108 HydrophobicContact CE2-CG2 4.03Å; Y104-I108 PolarHBondContact O-N 2.78Å
105	L	98.5	Very high	97.8	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.052	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-31.8	-179	-64.8	171.6	0	0	0	112.5	E101 H102 I108 I173 R174 H177	E101-L105 HydrophobicContact CG-CD1 3.78Å; E101-L105 HydrophobicContact CG-CG 4.34Å; E101-L105 WeakPolarHBondContact O-CB 3.31Å; E101-L105 VanDerWaalsContact O-CG 3.25Å; E101-L105 WeakPolarHBondContact O-CG 3.33Å; E101-L105 PolarHBondContact O-N 3.09Å; H102-L105 PolarHBondContact O-N 3.48Å; L105-I108 HydrophobicContact CD2-CD1 4.39Å; L105-I108 VanDerWaalsContact O-CG1 3.27Å; L105-I108 WeakPolarHBondContact O-CG1 3.5Å; L105-I173 HydrophobicContact CD1-CG2 4.17Å; L105-R174 HydrophobicContact CD1-CG 4.49Å; L105-H177 HydrophobicContact CD1-CB 3.72Å
106	R	98.7	Very high	97.8	Very high	1 Å²	1	37 Å²	37	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-73.2	-33.9	174	-72.6	165.5	74.3	87	-3.4	113.1	H102 Y104 I108 E109 M114 Q115 V202 W204 T207 L265	H102-R106 VanDerWaalsContact O-CB 3.24Å; H102-R106 WeakPolarHBondContact O-CB 3.48Å; H102-R106 VanDerWaalsContact O-CD 3.24Å; H102-R106 WeakPolarHBondContact O-CD 3.39Å; H102-R106 WeakPolarHBondContact O-CG 3.35Å; H102-R106 PolarHBondContact O-N 3.42Å; Y104-R106 PolarHBondContact O-N 3.12Å; R106-I108 VanDerWaalsContact C-N 3.32Å; R106-I108 PolarHBondContact O-N 2.98Å; R106-E109 PolarHBondContact O-N 2.92Å; R106-M114 HydrophobicContact CB-CE 4.46Å; R106-M114 HydrophobicContact CB-CG 3.79Å; R106-M114 HydrophobicContact CB-SD 3.97Å; R106-M114 HydrophobicContact CG-CG 4.45Å; R106-M114 HydrophobicContact CG-SD 4.01Å; R106-M114 VanDerWaalsContact CZ-SD 3.53Å; R106-Q115 VanDerWaalsContact CZ-O 3.28Å; R106-Q115 PolarHBondContact NE-O 2.96Å; R106-Q115 PolarHBondContact NH2-O 2.98Å; R106-V202 WeakPolarHBondContact CD-O 3.13Å; R106-V202 WeakPolarHBondContact CG-O 3.28Å; R106-V202 PolarHBondContact NH1-O 3.37Å; R106-W204 PolarHBondContact NH1-O 3.14Å; R106-W204 PolarHBondContact NH2-O 3.1Å; R106-T207 PolarHBondContact NH2-O 2.79Å; R106-L265 HydrophobicContact CB-CD2 3.8Å
107	S	97.9	Very high	97.9	Very high	26 Å²	26	32.5 Å²	32.5	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-71.4	-24.9	-178.4	66.7	0	0	0	0	114.3	N103 Y104 N263	N103-S107 WeakPolarHBondContact O-CB 3.41Å; N103-S107 PolarHBondContact O-N 3.07Å; N103-S107 PolarHBondContact O-OG 3.02Å; Y104-S107 PolarHBondContact O-N 3.03Å; Y104-S107 PolarHBondContact O-OG 3.16Å; S107-N263 WeakPolarHBondContact CB-O 3.39Å
108	I	96.4	Very high	97.9	Very high	85 Å²	85	32.3 Å²	32.3	44%	0.436	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.8	179.9	63.5	171.7	0	0	0	113.6	Y104 L105 R106	Y104-I108 HydrophobicContact CE2-CG2 4.03Å; Y104-I108 PolarHBondContact O-N 2.78Å; L105-I108 HydrophobicContact CD2-CD1 4.39Å; L105-I108 VanDerWaalsContact O-CG1 3.27Å; L105-I108 WeakPolarHBondContact O-CG1 3.5Å; R106-I108 VanDerWaalsContact C-N 3.32Å; R106-I108 PolarHBondContact O-N 2.98Å
109	E	97.1	Very high	97.8	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.019	15%	0.152	C	C	.	.	S	Bend	trans	-79.1	147	172.6	-64.1	-54.3	160.1	0	0	112.1	R106 A111 M114 H177 K180 Y199 V203 Y248	R106-E109 PolarHBondContact O-N 2.92Å; E109-A111 HydrophobicContact CB-CB 4.14Å; E109-A111 PolarHBondContact O-N 3.4Å; E109-M114 HydrophobicContact CB-CE 3.99Å; E109-M114 HydrophobicContact CG-CE 4.08Å; E109-H177 IonicContact OE1-NE2 2.72Å; E109-K180 WeakPolarHBondContact OE1-CE 3.35Å; E109-K180 IonicContact OE1-NZ 2.72Å; E109-K180 PolarHBondContact OE1-NZ 3.43Å; E109-K180 IonicContact OE2-NZ 3.15Å; E109-K180 PolarHBondContact OE2-NZ 2.9Å; E109-Y199 PolarHBondContact OE1-OH 3.27Å; E109-Y199 PolarHBondContact OE2-OH 3.48Å; E109-V203 HydrophobicContact CG-CB 4.11Å; E109-V203 HydrophobicContact CG-CG1 3.8Å; E109-Y248 HydrophobicContact CB-CE1 4.12Å; E109-Y248 HydrophobicContact CG-CE1 4.02Å; E109-Y248 PolarHBondContact OE2-OH 3.28Å
110	P	96.3	Very high	97.7	Very high	36 Å²	36	32.3 Å²	32.3	23%	0.234	15%	0.148	C	C	.	.			trans	-75.2	65.2	173.3	32.8	-35.2	0	0	0	110.5	Y248 W250 G251	P110-Y248 HydrophobicContact CG-CE2 4.22Å; P110-W250 HydrophobicContact CB-CD2 4.29Å; P110-W250 HydrophobicContact CB-CE3 4.49Å; P110-W250 HydrophobicContact CB-CH2 4.35Å; P110-W250 HydrophobicContact CB-CZ2 4.12Å; P110-W250 HydrophobicContact CG-CD2 4.09Å; P110-W250 HydrophobicContact CG-CE3 3.8Å; P110-W250 HydrophobicContact CG-CH2 3.61Å; P110-W250 HydrophobicContact CG-CZ2 3.89Å; P110-W250 HydrophobicContact CG-CZ3 3.56Å; P110-W250 CarbonylContact O-C 3.58Å; P110-W250 VanDerWaalsContact O-CA 3.31Å; P110-W250 WeakPolarHBondContact O-CA 3.29Å; P110-G251 CarbonylContact C-O 3.6Å; P110-G251 WeakPolarHBondContact CA-O 3.16Å; P110-G251 PolarHBondContact O-N 3.34Å
111	A	97.1	Very high	97.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.8	-168.8	0	0	0	0	0	112.2	E109 Y113 M114 Y248 S249 G251 P253	E109-A111 HydrophobicContact CB-CB 4.14Å; E109-A111 PolarHBondContact O-N 3.4Å; A111-Y113 PolarHBondContact O-N 2.98Å; A111-M114 HydrophobicContact CB-CB 3.92Å; A111-M114 HydrophobicContact CB-CE 3.77Å; A111-Y248 HydrophobicContact CB-CD2 3.69Å; A111-Y248 HydrophobicContact CB-CE2 4.43Å; A111-Y248 HydrophobicContact CB-CG 3.78Å; A111-S249 CarbonylContact C-O 3.56Å; A111-S249 WeakPolarHBondContact CA-O 3.37Å; A111-G251 PolarHBondContact N-O 3.39Å; A111-P253 WeakPolarHBondContact O-CA 3.36Å
112	A	97.6	Very high	97.3	Very high	9 Å²	9	32.2 Å²	32.2	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	-32.6	174.9	0	0	0	0	0	112.9	S249 R252 C254 S255 T256	A112-S249 WeakPolarHBondContact CB-O 3.13Å; A112-S249 PolarHBondContact N-O 2.94Å; A112-R252 WeakPolarHBondContact CA-O 3.43Å; A112-C254 CarbonylContact O-C 3.3Å; A112-S255 WeakPolarHBondContact CA-OG 3.48Å; A112-S255 VanDerWaalsContact CB-OG 3.26Å; A112-S255 WeakPolarHBondContact CB-OG 3.25Å; A112-S255 PolarHBondContact O-N 3.23Å; A112-T256 HydrophobicContact CB-CG2 4.13Å; A112-T256 WeakPolarHBondContact O-CB 2.74Å; A112-T256 WeakPolarHBondContact O-CG2 3.41Å; A112-T256 PolarHBondContact O-N 3.37Å; A112-T256 PolarHBondContact O-OG1 3.5Å
113	Y	97.4	Very high	97.1	Very high	36 Å²	36	32.2 Å²	32.2	14%	0.141	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.3	170.9	178.7	-101.8	0	0	0	108.9	A111 Q115 A205 N206 T256 C266 K269	A111-Y113 PolarHBondContact O-N 2.98Å; Y113-Q115 HydrophobicContact CE1-CG 4.11Å; Y113-Q115 HydrophobicContact CE2-CG 4.29Å; Y113-Q115 VanDerWaalsContact OH-CG 3.28Å; Y113-Q115 WeakPolarHBondContact OH-CG 2.97Å; Y113-Q115 PolarHBondContact OH-NE2 2.84Å; Y113-Q115 VanDerWaalsContact OH-NE2 3.09Å; Y113-Q115 PolarHBondContact OH-OE1 3.12Å; Y113-A205 HydrophobicContact CD1-CB 3.84Å; Y113-A205 HydrophobicContact CE1-CB 4.31Å; Y113-A205 WeakPolarHBondContact CE1-O 3.42Å; Y113-A205 WeakPolarHBondContact O-CB 3.34Å; Y113-N206 WeakPolarHBondContact CE1-OD1 3.49Å; Y113-T256 WeakPolarHBondContact CA-OG1 3.45Å; Y113-T256 VanDerWaalsContact CB-OG1 3.27Å; Y113-T256 WeakPolarHBondContact CB-OG1 3.37Å; Y113-T256 WeakPolarHBondContact CD2-OG1 3.48Å; Y113-C266 HydrophobicContact CD2-CB 4.39Å; Y113-C266 HydrophobicContact CE2-CB 4.33Å; Y113-K269 VanDerWaalsContact OH-CE 3.27Å; Y113-K269 WeakPolarHBondContact OH-CE 3.45Å; Y113-K269 PolarHBondContact OH-NZ 2.94Å
114	M	98.2	Very high	97.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.153	C	C	.	.			trans	-151	120	173.3	-177.1	67.7	76.7	0	0	108.2	R106 E109 A111 V203 A205 Y248 L265 C266	R106-M114 HydrophobicContact CB-CE 4.46Å; R106-M114 HydrophobicContact CB-CG 3.79Å; R106-M114 HydrophobicContact CB-SD 3.97Å; R106-M114 HydrophobicContact CG-CG 4.45Å; R106-M114 HydrophobicContact CG-SD 4.01Å; R106-M114 VanDerWaalsContact CZ-SD 3.53Å; E109-M114 HydrophobicContact CB-CE 3.99Å; E109-M114 HydrophobicContact CG-CE 4.08Å; A111-M114 HydrophobicContact CB-CB 3.92Å; A111-M114 HydrophobicContact CB-CE 3.77Å; M114-V203 HydrophobicContact CE-CB 4.18Å; M114-V203 WeakPolarHBondContact CE-O 3.36Å; M114-A205 HydrophobicContact SD-CB 3.99Å; M114-Y248 HydrophobicContact CE-CD1 3.85Å; M114-Y248 HydrophobicContact CE-CG 4.14Å; M114-L265 HydrophobicContact CB-CD2 4.25Å; M114-L265 HydrophobicContact CG-CD2 3.62Å; M114-C266 WeakPolarHBondContact O-CB 3.28Å; M114-C266 PolarHBondContact O-N 3.06Å
115	Q	98	Very high	96.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-80.8	143.9	178.2	-74.9	172	103.5	0	0	112.2	R106 Y113 A205 N206 C208 C266 K269	R106-Q115 VanDerWaalsContact CZ-O 3.28Å; R106-Q115 PolarHBondContact NE-O 2.96Å; R106-Q115 PolarHBondContact NH2-O 2.98Å; Y113-Q115 HydrophobicContact CE1-CG 4.11Å; Y113-Q115 HydrophobicContact CE2-CG 4.29Å; Y113-Q115 VanDerWaalsContact OH-CG 3.28Å; Y113-Q115 WeakPolarHBondContact OH-CG 2.97Å; Y113-Q115 PolarHBondContact OH-NE2 2.84Å; Y113-Q115 VanDerWaalsContact OH-NE2 3.09Å; Y113-Q115 PolarHBondContact OH-OE1 3.12Å; Q115-A205 PolarHBondContact N-O 2.98Å; Q115-A205 PolarHBondContact NE2-O 3.29Å; Q115-N206 VanDerWaalsContact NE2-C 3.34Å; Q115-N206 PolarHBondContact NE2-O 3.2Å; Q115-N206 VanDerWaalsContact NE2-O 3.07Å; Q115-C208 HydrophobicContact CB-CB 4.27Å; Q115-C208 VanDerWaalsContact OE1-CB 3.31Å; Q115-C266 WeakPolarHBondContact CA-O 3.47Å; Q115-K269 VanDerWaalsContact OE1-CG 3.23Å
116	E	97.8	Very high	96.8	Very high	63 Å²	63	28.4 Å²	28.4	29%	0.294	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-56.5	137	157.3	-171.7	178	-150.3	0	0	110.1	L265 C266 S268	E116-L265 HydrophobicContact CB-CB 4.21Å; E116-L265 HydrophobicContact CB-CD1 4.23Å; E116-L265 HydrophobicContact CG-CD1 4.35Å; E116-C266 PolarHBondContact N-O 3.39Å; E116-S268 WeakPolarHBondContact O-CB 3.27Å; E116-S268 PolarHBondContact O-OG 3.02Å
117	L	98.3	Very high	96.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-90.7	136.1	168.8	-58.7	-167.7	0	0	0	110.1	H102 N103 T207 V210	H102-L117 HydrophobicContact CB-CD1 3.92Å; N103-L117 PolarHBondContact ND2-O 2.76Å; N103-L117 WeakPolarHBondContact OD1-CB 2.99Å; N103-L117 PolarHBondContact OD1-N 2.03Å; L117-T207 HydrophobicContact CD2-CG2 3.82Å; L117-T207 VanDerWaalsContact CD2-O 3.29Å; L117-T207 WeakPolarHBondContact CD2-O 3.34Å; L117-V210 HydrophobicContact CB-CG1 4.26Å; L117-V210 HydrophobicContact CD1-CB 4.21Å; L117-V210 HydrophobicContact CD1-CG1 4.17Å
118	I	97	Very high	96.7	Very high	17 Å²	17	29.6 Å²	29.6	9%	0.087	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	158.7	169.8	70.1	-171.7	0	0	0	110	C208 A209 V210 C270 L271 Q274	I118-C208 PolarHBondContact N-O 3.02Å; I118-C208 VanDerWaalsContact N-O 3.13Å; I118-A209 HydrophobicContact CG1-CB 4.31Å; I118-A209 CarbonylContact O-C 3.5Å; I118-A209 VanDerWaalsContact O-CA 3.24Å; I118-A209 WeakPolarHBondContact O-CA 3.41Å; I118-V210 PolarHBondContact O-N 3.39Å; I118-C270 VanDerWaalsContact CD1-C 3.44Å; I118-C270 HydrophobicContact CD1-CB 3.6Å; I118-C270 HydrophobicContact CG1-CB 4.07Å; I118-L271 HydrophobicContact CD1-CD2 4.02Å; I118-L271 HydrophobicContact CD1-CG 4.08Å; I118-L271 HydrophobicContact CG2-CD2 4.11Å; I118-L271 HydrophobicContact CG2-CG 4.37Å; I118-Q274 HydrophobicContact CD1-CG 3.81Å
119	W	97.1	Very high	96.7	Very high	19 Å²	19	28.8 Å²	28.8	7%	0.072	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	142.9	175.8	-170.2	-104.3	0	0	0	111.7	F90 I95 V98 L99 E121 A124 V210 C212 Q274	F90-W119 AromaticContact CD2-CH2 3.97Å; F90-W119 HydrophobicContact CD2-CH2 3.97Å; I95-W119 HydrophobicContact CB-CD2 4.46Å; I95-W119 HydrophobicContact CD1-CZ2 4.02Å; I95-W119 HydrophobicContact CG1-CD2 4.23Å; I95-W119 HydrophobicContact CG1-CE3 4.5Å; I95-W119 HydrophobicContact CG1-CH2 3.97Å; I95-W119 HydrophobicContact CG1-CZ2 3.72Å; I95-W119 HydrophobicContact CG1-CZ3 4.38Å; I95-W119 HydrophobicContact CG2-CB 4.03Å; I95-W119 HydrophobicContact CG2-CD2 3.61Å; I95-W119 HydrophobicContact CG2-CE3 3.83Å; I95-W119 HydrophobicContact CG2-CG 3.72Å; I95-W119 HydrophobicContact CG2-CZ3 4.4Å; V98-W119 HydrophobicContact CB-CZ3 4.43Å; V98-W119 HydrophobicContact CG1-CZ3 4.17Å; L99-W119 HydrophobicContact CD1-CB 4.08Å; L99-W119 HydrophobicContact CD2-CB 4.31Å; L99-W119 HydrophobicContact CG-CB 4.49Å; W119-E121 PolarHBondContact NE1-OE1 2.79Å; W119-E121 PolarHBondContact NE1-OE2 2.83Å; W119-A124 HydrophobicContact CH2-CB 4.43Å; W119-A124 HydrophobicContact CZ2-CB 3.57Å; W119-V210 CarbonylContact C-O 3.53Å; W119-V210 WeakPolarHBondContact CA-O 3.4Å; W119-C212 HydrophobicContact CH2-CB 3.9Å; W119-C212 WeakPolarHBondContact CH2-O 3.44Å; W119-C212 HydrophobicContact CZ3-CB 4.16Å; W119-Q274 PolarHBondContact O-NE2 3.43Å
120	D	95.9	Very high	96.6	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.027	15%	0.151	C	C	.	.			trans	-131.9	108.3	176	-173.8	-41.2	0	0	0	109.3	H122 L123 A124 Q149 Y150 A209 V210	D120-H122 PolarHBondContact O-N 2.81Å; D120-H122 WeakPolarHBondContact OD1-CA 3.44Å; D120-H122 VanDerWaalsContact OD1-CB 3.27Å; D120-H122 WeakPolarHBondContact OD1-CB 3.43Å; D120-H122 PolarHBondContact OD1-N 2.71Å; D120-L123 HydrophobicContact CB-CB 4.12Å; D120-L123 HydrophobicContact CB-CD1 3.94Å; D120-L123 HydrophobicContact CB-CG 3.94Å; D120-L123 WeakPolarHBondContact O-CB 3.41Å; D120-L123 PolarHBondContact O-N 2.77Å; D120-L123 PolarHBondContact OD1-N 2.99Å; D120-A124 PolarHBondContact O-N 2.93Å; D120-Q149 PolarHBondContact OD2-NE2 3.47Å; D120-Y150 VanDerWaalsContact OD2-CE2 3.27Å; D120-Y150 WeakPolarHBondContact OD2-CE2 3.22Å; D120-Y150 PolarHBondContact OD2-OH 3.06Å; D120-A209 HydrophobicContact CB-CB 3.95Å; D120-V210 PolarHBondContact N-O 3.17Å
121	E	93.7	Very high	96.6	Very high	124 Å²	124	27.8 Å²	27.8	58%	0.579	14%	0.14	S	C	*	.	H	α-helix	trans	-61.3	-27.6	-177.2	-53.3	-61.1	171.8	0	0	112.3	W119 A124 S125	W119-E121 PolarHBondContact NE1-OE1 2.79Å; W119-E121 PolarHBondContact NE1-OE2 2.83Å; E121-A124 PolarHBondContact O-N 3.45Å; E121-S125 PolarHBondContact O-N 3.44Å; E121-S125 PolarHBondContact O-OG 3.3Å
122	H	93.4	Very high	96.5	Very high	78 Å²	78	30 Å²	30	36%	0.361	16%	0.155	S	C	.	.	H	α-helix	trans	-70.8	-43.6	176.2	-165.5	-166.5	0	0	0	109.8	D120 A124 S125 I126 L147	D120-H122 PolarHBondContact O-N 2.81Å; D120-H122 WeakPolarHBondContact OD1-CA 3.44Å; D120-H122 VanDerWaalsContact OD1-CB 3.27Å; D120-H122 WeakPolarHBondContact OD1-CB 3.43Å; D120-H122 PolarHBondContact OD1-N 2.71Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 2.93Å; H122-S125 PolarHBondContact O-N 2.88Å; H122-S125 PolarHBondContact O-OG 3.1Å; H122-I126 WeakPolarHBondContact O-CB 3.4Å; H122-I126 VanDerWaalsContact O-CD1 3.27Å; H122-I126 WeakPolarHBondContact O-CD1 3.13Å; H122-I126 WeakPolarHBondContact O-CG1 3.41Å; H122-I126 PolarHBondContact O-N 3.27Å; H122-L147 PolarHBondContact CE1-O 2.88Å; H122-L147 VanDerWaalsContact CE1-O 3.25Å; H122-L147 PolarHBondContact NE2-O 3.35Å
123	L	96.5	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-38	170.6	-65	-178	0	0	0	112.3	D120 I126 A127 Y150 I153 A209 N235	D120-L123 HydrophobicContact CB-CB 4.12Å; D120-L123 HydrophobicContact CB-CD1 3.94Å; D120-L123 HydrophobicContact CB-CG 3.94Å; D120-L123 WeakPolarHBondContact O-CB 3.41Å; D120-L123 PolarHBondContact O-N 2.77Å; D120-L123 PolarHBondContact OD1-N 2.99Å; L123-I126 PolarHBondContact O-N 3.33Å; L123-A127 WeakPolarHBondContact O-CB 3.31Å; L123-A127 PolarHBondContact O-N 3.15Å; L123-Y150 HydrophobicContact CD1-CD2 4.3Å; L123-Y150 HydrophobicContact CD1-CE2 3.83Å; L123-Y150 HydrophobicContact CD2-CD2 3.94Å; L123-Y150 HydrophobicContact CD2-CE2 4.07Å; L123-Y150 HydrophobicContact CG-CD2 4.36Å; L123-Y150 HydrophobicContact CG-CE2 3.98Å; L123-I153 HydrophobicContact CD2-CB 4.32Å; L123-I153 HydrophobicContact CD2-CG2 3.65Å; L123-A209 HydrophobicContact CD1-CB 4.11Å; L123-N235 HydrophobicContact CB-CB 4.3Å; L123-N235 HydrophobicContact CD2-CB 4.25Å
124	A	97.3	Very high	96.3	Very high	11 Å²	11	34.4 Å²	34.4	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-43.5	176.6	0	0	0	0	0	112.2	W119 D120 E121 H122 I126 A127 K128	W119-A124 HydrophobicContact CH2-CB 4.43Å; W119-A124 HydrophobicContact CZ2-CB 3.57Å; D120-A124 PolarHBondContact O-N 2.93Å; E121-A124 PolarHBondContact O-N 3.45Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 2.93Å; A124-I126 VanDerWaalsContact C-N 3.34Å; A124-I126 PolarHBondContact O-N 3.48Å; A124-A127 WeakPolarHBondContact O-CB 3.23Å; A124-A127 PolarHBondContact O-N 3.5Å; A124-K128 PolarHBondContact O-N 3.1Å
125	S	95.6	Very high	96.1	Very high	62 Å²	62	34.8 Å²	34.8	43%	0.434	17%	0.173	S	C	.	.	H	α-helix	trans	-65	-36.5	175.2	69.7	0	0	0	0	112.7	E121 H122 K128 D129	E121-S125 PolarHBondContact O-N 3.44Å; E121-S125 PolarHBondContact O-OG 3.3Å; H122-S125 PolarHBondContact O-N 2.88Å; H122-S125 PolarHBondContact O-OG 3.1Å; S125-K128 WeakPolarHBondContact O-CB 3.28Å; S125-K128 PolarHBondContact O-N 3.15Å; S125-D129 PolarHBondContact O-N 3.03Å
126	I	95.6	Very high	95.9	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.072	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-36	173.6	-66.5	160.1	0	0	0	111.4	H122 L123 A124 W130 R139 L147 I153	H122-I126 WeakPolarHBondContact O-CB 3.4Å; H122-I126 VanDerWaalsContact O-CD1 3.27Å; H122-I126 WeakPolarHBondContact O-CD1 3.13Å; H122-I126 WeakPolarHBondContact O-CG1 3.41Å; H122-I126 PolarHBondContact O-N 3.27Å; L123-I126 PolarHBondContact O-N 3.33Å; A124-I126 VanDerWaalsContact C-N 3.34Å; A124-I126 PolarHBondContact O-N 3.48Å; I126-W130 PolarHBondContact O-N 2.99Å; I126-R139 VanDerWaalsContact CG2-NH1 3.26Å; I126-R139 PolarHBondContact O-NH1 3.5Å; I126-R139 PolarHBondContact O-NH2 3.36Å; I126-L147 HydrophobicContact CD1-CB 3.95Å; I126-L147 VanDerWaalsContact CD1-O 3.29Å; I126-L147 WeakPolarHBondContact CD1-O 3.44Å; I126-L147 HydrophobicContact CG1-CB 4.44Å; I126-L147 HydrophobicContact CG2-CB 4.41Å; I126-L147 HydrophobicContact CG2-CD1 3.68Å; I126-I153 HydrophobicContact CG2-CD1 3.59Å
127	A	97.6	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-41.1	172	0	0	0	0	0	111.5	L123 A124 W130 A131 A213 V233 N235	L123-A127 WeakPolarHBondContact O-CB 3.31Å; L123-A127 PolarHBondContact O-N 3.15Å; A124-A127 WeakPolarHBondContact O-CB 3.23Å; A124-A127 PolarHBondContact O-N 3.5Å; A127-W130 PolarHBondContact O-N 3.22Å; A127-W130 VanDerWaalsContact O-N 3.16Å; A127-A131 WeakPolarHBondContact O-CB 3.36Å; A127-A131 PolarHBondContact O-N 3.1Å; A127-A213 HydrophobicContact CB-CB 4.15Å; A127-V233 HydrophobicContact CB-CB 4.05Å; A127-V233 HydrophobicContact CB-CG1 3.98Å; A127-V233 WeakPolarHBondContact CB-O 3.25Å; A127-N235 VanDerWaalsContact CA-OD1 3.26Å; A127-N235 WeakPolarHBondContact CA-OD1 3.11Å; A127-N235 PolarHBondContact N-OD1 3.03Å
128	K	97	Very high	95.4	Very high	52 Å²	52	35.9 Å²	35.9	23%	0.226	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-42.7	179.3	-166.2	-177.5	-172.2	177.3	0	112.8	L87 D89 A124 S125 W130 A131 S132 A213	L87-K128 HydrophobicContact CD1-CG 4.31Å; D89-K128 WeakPolarHBondContact OD1-CD 3.14Å; D89-K128 VanDerWaalsContact OD1-CE 3.28Å; D89-K128 WeakPolarHBondContact OD1-CE 3.49Å; D89-K128 IonicContact OD1-NZ 2.69Å; D89-K128 PolarHBondContact OD1-NZ 3.45Å; D89-K128 IonicContact OD2-NZ 2.64Å; D89-K128 PolarHBondContact OD2-NZ 3.02Å; A124-K128 PolarHBondContact O-N 3.1Å; S125-K128 WeakPolarHBondContact O-CB 3.28Å; S125-K128 PolarHBondContact O-N 3.15Å; K128-W130 VanDerWaalsContact C-N 3.26Å; K128-W130 PolarHBondContact O-N 3.3Å; K128-A131 PolarHBondContact O-N 3.31Å; K128-S132 PolarHBondContact O-N 3.39Å; K128-A213 HydrophobicContact CB-CB 3.65Å; K128-A213 HydrophobicContact CG-CB 4.21Å
129	D	95.5	Very high	95.2	Very high	68 Å²	68	35.4 Å²	35.4	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-54.4	-42.6	171.6	162.7	79.6	0	0	0	111.6	S125 S132 R133 R139	S125-D129 PolarHBondContact O-N 3.03Å; D129-S132 PolarHBondContact O-OG 2.93Å; D129-R133 WeakPolarHBondContact O-CG 3.42Å; D129-R133 PolarHBondContact O-NE 2.76Å; D129-R133 IonicContact OD1-CZ 3.91Å; D129-R133 IonicContact OD1-NE 2.84Å; D129-R133 IonicContact OD1-NH2 3.66Å; D129-R133 PolarHBondContact OD1-NH2 3.4Å; D129-R133 IonicContact OD2-CZ 3.14Å; D129-R133 IonicContact OD2-NE 2.73Å; D129-R133 PolarHBondContact OD2-NE 2.98Å; D129-R133 IonicContact OD2-NH2 3.69Å; D129-R133 PolarHBondContact OD2-NH2 2.82Å; D129-R139 IonicContact OD2-NH1 3.95Å
130	W	95.5	Very high	94.8	Very high	20 Å²	20	37 Å²	37	8%	0.076	19%	0.191	C	C	.	.	H	α-helix	trans	-77	-39.2	-179.5	-159.5	-109.3	0	0	0	113	I126 A127 K128 S132 R133 E137 R139 V233	I126-W130 PolarHBondContact O-N 2.99Å; A127-W130 PolarHBondContact O-N 3.22Å; A127-W130 VanDerWaalsContact O-N 3.16Å; K128-W130 VanDerWaalsContact C-N 3.26Å; K128-W130 PolarHBondContact O-N 3.3Å; W130-S132 PolarHBondContact O-N 2.89Å; W130-R133 WeakPolarHBondContact O-CB 3.3Å; W130-R133 PolarHBondContact O-N 3.21Å; W130-E137 WeakPolarHBondContact CZ2-O 3.48Å; W130-E137 PolarHBondContact NE1-O 2.97Å; W130-R139 VanDerWaalsContact CB-CZ 3.48Å; W130-R139 VanDerWaalsContact CB-NH2 3.35Å; W130-R139 HydrophobicContact CD2-CG 3.6Å; W130-R139 HydrophobicContact CE3-CG 3.38Å; W130-R139 HydrophobicContact CG-CG 4.45Å; W130-R139 HydrophobicContact CH2-CB 4.49Å; W130-R139 HydrophobicContact CH2-CG 3.51Å; W130-R139 HydrophobicContact CZ2-CB 4.46Å; W130-R139 HydrophobicContact CZ2-CG 3.7Å; W130-R139 HydrophobicContact CZ3-CG 3.34Å; W130-V233 HydrophobicContact CB-CG1 4.4Å; W130-V233 HydrophobicContact CB-CG2 4.37Å
131	A	96.6	Very high	94.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.8	-40.7	173.5	0	0	0	0	0	111.3	A127 K128 R133 C134 A215 M231 V233	A127-A131 WeakPolarHBondContact O-CB 3.36Å; A127-A131 PolarHBondContact O-N 3.1Å; K128-A131 PolarHBondContact O-N 3.31Å; A131-R133 PolarHBondContact O-N 3.36Å; A131-R133 VanDerWaalsContact O-N 3.12Å; A131-C134 PolarHBondContact O-N 3.42Å; A131-A215 HydrophobicContact CB-CB 3.86Å; A131-A215 WeakPolarHBondContact O-CB 3.44Å; A131-M231 WeakPolarHBondContact O-CE 3.47Å; A131-V233 HydrophobicContact CB-CG2 4.08Å
132	S	95	Very high	93.6	Very high	46 Å²	46	40.2 Å²	40.2	32%	0.322	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.4	178.3	81.7	0	0	0	0	115	K128 D129 W130 C134	K128-S132 PolarHBondContact O-N 3.39Å; D129-S132 PolarHBondContact O-OG 2.93Å; W130-S132 PolarHBondContact O-N 2.89Å; S132-C134 VanDerWaalsContact C-N 3.32Å
133	R	94.5	Very high	93.3	Very high	131 Å²	131	40.6 Å²	40.6	49%	0.494	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-8	-175.7	-59.2	166.1	-168.7	-120.7	-1.6	113.2	D129 W130 A131 S135	D129-R133 WeakPolarHBondContact O-CG 3.42Å; D129-R133 PolarHBondContact O-NE 2.76Å; D129-R133 IonicContact OD1-CZ 3.91Å; D129-R133 IonicContact OD1-NE 2.84Å; D129-R133 IonicContact OD1-NH2 3.66Å; D129-R133 PolarHBondContact OD1-NH2 3.4Å; D129-R133 IonicContact OD2-CZ 3.14Å; D129-R133 IonicContact OD2-NE 2.73Å; D129-R133 PolarHBondContact OD2-NE 2.98Å; D129-R133 IonicContact OD2-NH2 3.69Å; D129-R133 PolarHBondContact OD2-NH2 2.82Å; W130-R133 WeakPolarHBondContact O-CB 3.3Å; W130-R133 PolarHBondContact O-N 3.21Å; A131-R133 PolarHBondContact O-N 3.36Å; A131-R133 VanDerWaalsContact O-N 3.12Å; R133-S135 VanDerWaalsContact C-N 3.27Å; R133-S135 PolarHBondContact O-N 3.46Å; R133-S135 VanDerWaalsContact O-N 3.13Å
134	C	95.2	Very high	92.9	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.047	21%	0.209	C	C	.	.			trans	46.8	45.2	175.2	-65.4	0	0	0	0	114.3	T85 A131 S132 C217 Y219 I220 R221	T85-C134 WeakPolarHBondContact CG2-SG 3.27Å; T85-C134 PolarHBondContact OG1-SG 3.28Å; T85-C134 VanDerWaalsContact OG1-SG 3.39Å; A131-C134 PolarHBondContact O-N 3.42Å; S132-C134 VanDerWaalsContact C-N 3.32Å; C134-C217 WeakPolarHBondContact CA-SG 3.39Å; C134-C217 HydrophobicContact CB-CB 3.61Å; C134-C217 WeakPolarHBondContact CB-SG 3.44Å; C134-C217 VanDerWaalsContact SG-CA 3.5Å; C134-C217 WeakPolarHBondContact SG-CB 3.16Å; C134-C217 CovalentContact SG-SG 2.03Å; C134-C217 PolarHBondContact SG-SG 3.05Å; C134-Y219 WeakPolarHBondContact CB-O 3.4Å; C134-I220 CarbonylContact O-C 3.57Å; C134-I220 WeakPolarHBondContact O-CA 3.43Å; C134-R221 PolarHBondContact O-N 3.39Å
135	S	94.5	Very high	92.4	Very high	10 Å²	10	42.6 Å²	42.6	7%	0.07	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-122.6	120.3	178.7	-162.8	0	0	0	0	109.3	R133 E137 R221	R133-S135 VanDerWaalsContact C-N 3.27Å; R133-S135 PolarHBondContact O-N 3.46Å; R133-S135 VanDerWaalsContact O-N 3.13Å; S135-E137 PolarHBondContact O-N 2.78Å; S135-E137 PolarHBondContact OG-OE2 2.97Å; S135-R221 PolarHBondContact OG-NE 2.95Å
136	A	93.4	Very high	91.7	Very high	13 Å²	13	47.3 Å²	47.3	11%	0.107	22%	0.222	C	C	.	.	S	Bend	trans	-75.8	51.9	175.4	0	0	0	0	0	111.2	W159 I220 R221	A136-W159 HydrophobicContact CB-CD2 3.87Å; A136-W159 HydrophobicContact CB-CE3 3.89Å; A136-W159 HydrophobicContact CB-CH2 4.07Å; A136-W159 HydrophobicContact CB-CZ2 3.99Å; A136-W159 HydrophobicContact CB-CZ3 4.02Å; A136-I220 HydrophobicContact CB-CG2 4.06Å; A136-R221 PolarHBondContact N-O 2.04Å
137	E	93.2	Very high	91	Very high	46 Å²	46	49.8 Å²	49.8	22%	0.215	24%	0.235	C	C	.	.	S	Bend	trans	-135.7	139.9	179.4	-66.5	-175	79.4	0	0	108.7	W130 S135 I157 R221 R222	W130-E137 WeakPolarHBondContact CZ2-O 3.48Å; W130-E137 PolarHBondContact NE1-O 2.97Å; S135-E137 PolarHBondContact O-N 2.78Å; S135-E137 PolarHBondContact OG-OE2 2.97Å; E137-I157 VanDerWaalsContact O-CD1 3.28Å; E137-I157 WeakPolarHBondContact O-CD1 3.49Å; E137-R221 IonicContact OE2-CZ 3.37Å; E137-R221 IonicContact OE2-NE 2.77Å; E137-R221 IonicContact OE2-NH2 3.76Å; E137-R221 PolarHBondContact OE2-NH2 3.44Å; E137-R222 VanDerWaalsContact CD-NH1 3.28Å; E137-R222 HydrophobicContact CG-CB 4.35Å; E137-R222 HydrophobicContact CG-CG 4.35Å; E137-R222 IonicContact OE1-CZ 2.62Å; E137-R222 IonicContact OE1-NE 3.44Å; E137-R222 IonicContact OE1-NH1 3.6Å; E137-R222 PolarHBondContact OE1-NH1 2.96Å; E137-R222 IonicContact OE1-NH2 3.76Å; E137-R222 WeakPolarHBondContact OE2-CD 3.47Å; E137-R222 IonicContact OE2-CZ 3.52Å; E137-R222 VanDerWaalsContact OE2-CZ 3.24Å; E137-R222 IonicContact OE2-NE 2.71Å; E137-R222 PolarHBondContact OE2-NE 3.09Å; E137-R222 IonicContact OE2-NH1 2.73Å; E137-R222 IonicContact OE2-NH2 2.64Å
138	H	93.4	Very high	90.4	Very high	30 Å²	30	50.5 Å²	50.5	14%	0.139	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-71.3	152.9	172.7	-71.2	-91.5	0	0	0	112	E6 S140 E155	E6-H138 PolarHBondContact O-CD2 2.87Å; E6-H138 VanDerWaalsContact O-CD2 3.23Å; H138-S140 PolarHBondContact O-N 3.28Å; H138-E155 VanDerWaalsContact CA-OE1 3.25Å; H138-E155 WeakPolarHBondContact CA-OE1 3.07Å; H138-E155 WeakPolarHBondContact CB-OE1 3.04Å; H138-E155 PolarHBondContact CE1-O 2.91Å; H138-E155 IonicContact CG-OE1 3.77Å; H138-E155 PolarHBondContact ND1-O 3.48Å; H138-E155 IonicContact ND1-OE1 3.06Å; H138-E155 PolarHBondContact ND1-OE1 3.13Å
139	R	92.4	Very high	89.9	Confident	7 Å²	7	51.7 Å²	51.7	3%	0.026	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-58.7	134.5	159.3	-85.4	173.5	-77.5	-144.7	-5	108.9	I126 D129 W130 Q143 R144 E155 N235	I126-R139 VanDerWaalsContact CG2-NH1 3.26Å; I126-R139 PolarHBondContact O-NH1 3.5Å; I126-R139 PolarHBondContact O-NH2 3.36Å; D129-R139 IonicContact OD2-NH1 3.95Å; W130-R139 VanDerWaalsContact CB-CZ 3.48Å; W130-R139 VanDerWaalsContact CB-NH2 3.35Å; W130-R139 HydrophobicContact CD2-CG 3.6Å; W130-R139 HydrophobicContact CE3-CG 3.38Å; W130-R139 HydrophobicContact CG-CG 4.45Å; W130-R139 HydrophobicContact CH2-CB 4.49Å; W130-R139 HydrophobicContact CH2-CG 3.51Å; W130-R139 HydrophobicContact CZ2-CB 4.46Å; W130-R139 HydrophobicContact CZ2-CG 3.7Å; W130-R139 HydrophobicContact CZ3-CG 3.34Å; R139-Q143 HydrophobicContact CB-CB 3.93Å; R139-Q143 HydrophobicContact CG-CB 3.99Å; R139-R144 HydrophobicContact CB-CG 3.61Å; R139-R144 PolarHBondContact O-NE 3.35Å; R139-R144 PolarHBondContact O-NH2 2.98Å; R139-R144 VanDerWaalsContact O-NH2 3.11Å; R139-E155 IonicContact CZ-OE2 2.76Å; R139-E155 PolarHBondContact N-OE1 2.93Å; R139-E155 IonicContact NE-OE2 3.68Å; R139-E155 PolarHBondContact NE-OE2 2.86Å; R139-E155 IonicContact NH2-OE2 3.96Å; R139-E155 PolarHBondContact NH2-OE2 3.16Å; R139-N235 PolarHBondContact NH2-ND2 3.21Å; R139-N235 PolarHBondContact NH2-OD1 2.84Å
140	S	89.7	Confident	89.6	Confident	52 Å²	52	49 Å²	49	36%	0.364	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-58.1	152.9	167.3	65	0	0	0	0	110.3	H138 W142 Q143 R144	H138-S140 PolarHBondContact O-N 3.28Å; S140-W142 PolarHBondContact O-N 3.31Å; S140-Q143 WeakPolarHBondContact O-CA 3.47Å; S140-Q143 WeakPolarHBondContact O-CB 3.49Å; S140-Q143 PolarHBondContact O-N 2.8Å; S140-Q143 WeakPolarHBondContact OG-CG 3.33Å; S140-Q143 PolarHBondContact OG-N 3.47Å; S140-Q143 PolarHBondContact OG-OE1 3.35Å; S140-R144 PolarHBondContact O-N 3.32Å
141	L	83.2	Confident	88.9	Confident	100 Å²	100	50 Å²	50	52%	0.524	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.2	179.6	-64.7	174.1	0	0	0	112.7	R144 Q145	L141-R144 PolarHBondContact O-N 2.68Å; L141-Q145 WeakPolarHBondContact O-CG 3.43Å; L141-Q145 PolarHBondContact O-N 3.45Å
142	W	80.4	Confident	88.6	Confident	98 Å²	98	51.8 Å²	51.8	37%	0.371	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-36.2	173.5	-59.9	115.3	0	0	0	113.4	S140 R144 L384 L449	S140-W142 PolarHBondContact O-N 3.31Å; W142-R144 VanDerWaalsContact C-N 3.32Å; W142-L384 HydrophobicContact CH2-CD2 4.46Å; W142-L384 HydrophobicContact CZ2-CD2 3.57Å; W142-L449 HydrophobicContact CH2-CD1 4.17Å
143	Q	86.9	Confident	88.6	Confident	85 Å²	85	49.6 Å²	49.6	40%	0.397	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.8	172.5	-72.1	161.4	-54	0	0	112.2	R139 S140 L147	R139-Q143 HydrophobicContact CB-CB 3.93Å; R139-Q143 HydrophobicContact CG-CB 3.99Å; S140-Q143 WeakPolarHBondContact O-CA 3.47Å; S140-Q143 WeakPolarHBondContact O-CB 3.49Å; S140-Q143 PolarHBondContact O-N 2.8Å; S140-Q143 WeakPolarHBondContact OG-CG 3.33Å; S140-Q143 PolarHBondContact OG-N 3.47Å; S140-Q143 PolarHBondContact OG-OE1 3.35Å; Q143-L147 WeakPolarHBondContact O-CD1 3.44Å; Q143-L147 VanDerWaalsContact O-CG 3.28Å; Q143-L147 WeakPolarHBondContact O-CG 3.45Å
144	R	88.4	Confident	88.8	Confident	13 Å²	13	43.5 Å²	43.5	5%	0.049	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.2	175.5	-64.3	-169.7	-123.7	165.9	-1.8	114.3	E6 R139 S140 L141 W142 V152 I153	E6-R144 IonicContact OE2-CZ 2.69Å; E6-R144 IonicContact OE2-NH1 3.86Å; E6-R144 IonicContact OE2-NH2 3.16Å; E6-R144 PolarHBondContact OE2-NH2 3Å; R139-R144 HydrophobicContact CB-CG 3.61Å; R139-R144 PolarHBondContact O-NE 3.35Å; R139-R144 PolarHBondContact O-NH2 2.98Å; R139-R144 VanDerWaalsContact O-NH2 3.11Å; S140-R144 PolarHBondContact O-N 3.32Å; L141-R144 PolarHBondContact O-N 2.68Å; W142-R144 VanDerWaalsContact C-N 3.32Å; R144-V152 HydrophobicContact CB-CG1 4.35Å; R144-I153 HydrophobicContact CB-CG1 3.87Å; R144-I153 WeakPolarHBondContact CD-O 3.49Å; R144-I153 HydrophobicContact CG-CG1 4.15Å; R144-I153 PolarHBondContact O-N 3.38Å; R144-I153 VanDerWaalsContact O-N 3.1Å
145	Q	86.2	Confident	88.9	Confident	40 Å²	40	43.2 Å²	43.2	19%	0.187	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-79.8	137.6	177	-81.2	170.3	28	0	0	111.9	L141 L147 H151 V152	L141-Q145 WeakPolarHBondContact O-CG 3.43Å; L141-Q145 PolarHBondContact O-N 3.45Å; Q145-L147 PolarHBondContact O-N 2.97Å; Q145-H151 WeakPolarHBondContact CA-O 3.31Å; Q145-V152 HydrophobicContact CG-CG2 3.64Å
146	R	80.8	Confident	89.1	Confident	161 Å²	161	42.8 Å²	42.8	61%	0.608	21%	0.205	S	C	*	.	S	Bend	trans	55.4	20.2	170.8	-51.9	-179	-176.9	-171.4	-0.1	116.3	S148 H151	R146-S148 PolarHBondContact O-N 3.48Å; R146-H151 PolarHBondContact N-O 3.13Å
147	L	81.9	Confident	89.3	Confident	66 Å²	66	42.1 Å²	42.1	35%	0.346	20%	0.2	S	C	.	.	S	Bend	trans	-71.1	-16.3	172.3	-63.5	-171.2	0	0	0	112.8	H122 I126 Q143 Q145 I153	H122-L147 PolarHBondContact CE1-O 2.88Å; H122-L147 VanDerWaalsContact CE1-O 3.25Å; H122-L147 PolarHBondContact NE2-O 3.35Å; I126-L147 HydrophobicContact CD1-CB 3.95Å; I126-L147 VanDerWaalsContact CD1-O 3.29Å; I126-L147 WeakPolarHBondContact CD1-O 3.44Å; I126-L147 HydrophobicContact CG1-CB 4.44Å; I126-L147 HydrophobicContact CG2-CB 4.41Å; I126-L147 HydrophobicContact CG2-CD1 3.68Å; Q143-L147 WeakPolarHBondContact O-CD1 3.44Å; Q143-L147 VanDerWaalsContact O-CG 3.28Å; Q143-L147 WeakPolarHBondContact O-CG 3.45Å; Q145-L147 PolarHBondContact O-N 2.97Å; L147-I153 HydrophobicContact CB-CD1 4.41Å; L147-I153 HydrophobicContact CD1-CD1 3.93Å
148	S	85.5	Confident	89.4	Confident	16 Å²	16	40 Å²	40	11%	0.112	19%	0.189	C	C	.	.	S	Bend	trans	-149.2	-173.7	-175.2	63.4	0	0	0	0	110.5	R146 Y150 I153	R146-S148 PolarHBondContact O-N 3.48Å; S148-Y150 PolarHBondContact O-N 2.04Å; S148-Y150 VanDerWaalsContact OG-CD2 3.27Å; S148-Y150 WeakPolarHBondContact OG-CD2 3.26Å; S148-Y150 PolarHBondContact OG-N 2.83Å; S148-I153 VanDerWaalsContact OG-CG2 3.29Å; S148-I153 WeakPolarHBondContact OG-CG2 3.46Å
149	Q	85.3	Confident	89.5	Confident	76 Å²	76	38.7 Å²	38.7	36%	0.355	18%	0.183	S	C	.	.	S	Bend	trans	-62.1	-15.9	170	67.5	-84.4	0.7	0	0	113.8	D120 F273	D120-Q149 PolarHBondContact OD2-NE2 3.47Å; Q149-F273 HydrophobicContact CG-CB 4.46Å; Q149-F273 HydrophobicContact CG-CD2 4.36Å; Q149-F273 HydrophobicContact CG-CG 4.28Å
150	Y	88.6	Confident	89.6	Confident	11 Å²	11	38.3 Å²	38.3	4%	0.043	18%	0.182	C	C	.	.	S	Bend	trans	-84.2	130.7	174	-45.3	-70.7	0	0	0	110.5	D120 L123 S148 V152 I153 A209 G237 F273	D120-Y150 VanDerWaalsContact OD2-CE2 3.27Å; D120-Y150 WeakPolarHBondContact OD2-CE2 3.22Å; D120-Y150 PolarHBondContact OD2-OH 3.06Å; L123-Y150 HydrophobicContact CD1-CD2 4.3Å; L123-Y150 HydrophobicContact CD1-CE2 3.83Å; L123-Y150 HydrophobicContact CD2-CD2 3.94Å; L123-Y150 HydrophobicContact CD2-CE2 4.07Å; L123-Y150 HydrophobicContact CG-CD2 4.36Å; L123-Y150 HydrophobicContact CG-CE2 3.98Å; S148-Y150 PolarHBondContact O-N 2.04Å; S148-Y150 VanDerWaalsContact OG-CD2 3.27Å; S148-Y150 WeakPolarHBondContact OG-CD2 3.26Å; S148-Y150 PolarHBondContact OG-N 2.83Å; Y150-V152 VanDerWaalsContact C-N 3.31Å; Y150-V152 PolarHBondContact O-N 2.93Å; Y150-I153 HydrophobicContact CD2-CG2 4.36Å; Y150-A209 HydrophobicContact CE2-CB 4.49Å; Y150-A209 WeakPolarHBondContact OH-CB 3.47Å; Y150-G237 VanDerWaalsContact CD2-CA 3.49Å; Y150-F273 AromaticContact CE1-CD2 3.98Å; Y150-F273 HydrophobicContact CE1-CD2 3.98Å; Y150-F273 HydrophobicContact CE1-CE2 4.05Å
151	H	82.4	Confident	89.8	Confident	42 Å²	42	38.9 Å²	38.9	19%	0.194	18%	0.181	C	C	.	.	S	Bend	trans	-56	-43.8	-175.4	176.2	62.7	0	0	0	113.3	Q145 R146 W456 H458	Q145-H151 WeakPolarHBondContact CA-O 3.31Å; R146-H151 PolarHBondContact N-O 3.13Å; H151-W456 AromaticContact CE1-CD2 3.47Å; H151-W456 VanDerWaalsContact CE1-CD2 3.47Å; H151-W456 AromaticContact CE1-CE3 3.26Å; H151-W456 AromaticContact CE1-CG 3.67Å; H151-W456 AromaticContact NE2-CE3 3.5Å; H151-H458 AromaticContact CD2-CE1 3.93Å; H151-H458 AromaticContact CD2-NE2 3.14Å; H151-H458 PolarHBondContact CD2-NE2 3.38Å; H151-H458 AromaticContact NE2-CD2 3.95Å; H151-H458 AromaticContact NE2-CE1 3.84Å; H151-H458 AromaticContact NE2-NE2 2.94Å; H151-H458 PolarHBondContact NE2-NE2 2.91Å
152	V	90.3	Very high	90.2	Very high	38 Å²	38	36.2 Å²	36.2	23%	0.23	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-132.2	135.3	168.2	173.1	0	0	0	0	107.2	R144 Q145 Y150 G239	R144-V152 HydrophobicContact CB-CG1 4.35Å; Q145-V152 HydrophobicContact CG-CG2 3.64Å; Y150-V152 VanDerWaalsContact C-N 3.31Å; Y150-V152 PolarHBondContact O-N 2.93Å; V152-G239 PolarHBondContact O-N 3.11Å
153	I	95.5	Very high	90.6	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.184	C	C	.	.			trans	-93.5	149.2	169.9	68	-179.9	0	0	0	111.3	L123 I126 R144 L147 S148 Y150 N235 Y236	L123-I153 HydrophobicContact CD2-CB 4.32Å; L123-I153 HydrophobicContact CD2-CG2 3.65Å; I126-I153 HydrophobicContact CG2-CD1 3.59Å; R144-I153 HydrophobicContact CB-CG1 3.87Å; R144-I153 WeakPolarHBondContact CD-O 3.49Å; R144-I153 HydrophobicContact CG-CG1 4.15Å; R144-I153 PolarHBondContact O-N 3.38Å; R144-I153 VanDerWaalsContact O-N 3.1Å; L147-I153 HydrophobicContact CB-CD1 4.41Å; L147-I153 HydrophobicContact CD1-CD1 3.93Å; S148-I153 VanDerWaalsContact OG-CG2 3.29Å; S148-I153 WeakPolarHBondContact OG-CG2 3.46Å; Y150-I153 HydrophobicContact CD2-CG2 4.36Å; I153-N235 HydrophobicContact CD1-CB 4.1Å; I153-Y236 CarbonylContact C-O 3.56Å; I153-Y236 VanDerWaalsContact CA-O 3.29Å; I153-Y236 WeakPolarHBondContact CA-O 3.41Å; I153-Y236 WeakPolarHBondContact CB-O 3.44Å
154	G	96.9	Very high	90.7	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	169.5	168	0	0	0	0	0	111.3	Q201 N235 Y236	G154-Q201 VanDerWaalsContact CA-OE1 3.26Å; G154-N235 VanDerWaalsContact O-CA 3.3Å; G154-N235 WeakPolarHBondContact O-CA 3.47Å; G154-N235 PolarHBondContact O-ND2 3.01Å; G154-Y236 PolarHBondContact N-O 2.69Å; G154-Y236 PolarHBondContact O-N 3.1Å; G154-Y236 VanDerWaalsContact O-N 3.07Å
155	E	97.9	Very high	90.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	123.5	-177.5	-174.7	167.4	82	0	0	112.7	H138 R139 I157 V233 C234 N235	H138-E155 VanDerWaalsContact CA-OE1 3.25Å; H138-E155 WeakPolarHBondContact CA-OE1 3.07Å; H138-E155 WeakPolarHBondContact CB-OE1 3.04Å; H138-E155 PolarHBondContact CE1-O 2.91Å; H138-E155 IonicContact CG-OE1 3.77Å; H138-E155 PolarHBondContact ND1-O 3.48Å; H138-E155 IonicContact ND1-OE1 3.06Å; H138-E155 PolarHBondContact ND1-OE1 3.13Å; R139-E155 IonicContact CZ-OE2 2.76Å; R139-E155 PolarHBondContact N-OE1 2.93Å; R139-E155 IonicContact NE-OE2 3.68Å; R139-E155 PolarHBondContact NE-OE2 2.86Å; R139-E155 IonicContact NH2-OE2 3.96Å; R139-E155 PolarHBondContact NH2-OE2 3.16Å; E155-I157 HydrophobicContact CG-CD1 4.26Å; E155-I157 HydrophobicContact CG-CG1 3.99Å; E155-V233 HydrophobicContact CG-CG1 4.29Å; E155-C234 CarbonylContact C-O 3.55Å; E155-C234 WeakPolarHBondContact CA-O 3.05Å; E155-N235 PolarHBondContact OE2-ND2 3.26Å; E155-N235 VanDerWaalsContact OE2-ND2 3.14Å
156	N	98	Very high	91	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.8	164.4	-70.5	9.5	0	0	0	108.4	F176 H198 Q201 C234 Y236	N156-F176 HydrophobicContact CB-CD1 4.01Å; N156-F176 HydrophobicContact CB-CD2 3.91Å; N156-F176 HydrophobicContact CB-CE1 3.7Å; N156-F176 HydrophobicContact CB-CE2 3.58Å; N156-F176 HydrophobicContact CB-CG 4.14Å; N156-F176 HydrophobicContact CB-CZ 3.48Å; N156-F176 VanDerWaalsContact CB-CZ 3.48Å; N156-F176 WeakPolarHBondContact ND2-CG 3.4Å; N156-H198 PolarHBondContact ND2-O 2.81Å; N156-H198 VanDerWaalsContact ND2-O 3.1Å; N156-Q201 WeakPolarHBondContact OD1-CB 3.17Å; N156-Q201 WeakPolarHBondContact OD1-CG 3.42Å; N156-C234 PolarHBondContact N-O 3.41Å; N156-C234 PolarHBondContact O-N 2.77Å; N156-Y236 HydrophobicContact CB-CE2 3.82Å; N156-Y236 PolarHBondContact ND2-OH 3.19Å
157	I	97.3	Very high	91.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.1	176.8	-61	176.5	0	0	0	108.7	A8 V9 E137 E155 F176 M231 I232 V233	A8-I157 HydrophobicContact CB-CB 3.68Å; A8-I157 HydrophobicContact CB-CG2 3.94Å; A8-I157 VanDerWaalsContact CB-O 3.27Å; A8-I157 WeakPolarHBondContact CB-O 3.43Å; V9-I157 PolarHBondContact N-O 2.91Å; V9-I157 VanDerWaalsContact N-O 3.1Å; E137-I157 VanDerWaalsContact O-CD1 3.28Å; E137-I157 WeakPolarHBondContact O-CD1 3.49Å; E155-I157 HydrophobicContact CG-CD1 4.26Å; E155-I157 HydrophobicContact CG-CG1 3.99Å; I157-F176 WeakPolarHBondContact O-CE1 3.27Å; I157-M231 HydrophobicContact CG2-CG 4.24Å; I157-M231 HydrophobicContact CG2-SD 4.48Å; I157-I232 WeakPolarHBondContact CA-O 3Å; I157-V233 HydrophobicContact CG1-CG1 4.31Å; I157-V233 HydrophobicContact CG1-CG2 4.27Å
158	W	96.6	Very high	91.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.9	177	178.5	106	0	0	0	109.6	V9 A11 S160 E162 V172 D175 F176 N230 M231 I232	V9-W158 VanDerWaalsContact O-CA 3.27Å; V9-W158 WeakPolarHBondContact O-CA 3.43Å; A11-W158 HydrophobicContact CB-CZ2 4.06Å; W158-S160 VanDerWaalsContact CH2-CB 3.42Å; W158-S160 WeakPolarHBondContact CH2-OG 3.26Å; W158-E162 WeakPolarHBondContact CH2-OE2 3.27Å; W158-V172 HydrophobicContact CB-CG1 3.78Å; W158-V172 HydrophobicContact CD2-CG1 4.08Å; W158-V172 HydrophobicContact CG-CG1 3.71Å; W158-D175 PolarHBondContact NE1-OD2 2.88Å; W158-F176 HydrophobicContact CB-CE1 3.7Å; W158-F176 HydrophobicContact CB-CZ 3.68Å; W158-N230 HydrophobicContact CZ3-CB 4.46Å; W158-M231 CarbonylContact O-C 3.46Å; W158-M231 WeakPolarHBondContact O-CA 3.43Å; W158-I232 HydrophobicContact CB-CB 4.46Å; W158-I232 HydrophobicContact CD2-CD1 4.37Å; W158-I232 HydrophobicContact CE3-CB 4.19Å; W158-I232 HydrophobicContact CE3-CD1 3.52Å; W158-I232 HydrophobicContact CE3-CG1 3.74Å; W158-I232 HydrophobicContact CZ3-CD1 3.6Å; W158-I232 HydrophobicContact CZ3-CG1 4.05Å; W158-I232 PolarHBondContact N-O 2.94Å; W158-I232 PolarHBondContact O-N 2.77Å
159	W	95.6	Very high	92.3	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157.3	168	74.4	104.3	0	0	0	113.1	A8 V9 F10 A11 A136 I220 G223 R224 N230 M231	A8-W159 VanDerWaalsContact C-CZ3 3.4Å; A8-W159 HydrophobicContact CB-CE3 4.08Å; A8-W159 HydrophobicContact CB-CH2 4.3Å; A8-W159 HydrophobicContact CB-CZ3 3.38Å; A8-W159 WeakPolarHBondContact O-CH2 3.34Å; A8-W159 VanDerWaalsContact O-CZ3 3.26Å; A8-W159 WeakPolarHBondContact O-CZ3 3.4Å; V9-W159 VanDerWaalsContact O-CZ3 3.23Å; V9-W159 WeakPolarHBondContact O-CZ3 3.44Å; V9-W159 PolarHBondContact O-N 2.93Å; V9-W159 VanDerWaalsContact O-N 3.11Å; F10-W159 WeakPolarHBondContact CA-O 3.25Å; F10-W159 HydrophobicContact CB-CD2 3.98Å; F10-W159 HydrophobicContact CB-CE3 4.23Å; F10-W159 HydrophobicContact CB-CH2 3.99Å; F10-W159 HydrophobicContact CB-CZ2 3.77Å; F10-W159 HydrophobicContact CB-CZ3 4.19Å; F10-W159 WeakPolarHBondContact CB-O 3.28Å; F10-W159 HydrophobicContact CD1-CH2 4.2Å; F10-W159 HydrophobicContact CD1-CZ2 4.22Å; F10-W159 HydrophobicContact CG-CH2 4.47Å; F10-W159 HydrophobicContact CG-CZ2 4.19Å; A11-W159 PolarHBondContact N-O 3.21Å; A11-W159 VanDerWaalsContact N-O 3.15Å; A136-W159 HydrophobicContact CB-CD2 3.87Å; A136-W159 HydrophobicContact CB-CE3 3.89Å; A136-W159 HydrophobicContact CB-CH2 4.07Å; A136-W159 HydrophobicContact CB-CZ2 3.99Å; A136-W159 HydrophobicContact CB-CZ3 4.02Å; W159-I220 HydrophobicContact CB-CD1 4.26Å; W159-I220 HydrophobicContact CG-CD1 4.39Å; W159-I220 HydrophobicContact CG-CG2 4.49Å; W159-G223 PolarHBondContact NE1-O 2.82Å; W159-R224 HydrophobicContact CH2-CG 4.31Å; W159-R224 HydrophobicContact CZ2-CB 4.04Å; W159-R224 HydrophobicContact CZ2-CG 3.83Å; W159-N230 CarbonylContact C-O 3.49Å; W159-N230 WeakPolarHBondContact CA-O 3.45Å; W159-N230 VanDerWaalsContact CB-O 3.23Å; W159-N230 WeakPolarHBondContact CB-O 3.44Å; W159-M231 HydrophobicContact CB-CB 4.18Å; W159-M231 HydrophobicContact CB-CG 4.14Å
160	S	94.7	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163	176.8	73.5	0	0	0	0	112.1	A11 W158 E162 G229 N230	A11-S160 VanDerWaalsContact O-CA 3.25Å; A11-S160 WeakPolarHBondContact O-CA 3.31Å; A11-S160 VanDerWaalsContact O-CB 3.28Å; A11-S160 WeakPolarHBondContact O-CB 3.42Å; W158-S160 VanDerWaalsContact CH2-CB 3.42Å; W158-S160 WeakPolarHBondContact CH2-OG 3.26Å; S160-E162 VanDerWaalsContact OG-CB 3.26Å; S160-E162 WeakPolarHBondContact OG-CB 3.38Å; S160-E162 VanDerWaalsContact OG-CG 3.31Å; S160-E162 WeakPolarHBondContact OG-CG 3.31Å; S160-E162 PolarHBondContact OG-N 2.88Å; S160-E162 PolarHBondContact OG-OE2 3Å; S160-G229 CarbonylContact O-C 3.59Å; S160-G229 VanDerWaalsContact O-CA 3.31Å; S160-G229 WeakPolarHBondContact O-CA 3.19Å; S160-N230 PolarHBondContact N-O 3.18Å; S160-N230 PolarHBondContact O-N 3.37Å
161	N	93.6	Very high	93.2	Very high	64 Å²	64	39.2 Å²	39.2	34%	0.342	19%	0.191	S	C	.	.			trans	-87.2	14.6	164.5	69.3	-22.6	0	0	0	112.5	S12 A13 R163 I226	S12-N161 WeakPolarHBondContact CA-OD1 3.39Å; A13-N161 PolarHBondContact N-OD1 2.78Å; N161-R163 PolarHBondContact O-N 2.82Å; N161-I226 HydrophobicContact CB-CG1 4.34Å; N161-I226 HydrophobicContact CB-CG2 3.97Å
162	E	91.9	Very high	93.9	Very high	43 Å²	43	37.3 Å²	37.3	20%	0.201	18%	0.182	C	C	.	.			trans	-62.1	135.2	179.4	-66.1	164.5	-171.1	0	0	109.8	W158 S160 Y164 R166 N230	W158-E162 WeakPolarHBondContact CH2-OE2 3.27Å; S160-E162 VanDerWaalsContact OG-CB 3.26Å; S160-E162 WeakPolarHBondContact OG-CB 3.38Å; S160-E162 VanDerWaalsContact OG-CG 3.31Å; S160-E162 WeakPolarHBondContact OG-CG 3.31Å; S160-E162 PolarHBondContact OG-N 2.88Å; S160-E162 PolarHBondContact OG-OE2 3Å; E162-Y164 PolarHBondContact O-N 3.11Å; E162-Y164 VanDerWaalsContact O-N 3.17Å; E162-R166 IonicContact OE1-CZ 2.72Å; E162-R166 IonicContact OE1-NE 2.92Å; E162-R166 PolarHBondContact OE1-NE 2.85Å; E162-R166 VanDerWaalsContact OE1-NE 3.15Å; E162-R166 IonicContact OE1-NH2 3.62Å; E162-R166 PolarHBondContact OE1-NH2 3.35Å; E162-R166 VanDerWaalsContact OE2-CG 3.23Å; E162-R166 WeakPolarHBondContact OE2-CG 3.23Å; E162-R166 IonicContact OE2-CZ 3.69Å; E162-R166 IonicContact OE2-NE 3.54Å; E162-R166 PolarHBondContact OE2-NE 3.43Å; E162-R166 IonicContact OE2-NH2 2.68Å; E162-N230 PolarHBondContact O-ND2 3.19Å
163	R	87.5	Confident	94.3	Very high	199 Å²	199	35.5 Å²	35.5	75%	0.751	17%	0.171	S	C	*	.	S	Bend	trans	-59.2	-30.4	-174	178.8	-179.8	-76.9	-96.3	4.1	113.4	N161	N161-R163 PolarHBondContact O-N 2.82Å
164	Y	89.6	Confident	94.4	Very high	175 Å²	175	40.3 Å²	40.3	69%	0.686	19%	0.189	S	C	*	.	S	Bend	trans	-130.1	150.1	-176.9	-55.7	-69.4	0	0	0	109.9	E162 R166 N230	E162-Y164 PolarHBondContact O-N 3.11Å; E162-Y164 VanDerWaalsContact O-N 3.17Å; Y164-R166 PolarHBondContact O-N 3.49Å; Y164-N230 VanDerWaalsContact C-ND2 3.29Å; Y164-N230 PolarHBondContact O-ND2 2.9Å
165	L	90.7	Very high	94.4	Very high	32 Å²	32	42.3 Å²	42.3	17%	0.168	20%	0.199	C	C	.	.			trans	-63.2	132.7	166.9	-176.2	67.3	0	0	0	108.4	Y88 M169 A214 N230 I232	Y88-L165 HydrophobicContact CD2-CD2 3.92Å; Y88-L165 HydrophobicContact CG-CD2 3.99Å; L165-M169 HydrophobicContact CD1-CE 4.03Å; L165-M169 HydrophobicContact CD1-SD 4.27Å; L165-M169 HydrophobicContact CG-CE 4.16Å; L165-M169 HydrophobicContact CG-SD 4.38Å; L165-A214 HydrophobicContact CD1-CB 3.78Å; L165-A214 HydrophobicContact CD2-CB 3.88Å; L165-N230 HydrophobicContact CD1-CB 4.26Å; L165-N230 PolarHBondContact N-ND2 3.4Å; L165-I232 HydrophobicContact CD1-CD1 3.68Å; L165-I232 HydrophobicContact CD1-CG1 3.97Å
166	R	90.2	Very high	94.4	Very high	55 Å²	55	42.2 Å²	42.2	21%	0.208	20%	0.199	C	C	.	.			trans	-58.2	142.2	-179.8	-59	-177.2	-180	173.8	-3.8	110.8	E162 Y164 M169 S171 D175	E162-R166 IonicContact OE1-CZ 2.72Å; E162-R166 IonicContact OE1-NE 2.92Å; E162-R166 PolarHBondContact OE1-NE 2.85Å; E162-R166 VanDerWaalsContact OE1-NE 3.15Å; E162-R166 IonicContact OE1-NH2 3.62Å; E162-R166 PolarHBondContact OE1-NH2 3.35Å; E162-R166 VanDerWaalsContact OE2-CG 3.23Å; E162-R166 WeakPolarHBondContact OE2-CG 3.23Å; E162-R166 IonicContact OE2-CZ 3.69Å; E162-R166 IonicContact OE2-NE 3.54Å; E162-R166 PolarHBondContact OE2-NE 3.43Å; E162-R166 IonicContact OE2-NH2 2.68Å; Y164-R166 PolarHBondContact O-N 3.49Å; R166-M169 HydrophobicContact CB-CE 3.75Å; R166-M169 WeakPolarHBondContact O-CE 3.44Å; R166-S171 WeakPolarHBondContact CD-OG 3.26Å; R166-S171 PolarHBondContact NH1-OG 2.66Å; R166-D175 IonicContact CZ-OD2 3.29Å; R166-D175 IonicContact NH1-OD1 2.91Å; R166-D175 IonicContact NH1-OD2 3.85Å; R166-D175 PolarHBondContact NH1-OD2 2.65Å; R166-D175 IonicContact NH2-OD2 3.6Å; R166-D175 PolarHBondContact NH2-OD2 2.97Å
167	A	88.9	Confident	94.5	Very high	89 Å²	89	43.6 Å²	43.6	74%	0.736	21%	0.205	S	C	*	.	S	Bend	trans	-71	-48.8	175.8	0	0	0	0	0	111.4	M169	A167-M169 PolarHBondContact O-N 3.21Å
168	D	92	Very high	94.4	Very high	63 Å²	63	46.8 Å²	46.8	34%	0.337	23%	0.228	S	C	.	.			trans	-79	102.2	171.1	174.5	31.7	0	0	0	110.9	G170 S171 R174	D168-G170 PolarHBondContact O-N 3.2Å; D168-G170 VanDerWaalsContact OD1-CA 3.28Å; D168-G170 WeakPolarHBondContact OD1-CA 3.41Å; D168-G170 PolarHBondContact OD1-N 2.93Å; D168-S171 WeakPolarHBondContact O-CB 3.4Å; D168-S171 PolarHBondContact O-N 3.37Å; D168-S171 PolarHBondContact O-OG 3.26Å; D168-S171 PolarHBondContact OD2-N 3.45Å; D168-S171 VanDerWaalsContact OD2-N 3.09Å; D168-R174 IonicContact OD2-CZ 3.74Å; D168-R174 VanDerWaalsContact OD2-CZ 3.29Å; D168-R174 IonicContact OD2-NH1 3.19Å; D168-R174 PolarHBondContact OD2-NH1 3.19Å; D168-R174 IonicContact OD2-NH2 3.36Å; D168-R174 PolarHBondContact OD2-NH2 3.13Å
169	M	95.4	Very high	94.5	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.6	171.9	-65.5	-74.8	78	0	0	113.3	F90 Q94 V98 L165 R166 A167 S171 V172 I232	F90-M169 HydrophobicContact CD2-CG 4.24Å; F90-M169 HydrophobicContact CE1-CG 4.49Å; F90-M169 HydrophobicContact CE1-SD 3.84Å; F90-M169 HydrophobicContact CE2-CB 4.14Å; F90-M169 HydrophobicContact CE2-CG 3.81Å; F90-M169 HydrophobicContact CE2-SD 3.82Å; F90-M169 HydrophobicContact CZ-CG 3.95Å; F90-M169 HydrophobicContact CZ-SD 3.35Å; F90-M169 WeakPolarHBondContact CZ-SD 3.47Å; Q94-M169 HydrophobicContact CB-CB 4.47Å; Q94-M169 HydrophobicContact CB-CG 3.87Å; Q94-M169 HydrophobicContact CG-CG 3.81Å; V98-M169 HydrophobicContact CG2-CB 3.61Å; L165-M169 HydrophobicContact CD1-CE 4.03Å; L165-M169 HydrophobicContact CD1-SD 4.27Å; L165-M169 HydrophobicContact CG-CE 4.16Å; L165-M169 HydrophobicContact CG-SD 4.38Å; R166-M169 HydrophobicContact CB-CE 3.75Å; R166-M169 WeakPolarHBondContact O-CE 3.44Å; A167-M169 PolarHBondContact O-N 3.21Å; M169-S171 VanDerWaalsContact C-N 3.26Å; M169-S171 PolarHBondContact O-N 3.38Å; M169-V172 HydrophobicContact CE-CG2 3.87Å; M169-V172 PolarHBondContact O-N 3.34Å; M169-I232 HydrophobicContact CE-CD1 3.9Å; M169-I232 HydrophobicContact SD-CD1 4.09Å
170	G	96.6	Very high	94.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-36.3	167.9	0	0	0	0	0	111.9	D168 V172 I173 R174	D168-G170 PolarHBondContact O-N 3.2Å; D168-G170 VanDerWaalsContact OD1-CA 3.28Å; D168-G170 WeakPolarHBondContact OD1-CA 3.41Å; D168-G170 PolarHBondContact OD1-N 2.93Å; G170-V172 PolarHBondContact O-N 3.25Å; G170-V172 VanDerWaalsContact O-N 3.1Å; G170-I173 WeakPolarHBondContact O-CA 3.28Å; G170-I173 WeakPolarHBondContact O-CB 3.36Å; G170-I173 PolarHBondContact O-N 3.41Å; G170-R174 PolarHBondContact O-N 3.29Å
171	S	96.3	Very high	94.6	Very high	14 Å²	14	55.6 Å²	55.6	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-53.1	-34.9	175.9	69.6	0	0	0	0	114.1	R166 D168 M169 I173 R174 D175	R166-S171 WeakPolarHBondContact CD-OG 3.26Å; R166-S171 PolarHBondContact NH1-OG 2.66Å; D168-S171 WeakPolarHBondContact O-CB 3.4Å; D168-S171 PolarHBondContact O-N 3.37Å; D168-S171 PolarHBondContact O-OG 3.26Å; D168-S171 PolarHBondContact OD2-N 3.45Å; D168-S171 VanDerWaalsContact OD2-N 3.09Å; M169-S171 VanDerWaalsContact C-N 3.26Å; M169-S171 PolarHBondContact O-N 3.38Å; S171-I173 VanDerWaalsContact C-N 3.33Å; S171-R174 PolarHBondContact O-N 3.16Å; S171-D175 VanDerWaalsContact O-CG 3.31Å; S171-D175 PolarHBondContact O-N 3.17Å
172	V	97.1	Very high	94.8	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-71.6	-31.8	178.2	-176.1	0	0	0	0	111.1	W158 M169 G170 D175 F176 I232	W158-V172 HydrophobicContact CB-CG1 3.78Å; W158-V172 HydrophobicContact CD2-CG1 4.08Å; W158-V172 HydrophobicContact CG-CG1 3.71Å; M169-V172 HydrophobicContact CE-CG2 3.87Å; M169-V172 PolarHBondContact O-N 3.34Å; G170-V172 PolarHBondContact O-N 3.25Å; G170-V172 VanDerWaalsContact O-N 3.1Å; V172-D175 PolarHBondContact O-N 2.79Å; V172-F176 HydrophobicContact CG1-CE2 3.92Å; V172-F176 HydrophobicContact CG1-CZ 4.02Å; V172-F176 VanDerWaalsContact O-CD2 3.31Å; V172-F176 WeakPolarHBondContact O-CD2 3.27Å; V172-F176 WeakPolarHBondContact O-CG 3.49Å; V172-F176 PolarHBondContact O-N 2.87Å; V172-I232 HydrophobicContact CB-CD1 4.47Å; V172-I232 HydrophobicContact CG1-CD1 4.17Å; V172-I232 HydrophobicContact CG1-CG2 4.33Å; V172-I232 HydrophobicContact CG2-CD1 3.57Å
173	I	98.3	Very high	95	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-75.6	-34.7	175.6	-46.5	-46.3	0	0	0	110.3	V98 E101 H102 L105 G170 S171 F176 H177 V202	V98-I173 HydrophobicContact CG1-CD1 4.26Å; V98-I173 HydrophobicContact CG1-CG1 4.33Å; E101-I173 HydrophobicContact CB-CB 4.23Å; E101-I173 HydrophobicContact CB-CG2 4.48Å; E101-I173 HydrophobicContact CG-CB 3.9Å; E101-I173 HydrophobicContact CG-CG2 4.17Å; H102-I173 WeakPolarHBondContact CE1-CD1 3.49Å; L105-I173 HydrophobicContact CD1-CG2 4.17Å; G170-I173 WeakPolarHBondContact O-CA 3.28Å; G170-I173 WeakPolarHBondContact O-CB 3.36Å; G170-I173 PolarHBondContact O-N 3.41Å; S171-I173 VanDerWaalsContact C-N 3.33Å; I173-F176 HydrophobicContact CD1-CD2 3.96Å; I173-F176 HydrophobicContact CD1-CE2 4.13Å; I173-F176 PolarHBondContact O-N 2.84Å; I173-H177 VanDerWaalsContact O-CB 3.31Å; I173-H177 WeakPolarHBondContact O-CB 3.46Å; I173-H177 PolarHBondContact O-N 3.2Å; I173-V202 HydrophobicContact CG2-CG1 4.31Å; I173-V202 HydrophobicContact CG2-CG2 4.26Å
174	R	97.9	Very high	95.2	Very high	101 Å²	101	48.7 Å²	48.7	38%	0.381	25%	0.248	S	C	.	.	H	α-helix	trans	-64.6	-39.7	168.8	-60.9	-169.3	-61.6	-86.1	1.9	111.5	E101 L105 D168 G170 S171 H177 S178	E101-R174 HydrophobicContact CG-CG 3.73Å; E101-R174 WeakPolarHBondContact OE1-CD 3.42Å; E101-R174 VanDerWaalsContact OE1-CG 3.26Å; E101-R174 WeakPolarHBondContact OE1-CG 3.33Å; E101-R174 WeakPolarHBondContact OE2-CD 3.38Å; E101-R174 IonicContact OE2-CZ 3.64Å; E101-R174 IonicContact OE2-NE 3.24Å; E101-R174 IonicContact OE2-NH1 3.64Å; E101-R174 PolarHBondContact OE2-NH1 3.34Å; L105-R174 HydrophobicContact CD1-CG 4.49Å; D168-R174 IonicContact OD2-CZ 3.74Å; D168-R174 VanDerWaalsContact OD2-CZ 3.29Å; D168-R174 IonicContact OD2-NH1 3.19Å; D168-R174 PolarHBondContact OD2-NH1 3.19Å; D168-R174 IonicContact OD2-NH2 3.36Å; D168-R174 PolarHBondContact OD2-NH2 3.13Å; G170-R174 PolarHBondContact O-N 3.29Å; S171-R174 PolarHBondContact O-N 3.16Å; R174-H177 CarbonylContact O-C 3.47Å; R174-H177 PolarHBondContact O-N 3.44Å; R174-S178 PolarHBondContact O-N 3.06Å
175	D	97.1	Very high	95.3	Very high	43 Å²	43	41.6 Å²	41.6	23%	0.23	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-44	172.4	-70.4	-6.7	0	0	0	111.5	V9 W158 R166 S171 V172 S178	V9-D175 HydrophobicContact CG1-CB 4.31Å; W158-D175 PolarHBondContact NE1-OD2 2.88Å; R166-D175 IonicContact CZ-OD2 3.29Å; R166-D175 IonicContact NH1-OD1 2.91Å; R166-D175 IonicContact NH1-OD2 3.85Å; R166-D175 PolarHBondContact NH1-OD2 2.65Å; R166-D175 IonicContact NH2-OD2 3.6Å; R166-D175 PolarHBondContact NH2-OD2 2.97Å; S171-D175 VanDerWaalsContact O-CG 3.31Å; S171-D175 PolarHBondContact O-N 3.17Å; V172-D175 PolarHBondContact O-N 2.79Å; D175-S178 WeakPolarHBondContact O-CB 3.39Å; D175-S178 PolarHBondContact O-N 3.47Å; D175-S178 PolarHBondContact O-OG 3.13Å
176	F	97.9	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-42.2	172.8	-69.1	-35.9	0	0	0	113.3	V9 N156 I157 W158 V172 I173 S178 H198 Y199 V202 C234	V9-F176 HydrophobicContact CB-CD1 4.3Å; V9-F176 HydrophobicContact CB-CE1 4.35Å; V9-F176 HydrophobicContact CG2-CD1 3.8Å; V9-F176 HydrophobicContact CG2-CE1 4.23Å; N156-F176 HydrophobicContact CB-CD1 4.01Å; N156-F176 HydrophobicContact CB-CD2 3.91Å; N156-F176 HydrophobicContact CB-CE1 3.7Å; N156-F176 HydrophobicContact CB-CE2 3.58Å; N156-F176 HydrophobicContact CB-CG 4.14Å; N156-F176 HydrophobicContact CB-CZ 3.48Å; N156-F176 VanDerWaalsContact CB-CZ 3.48Å; N156-F176 WeakPolarHBondContact ND2-CG 3.4Å; I157-F176 WeakPolarHBondContact O-CE1 3.27Å; W158-F176 HydrophobicContact CB-CE1 3.7Å; W158-F176 HydrophobicContact CB-CZ 3.68Å; V172-F176 HydrophobicContact CG1-CE2 3.92Å; V172-F176 HydrophobicContact CG1-CZ 4.02Å; V172-F176 VanDerWaalsContact O-CD2 3.31Å; V172-F176 WeakPolarHBondContact O-CD2 3.27Å; V172-F176 WeakPolarHBondContact O-CG 3.49Å; V172-F176 PolarHBondContact O-N 2.87Å; I173-F176 HydrophobicContact CD1-CD2 3.96Å; I173-F176 HydrophobicContact CD1-CE2 4.13Å; I173-F176 PolarHBondContact O-N 2.84Å; F176-S178 VanDerWaalsContact C-N 3.31Å; F176-H198 HydrophobicContact CB-CB 3.85Å; F176-H198 HydrophobicContact CD1-CB 3.79Å; F176-H198 AromaticContact CD1-CD2 3.66Å; F176-H198 AromaticContact CD1-CG 3.85Å; F176-H198 AromaticContact CE1-CD2 3.84Å; F176-H198 HydrophobicContact CG-CB 4.12Å; F176-Y199 PolarHBondContact O-N 2.91Å; F176-V202 HydrophobicContact CB-CG2 3.86Å; F176-C234 HydrophobicContact CE2-CB 4.46Å
177	H	98.2	Very high	95.3	Very high	29 Å²	29	48 Å²	48	13%	0.134	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-22.6	179.5	175.1	-89.2	0	0	0	112.9	L105 E109 I173 R174 E179 K180 Y199	L105-H177 HydrophobicContact CD1-CB 3.72Å; E109-H177 IonicContact OE1-NE2 2.72Å; I173-H177 VanDerWaalsContact O-CB 3.31Å; I173-H177 WeakPolarHBondContact O-CB 3.46Å; I173-H177 PolarHBondContact O-N 3.2Å; R174-H177 CarbonylContact O-C 3.47Å; R174-H177 PolarHBondContact O-N 3.44Å; H177-E179 PolarHBondContact O-N 2.74Å; H177-K180 VanDerWaalsContact O-CB 3.27Å; H177-K180 WeakPolarHBondContact O-CB 3.29Å; H177-K180 PolarHBondContact O-N 3.36Å; H177-Y199 AromaticContact CD2-CD2 3.61Å; H177-Y199 AromaticContact CD2-CE2 3.74Å; H177-Y199 AromaticContact NE2-CE2 3.83Å
178	S	97.3	Very high	95.4	Very high	68 Å²	68	45.7 Å²	45.7	48%	0.476	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-54.8	-26.6	179.4	75.2	0	0	0	0	113.4	R174 D175 F176 K180	R174-S178 PolarHBondContact O-N 3.06Å; D175-S178 WeakPolarHBondContact O-CB 3.39Å; D175-S178 PolarHBondContact O-N 3.47Å; D175-S178 PolarHBondContact O-OG 3.13Å; F176-S178 VanDerWaalsContact C-N 3.31Å; S178-K180 PolarHBondContact O-N 2.69Å; S178-K180 VanDerWaalsContact O-N 3.07Å
179	E	97.7	Very high	95.3	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.047	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-64.2	-7.6	174	-55.6	-170.9	146.7	0	0	114.5	H177 V181 Y182 Q195 C196 G197 H198	H177-E179 PolarHBondContact O-N 2.74Å; E179-V181 PolarHBondContact O-N 2.76Å; E179-Y182 WeakPolarHBondContact O-CA 3.2Å; E179-Y182 WeakPolarHBondContact O-CB 3.43Å; E179-Y182 PolarHBondContact O-N 2.83Å; E179-Q195 VanDerWaalsContact OE1-CB 3.25Å; E179-Q195 WeakPolarHBondContact OE1-CB 3.4Å; E179-C196 HydrophobicContact CB-CB 4.45Å; E179-C196 WeakPolarHBondContact OE2-CA 3.24Å; E179-C196 PolarHBondContact OE2-N 3.23Å; E179-G197 PolarHBondContact OE2-N 3.04Å; E179-G197 VanDerWaalsContact OE2-N 3.13Å; E179-H198 IonicContact OE1-CE1 3.6Å; E179-H198 IonicContact OE1-CG 3.33Å; E179-H198 IonicContact OE1-ND1 2.78Å; E179-H198 PolarHBondContact OE1-ND1 3.25Å; E179-H198 WeakPolarHBondContact OE2-CB 3.36Å; E179-H198 IonicContact OE2-CG 3.15Å; E179-H198 PolarHBondContact OE2-N 3.39Å; E179-H198 IonicContact OE2-ND1 3.58Å; E179-H198 PolarHBondContact OE2-ND1 3.46Å; E179-H198 VanDerWaalsContact OE2-ND1 3.14Å
180	K	96.8	Very high	95.2	Very high	68 Å²	68	45.9 Å²	45.9	30%	0.296	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-50.3	-40.2	175.3	-176.5	168.6	-169.3	165.1	0	112.5	E109 H177 S178 Y182 Y183 Y199	E109-K180 WeakPolarHBondContact OE1-CE 3.35Å; E109-K180 IonicContact OE1-NZ 2.72Å; E109-K180 PolarHBondContact OE1-NZ 3.43Å; E109-K180 IonicContact OE2-NZ 3.15Å; E109-K180 PolarHBondContact OE2-NZ 2.9Å; H177-K180 VanDerWaalsContact O-CB 3.27Å; H177-K180 WeakPolarHBondContact O-CB 3.29Å; H177-K180 PolarHBondContact O-N 3.36Å; S178-K180 PolarHBondContact O-N 2.69Å; S178-K180 VanDerWaalsContact O-N 3.07Å; K180-Y182 PolarHBondContact O-N 2.92Å; K180-Y183 PolarHBondContact O-N 3.25Å; K180-Y199 HydrophobicContact CB-CD1 4.46Å; K180-Y199 HydrophobicContact CB-CD2 3.58Å; K180-Y199 HydrophobicContact CB-CE1 4.5Å; K180-Y199 HydrophobicContact CB-CE2 3.61Å; K180-Y199 HydrophobicContact CB-CG 4.02Å; K180-Y199 HydrophobicContact CD-CD2 4.4Å; K180-Y199 HydrophobicContact CD-CE2 3.62Å; K180-Y199 HydrophobicContact CG-CD2 4.1Å; K180-Y199 HydrophobicContact CG-CE1 4.31Å; K180-Y199 HydrophobicContact CG-CE2 3.57Å
181	V	96.2	Very high	95.1	Very high	110 Å²	110	49.3 Å²	49.3	67%	0.667	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-66.4	-7.7	179.3	-53.4	0	0	0	0	113.5	E179	E179-V181 PolarHBondContact O-N 2.76Å
182	Y	96.5	Very high	94.9	Very high	74 Å²	74	60.6 Å²	60.6	29%	0.29	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-108.9	6.2	175.7	-53.7	-39	0	0	0	113.3	E179 K180 C190 L191 R194 Q195	E179-Y182 WeakPolarHBondContact O-CA 3.2Å; E179-Y182 WeakPolarHBondContact O-CB 3.43Å; E179-Y182 PolarHBondContact O-N 2.83Å; K180-Y182 PolarHBondContact O-N 2.92Å; Y182-C190 CarbonylContact O-C 3.58Å; Y182-C190 WeakPolarHBondContact O-CA 3.41Å; Y182-L191 HydrophobicContact CD1-CD1 4.22Å; Y182-L191 PolarHBondContact O-N 2.76Å; Y182-R194 HydrophobicContact CD1-CB 4.15Å; Y182-R194 HydrophobicContact CD1-CG 3.84Å; Y182-R194 HydrophobicContact CD2-CB 4.01Å; Y182-R194 HydrophobicContact CD2-CG 4.38Å; Y182-R194 HydrophobicContact CE1-CG 4.2Å; Y182-R194 HydrophobicContact CG-CB 3.72Å; Y182-R194 HydrophobicContact CG-CG 3.96Å; Y182-R194 PolarHBondContact OH-NH1 2.86Å; Y182-R194 VanDerWaalsContact OH-NH1 3.09Å; Y182-Q195 WeakPolarHBondContact CB-O 3.29Å; Y182-Q195 WeakPolarHBondContact CD2-O 3.3Å
183	Y	96.1	Very high	94.7	Very high	19 Å²	19	64 Å²	64	8%	0.075	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.7	-179.6	176.5	-111.5	0	0	0	113.6	K180 Y185 H188 S189 C196 Y199 I200 P247	K180-Y183 PolarHBondContact O-N 3.25Å; Y183-Y185 VanDerWaalsContact CE1-CA 3.43Å; Y183-Y185 HydrophobicContact CE1-CD2 4.14Å; Y183-Y185 HydrophobicContact CE1-CG 4.38Å; Y183-H188 AromaticContact CE2-ND1 3.58Å; Y183-H188 AromaticContact CZ-ND1 3.69Å; Y183-H188 PolarHBondContact OH-ND1 2.9Å; Y183-S189 WeakPolarHBondContact CD2-O 3.35Å; Y183-C196 VanDerWaalsContact CD2-SG 3.6Å; Y183-Y199 HydrophobicContact CD1-CD1 4.25Å; Y183-Y199 AromaticContact CD1-CE1 3.53Å; Y183-Y199 HydrophobicContact CD1-CE1 3.53Å; Y183-Y199 HydrophobicContact CE1-CE1 4.23Å; Y183-Y199 HydrophobicContact CG-CD1 4.21Å; Y183-Y199 AromaticContact CG-CE1 3.94Å; Y183-Y199 HydrophobicContact CG-CE1 3.94Å; Y183-I200 HydrophobicContact CD2-CD1 3.72Å; Y183-I200 HydrophobicContact CD2-CG1 4.02Å; Y183-I200 HydrophobicContact CE2-CD1 3.69Å; Y183-I200 HydrophobicContact CE2-CG1 4.04Å; Y183-I200 HydrophobicContact CG-CG1 4.43Å; Y183-P247 HydrophobicContact CE1-CG 4.31Å; Y183-P247 VanDerWaalsContact OH-CD 3.23Å; Y183-P247 WeakPolarHBondContact OH-CD 3.45Å
184	N	92.5	Very high	94.4	Very high	67 Å²	67	70.7 Å²	70.7	36%	0.358	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	106.5	172.3	-66.9	-35.2	0	0	0	110.2	H186 H188 S189 L191	N184-H186 VanDerWaalsContact C-N 3.31Å; N184-H186 PolarHBondContact O-N 3.14Å; N184-H188 WeakPolarHBondContact O-CA 3.4Å; N184-H188 PolarHBondContact O-N 2.93Å; N184-S189 PolarHBondContact N-O 2.82Å; N184-S189 PolarHBondContact O-N 3.07Å; N184-L191 WeakPolarHBondContact ND2-CD2 3.29Å
185	Y	92.4	Very high	94.1	Very high	27 Å²	27	67.7 Å²	67.7	11%	0.106	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-40.3	179.9	179.9	-80.3	0	0	0	112.6	Y183 P187 H188 R246 Y248 W250	Y183-Y185 VanDerWaalsContact CE1-CA 3.43Å; Y183-Y185 HydrophobicContact CE1-CD2 4.14Å; Y183-Y185 HydrophobicContact CE1-CG 4.38Å; Y185-P187 CarbonylContact O-C 3.59Å; Y185-H188 PolarHBondContact O-N 2.9Å; Y185-R246 HydrophobicContact CE2-CB 4.09Å; Y185-R246 HydrophobicContact CE2-CG 4.48Å; Y185-R246 WeakPolarHBondContact O-CD 3.39Å; Y185-R246 PolarHBondContact O-NE 3.22Å; Y185-Y248 HydrophobicContact CD2-CD2 4.44Å; Y185-Y248 AromaticContact CD2-CE2 3.77Å; Y185-Y248 HydrophobicContact CD2-CE2 3.77Å; Y185-Y248 AromaticContact CD2-CZ 3.79Å; Y185-Y248 AromaticContact CE2-CD2 3.79Å; Y185-Y248 HydrophobicContact CE2-CD2 3.79Å; Y185-Y248 AromaticContact CE2-CE2 3.52Å; Y185-Y248 HydrophobicContact CE2-CE2 3.52Å; Y185-Y248 HydrophobicContact CE2-CG 4.46Å; Y185-Y248 AromaticContact CE2-CZ 3.98Å; Y185-Y248 WeakPolarHBondContact CE2-O 3.17Å; Y185-Y248 PolarHBondContact OH-O 3Å; Y185-Y248 VanDerWaalsContact OH-O 3.1Å; Y185-W250 HydrophobicContact CD1-CD2 4.5Å; Y185-W250 AromaticContact CD1-CE3 3.6Å; Y185-W250 HydrophobicContact CD1-CE3 3.6Å; Y185-W250 HydrophobicContact CD1-CZ3 4.1Å; Y185-W250 HydrophobicContact CD2-CE3 4.07Å; Y185-W250 HydrophobicContact CD2-CZ3 4.48Å; Y185-W250 HydrophobicContact CE1-CB 3.86Å; Y185-W250 HydrophobicContact CE1-CD2 4.34Å; Y185-W250 AromaticContact CE1-CE3 3.77Å; Y185-W250 HydrophobicContact CE1-CE3 3.77Å; Y185-W250 HydrophobicContact CE1-CG 4.43Å; Y185-W250 HydrophobicContact CE2-CE3 4.21Å; Y185-W250 AromaticContact CG-CE3 3.8Å; Y185-W250 HydrophobicContact CG-CE3 3.8Å; Y185-W250 HydrophobicContact CG-CZ3 4.02Å; Y185-W250 PolarHBondContact OH-N 3.16Å
186	H	89.4	Confident	94	Very high	129 Å²	129	65.7 Å²	65.7	60%	0.597	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	119.7	159	-61.1	120.3	0	0	0	106.7	N184	N184-H186 VanDerWaalsContact C-N 3.31Å; N184-H186 PolarHBondContact O-N 3.14Å
187	P	89.8	Confident	93.9	Very high	92 Å²	92	66.2 Å²	66.2	60%	0.597	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.7	-3.9	14.3	34.2	-36.9	0	0	0	116.2	Y185 R246	Y185-P187 CarbonylContact O-C 3.59Å; P187-R246 PolarHBondContact O-NH2 3.13Å
188	H	91	Very high	93.9	Very high	40 Å²	40	65.2 Å²	65.2	19%	0.185	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	74.6	-157.8	-178.3	72.5	0	0	0	111.5	Y183 N184 Y185 V245 R246	Y183-H188 AromaticContact CE2-ND1 3.58Å; Y183-H188 AromaticContact CZ-ND1 3.69Å; Y183-H188 PolarHBondContact OH-ND1 2.9Å; N184-H188 WeakPolarHBondContact O-CA 3.4Å; N184-H188 PolarHBondContact O-N 2.93Å; Y185-H188 PolarHBondContact O-N 2.9Å; H188-V245 PolarHBondContact CE1-O 3.48Å; H188-V245 PolarHBondContact NE2-O 3.17Å; H188-R246 HydrophobicContact CB-CG 3.92Å
189	S	91.5	Very high	94	Very high	42 Å²	42	62.1 Å²	62.1	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155.2	176.4	58.8	0	0	0	0	111.7	Y183 N184	Y183-S189 WeakPolarHBondContact CD2-O 3.35Å; N184-S189 PolarHBondContact N-O 2.82Å; N184-S189 PolarHBondContact O-N 3.07Å
190	C	92.9	Very high	94	Very high	28 Å²	28	61.8 Å²	61.8	19%	0.189	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	154.8	159.5	-46.8	0	0	0	0	110	Y182 C196	Y182-C190 CarbonylContact O-C 3.58Å; Y182-C190 WeakPolarHBondContact O-CA 3.41Å; C190-C196 WeakPolarHBondContact CA-SG 3.47Å; C190-C196 HydrophobicContact CB-CB 3.99Å; C190-C196 WeakPolarHBondContact CB-SG 3.03Å; C190-C196 WeakPolarHBondContact SG-CB 3.34Å; C190-C196 PolarHBondContact SG-N 3.43Å; C190-C196 CovalentContact SG-SG 2.04Å; C190-C196 PolarHBondContact SG-SG 2.97Å
191	L	93.5	Very high	94	Very high	72 Å²	72	58.6 Å²	58.6	38%	0.377	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-59.3	146.6	168.7	-63.4	-178.8	0	0	0	111.3	Y182 N184 G193 R194	Y182-L191 HydrophobicContact CD1-CD1 4.22Å; Y182-L191 PolarHBondContact O-N 2.76Å; N184-L191 WeakPolarHBondContact ND2-CD2 3.29Å; L191-G193 PolarHBondContact O-N 3.36Å; L191-R194 HydrophobicContact CB-CB 4.1Å; L191-R194 HydrophobicContact CB-CG 4.02Å; L191-R194 WeakPolarHBondContact O-CB 3.49Å; L191-R194 PolarHBondContact O-N 2.85Å
192	R	92.7	Very high	94.2	Very high	251 Å²	251	53.4 Å²	53.4	95%	0.947	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	121.1	-173.2	-167.1	-178.7	75.4	99.3	-2.1	111.6	R194	R192-R194 PolarHBondContact O-N 3.3Å
193	G	92.3	Very high	94.2	Very high	72 Å²	72	49.9 Å²	49.9	74%	0.742	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-5.8	-179.2	0	0	0	0	0	115.3	L191	L191-G193 PolarHBondContact O-N 3.36Å
194	R	93.3	Very high	94.4	Very high	142 Å²	142	49.3 Å²	49.3	54%	0.536	25%	0.254	S	S	.	.			trans	-89.5	178.3	169.8	-60.4	-67.3	178.6	165.3	-5.1	110.5	Y182 L191 R192	Y182-R194 HydrophobicContact CD1-CB 4.15Å; Y182-R194 HydrophobicContact CD1-CG 3.84Å; Y182-R194 HydrophobicContact CD2-CB 4.01Å; Y182-R194 HydrophobicContact CD2-CG 4.38Å; Y182-R194 HydrophobicContact CE1-CG 4.2Å; Y182-R194 HydrophobicContact CG-CB 3.72Å; Y182-R194 HydrophobicContact CG-CG 3.96Å; Y182-R194 PolarHBondContact OH-NH1 2.86Å; Y182-R194 VanDerWaalsContact OH-NH1 3.09Å; L191-R194 HydrophobicContact CB-CB 4.1Å; L191-R194 HydrophobicContact CB-CG 4.02Å; L191-R194 WeakPolarHBondContact O-CB 3.49Å; L191-R194 PolarHBondContact O-N 2.85Å; R192-R194 PolarHBondContact O-N 3.3Å
195	Q	91.4	Very high	94.6	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.182	24%	0.238	C	C	.	.			trans	-128	152.9	-179.5	-55.1	-164.1	111.7	0	0	109.8	D5 K7 E179 Y182	D5-Q195 PolarHBondContact O-OE1 3.19Å; K7-Q195 VanDerWaalsContact CA-OE1 3.25Å; K7-Q195 HydrophobicContact CD-CG 4.38Å; K7-Q195 VanDerWaalsContact CD-OE1 3.24Å; K7-Q195 VanDerWaalsContact O-CD 3.26Å; K7-Q195 PolarHBondContact O-NE2 3.43Å; K7-Q195 PolarHBondContact O-OE1 3.08Å; E179-Q195 VanDerWaalsContact OE1-CB 3.25Å; E179-Q195 WeakPolarHBondContact OE1-CB 3.4Å; Y182-Q195 WeakPolarHBondContact CB-O 3.29Å; Y182-Q195 WeakPolarHBondContact CD2-O 3.3Å
196	C	95.5	Very high	94.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	25%	0.251	C	S	.	.			trans	-152.7	12.1	175	69	0	0	0	0	113.4	E179 Y183 C190 H198 Y199 I200	E179-C196 HydrophobicContact CB-CB 4.45Å; E179-C196 WeakPolarHBondContact OE2-CA 3.24Å; E179-C196 PolarHBondContact OE2-N 3.23Å; Y183-C196 VanDerWaalsContact CD2-SG 3.6Å; C190-C196 WeakPolarHBondContact CA-SG 3.47Å; C190-C196 HydrophobicContact CB-CB 3.99Å; C190-C196 WeakPolarHBondContact CB-SG 3.03Å; C190-C196 WeakPolarHBondContact SG-CB 3.34Å; C190-C196 PolarHBondContact SG-N 3.43Å; C190-C196 CovalentContact SG-SG 2.04Å; C190-C196 PolarHBondContact SG-SG 2.97Å; C196-H198 PolarHBondContact O-N 2.93Å; C196-Y199 PolarHBondContact O-N 3.17Å; C196-I200 HydrophobicContact CB-CD1 4.44Å; C196-I200 WeakPolarHBondContact O-CB 3.42Å; C196-I200 WeakPolarHBondContact O-CG1 3.25Å; C196-I200 PolarHBondContact O-N 3.31Å; C196-I200 WeakPolarHBondContact SG-CD1 3.08Å
197	G	95.7	Very high	95.2	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-70.1	-28.8	-176.9	0	0	0	0	0	113.6	E179 Q201 N241	E179-G197 PolarHBondContact OE2-N 3.04Å; E179-G197 VanDerWaalsContact OE2-N 3.13Å; G197-Q201 WeakPolarHBondContact O-CB 3.37Å; G197-Q201 PolarHBondContact O-N 3.1Å; G197-Q201 VanDerWaalsContact O-N 3.15Å; G197-N241 PolarHBondContact O-ND2 3.11Å; G197-N241 PolarHBondContact O-OD1 3.44Å
198	H	97.7	Very high	95.6	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.032	20%	0.196	C	C	.	.	H	α-helix	trans	-73.8	-44.4	176.6	-56.1	97.3	0	0	0	110.8	K7 A8 V9 N156 F176 E179 C196 Q201 V202	K7-H198 PolarHBondContact O-CE1 2.82Å; K7-H198 VanDerWaalsContact O-CE1 3.3Å; A8-H198 WeakPolarHBondContact CA-NE2 3.37Å; V9-H198 HydrophobicContact CG2-CB 4.39Å; V9-H198 WeakPolarHBondContact CG2-ND1 3.24Å; N156-H198 PolarHBondContact ND2-O 2.81Å; N156-H198 VanDerWaalsContact ND2-O 3.1Å; F176-H198 HydrophobicContact CB-CB 3.85Å; F176-H198 HydrophobicContact CD1-CB 3.79Å; F176-H198 AromaticContact CD1-CD2 3.66Å; F176-H198 AromaticContact CD1-CG 3.85Å; F176-H198 AromaticContact CE1-CD2 3.84Å; F176-H198 HydrophobicContact CG-CB 4.12Å; E179-H198 IonicContact OE1-CE1 3.6Å; E179-H198 IonicContact OE1-CG 3.33Å; E179-H198 IonicContact OE1-ND1 2.78Å; E179-H198 PolarHBondContact OE1-ND1 3.25Å; E179-H198 WeakPolarHBondContact OE2-CB 3.36Å; E179-H198 IonicContact OE2-CG 3.15Å; E179-H198 PolarHBondContact OE2-N 3.39Å; E179-H198 IonicContact OE2-ND1 3.58Å; E179-H198 PolarHBondContact OE2-ND1 3.46Å; E179-H198 VanDerWaalsContact OE2-ND1 3.14Å; C196-H198 PolarHBondContact O-N 2.93Å; H198-Q201 PolarHBondContact O-N 3.2Å; H198-V202 WeakPolarHBondContact O-CG2 3.24Å; H198-V202 PolarHBondContact O-N 3.19Å
199	Y	98.2	Very high	95.9	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-53.9	173.6	163.6	-102	0	0	0	110.9	E109 F176 H177 K180 Y183 C196 Q201 V202 V203	E109-Y199 PolarHBondContact OE1-OH 3.27Å; E109-Y199 PolarHBondContact OE2-OH 3.48Å; F176-Y199 PolarHBondContact O-N 2.91Å; H177-Y199 AromaticContact CD2-CD2 3.61Å; H177-Y199 AromaticContact CD2-CE2 3.74Å; H177-Y199 AromaticContact NE2-CE2 3.83Å; K180-Y199 HydrophobicContact CB-CD1 4.46Å; K180-Y199 HydrophobicContact CB-CD2 3.58Å; K180-Y199 HydrophobicContact CB-CE1 4.5Å; K180-Y199 HydrophobicContact CB-CE2 3.61Å; K180-Y199 HydrophobicContact CB-CG 4.02Å; K180-Y199 HydrophobicContact CD-CD2 4.4Å; K180-Y199 HydrophobicContact CD-CE2 3.62Å; K180-Y199 HydrophobicContact CG-CD2 4.1Å; K180-Y199 HydrophobicContact CG-CE1 4.31Å; K180-Y199 HydrophobicContact CG-CE2 3.57Å; Y183-Y199 HydrophobicContact CD1-CD1 4.25Å; Y183-Y199 AromaticContact CD1-CE1 3.53Å; Y183-Y199 HydrophobicContact CD1-CE1 3.53Å; Y183-Y199 HydrophobicContact CE1-CE1 4.23Å; Y183-Y199 HydrophobicContact CG-CD1 4.21Å; Y183-Y199 AromaticContact CG-CE1 3.94Å; Y183-Y199 HydrophobicContact CG-CE1 3.94Å; C196-Y199 PolarHBondContact O-N 3.17Å; Y199-Q201 PolarHBondContact O-N 3.39Å; Y199-Q201 VanDerWaalsContact O-N 3.16Å; Y199-V202 PolarHBondContact O-N 2.68Å; Y199-V203 HydrophobicContact CD1-CG2 4.4Å; Y199-V203 HydrophobicContact CD2-CG1 4.24Å; Y199-V203 HydrophobicContact CD2-CG2 4.26Å; Y199-V203 HydrophobicContact CE1-CG2 3.88Å; Y199-V203 HydrophobicContact CE2-CB 4.39Å; Y199-V203 HydrophobicContact CE2-CG1 3.7Å; Y199-V203 HydrophobicContact CE2-CG2 3.74Å; Y199-V203 WeakPolarHBondContact O-CG2 3.38Å; Y199-V203 PolarHBondContact O-N 2.69Å
200	I	97.9	Very high	96.2	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-54.6	-38	179.7	-71.3	169.5	0	0	0	111	Y183 C196 W204 N241 P247	Y183-I200 HydrophobicContact CD2-CD1 3.72Å; Y183-I200 HydrophobicContact CD2-CG1 4.02Å; Y183-I200 HydrophobicContact CE2-CD1 3.69Å; Y183-I200 HydrophobicContact CE2-CG1 4.04Å; Y183-I200 HydrophobicContact CG-CG1 4.43Å; C196-I200 HydrophobicContact CB-CD1 4.44Å; C196-I200 WeakPolarHBondContact O-CB 3.42Å; C196-I200 WeakPolarHBondContact O-CG1 3.25Å; C196-I200 PolarHBondContact O-N 3.31Å; C196-I200 WeakPolarHBondContact SG-CD1 3.08Å; I200-W204 HydrophobicContact CG2-CE3 3.58Å; I200-W204 HydrophobicContact CG2-CZ3 3.57Å; I200-W204 WeakPolarHBondContact O-CB 3.39Å; I200-W204 PolarHBondContact O-N 3.3Å; I200-W204 VanDerWaalsContact O-N 3.13Å; I200-N241 WeakPolarHBondContact CG2-OD1 3.38Å; I200-P247 HydrophobicContact CG2-CB 4.1Å; I200-P247 HydrophobicContact CG2-CG 4.41Å
201	Q	98.3	Very high	96.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-71.4	-42.6	174.8	179.6	58.4	93.3	0	0	113.1	G154 N156 G197 H198 Y199 V203 W204 T207 Y236 N241	G154-Q201 VanDerWaalsContact CA-OE1 3.26Å; N156-Q201 WeakPolarHBondContact OD1-CB 3.17Å; N156-Q201 WeakPolarHBondContact OD1-CG 3.42Å; G197-Q201 WeakPolarHBondContact O-CB 3.37Å; G197-Q201 PolarHBondContact O-N 3.1Å; G197-Q201 VanDerWaalsContact O-N 3.15Å; H198-Q201 PolarHBondContact O-N 3.2Å; Y199-Q201 PolarHBondContact O-N 3.39Å; Y199-Q201 VanDerWaalsContact O-N 3.16Å; Q201-V203 VanDerWaalsContact C-N 3.29Å; Q201-V203 PolarHBondContact O-N 3.28Å; Q201-W204 WeakPolarHBondContact O-CB 3.48Å; Q201-W204 PolarHBondContact O-N 2.84Å; Q201-T207 PolarHBondContact NE2-OG1 3.07Å; Q201-Y236 HydrophobicContact CG-CD1 4.27Å; Q201-Y236 HydrophobicContact CG-CD2 3.37Å; Q201-Y236 HydrophobicContact CG-CE1 4.41Å; Q201-Y236 HydrophobicContact CG-CE2 3.55Å; Q201-Y236 HydrophobicContact CG-CG 3.75Å; Q201-N241 PolarHBondContact N-OD1 3.26Å
202	V	98.6	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.5	-43	175.8	165.3	0	0	0	0	110.9	R106 I173 F176 H198 Y199	R106-V202 WeakPolarHBondContact CD-O 3.13Å; R106-V202 WeakPolarHBondContact CG-O 3.28Å; R106-V202 PolarHBondContact NH1-O 3.37Å; I173-V202 HydrophobicContact CG2-CG1 4.31Å; I173-V202 HydrophobicContact CG2-CG2 4.26Å; F176-V202 HydrophobicContact CB-CG2 3.86Å; H198-V202 WeakPolarHBondContact O-CG2 3.24Å; H198-V202 PolarHBondContact O-N 3.19Å; Y199-V202 PolarHBondContact O-N 2.68Å
203	V	98.4	Very high	96.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	19.1	179.9	-55.9	0	0	0	0	114.3	E109 M114 Y199 Q201 A205 P247 Y248	E109-V203 HydrophobicContact CG-CB 4.11Å; E109-V203 HydrophobicContact CG-CG1 3.8Å; M114-V203 HydrophobicContact CE-CB 4.18Å; M114-V203 WeakPolarHBondContact CE-O 3.36Å; Y199-V203 HydrophobicContact CD1-CG2 4.4Å; Y199-V203 HydrophobicContact CD2-CG1 4.24Å; Y199-V203 HydrophobicContact CD2-CG2 4.26Å; Y199-V203 HydrophobicContact CE1-CG2 3.88Å; Y199-V203 HydrophobicContact CE2-CB 4.39Å; Y199-V203 HydrophobicContact CE2-CG1 3.7Å; Y199-V203 HydrophobicContact CE2-CG2 3.74Å; Y199-V203 WeakPolarHBondContact O-CG2 3.38Å; Y199-V203 PolarHBondContact O-N 2.69Å; Q201-V203 VanDerWaalsContact C-N 3.29Å; Q201-V203 PolarHBondContact O-N 3.28Å; V203-A205 PolarHBondContact O-N 3.2Å; V203-A205 VanDerWaalsContact O-N 3.17Å; V203-P247 HydrophobicContact CG2-CB 4Å; V203-P247 HydrophobicContact CG2-CG 4.21Å; V203-Y248 HydrophobicContact CB-CD1 4.38Å; V203-Y248 HydrophobicContact CB-CE1 4.4Å; V203-Y248 HydrophobicContact CG2-CD1 4.18Å; V203-Y248 HydrophobicContact CG2-CE1 3.97Å
204	W	98.4	Very high	97.2	Very high	7 Å²	7	14.3 Å²	14.3	3%	0.027	7%	0.067	C	C	.	.			trans	-73.8	107.4	179.1	-161	-97.2	0	0	0	111.7	R106 I200 Q201 N206 T207 G240 V242 V245 P247	R106-W204 PolarHBondContact NH1-O 3.14Å; R106-W204 PolarHBondContact NH2-O 3.1Å; I200-W204 HydrophobicContact CG2-CE3 3.58Å; I200-W204 HydrophobicContact CG2-CZ3 3.57Å; I200-W204 WeakPolarHBondContact O-CB 3.39Å; I200-W204 PolarHBondContact O-N 3.3Å; I200-W204 VanDerWaalsContact O-N 3.13Å; Q201-W204 WeakPolarHBondContact O-CB 3.48Å; Q201-W204 PolarHBondContact O-N 2.84Å; W204-N206 VanDerWaalsContact C-N 3.29Å; W204-N206 PolarHBondContact O-N 2.99Å; W204-T207 WeakPolarHBondContact O-CB 3.28Å; W204-T207 PolarHBondContact O-N 2.75Å; W204-T207 VanDerWaalsContact O-N 3.1Å; W204-G240 VanDerWaalsContact CD1-CA 3.49Å; W204-G240 VanDerWaalsContact CE2-CA 3.45Å; W204-G240 VanDerWaalsContact CG-CA 3.43Å; W204-V242 HydrophobicContact CH2-CB 3.76Å; W204-V242 HydrophobicContact CH2-CG2 4.15Å; W204-V242 VanDerWaalsContact CH2-N 3.26Å; W204-V242 HydrophobicContact CZ2-CB 3.62Å; W204-V242 HydrophobicContact CZ2-CG2 3.57Å; W204-V245 HydrophobicContact CH2-CB 3.97Å; W204-V245 HydrophobicContact CH2-CG1 4.03Å; W204-V245 VanDerWaalsContact CH2-O 3.28Å; W204-V245 WeakPolarHBondContact CH2-O 3.36Å; W204-V245 HydrophobicContact CZ2-CB 4.31Å; W204-V245 HydrophobicContact CZ2-CG1 4.02Å; W204-P247 CarbonylContact C-O 3.44Å; W204-P247 VanDerWaalsContact CE3-CA 3.46Å; W204-P247 HydrophobicContact CE3-CB 3.81Å; W204-P247 HydrophobicContact CZ3-CB 4.25Å
205	A	98.1	Very high	97.3	Very high	3 Å²	3	7.5 Å²	7.5	3%	0.025	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30	-171.6	0	0	0	0	0	114.4	Y113 M114 Q115 V203 P247	Y113-A205 HydrophobicContact CD1-CB 3.84Å; Y113-A205 HydrophobicContact CE1-CB 4.31Å; Y113-A205 WeakPolarHBondContact CE1-O 3.42Å; Y113-A205 WeakPolarHBondContact O-CB 3.34Å; M114-A205 HydrophobicContact SD-CB 3.99Å; Q115-A205 PolarHBondContact N-O 2.98Å; Q115-A205 PolarHBondContact NE2-O 3.29Å; V203-A205 PolarHBondContact O-N 3.2Å; V203-A205 VanDerWaalsContact O-N 3.17Å; A205-P247 WeakPolarHBondContact CB-O 3.39Å; A205-P247 PolarHBondContact N-O 3.38Å
206	N	96.1	Very high	97.5	Very high	73 Å²	73	7.3 Å²	7.3	39%	0.39	4%	0.04	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-19	177.4	-84.9	-9	0	0	0	113.6	Y113 Q115 W204 P238	Y113-N206 WeakPolarHBondContact CE1-OD1 3.49Å; Q115-N206 VanDerWaalsContact NE2-C 3.34Å; Q115-N206 PolarHBondContact NE2-O 3.2Å; Q115-N206 VanDerWaalsContact NE2-O 3.07Å; W204-N206 VanDerWaalsContact C-N 3.29Å; W204-N206 PolarHBondContact O-N 2.99Å; N206-P238 WeakPolarHBondContact O-CD 2.95Å; N206-P238 VanDerWaalsContact O-CG 3.31Å; N206-P238 WeakPolarHBondContact O-CG 3.27Å
207	T	98.1	Very high	97.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.			trans	-68.6	134	168.8	-60.6	0	0	0	0	108.5	R106 L117 Q201 W204 A209 Y236 P238	R106-T207 PolarHBondContact NH2-O 2.79Å; L117-T207 HydrophobicContact CD2-CG2 3.82Å; L117-T207 VanDerWaalsContact CD2-O 3.29Å; L117-T207 WeakPolarHBondContact CD2-O 3.34Å; Q201-T207 PolarHBondContact NE2-OG1 3.07Å; W204-T207 WeakPolarHBondContact O-CB 3.28Å; W204-T207 PolarHBondContact O-N 2.75Å; W204-T207 VanDerWaalsContact O-N 3.1Å; T207-A209 WeakPolarHBondContact CG2-O 3.32Å; T207-Y236 HydrophobicContact CG2-CD1 4.05Å; T207-Y236 HydrophobicContact CG2-CG 4.39Å; T207-P238 WeakPolarHBondContact CB-O 3.19Å; T207-P238 PolarHBondContact OG1-O 2.73Å
208	C	97.3	Very high	97.4	Very high	5 Å²	5	7.9 Å²	7.9	3%	0.034	4%	0.042	C	C	.	.			trans	-129.4	-6.1	-178.9	57.6	0	0	0	0	114.5	Q115 I118 G237 S268 C270	Q115-C208 HydrophobicContact CB-CB 4.27Å; Q115-C208 VanDerWaalsContact OE1-CB 3.31Å; I118-C208 PolarHBondContact N-O 3.02Å; I118-C208 VanDerWaalsContact N-O 3.13Å; C208-G237 PolarHBondContact N-O 2.89Å; C208-S268 WeakPolarHBondContact CB-OG 3.42Å; C208-S268 PolarHBondContact O-OG 3.44Å; C208-C270 HydrophobicContact CB-CB 3.83Å; C208-C270 WeakPolarHBondContact CB-SG 3.26Å; C208-C270 WeakPolarHBondContact SG-CB 3.36Å; C208-C270 PolarHBondContact SG-N 2.95Å; C208-C270 CovalentContact SG-SG 2.04Å; C208-C270 PolarHBondContact SG-SG 3.15Å
209	A	97.7	Very high	97.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.1	175.2	0	0	0	0	0	112.1	I118 D120 L123 Y150 T207 G237 C270	I118-A209 HydrophobicContact CG1-CB 4.31Å; I118-A209 CarbonylContact O-C 3.5Å; I118-A209 VanDerWaalsContact O-CA 3.24Å; I118-A209 WeakPolarHBondContact O-CA 3.41Å; D120-A209 HydrophobicContact CB-CB 3.95Å; L123-A209 HydrophobicContact CD1-CB 4.11Å; Y150-A209 HydrophobicContact CE2-CB 4.49Å; Y150-A209 WeakPolarHBondContact OH-CB 3.47Å; T207-A209 WeakPolarHBondContact CG2-O 3.32Å; A209-G237 PolarHBondContact N-O 3.09Å; A209-G237 PolarHBondContact O-N 3.46Å; A209-C270 HydrophobicContact CB-CB 4Å; A209-C270 VanDerWaalsContact CB-SG 3.54Å; A209-C270 PolarHBondContact N-SG 3.02Å; A209-C270 VanDerWaalsContact N-SG 3.44Å
210	V	98.5	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148	172.3	63.8	0	0	0	0	110	L99 L117 I118 W119 D120 C234 N235 Y236	L99-V210 HydrophobicContact CD2-CG1 3.76Å; L117-V210 HydrophobicContact CB-CG1 4.26Å; L117-V210 HydrophobicContact CD1-CB 4.21Å; L117-V210 HydrophobicContact CD1-CG1 4.17Å; I118-V210 PolarHBondContact O-N 3.39Å; W119-V210 CarbonylContact C-O 3.53Å; W119-V210 WeakPolarHBondContact CA-O 3.4Å; D120-V210 PolarHBondContact N-O 3.17Å; V210-C234 HydrophobicContact CG2-CB 4.45Å; V210-N235 WeakPolarHBondContact CA-O 3.47Å; V210-Y236 HydrophobicContact CB-CD1 4.04Å; V210-Y236 HydrophobicContact CB-CE1 4.18Å; V210-Y236 HydrophobicContact CG2-CD1 3.74Å; V210-Y236 HydrophobicContact CG2-CE1 3.53Å
211	G	98	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	135.9	167.6	0	0	0	0	0	109.7	N235	G211-N235 PolarHBondContact N-O 3.2Å; G211-N235 PolarHBondContact O-N 3.32Å
212	C	98.2	Very high	96.5	Very high	2 Å²	2	28 Å²	28	1%	0.014	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.9	-174.3	-51.8	0	0	0	0	111.7	F90 W119 V233 C234	F90-C212 HydrophobicContact CD2-CB 4.23Å; F90-C212 HydrophobicContact CE2-CB 3.65Å; F90-C212 HydrophobicContact CZ-CB 4.2Å; W119-C212 HydrophobicContact CH2-CB 3.9Å; W119-C212 WeakPolarHBondContact CH2-O 3.44Å; W119-C212 HydrophobicContact CZ3-CB 4.16Å; C212-V233 CarbonylContact C-O 3.53Å; C212-V233 WeakPolarHBondContact CA-O 3.27Å; C212-V233 WeakPolarHBondContact CB-O 3.27Å; C212-C234 HydrophobicContact CB-CB 4.09Å; C212-C234 WeakPolarHBondContact CB-SG 3.04Å; C212-C234 VanDerWaalsContact SG-CA 3.55Å; C212-C234 WeakPolarHBondContact SG-CB 3.42Å; C212-C234 CovalentContact SG-SG 2.04Å; C212-C234 PolarHBondContact SG-SG 2.96Å
213	A	97.6	Very high	96.2	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165.5	171.6	0	0	0	0	0	110.3	A127 K128 V233	A127-A213 HydrophobicContact CB-CB 4.15Å; K128-A213 HydrophobicContact CB-CB 3.65Å; K128-A213 HydrophobicContact CG-CB 4.21Å; A213-V233 PolarHBondContact N-O 3.28Å; A213-V233 PolarHBondContact O-N 3.22Å
214	A	97.4	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	161.5	176.7	0	0	0	0	0	112.8	Y88 F90 L165 M231 I232	Y88-A214 HydrophobicContact CD2-CB 4.16Å; Y88-A214 PolarHBondContact N-O 2.94Å; Y88-A214 PolarHBondContact O-N 3.09Å; F90-A214 HydrophobicContact CE1-CB 3.79Å; F90-A214 HydrophobicContact CZ-CB 4.41Å; L165-A214 HydrophobicContact CD1-CB 3.78Å; L165-A214 HydrophobicContact CD2-CB 3.88Å; A214-M231 CarbonylContact C-O 3.53Å; A214-M231 VanDerWaalsContact CA-O 3.29Å; A214-M231 WeakPolarHBondContact CA-O 3.17Å; A214-I232 HydrophobicContact CB-CG1 3.89Å
215	A	96.3	Very high	95.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.8	169.7	0	0	0	0	0	110.4	T85 R86 L87 A131 M231	T85-A215 HydrophobicContact CG2-CB 3.87Å; R86-A215 CarbonylContact O-C 3.54Å; R86-A215 VanDerWaalsContact O-CA 3.25Å; R86-A215 WeakPolarHBondContact O-CA 3.26Å; L87-A215 HydrophobicContact CD2-CB 3.82Å; A131-A215 HydrophobicContact CB-CB 3.86Å; A131-A215 WeakPolarHBondContact O-CB 3.44Å; A215-M231 PolarHBondContact N-O 3.17Å; A215-M231 PolarHBondContact O-N 2.04Å
216	F	95.7	Very high	95	Very high	34 Å²	34	37.9 Å²	37.9	15%	0.149	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.3	159.2	177.4	-85.5	0	0	0	108.3	T85 R86 Y88 P218	T85-F216 WeakPolarHBondContact CA-O 3.27Å; R86-F216 HydrophobicContact CB-CB 4.31Å; R86-F216 PolarHBondContact N-O 3.04Å; R86-F216 VanDerWaalsContact NH2-CD1 3.26Å; R86-F216 VanDerWaalsContact NH2-CE1 3.34Å; R86-F216 PolarHBondContact O-N 3.4Å; Y88-F216 HydrophobicContact CE2-CB 3.85Å; F216-P218 HydrophobicContact CD1-CG 4.41Å; F216-P218 HydrophobicContact CE1-CG 4.17Å
217	C	95.3	Very high	94.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	107.7	-170.6	-75.5	0	0	0	0	110.8	C134 Y219 I220 T228 G229	C134-C217 WeakPolarHBondContact CA-SG 3.39Å; C134-C217 HydrophobicContact CB-CB 3.61Å; C134-C217 WeakPolarHBondContact CB-SG 3.44Å; C134-C217 VanDerWaalsContact SG-CA 3.5Å; C134-C217 WeakPolarHBondContact SG-CB 3.16Å; C134-C217 CovalentContact SG-SG 2.03Å; C134-C217 PolarHBondContact SG-SG 3.05Å; C217-Y219 PolarHBondContact O-N 3.08Å; C217-I220 HydrophobicContact CB-CD1 4.1Å; C217-I220 HydrophobicContact CB-CG1 3.43Å; C217-I220 VanDerWaalsContact CB-CG1 3.43Å; C217-T228 WeakPolarHBondContact O-CA 3.29Å; C217-T228 PolarHBondContact O-OG1 2.97Å; C217-G229 PolarHBondContact N-O 3.02Å; C217-G229 PolarHBondContact O-N 3.15Å; C217-G229 VanDerWaalsContact O-N 3.16Å
218	P	92.9	Very high	94.6	Very high	24 Å²	24	46.7 Å²	46.7	16%	0.156	22%	0.215	C	C	.	.	S	Bend	trans	-58.2	-32.4	173.7	-28.4	38.2	0	0	0	113.1	M83 A84 F216 T228	M83-P218 HydrophobicContact SD-CB 4.39Å; A84-P218 WeakPolarHBondContact O-CG 3.49Å; F216-P218 HydrophobicContact CD1-CG 4.41Å; F216-P218 HydrophobicContact CE1-CG 4.17Å; P218-T228 WeakPolarHBondContact O-CB 3.28Å; P218-T228 PolarHBondContact O-OG1 3.24Å
219	Y	93.3	Very high	94.4	Very high	150 Å²	150	46.7 Å²	46.7	59%	0.588	22%	0.215	S	C	*	.	S	Bend	trans	-133.7	111.9	171.4	-174.9	-103	0	0	0	111.9	C134 C217 R221 R227	C134-Y219 WeakPolarHBondContact CB-O 3.4Å; C217-Y219 PolarHBondContact O-N 3.08Å; Y219-R221 HydrophobicContact CE1-CB 4.4Å; Y219-R221 HydrophobicContact CE1-CG 4.32Å; Y219-R227 CarbonylContact C-O 3.6Å; Y219-R227 VanDerWaalsContact CA-O 3.22Å; Y219-R227 WeakPolarHBondContact CA-O 3.33Å
220	I	94.8	Very high	94.3	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	22%	0.216	C	C	.	.			trans	-92.7	107.9	175.9	-59.5	177.6	0	0	0	110	C134 A136 W159 C217 R222 G223 I226 R227	C134-I220 CarbonylContact O-C 3.57Å; C134-I220 WeakPolarHBondContact O-CA 3.43Å; A136-I220 HydrophobicContact CB-CG2 4.06Å; W159-I220 HydrophobicContact CB-CD1 4.26Å; W159-I220 HydrophobicContact CG-CD1 4.39Å; W159-I220 HydrophobicContact CG-CG2 4.49Å; C217-I220 HydrophobicContact CB-CD1 4.1Å; C217-I220 HydrophobicContact CB-CG1 3.43Å; C217-I220 VanDerWaalsContact CB-CG1 3.43Å; I220-R222 PolarHBondContact O-N 3.07Å; I220-G223 PolarHBondContact O-N 3.45Å; I220-I226 HydrophobicContact CD1-CG2 4.22Å; I220-R227 PolarHBondContact N-O 3.48Å
221	R	93.8	Very high	94.2	Very high	123 Å²	123	46.7 Å²	46.7	46%	0.464	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-69	130.3	177.6	-150.4	-175.8	81.1	144.6	3.5	110.4	C134 S135 A136 E137 Y219 G223	C134-R221 PolarHBondContact O-N 3.39Å; S135-R221 PolarHBondContact OG-NE 2.95Å; A136-R221 PolarHBondContact N-O 2.04Å; E137-R221 IonicContact OE2-CZ 3.37Å; E137-R221 IonicContact OE2-NE 2.77Å; E137-R221 IonicContact OE2-NH2 3.76Å; E137-R221 PolarHBondContact OE2-NH2 3.44Å; Y219-R221 HydrophobicContact CE1-CB 4.4Å; Y219-R221 HydrophobicContact CE1-CG 4.32Å; R221-G223 PolarHBondContact O-N 2.84Å
222	R	92.4	Very high	94.1	Very high	162 Å²	162	46.8 Å²	46.8	61%	0.611	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	15.7	-175.2	-52.4	-157.2	-172.7	157.2	14.4	116	E137 I220 R224	E137-R222 VanDerWaalsContact CD-NH1 3.28Å; E137-R222 HydrophobicContact CG-CB 4.35Å; E137-R222 HydrophobicContact CG-CG 4.35Å; E137-R222 IonicContact OE1-CZ 2.62Å; E137-R222 IonicContact OE1-NE 3.44Å; E137-R222 IonicContact OE1-NH1 3.6Å; E137-R222 PolarHBondContact OE1-NH1 2.96Å; E137-R222 IonicContact OE1-NH2 3.76Å; E137-R222 WeakPolarHBondContact OE2-CD 3.47Å; E137-R222 IonicContact OE2-CZ 3.52Å; E137-R222 VanDerWaalsContact OE2-CZ 3.24Å; E137-R222 IonicContact OE2-NE 2.71Å; E137-R222 PolarHBondContact OE2-NE 3.09Å; E137-R222 IonicContact OE2-NH1 2.73Å; E137-R222 IonicContact OE2-NH2 2.64Å; I220-R222 PolarHBondContact O-N 3.07Å; R222-R224 PolarHBondContact O-N 2.84Å
223	G	91	Very high	94.1	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.031	22%	0.216	C	C	.	.			trans	-66.1	24.2	-177.6	0	0	0	0	0	118	W159 I220 R221 G225 I226	W159-G223 PolarHBondContact NE1-O 2.82Å; I220-G223 PolarHBondContact O-N 3.45Å; R221-G223 PolarHBondContact O-N 2.84Å; G223-G225 PolarHBondContact O-N 2.96Å; G223-I226 CarbonylContact C-O 3.52Å; G223-I226 WeakPolarHBondContact CA-O 3.34Å; G223-I226 WeakPolarHBondContact O-CA 3.45Å; G223-I226 VanDerWaalsContact O-CB 3.3Å; G223-I226 WeakPolarHBondContact O-CB 3.14Å; G223-I226 PolarHBondContact O-N 2.84Å
224	R	89	Confident	94.1	Very high	126 Å²	126	46.7 Å²	46.7	48%	0.475	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	41.6	171.4	-58.6	-172.4	155	-179.1	-10	115.7	K7 W159 R222 I226	K7-R224 VanDerWaalsContact CB-NH1 3.29Å; K7-R224 VanDerWaalsContact CD-NH2 3.25Å; W159-R224 HydrophobicContact CH2-CG 4.31Å; W159-R224 HydrophobicContact CZ2-CB 4.04Å; W159-R224 HydrophobicContact CZ2-CG 3.83Å; R222-R224 PolarHBondContact O-N 2.84Å; R224-I226 VanDerWaalsContact C-N 3.3Å; R224-I226 PolarHBondContact O-N 3.1Å
225	G	90.1	Very high	94.2	Very high	72 Å²	72	46.7 Å²	46.7	74%	0.742	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.8	-29	-177.1	0	0	0	0	0	113	G223 R227	G223-G225 PolarHBondContact O-N 2.96Å; G225-R227 PolarHBondContact O-N 3.33Å
226	I	91.9	Very high	94.3	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.082	22%	0.215	C	C	.	.			trans	-68.5	104.6	164.8	-59.2	166.4	0	0	0	107.3	F10 A11 N161 I220 G223 R224 T228	F10-I226 HydrophobicContact CB-CD1 4.18Å; F10-I226 HydrophobicContact CD2-CD1 3.93Å; F10-I226 HydrophobicContact CG-CD1 4.43Å; A11-I226 WeakPolarHBondContact O-CD1 3.5Å; N161-I226 HydrophobicContact CB-CG1 4.34Å; N161-I226 HydrophobicContact CB-CG2 3.97Å; I220-I226 HydrophobicContact CD1-CG2 4.22Å; G223-I226 CarbonylContact C-O 3.52Å; G223-I226 WeakPolarHBondContact CA-O 3.34Å; G223-I226 WeakPolarHBondContact O-CA 3.45Å; G223-I226 VanDerWaalsContact O-CB 3.3Å; G223-I226 WeakPolarHBondContact O-CB 3.14Å; G223-I226 PolarHBondContact O-N 2.84Å; R224-I226 VanDerWaalsContact C-N 3.3Å; R224-I226 PolarHBondContact O-N 3.1Å; I226-T228 WeakPolarHBondContact CG2-O 3.29Å
227	R	91.2	Very high	94.3	Very high	190 Å²	190	45 Å²	45	72%	0.717	21%	0.208	S	C	*	.			trans	-90.5	-19.9	178.5	-70.8	-174.5	177.5	-170.3	-0	113.3	Y219 I220 G225	Y219-R227 CarbonylContact C-O 3.6Å; Y219-R227 VanDerWaalsContact CA-O 3.22Å; Y219-R227 WeakPolarHBondContact CA-O 3.33Å; I220-R227 PolarHBondContact N-O 3.48Å; G225-R227 PolarHBondContact O-N 3.33Å
228	T	93.5	Very high	94.2	Very high	68 Å²	68	46.6 Å²	46.6	42%	0.417	22%	0.218	S	C	.	.	S	Bend	trans	-149.5	152.5	-177.3	-168.4	0	0	0	0	110	C217 P218 I226	C217-T228 WeakPolarHBondContact O-CA 3.29Å; C217-T228 PolarHBondContact O-OG1 2.97Å; P218-T228 WeakPolarHBondContact O-CB 3.28Å; P218-T228 PolarHBondContact O-OG1 3.24Å; I226-T228 WeakPolarHBondContact CG2-O 3.29Å
229	G	94.5	Very high	94.3	Very high	4 Å²	4	46 Å²	46	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.8	-154.1	178.9	0	0	0	0	0	112.9	S160 C217	S160-G229 CarbonylContact O-C 3.59Å; S160-G229 VanDerWaalsContact O-CA 3.31Å; S160-G229 WeakPolarHBondContact O-CA 3.19Å; C217-G229 PolarHBondContact N-O 3.02Å; C217-G229 PolarHBondContact O-N 3.15Å; C217-G229 VanDerWaalsContact O-N 3.16Å
230	N	95.4	Very high	94.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.7	-174.6	-63.5	-72.2	0	0	0	111.1	W158 W159 S160 E162 Y164 L165	W158-N230 HydrophobicContact CZ3-CB 4.46Å; W159-N230 CarbonylContact C-O 3.49Å; W159-N230 WeakPolarHBondContact CA-O 3.45Å; W159-N230 VanDerWaalsContact CB-O 3.23Å; W159-N230 WeakPolarHBondContact CB-O 3.44Å; S160-N230 PolarHBondContact N-O 3.18Å; S160-N230 PolarHBondContact O-N 3.37Å; E162-N230 PolarHBondContact O-ND2 3.19Å; Y164-N230 VanDerWaalsContact C-ND2 3.29Å; Y164-N230 PolarHBondContact O-ND2 2.9Å; L165-N230 HydrophobicContact CD1-CB 4.26Å; L165-N230 PolarHBondContact N-ND2 3.4Å
231	M	95.3	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.9	170.8	-168.7	173.7	84.4	0	0	109.5	A131 I157 W158 W159 A214 A215 V233	A131-M231 WeakPolarHBondContact O-CE 3.47Å; I157-M231 HydrophobicContact CG2-CG 4.24Å; I157-M231 HydrophobicContact CG2-SD 4.48Å; W158-M231 CarbonylContact O-C 3.46Å; W158-M231 WeakPolarHBondContact O-CA 3.43Å; W159-M231 HydrophobicContact CB-CB 4.18Å; W159-M231 HydrophobicContact CB-CG 4.14Å; A214-M231 CarbonylContact C-O 3.53Å; A214-M231 VanDerWaalsContact CA-O 3.29Å; A214-M231 WeakPolarHBondContact CA-O 3.17Å; A215-M231 PolarHBondContact N-O 3.17Å; A215-M231 PolarHBondContact O-N 2.04Å; M231-V233 HydrophobicContact CE-CG2 4.4Å
232	I	97.2	Very high	93.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.8	-176.3	-54.3	177.6	0	0	0	108	F90 I157 W158 L165 M169 V172 A214	F90-I232 HydrophobicContact CZ-CG2 4.12Å; I157-I232 WeakPolarHBondContact CA-O 3Å; W158-I232 HydrophobicContact CB-CB 4.46Å; W158-I232 HydrophobicContact CD2-CD1 4.37Å; W158-I232 HydrophobicContact CE3-CB 4.19Å; W158-I232 HydrophobicContact CE3-CD1 3.52Å; W158-I232 HydrophobicContact CE3-CG1 3.74Å; W158-I232 HydrophobicContact CZ3-CD1 3.6Å; W158-I232 HydrophobicContact CZ3-CG1 4.05Å; W158-I232 PolarHBondContact N-O 2.94Å; W158-I232 PolarHBondContact O-N 2.77Å; L165-I232 HydrophobicContact CD1-CD1 3.68Å; L165-I232 HydrophobicContact CD1-CG1 3.97Å; M169-I232 HydrophobicContact CE-CD1 3.9Å; M169-I232 HydrophobicContact SD-CD1 4.09Å; V172-I232 HydrophobicContact CB-CD1 4.47Å; V172-I232 HydrophobicContact CG1-CD1 4.17Å; V172-I232 HydrophobicContact CG1-CG2 4.33Å; V172-I232 HydrophobicContact CG2-CD1 3.57Å; A214-I232 HydrophobicContact CB-CG1 3.89Å
233	V	97.5	Very high	93.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.4	177.7	-176	0	0	0	0	108	A127 W130 A131 E155 I157 C212 A213 M231	A127-V233 HydrophobicContact CB-CB 4.05Å; A127-V233 HydrophobicContact CB-CG1 3.98Å; A127-V233 WeakPolarHBondContact CB-O 3.25Å; W130-V233 HydrophobicContact CB-CG1 4.4Å; W130-V233 HydrophobicContact CB-CG2 4.37Å; A131-V233 HydrophobicContact CB-CG2 4.08Å; E155-V233 HydrophobicContact CG-CG1 4.29Å; I157-V233 HydrophobicContact CG1-CG1 4.31Å; I157-V233 HydrophobicContact CG1-CG2 4.27Å; C212-V233 CarbonylContact C-O 3.53Å; C212-V233 WeakPolarHBondContact CA-O 3.27Å; C212-V233 WeakPolarHBondContact CB-O 3.27Å; A213-V233 PolarHBondContact N-O 3.28Å; A213-V233 PolarHBondContact O-N 3.22Å; M231-V233 HydrophobicContact CE-CG2 4.4Å
234	C	98.4	Very high	92.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.8	170	-76.7	0	0	0	0	109.1	E155 N156 F176 V210 C212 Y236	E155-C234 CarbonylContact C-O 3.55Å; E155-C234 WeakPolarHBondContact CA-O 3.05Å; N156-C234 PolarHBondContact N-O 3.41Å; N156-C234 PolarHBondContact O-N 2.77Å; F176-C234 HydrophobicContact CE2-CB 4.46Å; V210-C234 HydrophobicContact CG2-CB 4.45Å; C212-C234 HydrophobicContact CB-CB 4.09Å; C212-C234 WeakPolarHBondContact CB-SG 3.04Å; C212-C234 VanDerWaalsContact SG-CA 3.55Å; C212-C234 WeakPolarHBondContact SG-CB 3.42Å; C212-C234 CovalentContact SG-SG 2.04Å; C212-C234 PolarHBondContact SG-SG 2.96Å; C234-Y236 HydrophobicContact CB-CE2 3.96Å; C234-Y236 VanDerWaalsContact O-CE2 3.29Å; C234-Y236 WeakPolarHBondContact O-CE2 3.43Å
235	N	98.2	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	146.3	174.7	-73.4	120.5	0	0	0	111.6	L123 A127 R139 I153 G154 E155 V210 G211	L123-N235 HydrophobicContact CB-CB 4.3Å; L123-N235 HydrophobicContact CD2-CB 4.25Å; A127-N235 VanDerWaalsContact CA-OD1 3.26Å; A127-N235 WeakPolarHBondContact CA-OD1 3.11Å; A127-N235 PolarHBondContact N-OD1 3.03Å; R139-N235 PolarHBondContact NH2-ND2 3.21Å; R139-N235 PolarHBondContact NH2-OD1 2.84Å; I153-N235 HydrophobicContact CD1-CB 4.1Å; G154-N235 VanDerWaalsContact O-CA 3.3Å; G154-N235 WeakPolarHBondContact O-CA 3.47Å; G154-N235 PolarHBondContact O-ND2 3.01Å; E155-N235 PolarHBondContact OE2-ND2 3.26Å; E155-N235 VanDerWaalsContact OE2-ND2 3.14Å; V210-N235 WeakPolarHBondContact CA-O 3.47Å; G211-N235 PolarHBondContact N-O 3.2Å; G211-N235 PolarHBondContact O-N 3.32Å
236	Y	98.4	Very high	93.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.2	-167.5	-63.1	-86.4	0	0	0	112	H102 I153 G154 N156 Q201 T207 V210 C234 P238 G239	H102-Y236 AromaticContact NE2-CE1 3.4Å; H102-Y236 WeakPolarHBondContact NE2-CE1 3.35Å; H102-Y236 AromaticContact NE2-CZ 3.73Å; H102-Y236 PolarHBondContact NE2-OH 3.47Å; H102-Y236 VanDerWaalsContact NE2-OH 3.17Å; I153-Y236 CarbonylContact C-O 3.56Å; I153-Y236 VanDerWaalsContact CA-O 3.29Å; I153-Y236 WeakPolarHBondContact CA-O 3.41Å; I153-Y236 WeakPolarHBondContact CB-O 3.44Å; G154-Y236 PolarHBondContact N-O 2.69Å; G154-Y236 PolarHBondContact O-N 3.1Å; G154-Y236 VanDerWaalsContact O-N 3.07Å; N156-Y236 HydrophobicContact CB-CE2 3.82Å; N156-Y236 PolarHBondContact ND2-OH 3.19Å; Q201-Y236 HydrophobicContact CG-CD1 4.27Å; Q201-Y236 HydrophobicContact CG-CD2 3.37Å; Q201-Y236 HydrophobicContact CG-CE1 4.41Å; Q201-Y236 HydrophobicContact CG-CE2 3.55Å; Q201-Y236 HydrophobicContact CG-CG 3.75Å; T207-Y236 HydrophobicContact CG2-CD1 4.05Å; T207-Y236 HydrophobicContact CG2-CG 4.39Å; V210-Y236 HydrophobicContact CB-CD1 4.04Å; V210-Y236 HydrophobicContact CB-CE1 4.18Å; V210-Y236 HydrophobicContact CG2-CD1 3.74Å; V210-Y236 HydrophobicContact CG2-CE1 3.53Å; C234-Y236 HydrophobicContact CB-CE2 3.96Å; C234-Y236 VanDerWaalsContact O-CE2 3.29Å; C234-Y236 WeakPolarHBondContact O-CE2 3.43Å; Y236-P238 CarbonylContact O-C 3.57Å; Y236-G239 PolarHBondContact O-N 2.84Å
237	G	95.6	Very high	93.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.7	-175.1	0	0	0	0	0	113.4	Y150 C208 A209	Y150-G237 VanDerWaalsContact CD2-CA 3.49Å; C208-G237 PolarHBondContact N-O 2.89Å; A209-G237 PolarHBondContact N-O 3.09Å; A209-G237 PolarHBondContact O-N 3.46Å
238	P	94.4	Very high	93.6	Very high	32 Å²	32	23.3 Å²	23.3	21%	0.208	14%	0.142	C	C	.	.	S	Bend	cis	-60.4	165.5	-25.4	30.8	-38	0	0	0	112.3	N206 T207 Y236	N206-P238 WeakPolarHBondContact O-CD 2.95Å; N206-P238 VanDerWaalsContact O-CG 3.31Å; N206-P238 WeakPolarHBondContact O-CG 3.27Å; T207-P238 WeakPolarHBondContact CB-O 3.19Å; T207-P238 PolarHBondContact OG1-O 2.73Å; Y236-P238 CarbonylContact O-C 3.57Å
239	G	94.5	Very high	93.6	Very high	13 Å²	13	22.8 Å²	22.8	13%	0.134	14%	0.141	C	C	.	.			trans	-66.7	150.8	175.6	0	0	0	0	0	114.7	V152 Y236	V152-G239 PolarHBondContact O-N 3.11Å; Y236-G239 PolarHBondContact O-N 2.84Å
240	G	93.7	Very high	93.7	Very high	16 Å²	16	29.7 Å²	29.7	17%	0.165	17%	0.166	C	C	.	.			trans	-99.4	-147.7	173.4	0	0	0	0	0	113.5	W204 V242	W204-G240 VanDerWaalsContact CD1-CA 3.49Å; W204-G240 VanDerWaalsContact CE2-CA 3.45Å; W204-G240 VanDerWaalsContact CG-CA 3.43Å; G240-V242 PolarHBondContact O-N 3.46Å; G240-V242 VanDerWaalsContact O-N 3.15Å
241	N	92.4	Very high	93.7	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.134	18%	0.176	C	C	.	.			trans	53.1	32.8	179.9	-61.8	-2.9	0	0	0	113.5	E6 G197 I200 Q201 I243	E6-N241 PolarHBondContact OE1-ND2 2.03Å; G197-N241 PolarHBondContact O-ND2 3.11Å; G197-N241 PolarHBondContact O-OD1 3.44Å; I200-N241 WeakPolarHBondContact CG2-OD1 3.38Å; Q201-N241 PolarHBondContact N-OD1 3.26Å; N241-I243 PolarHBondContact O-N 2.71Å
242	V	87.5	Confident	93.7	Very high	33 Å²	33	40.9 Å²	40.9	20%	0.2	22%	0.215	C	C	.	.			trans	-72.1	124	-177.3	-178.1	0	0	0	0	110.1	W204 G240 G244 V245 N462	W204-V242 HydrophobicContact CH2-CB 3.76Å; W204-V242 HydrophobicContact CH2-CG2 4.15Å; W204-V242 VanDerWaalsContact CH2-N 3.26Å; W204-V242 HydrophobicContact CZ2-CB 3.62Å; W204-V242 HydrophobicContact CZ2-CG2 3.57Å; G240-V242 PolarHBondContact O-N 3.46Å; G240-V242 VanDerWaalsContact O-N 3.15Å; V242-G244 PolarHBondContact O-N 3.48Å; V242-V245 HydrophobicContact CB-CB 4.11Å; V242-V245 HydrophobicContact CB-CG2 4.22Å; V242-V245 HydrophobicContact CG1-CB 4.25Å; V242-V245 HydrophobicContact CG1-CG2 3.79Å; V242-V245 WeakPolarHBondContact O-CB 3.45Å; V242-V245 PolarHBondContact O-N 3.48Å; V242-N462 HydrophobicContact CG1-CB 4.19Å; V242-N462 VanDerWaalsContact CG1-ND2 3.29Å; V242-N462 WeakPolarHBondContact CG1-ND2 3.39Å; V242-N462 VanDerWaalsContact CG1-OD1 3.26Å; V242-N462 WeakPolarHBondContact CG1-OD1 3.42Å
243	I	79.6	Confident	93.7	Very high	109 Å²	109	43.9 Å²	43.9	56%	0.559	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	118.1	-169.4	-60.6	174.4	0	0	0	111.5	N241	N241-I243 PolarHBondContact O-N 2.71Å
244	G	83	Confident	93.7	Very high	51 Å²	51	44.1 Å²	44.1	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	10.2	179.2	0	0	0	0	0	114.8	V242	V242-G244 PolarHBondContact O-N 3.48Å
245	V	89.5	Confident	93.6	Very high	24 Å²	24	47.3 Å²	47.3	15%	0.145	26%	0.259	C	S	.	.			trans	-114.6	129.8	179.1	-177.8	0	0	0	0	109.5	H188 W204 V242 N462 I464	H188-V245 PolarHBondContact CE1-O 3.48Å; H188-V245 PolarHBondContact NE2-O 3.17Å; W204-V245 HydrophobicContact CH2-CB 3.97Å; W204-V245 HydrophobicContact CH2-CG1 4.03Å; W204-V245 VanDerWaalsContact CH2-O 3.28Å; W204-V245 WeakPolarHBondContact CH2-O 3.36Å; W204-V245 HydrophobicContact CZ2-CB 4.31Å; W204-V245 HydrophobicContact CZ2-CG1 4.02Å; V242-V245 HydrophobicContact CB-CB 4.11Å; V242-V245 HydrophobicContact CB-CG2 4.22Å; V242-V245 HydrophobicContact CG1-CB 4.25Å; V242-V245 HydrophobicContact CG1-CG2 3.79Å; V242-V245 WeakPolarHBondContact O-CB 3.45Å; V242-V245 PolarHBondContact O-N 3.48Å; V245-N462 WeakPolarHBondContact CG2-OD1 3.31Å; V245-I464 HydrophobicContact CG2-CB 4.23Å; V245-I464 HydrophobicContact CG2-CD1 4.46Å
246	R	93.3	Very high	93.5	Very high	94 Å²	94	51.1 Å²	51.1	36%	0.355	28%	0.282	S	S	.	.			trans	-71	148.2	176.6	-65.8	-168.9	177.3	92.6	12.3	110.7	Y185 P187 H188 Y248	Y185-R246 HydrophobicContact CE2-CB 4.09Å; Y185-R246 HydrophobicContact CE2-CG 4.48Å; Y185-R246 WeakPolarHBondContact O-CD 3.39Å; Y185-R246 PolarHBondContact O-NE 3.22Å; P187-R246 PolarHBondContact O-NH2 3.13Å; H188-R246 HydrophobicContact CB-CG 3.92Å; R246-Y248 PolarHBondContact O-N 2.97Å
247	P	96.4	Very high	93.4	Very high	3 Å²	3	52 Å²	52	2%	0.019	29%	0.288	C	S	.	.	S	Bend	trans	-60.1	-33.4	-176.6	20.8	-31.2	0	0	0	113.9	Y183 I200 V203 W204 A205	Y183-P247 HydrophobicContact CE1-CG 4.31Å; Y183-P247 VanDerWaalsContact OH-CD 3.23Å; Y183-P247 WeakPolarHBondContact OH-CD 3.45Å; I200-P247 HydrophobicContact CG2-CB 4.1Å; I200-P247 HydrophobicContact CG2-CG 4.41Å; V203-P247 HydrophobicContact CG2-CB 4Å; V203-P247 HydrophobicContact CG2-CG 4.21Å; W204-P247 CarbonylContact C-O 3.44Å; W204-P247 VanDerWaalsContact CE3-CA 3.46Å; W204-P247 HydrophobicContact CE3-CB 3.81Å; W204-P247 HydrophobicContact CZ3-CB 4.25Å; A205-P247 WeakPolarHBondContact CB-O 3.39Å; A205-P247 PolarHBondContact N-O 3.38Å
248	Y	97.1	Very high	93.3	Very high	13 Å²	13	55.7 Å²	55.7	5%	0.051	31%	0.312	C	S	.	.	S	Bend	trans	-143.6	166.7	176.8	51.8	-94.6	0	0	0	109.8	E109 P110 A111 M114 Y185 V203 R246 W250	E109-Y248 HydrophobicContact CB-CE1 4.12Å; E109-Y248 HydrophobicContact CG-CE1 4.02Å; E109-Y248 PolarHBondContact OE2-OH 3.28Å; P110-Y248 HydrophobicContact CG-CE2 4.22Å; A111-Y248 HydrophobicContact CB-CD2 3.69Å; A111-Y248 HydrophobicContact CB-CE2 4.43Å; A111-Y248 HydrophobicContact CB-CG 3.78Å; M114-Y248 HydrophobicContact CE-CD1 3.85Å; M114-Y248 HydrophobicContact CE-CG 4.14Å; Y185-Y248 HydrophobicContact CD2-CD2 4.44Å; Y185-Y248 AromaticContact CD2-CE2 3.77Å; Y185-Y248 HydrophobicContact CD2-CE2 3.77Å; Y185-Y248 AromaticContact CD2-CZ 3.79Å; Y185-Y248 AromaticContact CE2-CD2 3.79Å; Y185-Y248 HydrophobicContact CE2-CD2 3.79Å; Y185-Y248 AromaticContact CE2-CE2 3.52Å; Y185-Y248 HydrophobicContact CE2-CE2 3.52Å; Y185-Y248 HydrophobicContact CE2-CG 4.46Å; Y185-Y248 AromaticContact CE2-CZ 3.98Å; Y185-Y248 WeakPolarHBondContact CE2-O 3.17Å; Y185-Y248 PolarHBondContact OH-O 3Å; Y185-Y248 VanDerWaalsContact OH-O 3.1Å; V203-Y248 HydrophobicContact CB-CD1 4.38Å; V203-Y248 HydrophobicContact CB-CE1 4.4Å; V203-Y248 HydrophobicContact CG2-CD1 4.18Å; V203-Y248 HydrophobicContact CG2-CE1 3.97Å; R246-Y248 PolarHBondContact O-N 2.97Å; Y248-W250 HydrophobicContact CE2-CE3 4.27Å
249	S	93.9	Very high	93.4	Very high	58 Å²	58	63.8 Å²	63.8	41%	0.406	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.1	167.6	43.6	0	0	0	0	110	A111 A112	A111-S249 CarbonylContact C-O 3.56Å; A111-S249 WeakPolarHBondContact CA-O 3.37Å; A112-S249 WeakPolarHBondContact CB-O 3.13Å; A112-S249 PolarHBondContact N-O 2.94Å
250	W	95.9	Very high	93.5	Very high	148 Å²	148	66.7 Å²	66.7	56%	0.561	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.8	-179.6	-168.5	-82.3	0	0	0	112.1	P110 Y185 Y248	P110-W250 HydrophobicContact CB-CD2 4.29Å; P110-W250 HydrophobicContact CB-CE3 4.49Å; P110-W250 HydrophobicContact CB-CH2 4.35Å; P110-W250 HydrophobicContact CB-CZ2 4.12Å; P110-W250 HydrophobicContact CG-CD2 4.09Å; P110-W250 HydrophobicContact CG-CE3 3.8Å; P110-W250 HydrophobicContact CG-CH2 3.61Å; P110-W250 HydrophobicContact CG-CZ2 3.89Å; P110-W250 HydrophobicContact CG-CZ3 3.56Å; P110-W250 CarbonylContact O-C 3.58Å; P110-W250 VanDerWaalsContact O-CA 3.31Å; P110-W250 WeakPolarHBondContact O-CA 3.29Å; Y185-W250 HydrophobicContact CD1-CD2 4.5Å; Y185-W250 AromaticContact CD1-CE3 3.6Å; Y185-W250 HydrophobicContact CD1-CE3 3.6Å; Y185-W250 HydrophobicContact CD1-CZ3 4.1Å; Y185-W250 HydrophobicContact CD2-CE3 4.07Å; Y185-W250 HydrophobicContact CD2-CZ3 4.48Å; Y185-W250 HydrophobicContact CE1-CB 3.86Å; Y185-W250 HydrophobicContact CE1-CD2 4.34Å; Y185-W250 AromaticContact CE1-CE3 3.77Å; Y185-W250 HydrophobicContact CE1-CE3 3.77Å; Y185-W250 HydrophobicContact CE1-CG 4.43Å; Y185-W250 HydrophobicContact CE2-CE3 4.21Å; Y185-W250 AromaticContact CG-CE3 3.8Å; Y185-W250 HydrophobicContact CG-CE3 3.8Å; Y185-W250 HydrophobicContact CG-CZ3 4.02Å; Y185-W250 PolarHBondContact OH-N 3.16Å; Y248-W250 HydrophobicContact CE2-CE3 4.27Å
251	G	96.2	Very high	93.6	Very high	22 Å²	22	68.2 Å²	68.2	23%	0.227	37%	0.367	C	S	.	.	S	Bend	trans	166.2	-170.3	172.8	0	0	0	0	0	113.3	P110 A111	P110-G251 CarbonylContact C-O 3.6Å; P110-G251 WeakPolarHBondContact CA-O 3.16Å; P110-G251 PolarHBondContact O-N 3.34Å; A111-G251 PolarHBondContact N-O 3.39Å
252	R	96	Very high	93.8	Very high	215 Å²	215	75.8 Å²	75.8	81%	0.811	39%	0.394	S	S	*	.	S	Bend	trans	-65.8	135.2	171.1	-66.9	-177.5	179.3	178	-0.2	109.5	A112 C254 S255	A112-R252 WeakPolarHBondContact CA-O 3.43Å; R252-C254 PolarHBondContact O-N 2.97Å; R252-S255 WeakPolarHBondContact O-CB 3.43Å; R252-S255 PolarHBondContact O-N 2.64Å; R252-S255 VanDerWaalsContact O-N 3.15Å; R252-S255 PolarHBondContact O-OG 2.78Å
253	P	97	Very high	94.1	Very high	65 Å²	65	81.4 Å²	81.4	42%	0.422	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	139.2	175	-31.4	36.7	0	0	0	113	A111 S255	A111-P253 WeakPolarHBondContact O-CA 3.36Å; P253-S255 PolarHBondContact O-N 3.15Å; P253-S255 VanDerWaalsContact O-N 3.11Å
254	C	96.5	Very high	94.8	Very high	5 Å²	5	77.1 Å²	77.1	3%	0.034	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	10.3	-177.9	-68.9	0	0	0	0	117.9	A112 R252 T256 C257 C261 G264 L265	A112-C254 CarbonylContact O-C 3.3Å; R252-C254 PolarHBondContact O-N 2.97Å; C254-T256 PolarHBondContact O-N 3.04Å; C254-C257 CarbonylContact O-C 3.38Å; C254-C257 PolarHBondContact O-N 3.35Å; C254-C261 HydrophobicContact CB-CB 3.47Å; C254-C261 VanDerWaalsContact CB-CB 3.47Å; C254-C261 WeakPolarHBondContact CB-SG 3.36Å; C254-C261 WeakPolarHBondContact SG-CB 3.29Å; C254-C261 CovalentContact SG-SG 2.03Å; C254-C261 PolarHBondContact SG-SG 2.89Å; C254-G264 PolarHBondContact SG-O 3.11Å; C254-L265 VanDerWaalsContact SG-C 3.58Å; C254-L265 PolarHBondContact SG-N 3.02Å; C254-L265 VanDerWaalsContact SG-N 3.43Å
255	S	96.9	Very high	95.5	Very high	68 Å²	68	75.1 Å²	75.1	48%	0.476	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.9	-176.3	68.7	0	0	0	0	114.8	A112 R252 P253	A112-S255 WeakPolarHBondContact CA-OG 3.48Å; A112-S255 VanDerWaalsContact CB-OG 3.26Å; A112-S255 WeakPolarHBondContact CB-OG 3.25Å; A112-S255 PolarHBondContact O-N 3.23Å; R252-S255 WeakPolarHBondContact O-CB 3.43Å; R252-S255 PolarHBondContact O-N 2.64Å; R252-S255 VanDerWaalsContact O-N 3.15Å; R252-S255 PolarHBondContact O-OG 2.78Å; P253-S255 PolarHBondContact O-N 3.15Å; P253-S255 VanDerWaalsContact O-N 3.11Å
256	T	96	Very high	95.9	Very high	79 Å²	79	74.1 Å²	74.1	49%	0.485	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.8	173.8	60.9	0	0	0	0	115	A112 Y113 C254	A112-T256 HydrophobicContact CB-CG2 4.13Å; A112-T256 WeakPolarHBondContact O-CB 2.74Å; A112-T256 WeakPolarHBondContact O-CG2 3.41Å; A112-T256 PolarHBondContact O-N 3.37Å; A112-T256 PolarHBondContact O-OG1 3.5Å; Y113-T256 WeakPolarHBondContact CA-OG1 3.45Å; Y113-T256 VanDerWaalsContact CB-OG1 3.27Å; Y113-T256 WeakPolarHBondContact CB-OG1 3.37Å; Y113-T256 WeakPolarHBondContact CD2-OG1 3.48Å; C254-T256 PolarHBondContact O-N 3.04Å
257	C	95.9	Very high	96.1	Very high	18 Å²	18	72.3 Å²	72.3	12%	0.122	38%	0.377	C	S	.	.	S	Bend	trans	-141.5	34.8	-174.6	65.4	0	0	0	0	114.4	C254 F259 T260 C261 C266	C254-C257 CarbonylContact O-C 3.38Å; C254-C257 PolarHBondContact O-N 3.35Å; C257-F259 PolarHBondContact O-N 2.73Å; C257-T260 PolarHBondContact O-N 3.27Å; C257-T260 PolarHBondContact O-OG1 2.92Å; C257-C261 PolarHBondContact O-N 3.49Å; C257-C266 HydrophobicContact CB-CB 3.72Å; C257-C266 WeakPolarHBondContact CB-SG 3.41Å; C257-C266 WeakPolarHBondContact SG-CA 3.27Å; C257-C266 WeakPolarHBondContact SG-CB 3.31Å; C257-C266 CovalentContact SG-SG 2.04Å; C257-C266 PolarHBondContact SG-SG 3.18Å
258	P	94.8	Very high	96.1	Very high	78 Å²	78	72.3 Å²	72.3	51%	0.506	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-54.5	-47	-160.9	21.5	-34.3	0	0	0	113.9	T260 C261	P258-T260 PolarHBondContact O-N 2.62Å; P258-T260 VanDerWaalsContact O-N 3.08Å; P258-C261 PolarHBondContact O-N 3.49Å
259	F	96.3	Very high	95.9	Very high	202 Å²	202	78 Å²	78	89%	0.886	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-68.5	-6.6	-177.8	-51.4	-66	0	0	0	115.1	C257	C257-F259 PolarHBondContact O-N 2.73Å
260	T	95.9	Very high	95.9	Very high	74 Å²	74	75.2 Å²	75.2	45%	0.454	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-129.7	6.9	-177.6	61.5	0	0	0	0	113.3	C257 P258 P267	C257-T260 PolarHBondContact O-N 3.27Å; C257-T260 PolarHBondContact O-OG1 2.92Å; P258-T260 PolarHBondContact O-N 2.62Å; P258-T260 VanDerWaalsContact O-N 3.08Å; T260-P267 WeakPolarHBondContact O-CD 3.42Å; T260-P267 WeakPolarHBondContact O-CG 3.47Å; T260-P267 WeakPolarHBondContact OG1-CD 3.46Å
261	C	96	Very high	95.5	Very high	49 Å²	49	71.3 Å²	71.3	33%	0.331	37%	0.372	S	S	.	.			trans	-59.6	139.9	178.7	-172.2	0	0	0	0	111.8	C254 C257 P258 L265	C254-C261 HydrophobicContact CB-CB 3.47Å; C254-C261 VanDerWaalsContact CB-CB 3.47Å; C254-C261 WeakPolarHBondContact CB-SG 3.36Å; C254-C261 WeakPolarHBondContact SG-CB 3.29Å; C254-C261 CovalentContact SG-SG 2.03Å; C254-C261 PolarHBondContact SG-SG 2.89Å; C257-C261 PolarHBondContact O-N 3.49Å; P258-C261 PolarHBondContact O-N 3.49Å; C261-L265 CarbonylContact C-O 3.01Å; C261-L265 WeakPolarHBondContact CA-O 3.39Å
262	R	95.5	Very high	94.6	Very high	184 Å²	184	72.8 Å²	72.8	69%	0.694	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-135	116.1	168	-65.7	-176	174	-157.7	-7	108.3	G264 L265	R262-G264 VanDerWaalsContact C-N 3.33Å; R262-G264 PolarHBondContact O-N 3.43Å; R262-L265 PolarHBondContact N-O 3.13Å; R262-L265 WeakPolarHBondContact O-CB 3.32Å; R262-L265 PolarHBondContact O-N 2.83Å
263	N	93.8	Very high	93.6	Very high	151 Å²	151	66.3 Å²	66.3	81%	0.807	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	51	177.3	-55.4	-10.4	0	0	0	113	S107 L265	S107-N263 WeakPolarHBondContact CB-O 3.39Å; N263-L265 VanDerWaalsContact C-N 3.26Å; N263-L265 PolarHBondContact O-N 3.04Å
264	G	95.1	Very high	92.5	Very high	18 Å²	18	65.3 Å²	65.3	19%	0.186	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-1.9	-179.4	0	0	0	0	0	116.1	C254 R262	C254-G264 PolarHBondContact SG-O 3.11Å; R262-G264 VanDerWaalsContact C-N 3.33Å; R262-G264 PolarHBondContact O-N 3.43Å
265	L	98.2	Very high	91.3	Very high	9 Å²	9	72.2 Å²	72.2	5%	0.047	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-111.4	142.1	-178.1	-55.9	169.9	0	0	0	112.5	N103 R106 M114 E116 C254 C261 R262 N263	N103-L265 HydrophobicContact CB-CD1 3.68Å; R106-L265 HydrophobicContact CB-CD2 3.8Å; M114-L265 HydrophobicContact CB-CD2 4.25Å; M114-L265 HydrophobicContact CG-CD2 3.62Å; E116-L265 HydrophobicContact CB-CB 4.21Å; E116-L265 HydrophobicContact CB-CD1 4.23Å; E116-L265 HydrophobicContact CG-CD1 4.35Å; C254-L265 VanDerWaalsContact SG-C 3.58Å; C254-L265 PolarHBondContact SG-N 3.02Å; C254-L265 VanDerWaalsContact SG-N 3.43Å; C261-L265 CarbonylContact C-O 3.01Å; C261-L265 WeakPolarHBondContact CA-O 3.39Å; R262-L265 PolarHBondContact N-O 3.13Å; R262-L265 WeakPolarHBondContact O-CB 3.32Å; R262-L265 PolarHBondContact O-N 2.83Å; N263-L265 VanDerWaalsContact C-N 3.26Å; N263-L265 PolarHBondContact O-N 3.04Å
266	C	97.5	Very high	89.7	Confident	3 Å²	3	74.7 Å²	74.7	2%	0.02	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-79.4	153.1	166.6	-55	0	0	0	0	110.9	Y113 M114 Q115 E116 C257 S268	Y113-C266 HydrophobicContact CD2-CB 4.39Å; Y113-C266 HydrophobicContact CE2-CB 4.33Å; M114-C266 WeakPolarHBondContact O-CB 3.28Å; M114-C266 PolarHBondContact O-N 3.06Å; Q115-C266 WeakPolarHBondContact CA-O 3.47Å; E116-C266 PolarHBondContact N-O 3.39Å; C257-C266 HydrophobicContact CB-CB 3.72Å; C257-C266 WeakPolarHBondContact CB-SG 3.41Å; C257-C266 WeakPolarHBondContact SG-CA 3.27Å; C257-C266 WeakPolarHBondContact SG-CB 3.31Å; C257-C266 CovalentContact SG-SG 2.04Å; C257-C266 PolarHBondContact SG-SG 3.18Å; C266-S268 PolarHBondContact O-N 2.9Å
267	P	96.5	Very high	88.3	Confident	56 Å²	56	73.4 Å²	73.4	36%	0.364	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-58.2	138.9	178.6	-23.3	32.5	0	0	0	113.2	T260 K269	T260-P267 WeakPolarHBondContact O-CD 3.42Å; T260-P267 WeakPolarHBondContact O-CG 3.47Å; T260-P267 WeakPolarHBondContact OG1-CD 3.46Å; P267-K269 PolarHBondContact O-N 3Å
268	S	96.2	Very high	86.9	Confident	4 Å²	4	79 Å²	79	3%	0.028	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-63.1	116.9	175.1	178.6	0	0	0	0	112	E116 C208 C266 C270 L271	E116-S268 WeakPolarHBondContact O-CB 3.27Å; E116-S268 PolarHBondContact O-OG 3.02Å; C208-S268 WeakPolarHBondContact CB-OG 3.42Å; C208-S268 PolarHBondContact O-OG 3.44Å; C266-S268 PolarHBondContact O-N 2.9Å; S268-C270 PolarHBondContact O-N 3.19Å; S268-C270 WeakPolarHBondContact OG-CB 3.41Å; S268-C270 PolarHBondContact OG-N 3.28Å; S268-L271 WeakPolarHBondContact O-CB 3.46Å; S268-L271 WeakPolarHBondContact O-CD1 3.49Å; S268-L271 WeakPolarHBondContact O-CG 3.38Å; S268-L271 PolarHBondContact O-N 2.89Å; S268-L271 VanDerWaalsContact O-N 3.16Å
269	K	93.7	Very high	85.6	Confident	132 Å²	132	81 Å²	81	57%	0.574	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.5	171.9	-70.4	168.8	176.9	165.3	0	112.4	Y113 Q115 P267 L271 A272	Y113-K269 VanDerWaalsContact OH-CE 3.27Å; Y113-K269 WeakPolarHBondContact OH-CE 3.45Å; Y113-K269 PolarHBondContact OH-NZ 2.94Å; Q115-K269 VanDerWaalsContact OE1-CG 3.23Å; P267-K269 PolarHBondContact O-N 3Å; K269-L271 PolarHBondContact O-N 3.21Å; K269-A272 PolarHBondContact O-N 3.26Å
270	C	93.9	Very high	83.9	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.5	178	-69.2	0	0	0	0	113.1	I118 C208 A209 S268 A272 F273 Q274	I118-C270 VanDerWaalsContact CD1-C 3.44Å; I118-C270 HydrophobicContact CD1-CB 3.6Å; I118-C270 HydrophobicContact CG1-CB 4.07Å; C208-C270 HydrophobicContact CB-CB 3.83Å; C208-C270 WeakPolarHBondContact CB-SG 3.26Å; C208-C270 WeakPolarHBondContact SG-CB 3.36Å; C208-C270 PolarHBondContact SG-N 2.95Å; C208-C270 CovalentContact SG-SG 2.04Å; C208-C270 PolarHBondContact SG-SG 3.15Å; A209-C270 HydrophobicContact CB-CB 4Å; A209-C270 VanDerWaalsContact CB-SG 3.54Å; A209-C270 PolarHBondContact N-SG 3.02Å; A209-C270 VanDerWaalsContact N-SG 3.44Å; S268-C270 PolarHBondContact O-N 3.19Å; S268-C270 WeakPolarHBondContact OG-CB 3.41Å; S268-C270 PolarHBondContact OG-N 3.28Å; C270-A272 PolarHBondContact O-N 3.01Å; C270-F273 HydrophobicContact CB-CD2 4.31Å; C270-F273 PolarHBondContact O-N 3.12Å; C270-Q274 PolarHBondContact O-N 3.4Å
271	L	88.5	Confident	82.1	Confident	66 Å²	66	81.1 Å²	81.1	35%	0.346	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-28.1	175.3	-74.4	166	0	0	0	113	I118 S268 K269 K275	I118-L271 HydrophobicContact CD1-CD2 4.02Å; I118-L271 HydrophobicContact CD1-CG 4.08Å; I118-L271 HydrophobicContact CG2-CD2 4.11Å; I118-L271 HydrophobicContact CG2-CG 4.37Å; S268-L271 WeakPolarHBondContact O-CB 3.46Å; S268-L271 WeakPolarHBondContact O-CD1 3.49Å; S268-L271 WeakPolarHBondContact O-CG 3.38Å; S268-L271 PolarHBondContact O-N 2.89Å; S268-L271 VanDerWaalsContact O-N 3.16Å; K269-L271 PolarHBondContact O-N 3.21Å; L271-K275 WeakPolarHBondContact O-CG 3.4Å; L271-K275 PolarHBondContact O-N 3.46Å
272	A	76.7	Confident	80.2	Confident	53 Å²	53	86.4 Å²	86.4	44%	0.438	42%	0.423	S	S	.	.	H	α-helix	trans	-65.1	-43.1	173.9	0	0	0	0	0	112	K269 C270 K275 Q276	K269-A272 PolarHBondContact O-N 3.26Å; C270-A272 PolarHBondContact O-N 3.01Å; A272-K275 PolarHBondContact O-N 2.91Å; A272-Q276 WeakPolarHBondContact O-CG 3.19Å; A272-Q276 PolarHBondContact O-N 3Å; A272-Q276 VanDerWaalsContact O-N 3.13Å
273	F	74.3	Confident	78.2	Confident	78 Å²	78	83.3 Å²	83.3	34%	0.342	43%	0.427	S	S	.	.	H	α-helix	trans	-68.2	-42	179.6	-52.6	-47	0	0	0	111.7	Q149 Y150 C270 K275 Q276 Q277	Q149-F273 HydrophobicContact CG-CB 4.46Å; Q149-F273 HydrophobicContact CG-CD2 4.36Å; Q149-F273 HydrophobicContact CG-CG 4.28Å; Y150-F273 AromaticContact CE1-CD2 3.98Å; Y150-F273 HydrophobicContact CE1-CD2 3.98Å; Y150-F273 HydrophobicContact CE1-CE2 4.05Å; C270-F273 HydrophobicContact CB-CD2 4.31Å; C270-F273 PolarHBondContact O-N 3.12Å; F273-K275 VanDerWaalsContact C-N 3.31Å; F273-K275 PolarHBondContact O-N 3.22Å; F273-Q276 PolarHBondContact O-N 2.88Å; F273-Q277 WeakPolarHBondContact O-CG 3.13Å; F273-Q277 PolarHBondContact O-N 3.3Å
274	Q	73.7	Confident	76.6	Confident	45 Å²	45	87.6 Å²	87.6	21%	0.21	43%	0.432	C	S	.	.	H	α-helix	trans	-57.8	-42.3	173.3	-81	-166.3	-6.2	0	0	112.4	I118 W119 C270 Q277 K278	I118-Q274 HydrophobicContact CD1-CG 3.81Å; W119-Q274 PolarHBondContact O-NE2 3.43Å; C270-Q274 PolarHBondContact O-N 3.4Å; Q274-Q277 PolarHBondContact O-N 3.39Å; Q274-K278 WeakPolarHBondContact O-CB 3.44Å; Q274-K278 WeakPolarHBondContact O-CG 3.31Å; Q274-K278 PolarHBondContact O-N 3.19Å
275	K	71.5	Confident	74.9	Confident	150 Å²	150	96.1 Å²	96.1	65%	0.652	46%	0.464	S	S	*	.	H	α-helix	trans	-62.1	-42.9	177.1	-74.8	176.1	-179.1	-176.9	0	111.3	L271 A272 F273 K278 I279	L271-K275 WeakPolarHBondContact O-CG 3.4Å; L271-K275 PolarHBondContact O-N 3.46Å; A272-K275 PolarHBondContact O-N 2.91Å; F273-K275 VanDerWaalsContact C-N 3.31Å; F273-K275 PolarHBondContact O-N 3.22Å; K275-K278 PolarHBondContact O-N 3.32Å; K275-I279 WeakPolarHBondContact O-CD1 3.49Å; K275-I279 VanDerWaalsContact O-CG1 3.28Å; K275-I279 WeakPolarHBondContact O-CG1 3.23Å; K275-I279 PolarHBondContact O-N 3.43Å; K275-I279 VanDerWaalsContact O-N 3.1Å
276	Q	64.4	Low	72.6	Confident	119 Å²	119	105.2 Å²	105.2	56%	0.556	50%	0.503	S	S	*	.	H	α-helix	trans	-62.9	-48.1	176.4	-70.5	169.7	-18.2	0	0	112	A272 F273 K278 I279 V280	A272-Q276 WeakPolarHBondContact O-CG 3.19Å; A272-Q276 PolarHBondContact O-N 3Å; A272-Q276 VanDerWaalsContact O-N 3.13Å; F273-Q276 PolarHBondContact O-N 2.88Å; Q276-K278 VanDerWaalsContact C-N 3.35Å; Q276-K278 PolarHBondContact O-N 3.36Å; Q276-I279 PolarHBondContact O-N 3.05Å; Q276-I279 VanDerWaalsContact O-N 3.1Å; Q276-V280 WeakPolarHBondContact O-CG2 3.28Å; Q276-V280 PolarHBondContact O-N 2.85Å
277	Q	66.1	Low	70.5	Confident	53 Å²	53	111.6 Å²	111.6	25%	0.248	54%	0.541	C	S	.	.	H	α-helix	trans	-56.4	-46.6	176	-71	176.3	-3.3	0	0	111.8	F273 Q274 I279 V280 Q281	F273-Q277 WeakPolarHBondContact O-CG 3.13Å; F273-Q277 PolarHBondContact O-N 3.3Å; Q274-Q277 PolarHBondContact O-N 3.39Å; Q277-I279 VanDerWaalsContact C-N 3.26Å; Q277-I279 PolarHBondContact O-N 3.02Å; Q277-V280 PolarHBondContact O-N 3.3Å; Q277-Q281 WeakPolarHBondContact O-CB 3.39Å; Q277-Q281 WeakPolarHBondContact O-CG 3.1Å; Q277-Q281 PolarHBondContact O-N 2.87Å
278	K	66.6	Low	68.3	Low	135 Å²	135	114.2 Å²	114.2	59%	0.587	56%	0.556	S	S	*	*	H	α-helix	trans	-67.5	-20.5	178.4	-72	177.7	178.4	177.4	0	114.1	Q274 K275 Q276	Q274-K278 WeakPolarHBondContact O-CB 3.44Å; Q274-K278 WeakPolarHBondContact O-CG 3.31Å; Q274-K278 PolarHBondContact O-N 3.19Å; K275-K278 PolarHBondContact O-N 3.32Å; Q276-K278 VanDerWaalsContact C-N 3.35Å; Q276-K278 PolarHBondContact O-N 3.36Å
279	I	66.4	Low	66.3	Low	120 Å²	120	118.6 Å²	118.6	62%	0.615	59%	0.585	S	S	*	*	H	α-helix	trans	-79.1	-44.7	171.2	-70	162.8	0	0	0	110.3	K275 Q276 Q277 Q281 K282	K275-I279 WeakPolarHBondContact O-CD1 3.49Å; K275-I279 VanDerWaalsContact O-CG1 3.28Å; K275-I279 WeakPolarHBondContact O-CG1 3.23Å; K275-I279 PolarHBondContact O-N 3.43Å; K275-I279 VanDerWaalsContact O-N 3.1Å; Q276-I279 PolarHBondContact O-N 3.05Å; Q276-I279 VanDerWaalsContact O-N 3.1Å; Q277-I279 VanDerWaalsContact C-N 3.26Å; Q277-I279 PolarHBondContact O-N 3.02Å; I279-Q281 PolarHBondContact O-N 3.41Å; I279-K282 PolarHBondContact O-N 3.14Å
280	V	61.6	Low	64.9	Low	126 Å²	126	118.6 Å²	118.6	76%	0.764	60%	0.596	S	S	*	*	H	α-helix	trans	-66.5	-36.4	179.3	175.3	0	0	0	0	112.1	Q276 Q277 K282	Q276-V280 WeakPolarHBondContact O-CG2 3.28Å; Q276-V280 PolarHBondContact O-N 2.85Å; Q277-V280 PolarHBondContact O-N 3.3Å; V280-K282 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 3.41Å
281	Q	58.6	Low	62.5	Low	153 Å²	153	128.4 Å²	128.4	72%	0.715	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-10.2	179	-70.7	177.8	-0.6	0	0	114.5	Q277 I279 P283	Q277-Q281 WeakPolarHBondContact O-CB 3.39Å; Q277-Q281 WeakPolarHBondContact O-CG 3.1Å; Q277-Q281 PolarHBondContact O-N 2.87Å; I279-Q281 PolarHBondContact O-N 3.41Å; Q281-P283 WeakPolarHBondContact O-CD 3.46Å
282	K	55.9	Low	60.7	Low	159 Å²	159	136.5 Å²	136.5	69%	0.691	66%	0.66	S	S	*	*	S	Bend	trans	-65.8	124.3	173.8	-91.5	-179.1	176.2	-177.9	0	109	I279 V280 R284	I279-K282 PolarHBondContact O-N 3.14Å; V280-K282 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 3.41Å; K282-R284 PolarHBondContact O-N 3.07Å; K282-R284 VanDerWaalsContact O-N 3.16Å
283	P	53.2	Low	59.6	Low	120 Å²	120	145.5 Å²	145.5	78%	0.779	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-59.4	125.8	174.5	24.9	-33	0	0	0	108.6	Q281 K285	Q281-P283 WeakPolarHBondContact O-CD 3.46Å; P283-K285 PolarHBondContact O-N 3.19Å
284	R	59.5	Low	58.4	Low	240 Å²	240	146 Å²	146	91%	0.906	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-55.5	116.8	170.9	-70.8	-175	177.9	-169.8	-0.5	107	K282 K286	K282-R284 PolarHBondContact O-N 3.07Å; K282-R284 VanDerWaalsContact O-N 3.16Å; R284-K286 PolarHBondContact O-N 3.2Å; R284-K286 VanDerWaalsContact O-N 3.07Å
285	K	59.8	Low	57.6	Low	197 Å²	197	149.5 Å²	149.5	86%	0.857	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-51.6	121	171.9	-74.3	-171.7	174.7	-173	0	107.1	P283 V287	P283-K285 PolarHBondContact O-N 3.19Å; K285-V287 PolarHBondContact O-N 3.29Å
286	K	50.6	Low	56.4	Low	200 Å²	200	151 Å²	151	87%	0.87	74%	0.74	S	S	*	*			trans	-62.1	104	171.9	-77.3	-173.9	175.6	-178.1	0	107.1	R284 V288	R284-K286 PolarHBondContact O-N 3.2Å; R284-K286 VanDerWaalsContact O-N 3.07Å; K286-V288 VanDerWaalsContact C-N 3.3Å; K286-V288 PolarHBondContact O-N 3.06Å
287	V	52.4	Low	55.5	Low	137 Å²	137	152 Å²	152	83%	0.83	75%	0.753	S	S	*	*			trans	-71.1	95.1	169.2	-179.8	0	0	0	0	106	K285 P289	K285-V287 PolarHBondContact O-N 3.29Å; V287-P289 WeakPolarHBondContact O-CD 3.19Å
288	V	50.5	Low	54.8	Low	112 Å²	112	155.4 Å²	155.4	68%	0.679	78%	0.778	S	S	*	*			trans	-68.2	122.8	171.1	-177.9	0	0	0	0	106.7	K286 V290	K286-V288 VanDerWaalsContact C-N 3.3Å; K286-V288 PolarHBondContact O-N 3.06Å; V288-V290 PolarHBondContact O-N 2.88Å; V288-V290 VanDerWaalsContact O-N 3.12Å
289	P	55.5	Low	53.6	Low	95 Å²	95	160.5 Å²	160.5	62%	0.617	79%	0.793	S	S	*	*			trans	-67.7	113.4	178.3	26.8	-32.7	0	0	0	109.2	V287 Y291	V287-P289 WeakPolarHBondContact O-CD 3.19Å; P289-Y291 VanDerWaalsContact C-N 3.28Å; P289-Y291 PolarHBondContact O-N 3Å
290	V	62.8	Low	52.7	Low	133 Å²	133	160.3 Å²	160.3	81%	0.806	80%	0.8	S	S	*	*			trans	-76.1	83.6	177.6	-176.6	0	0	0	0	109	V288 R292	V288-V290 PolarHBondContact O-N 2.88Å; V288-V290 VanDerWaalsContact O-N 3.12Å; V290-R292 PolarHBondContact O-N 2.67Å
291	Y	44.5	Very low	51.9	Low	206 Å²	206	159.5 Å²	159.5	81%	0.808	80%	0.797	S	S	*	*			trans	-64.2	103.1	163.8	-97	-86.4	0	0	0	108.9	P289 R293	P289-Y291 VanDerWaalsContact C-N 3.28Å; P289-Y291 PolarHBondContact O-N 3Å; Y291-R293 PolarHBondContact O-N 3Å; Y291-R293 VanDerWaalsContact O-N 3.13Å
292	R	51.4	Low	51.1	Low	236 Å²	236	158.3 Å²	158.3	89%	0.891	80%	0.795	S	S	*	*			trans	-62.4	111.7	162.1	-73.7	-173.4	178.8	-175.1	0.2	107.7	V290	V290-R292 PolarHBondContact O-N 2.67Å
293	R	52.1	Low	50.7	Low	241 Å²	241	157 Å²	157	91%	0.909	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.3	132.1	160.2	-69.7	-176.3	177.5	179.3	-1.4	107.6	Y291	Y291-R293 PolarHBondContact O-N 3Å; Y291-R293 VanDerWaalsContact O-N 3.13Å
294	A	49.6	Very low	50	Low	88 Å²	88	160.1 Å²	160.1	73%	0.727	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68	143.4	168.7	0	0	0	0	0	109.5	M296	A294-M296 PolarHBondContact O-N 3.15Å
295	P	56.2	Low	49.1	Very low	120 Å²	120	158.2 Å²	158.2	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-69.9	126.6	172.6	29.2	-32.7	0	0	0	109.7
296	M	47.6	Very low	48.4	Very low	182 Å²	182	155.1 Å²	155.1	90%	0.897	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.5	133	163.7	-81	-179	159.3	0	0	109	A294	A294-M296 PolarHBondContact O-N 3.15Å
297	V	45.7	Very low	48.2	Very low	139 Å²	139	149.6 Å²	149.6	84%	0.842	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-90.1	123.3	173.9	178.3	0	0	0	0	108.7
298	T	51.3	Low	48	Very low	124 Å²	124	148.4 Å²	148.4	76%	0.761	77%	0.768	S	S	*	*			trans	-129	145.1	170	47.8	0	0	0	0	110.1
299	R	41.5	Very low	47.7	Very low	243 Å²	243	148.4 Å²	148.4	92%	0.917	77%	0.769	S	S	*	*			trans	-90	133.1	179.2	-76.9	179.4	170.1	176.8	-4.8	111.1
300	P	46.7	Very low	47.3	Very low	115 Å²	115	150.1 Å²	150.1	75%	0.747	78%	0.778	S	S	*	*			trans	-77.4	164.8	148.1	36.6	-33.1	0	0	0	109.5
301	P	45.2	Very low	46.5	Very low	109 Å²	109	148.4 Å²	148.4	71%	0.708	77%	0.772	S	S	*	*			cis	-126.6	-168.3	46.9	30.5	-5.5	0	0	0	112.4
302	D	41.7	Very low	46.5	Very low	128 Å²	128	143.7 Å²	143.7	68%	0.684	77%	0.769	S	S	*	*			cis	-162.6	157.4	46.2	-93.7	-54	0	0	0	115.1
303	T	46.7	Very low	46	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	77%	0.766	S	S	*	*			trans	62.4	160	154.8	55.3	0	0	0	0	121.6
304	Y	39.5	Very low	45.6	Very low	186 Å²	186	130.5 Å²	130.5	73%	0.729	76%	0.758	S	S	*	*			cis	-167.5	123.3	-46	-143.1	-149.7	0	0	0	110.7
305	W	40.1	Very low	45.3	Very low	200 Å²	200	133.1 Å²	133.1	76%	0.758	77%	0.765	S	S	*	*			trans	58.1	167	173.5	-52.2	102.2	0	0	0	116.2
306	N	45.2	Very low	44.5	Very low	133 Å²	133	132 Å²	132	71%	0.711	77%	0.766	S	S	*	*			cis	-153.3	172.1	-2.2	-140	-3.2	0	0	0	107.6
307	S	46.3	Very low	44.1	Very low	84 Å²	84	128.9 Å²	128.9	59%	0.587	76%	0.759	S	S	*	*			cis	-153.5	-178.7	6.9	-45.1	0	0	0	0	111.1
308	S	47.3	Very low	43.6	Very low	111 Å²	111	127.6 Å²	127.6	78%	0.776	76%	0.756	S	S	*	*			trans	38.2	135.8	134.3	-64.9	0	0	0	0	123.2
309	T	45.9	Very low	43.1	Very low	113 Å²	113	129.3 Å²	129.3	69%	0.693	76%	0.761	S	S	*	*			cis	-166.3	151	-19.8	-18.3	0	0	0	0	109.1
310	T	46.6	Very low	43.1	Very low	130 Å²	130	121.9 Å²	121.9	80%	0.798	75%	0.752	S	S	*	*			trans	35.1	143.6	149.6	43.4	0	0	0	0	122.6
311	S	44.7	Very low	42.7	Very low	98 Å²	98	124.7 Å²	124.7	69%	0.685	76%	0.76	S	S	*	*			cis	-156.2	157.6	17.7	52.1	0	0	0	0	114.7
312	S	44.8	Very low	42.2	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	77%	0.765	S	S	*	*			trans	50.8	92.8	146.5	62.3	0	0	0	0	119.7
313	G	41.9	Very low	42.1	Very low	81 Å²	81	129.5 Å²	129.5	84%	0.835	77%	0.773	S	S	*	*			trans	-120.8	135.7	149.6	0	0	0	0	0	109.5
314	T	43.3	Very low	41.7	Very low	120 Å²	120	134.2 Å²	134.2	74%	0.736	78%	0.776	S	S	*	*			trans	-114.6	135.6	-162	-51.8	0	0	0	0	113.7
315	T	42.5	Very low	41.6	Very low	143 Å²	143	131.7 Å²	131.7	88%	0.877	78%	0.78	S	S	*	*			trans	65.2	135.5	169.1	39.2	0	0	0	0	119
316	A	39.2	Very low	41.4	Very low	97 Å²	97	127.6 Å²	127.6	80%	0.802	78%	0.777	S	S	*	*			trans	-120.5	167.1	179.8	0	0	0	0	0	111
317	P	39.3	Very low	40.9	Very low	116 Å²	116	126.8 Å²	126.8	75%	0.753	78%	0.782	S	S	*	*			trans	-102.4	168.1	-165.6	38.7	-35.8	0	0	0	116.3
318	S	36.2	Very low	40.6	Very low	112 Å²	112	128.1 Å²	128.1	78%	0.783	79%	0.791	S	S	*	*			trans	81.2	121.8	158.2	74.3	0	0	0	0	120.3
319	N	40.2	Very low	39.8	Very low	160 Å²	160	128.3 Å²	128.3	86%	0.856	79%	0.792	S	S	*	*			trans	-130.3	139.8	141.6	-77.7	-48.3	0	0	0	105.1
320	A	42.2	Very low	39.9	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	80%	0.799	S	S	*	*			cis	77.1	94.5	37.3	0	0	0	0	0	113.4
321	D	38.8	Very low	39.3	Very low	173 Å²	173	131.6 Å²	131.6	93%	0.925	80%	0.802	S	S	*	*			trans	-157.3	124.9	154.1	-125.6	-28.8	0	0	0	111
322	L	33.7	Very low	38.7	Very low	155 Å²	155	135.1 Å²	135.1	81%	0.812	81%	0.812	S	S	*	*			trans	-168.4	89.5	-172	-160.7	176.6	0	0	0	112.4
323	Q	39.8	Very low	38.2	Very low	183 Å²	183	135.6 Å²	135.6	86%	0.855	81%	0.813	S	S	*	*			trans	-173	170.1	162.7	-113.5	158.1	61.2	0	0	116.1
324	R	38.8	Very low	37.8	Very low	231 Å²	231	138.2 Å²	138.2	87%	0.872	81%	0.813	S	S	*	*			trans	72.5	140.4	-177.3	-47.1	178.6	-171.7	165.5	5	113
325	V	37.6	Very low	37.5	Very low	133 Å²	133	139 Å²	139	81%	0.806	82%	0.817	S	S	*	*			cis	-131.2	140.5	5.5	168.8	0	0	0	0	107.4
326	V	34.7	Very low	37.2	Very low	114 Å²	114	137.6 Å²	137.6	69%	0.691	81%	0.811	S	S	*	*			cis	101.2	122.7	19.3	178.3	0	0	0	0	114.6
327	S	35.5	Very low	36.8	Very low	116 Å²	116	143 Å²	143	81%	0.811	81%	0.812	S	S	*	*			trans	67	144.5	176.9	-67	0	0	0	0	117.4
328	S	38.9	Very low	36.4	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	82%	0.82	S	S	*	*			cis	-155.4	154.7	-4	48.2	0	0	0	0	111.7
329	S	32	Very low	36.6	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	82%	0.818	S	S	*	*			trans	-144.8	133.7	171.5	-61.2	0	0	0	0	112.1
330	P	46.7	Very low	36.3	Very low	131 Å²	131	145.3 Å²	145.3	85%	0.851	81%	0.813	S	S	*	*			trans	-76.6	154.6	165.6	-13.6	30.4	0	0	0	112.1
331	Q	35.2	Very low	36.5	Very low	181 Å²	181	145.4 Å²	145.4	85%	0.846	80%	0.804	S	S	*	*			trans	-104	152.9	178.6	-62.6	173.8	-16.6	0	0	111.6
332	L	31.5	Very low	36.5	Very low	172 Å²	172	145.1 Å²	145.1	90%	0.901	80%	0.798	S	S	*	*			trans	-132.2	155.5	151	-104.1	103	0	0	0	109.9
333	P	34.8	Very low	36.9	Very low	116 Å²	116	141.2 Å²	141.2	75%	0.753	79%	0.787	S	S	*	*			trans	-92	157.8	-142.7	33.8	-37.5	0	0	0	115.9
334	T	32.7	Very low	37.3	Very low	136 Å²	136	138.8 Å²	138.8	83%	0.834	78%	0.776	S	S	*	*			trans	-81	134.6	168.3	50.4	0	0	0	0	112
335	T	36.3	Very low	37.4	Very low	136 Å²	136	133 Å²	133	83%	0.834	76%	0.762	S	S	*	*			trans	-119.5	131.4	157.8	46.5	0	0	0	0	109.9
336	P	36.6	Very low	37.4	Very low	115 Å²	115	132.4 Å²	132.4	75%	0.747	75%	0.754	S	S	*	*			trans	-96.2	131.6	-176.5	34.6	-31.5	0	0	0	112.1
337	Y	31	Very low	38	Very low	210 Å²	210	132.4 Å²	132.4	82%	0.824	75%	0.747	S	S	*	*			trans	-148.6	84.9	154.3	-118.3	-73.8	0	0	0	112.1	K339	Y337-K339 HydrophobicContact CD1-CG 4.46Å; Y337-K339 HydrophobicContact CE1-CG 4.43Å
338	L	30.8	Very low	38.3	Very low	176 Å²	176	132.6 Å²	132.6	92%	0.921	73%	0.734	S	S	*	*			trans	-86.7	120.2	160.8	-93.7	158.5	0	0	0	108.5
339	K	41.3	Very low	38.5	Very low	170 Å²	170	133 Å²	133	74%	0.739	73%	0.727	S	S	*	*			trans	-125.5	134.4	154.6	-84.6	-167.2	169	-174.5	0	108.4	Y337	Y337-K339 HydrophobicContact CD1-CG 4.46Å; Y337-K339 HydrophobicContact CE1-CG 4.43Å
340	A	34.4	Very low	38.7	Very low	90 Å²	90	131.1 Å²	131.1	74%	0.744	71%	0.714	S	S	*	*			trans	-86.3	125.5	-177.8	0	0	0	0	0	110.4
341	T	44.9	Very low	38.5	Very low	89 Å²	89	132.9 Å²	132.9	55%	0.546	70%	0.704	S	S	.	*			trans	-144.4	-32.3	170.6	50.3	0	0	0	0	113	A343 E344 D345	T341-A343 PolarHBondContact O-N 3.31Å; T341-E344 PolarHBondContact O-N 3.15Å; T341-D345 PolarHBondContact O-N 3.24Å
342	E	40.3	Very low	38.8	Very low	168 Å²	168	134.5 Å²	134.5	79%	0.785	70%	0.702	S	S	*	*	H	α-helix	trans	-61.7	-15.6	-178.3	-69.4	-168.6	121.3	0	0	115.1
343	A	42.1	Very low	39.1	Very low	72 Å²	72	129.7 Å²	129.7	60%	0.595	69%	0.688	S	S	*	*	H	α-helix	trans	-78	-28.3	174.1	0	0	0	0	0	113.3	T341	T341-A343 PolarHBondContact O-N 3.31Å
344	E	46.4	Very low	39.2	Very low	132 Å²	132	132.9 Å²	132.9	62%	0.617	69%	0.692	S	S	*	*	H	α-helix	trans	-92	-33.3	-173	-62.4	-173.6	134.2	0	0	112	T341 L346 Q347 H348	T341-E344 PolarHBondContact O-N 3.15Å; E344-L346 PolarHBondContact O-N 3.26Å; E344-Q347 CarbonylContact O-C 3.57Å; E344-Q347 WeakPolarHBondContact O-CA 3.26Å; E344-Q347 PolarHBondContact O-N 3.18Å; E344-H348 PolarHBondContact O-N 2.81Å
345	D	41.3	Very low	39.4	Very low	109 Å²	109	132.5 Å²	132.5	58%	0.583	69%	0.689	S	S	*	*	H	α-helix	trans	-57.6	-35.6	171.4	-102.4	-34.6	0	0	0	111.9	T341 Q347 H348 L349	T341-D345 PolarHBondContact O-N 3.24Å; D345-Q347 VanDerWaalsContact C-N 3.33Å; D345-Q347 PolarHBondContact O-N 3.25Å; D345-H348 PolarHBondContact O-N 3.4Å; D345-L349 WeakPolarHBondContact O-CB 3.43Å; D345-L349 WeakPolarHBondContact O-CG 3.3Å; D345-L349 PolarHBondContact O-N 2.93Å
346	L	39.1	Very low	39.6	Very low	122 Å²	122	134.8 Å²	134.8	64%	0.639	69%	0.688	S	S	*	*	H	α-helix	trans	-66.4	-31.2	173.7	-74.8	168.5	0	0	0	112.9	E344 S350	E344-L346 PolarHBondContact O-N 3.26Å; L346-S350 PolarHBondContact O-N 2.78Å
347	Q	46.8	Very low	40	Very low	114 Å²	114	134 Å²	134	53%	0.533	68%	0.683	S	S	.	*	H	α-helix	trans	-81.8	-18.4	172.2	-68.9	-163.3	0.4	0	0	114	E344 D345 S350 R351	E344-Q347 CarbonylContact O-C 3.57Å; E344-Q347 WeakPolarHBondContact O-CA 3.26Å; E344-Q347 PolarHBondContact O-N 3.18Å; D345-Q347 VanDerWaalsContact C-N 3.33Å; D345-Q347 PolarHBondContact O-N 3.25Å; Q347-S350 PolarHBondContact O-OG 3.41Å; Q347-R351 PolarHBondContact O-NE 2.88Å
348	H	41.4	Very low	40.6	Very low	119 Å²	119	134.4 Å²	134.4	55%	0.551	69%	0.689	S	S	*	*	H	α-helix	trans	-83.6	-27	169.8	-99.9	-73.3	0	0	0	112.7	E344 D345	E344-H348 PolarHBondContact O-N 2.81Å; D345-H348 PolarHBondContact O-N 3.4Å
349	L	42	Very low	41.6	Very low	119 Å²	119	128 Å²	128	62%	0.623	66%	0.655	S	S	*	*	H	α-helix	trans	-71.7	-39.8	171	-76.8	165.4	0	0	0	112.4	D345 R352	D345-L349 WeakPolarHBondContact O-CB 3.43Å; D345-L349 WeakPolarHBondContact O-CG 3.3Å; D345-L349 PolarHBondContact O-N 2.93Å; L349-R352 PolarHBondContact O-N 2.04Å
350	S	37.5	Very low	42.2	Very low	76 Å²	76	124.7 Å²	124.7	53%	0.531	65%	0.646	S	S	.	*	H	α-helix	trans	-65.8	-41.5	176.3	62.6	0	0	0	0	112.7	L346 Q347 R352 A353	L346-S350 PolarHBondContact O-N 2.78Å; Q347-S350 PolarHBondContact O-OG 3.41Å; S350-R352 PolarHBondContact O-N 2.83Å; S350-R352 VanDerWaalsContact O-N 3.12Å; S350-A353 WeakPolarHBondContact O-CB 3.43Å; S350-A353 PolarHBondContact O-N 2.92Å
351	R	41.7	Very low	43	Very low	169 Å²	169	127.2 Å²	127.2	64%	0.638	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	0.3	178.5	-78	-177.3	-84.8	-163.4	-6.2	115.2	Q347	Q347-R351 PolarHBondContact O-NE 2.88Å
352	R	41	Very low	43.4	Very low	214 Å²	214	134.5 Å²	134.5	81%	0.808	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	6	177.5	-129	174.9	-170.4	141	6.3	114.3	L349 S350	L349-R352 PolarHBondContact O-N 2.04Å; S350-R352 PolarHBondContact O-N 2.83Å; S350-R352 VanDerWaalsContact O-N 3.12Å
353	A	39	Very low	44.2	Very low	72 Å²	72	134.2 Å²	134.2	60%	0.595	66%	0.655	S	S	*	*			trans	-88.6	-8.6	-164.1	0	0	0	0	0	116.8	S350	S350-A353 WeakPolarHBondContact O-CB 3.43Å; S350-A353 PolarHBondContact O-N 2.92Å
354	E	35.9	Very low	44.9	Very low	182 Å²	182	132 Å²	132	85%	0.85	64%	0.636	S	S	*	*			trans	-98	-8.7	-162.7	-60.5	-159.9	119.6	0	0	116.5	K356	E354-K356 VanDerWaalsContact C-N 3.29Å; E354-K356 PolarHBondContact O-N 3.29Å
355	V	37	Very low	45.7	Very low	128 Å²	128	135.9 Å²	135.9	78%	0.776	65%	0.645	S	S	*	*			trans	-80.3	75.8	176.1	-171	0	0	0	0	110.7	P357	V355-P357 VanDerWaalsContact O-CD 3.3Å; V355-P357 WeakPolarHBondContact O-CD 3.5Å
356	K	41.6	Very low	47	Very low	184 Å²	184	136.1 Å²	136.1	80%	0.8	64%	0.637	S	S	*	*			trans	-75.7	114.8	173.5	-73.4	178.2	179.4	170.3	0	110.9	E354	E354-K356 VanDerWaalsContact C-N 3.29Å; E354-K356 PolarHBondContact O-N 3.29Å
357	P	45	Very low	48.4	Very low	98 Å²	98	135.5 Å²	135.5	64%	0.636	64%	0.641	S	S	*	*			trans	-67.7	139.1	169.7	29	-34.1	0	0	0	110.5	V355 I359	V355-P357 VanDerWaalsContact O-CD 3.3Å; V355-P357 WeakPolarHBondContact O-CD 3.5Å; P357-I359 PolarHBondContact O-N 2.94Å
358	K	42.8	Very low	49.8	Very low	220 Å²	220	133.6 Å²	133.6	96%	0.957	63%	0.634	S	S	*	*			trans	-72.4	90.9	176.9	-69.8	-174.6	178.5	179.1	0	110.8
359	I	52.8	Low	51.4	Low	42 Å²	42	128.1 Å²	128.1	22%	0.215	61%	0.609	C	S	.	*			trans	-80.8	123.4	174	-58.2	172.2	0	0	0	109.1	P357 E361 I373 Q374 W392	P357-I359 PolarHBondContact O-N 2.94Å; I359-E361 PolarHBondContact O-N 3.19Å; I359-I373 HydrophobicContact CD1-CB 4.09Å; I359-I373 HydrophobicContact CD1-CG2 3.63Å; I359-I373 HydrophobicContact CG1-CG2 4.41Å; I359-Q374 HydrophobicContact CD1-CG 4.18Å; I359-W392 HydrophobicContact CG2-CZ3 4.12Å
360	N	52.3	Low	53	Low	100 Å²	100	123.6 Å²	123.6	54%	0.535	59%	0.586	S	S	.	*			trans	-83.2	95.9	176.8	-173.4	-18.7	0	0	0	110.6	R362 W392	N360-R362 PolarHBondContact O-N 3.15Å; N360-R362 VanDerWaalsContact O-N 3.14Å; N360-R362 PolarHBondContact OD1-N 2.98Å; N360-W392 WeakPolarHBondContact O-CH2 3.27Å
361	E	52.8	Low	54.7	Low	143 Å²	143	122.9 Å²	122.9	67%	0.668	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-54.1	-34.8	-173.3	-59.3	-179.4	149.2	0	0	113.8	I359 K363 C364	I359-E361 PolarHBondContact O-N 3.19Å; E361-K363 PolarHBondContact O-N 2.98Å; E361-C364 PolarHBondContact O-N 2.72Å
362	R	53.4	Low	56.4	Low	242 Å²	242	118 Å²	118	91%	0.913	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-61.8	-18.7	-170.2	-64.2	-169	-175.7	-167	3.1	115.4	N360	N360-R362 PolarHBondContact O-N 3.15Å; N360-R362 VanDerWaalsContact O-N 3.14Å; N360-R362 PolarHBondContact OD1-N 2.98Å
363	K	55.6	Low	58	Low	161 Å²	161	109.3 Å²	109.3	70%	0.7	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-95.6	-10	178.4	-68	179.6	174.3	-177.9	0	113.5	E361 R365 W392	E361-K363 PolarHBondContact O-N 2.98Å; K363-R365 PolarHBondContact O-N 3.37Å; K363-R365 VanDerWaalsContact O-N 3.15Å; K363-W392 HydrophobicContact CB-CH2 3.6Å; K363-W392 HydrophobicContact CB-CZ2 3.37Å; K363-W392 WeakPolarHBondContact O-CZ2 3.24Å
364	C	56.5	Low	59.5	Low	27 Å²	27	112.5 Å²	112.5	18%	0.182	53%	0.532	C	S	.	.			trans	-76	102.8	-171.6	-107.1	0	0	0	0	112.8	E361 R366 V370 W392	E361-C364 PolarHBondContact O-N 2.72Å; C364-R366 PolarHBondContact O-N 3.37Å; C364-V370 HydrophobicContact CB-CG2 4.18Å; C364-W392 HydrophobicContact CB-CH2 4.1Å; C364-W392 HydrophobicContact CB-CZ2 4.3Å; C364-W392 VanDerWaalsContact SG-CH2 3.51Å; C364-W392 WeakPolarHBondContact SG-CZ3 3.3Å
365	R	63.2	Low	61.2	Low	213 Å²	213	110.9 Å²	110.9	80%	0.804	52%	0.522	S	S	*	.	S	Bend	trans	-68	-0.4	179	-69.9	-167.7	178.6	-152.1	1	115.4	K363	K363-R365 PolarHBondContact O-N 3.37Å; K363-R365 VanDerWaalsContact O-N 3.15Å
366	R	69.4	Low	63	Low	113 Å²	113	105.9 Å²	105.9	43%	0.426	50%	0.497	S	S	.	.	S	Bend	trans	-142.9	127.4	176.8	-115.3	-176.5	176.2	128.6	0.9	109.1	C364 D368 C369	C364-R366 PolarHBondContact O-N 3.37Å; R366-D368 VanDerWaalsContact C-N 3.25Å; R366-D368 PolarHBondContact O-N 3.08Å; R366-C369 HydrophobicContact CB-CB 4.46Å; R366-C369 WeakPolarHBondContact CB-SG 3.4Å; R366-C369 WeakPolarHBondContact O-CB 3.18Å; R366-C369 PolarHBondContact O-N 3.31Å
367	P	69.5	Low	64.4	Low	110 Å²	110	99 Å²	99	71%	0.714	47%	0.468	S	S	*	.	H	α-helix	trans	-56.6	-39.6	177.9	-26.2	35.3	0	0	0	112.9	C369 V370	P367-C369 PolarHBondContact O-N 3.14Å; P367-V370 PolarHBondContact O-N 3.03Å
368	D	74.2	Confident	65.8	Low	74 Å²	74	94.6 Å²	94.6	40%	0.396	44%	0.439	S	S	.	.	H	α-helix	trans	-62.6	-26.2	-177.4	-47.5	-73.6	0	0	0	113.4	R366 V370 T371 W372	R366-D368 VanDerWaalsContact C-N 3.25Å; R366-D368 PolarHBondContact O-N 3.08Å; D368-V370 VanDerWaalsContact C-N 3.3Å; D368-V370 PolarHBondContact O-N 2.92Å; D368-T371 PolarHBondContact O-N 3.02Å; D368-W372 HydrophobicContact CB-CD2 4.13Å; D368-W372 HydrophobicContact CB-CH2 4.06Å; D368-W372 HydrophobicContact CB-CZ2 3.58Å; D368-W372 PolarHBondContact O-N 2.72Å
369	C	76	Confident	67.1	Low	3 Å²	3	90.1 Å²	90.1	2%	0.02	42%	0.422	C	S	.	.	H	α-helix	trans	-60.1	-38.6	-176.8	-69.6	0	0	0	0	112.3	R366 P367 W372 I373 C389	R366-C369 HydrophobicContact CB-CB 4.46Å; R366-C369 WeakPolarHBondContact CB-SG 3.4Å; R366-C369 WeakPolarHBondContact O-CB 3.18Å; R366-C369 PolarHBondContact O-N 3.31Å; P367-C369 PolarHBondContact O-N 3.14Å; C369-W372 PolarHBondContact O-N 3.33Å; C369-I373 WeakPolarHBondContact O-CD1 3.41Å; C369-I373 WeakPolarHBondContact O-CG1 3.2Å; C369-I373 PolarHBondContact O-N 3.05Å; C369-C389 VanDerWaalsContact CA-SG 3.6Å; C369-C389 HydrophobicContact CB-CB 3.89Å; C369-C389 WeakPolarHBondContact CB-SG 3.33Å; C369-C389 WeakPolarHBondContact SG-CB 3.24Å; C369-C389 CovalentContact SG-SG 2.04Å; C369-C389 PolarHBondContact SG-SG 2.87Å
370	V	76.5	Confident	67.4	Low	24 Å²	24	90.7 Å²	90.7	15%	0.145	43%	0.427	C	S	.	.	H	α-helix	trans	-63.4	-47.8	177.7	-178	0	0	0	0	110.1	C364 P367 D368 W372 I373 Q374	C364-V370 HydrophobicContact CB-CG2 4.18Å; P367-V370 PolarHBondContact O-N 3.03Å; D368-V370 VanDerWaalsContact C-N 3.3Å; D368-V370 PolarHBondContact O-N 2.92Å; V370-W372 VanDerWaalsContact C-N 3.3Å; V370-W372 PolarHBondContact O-N 3.32Å; V370-I373 PolarHBondContact O-N 3.48Å; V370-Q374 WeakPolarHBondContact O-CG 3.21Å; V370-Q374 PolarHBondContact O-N 3.3Å
371	T	72.8	Confident	67.9	Low	62 Å²	62	86.5 Å²	86.5	38%	0.38	40%	0.404	S	S	.	.	H	α-helix	trans	-62.5	-35.4	176.6	-50.9	0	0	0	0	112.4	D368 K375	D368-T371 PolarHBondContact O-N 3.02Å; T371-K375 HydrophobicContact CG2-CD 4.2Å; T371-K375 WeakPolarHBondContact O-CB 3.44Å; T371-K375 VanDerWaalsContact O-CG 3.29Å; T371-K375 WeakPolarHBondContact O-CG 3.37Å; T371-K375 PolarHBondContact O-N 2.94Å
372	W	77.7	Confident	68.7	Low	65 Å²	65	85.6 Å²	85.6	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-72	-42.4	177.3	-65.1	-10.3	0	0	0	112.3	D368 C369 V370 Q374 K375 G376 Q377 M385 L388	D368-W372 HydrophobicContact CB-CD2 4.13Å; D368-W372 HydrophobicContact CB-CH2 4.06Å; D368-W372 HydrophobicContact CB-CZ2 3.58Å; D368-W372 PolarHBondContact O-N 2.72Å; C369-W372 PolarHBondContact O-N 3.33Å; V370-W372 VanDerWaalsContact C-N 3.3Å; V370-W372 PolarHBondContact O-N 3.32Å; W372-Q374 VanDerWaalsContact C-N 3.35Å; W372-Q374 PolarHBondContact O-N 3.14Å; W372-K375 CarbonylContact O-C 3.57Å; W372-K375 PolarHBondContact O-N 2.83Å; W372-K375 VanDerWaalsContact O-N 3.14Å; W372-G376 PolarHBondContact O-N 3.15Å; W372-Q377 HydrophobicContact CB-CB 3.96Å; W372-Q377 HydrophobicContact CB-CG 3.8Å; W372-Q377 HydrophobicContact CG-CG 4.36Å; W372-Q377 WeakPolarHBondContact O-CB 3.45Å; W372-Q377 WeakPolarHBondContact O-CG 3.05Å; W372-Q377 PolarHBondContact O-N 3.04Å; W372-M385 HydrophobicContact CB-CE 3.79Å; W372-M385 HydrophobicContact CB-SD 3.79Å; W372-M385 HydrophobicContact CD2-SD 4.41Å; W372-M385 HydrophobicContact CE3-CE 4.47Å; W372-M385 HydrophobicContact CE3-SD 3.83Å; W372-M385 HydrophobicContact CG-SD 4.46Å; W372-L388 HydrophobicContact CH2-CD1 3.82Å; W372-L388 HydrophobicContact CZ3-CB 3.91Å; W372-L388 HydrophobicContact CZ3-CD1 3.65Å; W372-L388 HydrophobicContact CZ3-CG 4.46Å
373	I	74.3	Confident	69.3	Low	32 Å²	32	77.6 Å²	77.6	16%	0.164	39%	0.386	C	S	.	.	H	α-helix	trans	-60.4	-46.4	174.3	-64.6	159.7	0	0	0	110.1	I359 C369 V370 K375 G376 M385 W392	I359-I373 HydrophobicContact CD1-CB 4.09Å; I359-I373 HydrophobicContact CD1-CG2 3.63Å; I359-I373 HydrophobicContact CG1-CG2 4.41Å; C369-I373 WeakPolarHBondContact O-CD1 3.41Å; C369-I373 WeakPolarHBondContact O-CG1 3.2Å; C369-I373 PolarHBondContact O-N 3.05Å; V370-I373 PolarHBondContact O-N 3.48Å; I373-K375 VanDerWaalsContact C-N 3.26Å; I373-K375 PolarHBondContact O-N 2.92Å; I373-G376 PolarHBondContact O-N 3.12Å; I373-G376 VanDerWaalsContact O-N 3.08Å; I373-M385 HydrophobicContact CG1-CE 3.77Å; I373-W392 HydrophobicContact CD1-CB 4.09Å; I373-W392 HydrophobicContact CD1-CE3 3.91Å
374	Q	71	Confident	69.9	Low	139 Å²	139	72.4 Å²	72.4	65%	0.65	37%	0.365	S	S	*	.	H	α-helix	trans	-60.8	-32.2	175.2	-71.1	172.9	-4.3	0	0	113.1	I359 V370 W372 G376	I359-Q374 HydrophobicContact CD1-CG 4.18Å; V370-Q374 WeakPolarHBondContact O-CG 3.21Å; V370-Q374 PolarHBondContact O-N 3.3Å; W372-Q374 VanDerWaalsContact C-N 3.35Å; W372-Q374 PolarHBondContact O-N 3.14Å; Q374-G376 VanDerWaalsContact C-N 3.26Å; Q374-G376 PolarHBondContact O-N 3.36Å
375	K	70.7	Confident	70.8	Confident	148 Å²	148	71.2 Å²	71.2	64%	0.643	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	25.4	174.6	-69.5	-179.3	179.7	-175.6	0	113.6	T371 W372 I373 Q377	T371-K375 HydrophobicContact CG2-CD 4.2Å; T371-K375 WeakPolarHBondContact O-CB 3.44Å; T371-K375 VanDerWaalsContact O-CG 3.29Å; T371-K375 WeakPolarHBondContact O-CG 3.37Å; T371-K375 PolarHBondContact O-N 2.94Å; W372-K375 CarbonylContact O-C 3.57Å; W372-K375 PolarHBondContact O-N 2.83Å; W372-K375 VanDerWaalsContact O-N 3.14Å; I373-K375 VanDerWaalsContact C-N 3.26Å; I373-K375 PolarHBondContact O-N 2.92Å; K375-Q377 HydrophobicContact CB-CG 4.5Å; K375-Q377 PolarHBondContact O-N 3.1Å; K375-Q377 VanDerWaalsContact O-N 3.15Å; K375-Q377 PolarHBondContact O-NE2 2.04Å
376	G	75.7	Confident	71.1	Confident	23 Å²	23	63.6 Å²	63.6	24%	0.237	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	21.9	173	0	0	0	0	0	114.9	W372 I373 Q374 C378 Q379 V380	W372-G376 PolarHBondContact O-N 3.15Å; I373-G376 PolarHBondContact O-N 3.12Å; I373-G376 VanDerWaalsContact O-N 3.08Å; Q374-G376 VanDerWaalsContact C-N 3.26Å; Q374-G376 PolarHBondContact O-N 3.36Å; G376-C378 PolarHBondContact O-N 3Å; G376-Q379 VanDerWaalsContact C-OE1 3.27Å; G376-Q379 VanDerWaalsContact CA-OE1 3.31Å; G376-Q379 PolarHBondContact O-N 3.36Å; G376-Q379 PolarHBondContact O-OE1 3.17Å; G376-Q379 VanDerWaalsContact O-OE1 3.1Å; G376-V380 PolarHBondContact O-N 3.01Å
377	Q	71	Confident	71.2	Confident	40 Å²	40	64.6 Å²	64.6	19%	0.187	35%	0.349	C	S	.	.	H	α-helix	trans	-70.6	-15.8	-175.1	-62.8	-55.6	-68.9	0	0	113.1	W372 K375 N381 M385	W372-Q377 HydrophobicContact CB-CB 3.96Å; W372-Q377 HydrophobicContact CB-CG 3.8Å; W372-Q377 HydrophobicContact CG-CG 4.36Å; W372-Q377 WeakPolarHBondContact O-CB 3.45Å; W372-Q377 WeakPolarHBondContact O-CG 3.05Å; W372-Q377 PolarHBondContact O-N 3.04Å; K375-Q377 HydrophobicContact CB-CG 4.5Å; K375-Q377 PolarHBondContact O-N 3.1Å; K375-Q377 VanDerWaalsContact O-N 3.15Å; K375-Q377 PolarHBondContact O-NE2 2.04Å; Q377-N381 HydrophobicContact CB-CB 4.4Å; Q377-N381 CarbonylContact O-C 3.09Å; Q377-N381 VanDerWaalsContact O-CA 3.24Å; Q377-N381 WeakPolarHBondContact O-CA 3.29Å; Q377-N381 VanDerWaalsContact O-CB 3.27Å; Q377-N381 WeakPolarHBondContact O-CB 3.26Å; Q377-N381 PolarHBondContact O-N 2.87Å; Q377-N381 PolarHBondContact OE1-ND2 2.84Å; Q377-M385 HydrophobicContact CB-CE 4.39Å; Q377-M385 HydrophobicContact CB-CG 3.9Å; Q377-M385 HydrophobicContact CB-SD 3.63Å; Q377-M385 VanDerWaalsContact O-CG 3.3Å; Q377-M385 WeakPolarHBondContact O-CG 3.04Å
378	C	72.6	Confident	71.4	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-69.4	-34.6	171.6	-77.4	0	0	0	0	113.2	G376 Q382 C393	G376-C378 PolarHBondContact O-N 3Å; C378-Q382 WeakPolarHBondContact O-CB 3.48Å; C378-C393 WeakPolarHBondContact CA-SG 3.32Å; C378-C393 HydrophobicContact CB-CB 3.54Å; C378-C393 WeakPolarHBondContact CB-SG 3.26Å; C378-C393 WeakPolarHBondContact SG-CA 3.4Å; C378-C393 WeakPolarHBondContact SG-CB 3.41Å; C378-C393 CovalentContact SG-SG 2.04Å; C378-C393 PolarHBondContact SG-SG 2.84Å
379	Q	70.4	Confident	71.6	Confident	126 Å²	126	58.5 Å²	58.5	59%	0.589	31%	0.311	S	S	*	.	H	α-helix	trans	-82.6	-27.1	176.3	-60.7	84.4	-11.5	0	0	112.4	G376	G376-Q379 VanDerWaalsContact C-OE1 3.27Å; G376-Q379 VanDerWaalsContact CA-OE1 3.31Å; G376-Q379 PolarHBondContact O-N 3.36Å; G376-Q379 PolarHBondContact O-OE1 3.17Å; G376-Q379 VanDerWaalsContact O-OE1 3.1Å
380	V	59	Low	71.3	Confident	54 Å²	54	67.2 Å²	67.2	33%	0.327	34%	0.344	S	S	.	.	H	α-helix	trans	-93.3	-36.5	-177.4	170	0	0	0	0	113.3	G376 L449	G376-V380 PolarHBondContact O-N 3.01Å; V380-L449 WeakPolarHBondContact O-CD2 3.37Å
381	N	63.2	Low	70.7	Confident	11 Å²	11	66.9 Å²	66.9	6%	0.059	34%	0.344	C	S	.	.			trans	-136.7	32.2	-159.9	-102.2	-39.4	0	0	0	111.3	Q377 A383 L384 M385 L449	Q377-N381 HydrophobicContact CB-CB 4.4Å; Q377-N381 CarbonylContact O-C 3.09Å; Q377-N381 VanDerWaalsContact O-CA 3.24Å; Q377-N381 WeakPolarHBondContact O-CA 3.29Å; Q377-N381 VanDerWaalsContact O-CB 3.27Å; Q377-N381 WeakPolarHBondContact O-CB 3.26Å; Q377-N381 PolarHBondContact O-N 2.87Å; Q377-N381 PolarHBondContact OE1-ND2 2.84Å; N381-A383 PolarHBondContact O-N 3.18Å; N381-A383 VanDerWaalsContact O-N 3.14Å; N381-L384 HydrophobicContact CB-CB 4.32Å; N381-L384 WeakPolarHBondContact O-CA 3.46Å; N381-L384 WeakPolarHBondContact O-CB 3.14Å; N381-L384 PolarHBondContact O-N 3.25Å; N381-M385 HydrophobicContact CB-CG 4.45Å; N381-M385 PolarHBondContact O-N 3.18Å; N381-L449 WeakPolarHBondContact OD1-CD1 3.26Å
382	Q	70.8	Confident	70.5	Confident	125 Å²	125	67.2 Å²	67.2	58%	0.584	34%	0.339	S	S	*	.	H	α-helix	trans	-45.4	-51	-169.5	-166.3	-178.5	6.5	0	0	114.1	C378 L384 M385 S386	C378-Q382 WeakPolarHBondContact O-CB 3.48Å; Q382-L384 PolarHBondContact O-N 3.1Å; Q382-M385 PolarHBondContact O-N 3.25Å; Q382-S386 PolarHBondContact O-N 3.25Å; Q382-S386 PolarHBondContact O-OG 3.26Å
383	A	65.2	Low	70.1	Confident	73 Å²	73	64.5 Å²	64.5	60%	0.603	33%	0.33	S	S	*	.	H	α-helix	trans	-63.6	-37.9	179.3	0	0	0	0	0	113.4	N381 L387	N381-A383 PolarHBondContact O-N 3.18Å; N381-A383 VanDerWaalsContact O-N 3.14Å; A383-L387 WeakPolarHBondContact O-CB 3.45Å; A383-L387 PolarHBondContact O-N 3.19Å; A383-L387 VanDerWaalsContact O-N 3.11Å
384	L	67.3	Low	69.3	Low	52 Å²	52	70.2 Å²	70.2	27%	0.272	36%	0.356	S	S	.	.	H	α-helix	trans	-70.1	-37.5	176	-175.6	67.2	0	0	0	111.2	W142 N381 Q382 L387 L388	W142-L384 HydrophobicContact CH2-CD2 4.46Å; W142-L384 HydrophobicContact CZ2-CD2 3.57Å; N381-L384 HydrophobicContact CB-CB 4.32Å; N381-L384 WeakPolarHBondContact O-CA 3.46Å; N381-L384 WeakPolarHBondContact O-CB 3.14Å; N381-L384 PolarHBondContact O-N 3.25Å; Q382-L384 PolarHBondContact O-N 3.1Å; L384-L387 PolarHBondContact O-N 2.98Å; L384-L388 HydrophobicContact CD1-CD1 3.69Å; L384-L388 HydrophobicContact CD1-CG 3.97Å; L384-L388 HydrophobicContact CD2-CD1 4.47Å; L384-L388 HydrophobicContact CG-CD1 3.86Å; L384-L388 HydrophobicContact CG-CG 4.3Å; L384-L388 WeakPolarHBondContact O-CB 3.39Å; L384-L388 WeakPolarHBondContact O-CG 3.49Å; L384-L388 PolarHBondContact O-N 2.94Å
385	M	76.3	Confident	68.4	Low	3 Å²	3	70.8 Å²	70.8	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-67.5	-45.2	174.4	-69.7	-60.4	-67.2	0	0	111.5	W372 I373 Q377 N381 Q382 L387 L388 C389 C393	W372-M385 HydrophobicContact CB-CE 3.79Å; W372-M385 HydrophobicContact CB-SD 3.79Å; W372-M385 HydrophobicContact CD2-SD 4.41Å; W372-M385 HydrophobicContact CE3-CE 4.47Å; W372-M385 HydrophobicContact CE3-SD 3.83Å; W372-M385 HydrophobicContact CG-SD 4.46Å; I373-M385 HydrophobicContact CG1-CE 3.77Å; Q377-M385 HydrophobicContact CB-CE 4.39Å; Q377-M385 HydrophobicContact CB-CG 3.9Å; Q377-M385 HydrophobicContact CB-SD 3.63Å; Q377-M385 VanDerWaalsContact O-CG 3.3Å; Q377-M385 WeakPolarHBondContact O-CG 3.04Å; N381-M385 HydrophobicContact CB-CG 4.45Å; N381-M385 PolarHBondContact O-N 3.18Å; Q382-M385 PolarHBondContact O-N 3.25Å; M385-L387 PolarHBondContact O-N 3.18Å; M385-L388 PolarHBondContact O-N 3.03Å; M385-C389 HydrophobicContact CE-CB 4.13Å; M385-C389 CarbonylContact O-C 3.45Å; M385-C389 WeakPolarHBondContact O-CA 2.97Å; M385-C389 VanDerWaalsContact O-CB 3.26Å; M385-C389 WeakPolarHBondContact O-CB 3.04Å; M385-C389 PolarHBondContact O-N 2.98Å; M385-C393 WeakPolarHBondContact CB-SG 3.35Å
386	S	70.3	Confident	67.2	Low	52 Å²	52	65.7 Å²	65.7	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-59	-34.9	174.5	-64	0	0	0	0	112.4	Q382 R390	Q382-S386 PolarHBondContact O-N 3.25Å; Q382-S386 PolarHBondContact O-OG 3.26Å; S386-R390 VanDerWaalsContact O-CA 3.26Å; S386-R390 WeakPolarHBondContact O-CA 3.45Å; S386-R390 PolarHBondContact O-N 3.2Å
387	L	70.8	Confident	65.4	Low	134 Å²	134	68.5 Å²	68.5	70%	0.702	36%	0.362	S	S	*	.	H	α-helix	trans	-74.4	-51.9	176.7	-177.9	66.8	0	0	0	113.3	A383 L384 M385	A383-L387 WeakPolarHBondContact O-CB 3.45Å; A383-L387 PolarHBondContact O-N 3.19Å; A383-L387 VanDerWaalsContact O-N 3.11Å; L384-L387 PolarHBondContact O-N 2.98Å; M385-L387 PolarHBondContact O-N 3.18Å
388	L	74.3	Confident	63.6	Low	51 Å²	51	70.8 Å²	70.8	27%	0.267	38%	0.383	S	S	.	.	H	α-helix	trans	-83.8	-24.9	-173.6	-61.1	-176.6	0	0	0	113.4	W372 L384 M385	W372-L388 HydrophobicContact CH2-CD1 3.82Å; W372-L388 HydrophobicContact CZ3-CB 3.91Å; W372-L388 HydrophobicContact CZ3-CD1 3.65Å; W372-L388 HydrophobicContact CZ3-CG 4.46Å; L384-L388 HydrophobicContact CD1-CD1 3.69Å; L384-L388 HydrophobicContact CD1-CG 3.97Å; L384-L388 HydrophobicContact CD2-CD1 4.47Å; L384-L388 HydrophobicContact CG-CD1 3.86Å; L384-L388 HydrophobicContact CG-CG 4.3Å; L384-L388 WeakPolarHBondContact O-CB 3.39Å; L384-L388 WeakPolarHBondContact O-CG 3.49Å; L384-L388 PolarHBondContact O-N 2.94Å; M385-L388 PolarHBondContact O-N 3.03Å
389	C	78	Confident	61.8	Low	5 Å²	5	77.9 Å²	77.9	3%	0.034	42%	0.417	C	S	.	.	S	Bend	trans	-133.6	54.4	-176	-52.4	0	0	0	0	109.3	C369 M385 G391 W392	C369-C389 VanDerWaalsContact CA-SG 3.6Å; C369-C389 HydrophobicContact CB-CB 3.89Å; C369-C389 WeakPolarHBondContact CB-SG 3.33Å; C369-C389 WeakPolarHBondContact SG-CB 3.24Å; C369-C389 CovalentContact SG-SG 2.04Å; C369-C389 PolarHBondContact SG-SG 2.87Å; M385-C389 HydrophobicContact CE-CB 4.13Å; M385-C389 CarbonylContact O-C 3.45Å; M385-C389 WeakPolarHBondContact O-CA 2.97Å; M385-C389 VanDerWaalsContact O-CB 3.26Å; M385-C389 WeakPolarHBondContact O-CB 3.04Å; M385-C389 PolarHBondContact O-N 2.98Å; C389-G391 PolarHBondContact O-N 2.88Å; C389-W392 HydrophobicContact CB-CB 4.21Å; C389-W392 HydrophobicContact CB-CG 4.46Å; C389-W392 VanDerWaalsContact O-CB 3.26Å; C389-W392 WeakPolarHBondContact O-CB 3.36Å; C389-W392 PolarHBondContact O-N 3.41Å
390	R	69.9	Low	59.9	Low	187 Å²	187	74.4 Å²	74.4	71%	0.706	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	1.9	80.3	170.3	-62.1	-173.5	179.1	-149.5	-1.9	117.2	S386 W392	S386-R390 VanDerWaalsContact O-CA 3.26Å; S386-R390 WeakPolarHBondContact O-CA 3.45Å; S386-R390 PolarHBondContact O-N 3.2Å; R390-W392 PolarHBondContact O-N 2.79Å
391	G	63.6	Low	58.6	Low	16 Å²	16	78.6 Å²	78.6	17%	0.165	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	2.4	174	0	0	0	0	0	117	C389 C393 E394	C389-G391 PolarHBondContact O-N 2.88Å; G391-C393 PolarHBondContact O-N 2.04Å; G391-E394 VanDerWaalsContact CA-OE1 3.27Å; G391-E394 WeakPolarHBondContact CA-OE1 3.33Å; G391-E394 WeakPolarHBondContact O-CB 3.46Å; G391-E394 VanDerWaalsContact O-CD 3.25Å; G391-E394 WeakPolarHBondContact O-CG 3.03Å; G391-E394 PolarHBondContact O-N 2.89Å
392	W	67.7	Low	57.1	Low	70 Å²	70	88.8 Å²	88.8	27%	0.265	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	4.9	-169.8	-79	66.9	0	0	0	117	I359 N360 K363 C364 I373 C389 R390	I359-W392 HydrophobicContact CG2-CZ3 4.12Å; N360-W392 WeakPolarHBondContact O-CH2 3.27Å; K363-W392 HydrophobicContact CB-CH2 3.6Å; K363-W392 HydrophobicContact CB-CZ2 3.37Å; K363-W392 WeakPolarHBondContact O-CZ2 3.24Å; C364-W392 HydrophobicContact CB-CH2 4.1Å; C364-W392 HydrophobicContact CB-CZ2 4.3Å; C364-W392 VanDerWaalsContact SG-CH2 3.51Å; C364-W392 WeakPolarHBondContact SG-CZ3 3.3Å; I373-W392 HydrophobicContact CD1-CB 4.09Å; I373-W392 HydrophobicContact CD1-CE3 3.91Å; C389-W392 HydrophobicContact CB-CB 4.21Å; C389-W392 HydrophobicContact CB-CG 4.46Å; C389-W392 VanDerWaalsContact O-CB 3.26Å; C389-W392 WeakPolarHBondContact O-CB 3.36Å; C389-W392 PolarHBondContact O-N 3.41Å; R390-W392 PolarHBondContact O-N 2.79Å
393	C	69	Low	55.2	Low	8 Å²	8	94.1 Å²	94.1	5%	0.054	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-1.2	173.4	-59.6	0	0	0	0	113.5	C378 M385 G391 N395 S396	C378-C393 WeakPolarHBondContact CA-SG 3.32Å; C378-C393 HydrophobicContact CB-CB 3.54Å; C378-C393 WeakPolarHBondContact CB-SG 3.26Å; C378-C393 WeakPolarHBondContact SG-CA 3.4Å; C378-C393 WeakPolarHBondContact SG-CB 3.41Å; C378-C393 CovalentContact SG-SG 2.04Å; C378-C393 PolarHBondContact SG-SG 2.84Å; M385-C393 WeakPolarHBondContact CB-SG 3.35Å; G391-C393 PolarHBondContact O-N 2.04Å; C393-N395 PolarHBondContact O-N 3.43Å; C393-S396 PolarHBondContact O-N 3.39Å; C393-S396 PolarHBondContact O-OG 2.9Å
394	E	58	Low	53.8	Low	151 Å²	151	99.6 Å²	99.6	71%	0.706	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	68.6	170.4	-68.6	155.3	-141.3	0	0	110.8	G391	G391-E394 VanDerWaalsContact CA-OE1 3.27Å; G391-E394 WeakPolarHBondContact CA-OE1 3.33Å; G391-E394 WeakPolarHBondContact O-CB 3.46Å; G391-E394 VanDerWaalsContact O-CD 3.25Å; G391-E394 WeakPolarHBondContact O-CG 3.03Å; G391-E394 PolarHBondContact O-N 2.89Å
395	N	53.2	Low	52.1	Low	152 Å²	152	104.8 Å²	104.8	81%	0.813	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179.6	-8	158.9	-100.6	-57	0	0	0	113.1	C393 S397	C393-N395 PolarHBondContact O-N 3.43Å; N395-S397 VanDerWaalsContact C-N 3.33Å; N395-S397 PolarHBondContact O-N 2.8Å
396	S	44.1	Very low	50.1	Low	40 Å²	40	112.9 Å²	112.9	28%	0.28	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-80.7	-4.1	-176.2	52.3	0	0	0	0	115.7	C393	C393-S396 PolarHBondContact O-N 3.39Å; C393-S396 PolarHBondContact O-OG 2.9Å
397	S	38.4	Very low	48.2	Very low	83 Å²	83	116.1 Å²	116.1	58%	0.58	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-70.4	-32.4	-170.5	-49.4	0	0	0	0	114.2	N395 M399 G400	N395-S397 VanDerWaalsContact C-N 3.33Å; N395-S397 PolarHBondContact O-N 2.8Å; S397-M399 PolarHBondContact O-N 3.43Å; S397-G400 PolarHBondContact O-N 3.14Å
398	S	34.3	Very low	46.3	Very low	87 Å²	87	119 Å²	119	61%	0.608	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-68.1	-8.3	-170.8	58.2	0	0	0	0	115.8
399	M	33.6	Very low	44.3	Very low	155 Å²	155	119.9 Å²	119.9	76%	0.764	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-100.7	-0.3	171.9	-69.8	-158.5	-77.3	0	0	114.1	S397	S397-M399 PolarHBondContact O-N 3.43Å
400	G	31.6	Very low	42.2	Very low	54 Å²	54	127.1 Å²	127.1	56%	0.557	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-31.1	178.4	0	0	0	0	0	114.7	S397	S397-G400 PolarHBondContact O-N 3.14Å
401	E	31.8	Very low	40.5	Very low	141 Å²	141	126.3 Å²	126.3	66%	0.659	63%	0.627	S	S	*	*	S	Bend	trans	-94.6	-21.7	-163.4	-70.3	170.6	124.6	0	0	114.5	R403 K404	E401-R403 PolarHBondContact O-N 2.88Å; E401-K404 PolarHBondContact O-N 2.83Å
402	R	30.4	Very low	39.2	Very low	226 Å²	226	130.2 Å²	130.2	85%	0.853	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	19.9	174.6	-61	-168.1	-175.6	-144.4	0.5	114.6
403	R	31.6	Very low	37.4	Very low	236 Å²	236	134.9 Å²	134.9	89%	0.891	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	15.2	174.2	-142.1	176.3	-172.3	-172.9	-0.1	113.8	E401	E401-R403 PolarHBondContact O-N 2.88Å
404	K	35.9	Very low	35.8	Very low	189 Å²	189	140.9 Å²	140.9	82%	0.822	71%	0.714	S	S	*	*	S	Bend	trans	-116.3	6.8	170.8	-68	-172.1	176.9	179.9	0	113.9	E401	E401-K404 PolarHBondContact O-N 2.83Å
405	Q	32.1	Very low	34.6	Very low	160 Å²	160	138.5 Å²	138.5	75%	0.748	71%	0.714	S	S	*	*			trans	-121	65	-175.4	-72.4	-180	-27.2	0	0	112.1
406	H	32.9	Very low	33.8	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.806	71%	0.708	S	S	*	*			trans	-147.7	99.6	152.8	-83.3	-72.3	0	0	0	104.5
407	T	30.2	Very low	33.3	Very low	120 Å²	120	141.5 Å²	141.5	74%	0.736	74%	0.735	S	S	*	*				52.5	121	90.1	63.1	0	0	0	0	111.7
408	F	31.3	Very low	33.4	Very low	195 Å²	195	142.2 Å²	142.2	86%	0.855	74%	0.738	S	S	*	*			cis	-147.7	167.4	47.5	-167.6	-109.8	0	0	0	114.7
409	S	32.3	Very low	33.4	Very low	69 Å²	69	145.8 Å²	145.8	48%	0.483	75%	0.75	S	S	.	*			trans	-38	165.7	167.4	-65.9	0	0	0	0	117.5
410	Q	35.4	Very low	33.4	Very low	156 Å²	156	146.6 Å²	146.6	73%	0.729	75%	0.752	S	S	*	*			cis	-160.4	171.4	-5.4	-102.2	150	-7	0	0	105.6
411	H	33.1	Very low	33.7	Very low	171 Å²	171	148.2 Å²	148.2	79%	0.792	75%	0.753	S	S	*	*			cis	-153.2	172.7	39.5	-97.1	-86.3	0	0	0	111.9
412	P	35.8	Very low	33.7	Very low	98 Å²	98	152.2 Å²	152.2	64%	0.636	76%	0.762	S	S	*	*			trans	-125.9	152.5	-164.6	32.8	-13.5	0	0	0	118.9
413	L	30.7	Very low	33.7	Very low	168 Å²	168	146.7 Å²	146.7	88%	0.88	75%	0.753	S	S	*	*			trans	62.5	135.8	138.6	-64	169.9	0	0	0	123.8
414	V	35.1	Very low	33.8	Very low	133 Å²	133	146.2 Å²	146.2	81%	0.806	75%	0.751	S	S	*	*				-177.8	114.7	126.4	148.5	0	0	0	0	105.2
415	S	32.3	Very low	33.8	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	75%	0.749	S	S	*	*				63.6	137.8	75.8	-146	0	0	0	0	113.4
416	S	36.7	Very low	33.9	Very low	98 Å²	98	142 Å²	142	69%	0.685	75%	0.747	S	S	*	*			cis	-160.7	134.9	1	5	0	0	0	0	109
417	N	34.9	Very low	34	Very low	157 Å²	157	142.8 Å²	142.8	84%	0.84	75%	0.752	S	S	*	*				84.4	177.3	100	-131.8	22.5	0	0	0	113.6
418	P	38.8	Very low	34.2	Very low	98 Å²	98	144 Å²	144	64%	0.636	75%	0.752	S	S	*	*				-131.9	-179.5	-121.3	40.9	-21.4	0	0	0	116.1
419	D	35.3	Very low	34.3	Very low	163 Å²	163	142.1 Å²	142.1	87%	0.872	75%	0.75	S	S	*	*			trans	-162.7	176.2	138	-118.9	-35.5	0	0	0	115.5
420	Q	32.4	Very low	34.4	Very low	172 Å²	172	144.6 Å²	144.6	80%	0.804	76%	0.764	S	S	*	*			trans	-149	-170.5	-168.6	-113.1	-163.8	27	0	0	110.7
421	P	38	Very low	34.2	Very low	88 Å²	88	142.7 Å²	142.7	57%	0.571	77%	0.768	S	S	*	*			cis	-137.2	-162.8	-38.3	35.6	-15.4	0	0	0	113.6
422	R	31.9	Very low	34.4	Very low	225 Å²	225	143 Å²	143	85%	0.849	77%	0.769	S	S	*	*			trans	78.1	156.4	156.8	-70	172.9	-179.4	-171.8	1.7	117.7
423	T	32.1	Very low	34	Very low	109 Å²	109	147.3 Å²	147.3	67%	0.669	78%	0.781	S	S	*	*			cis	-155.2	145.5	4.7	-8.1	0	0	0	0	113.6
424	R	32.2	Very low	33.9	Very low	227 Å²	227	143.9 Å²	143.9	86%	0.857	77%	0.771	S	S	*	*			trans	51.6	159.9	144.8	-75.1	171.5	-178.1	-177.8	-0	119.5
425	T	35.4	Very low	33.6	Very low	127 Å²	127	147.1 Å²	147.1	78%	0.779	78%	0.777	S	S	*	*			cis	-151.6	163	34.7	-48	0	0	0	0	114.1
426	N	34.3	Very low	33.5	Very low	132 Å²	132	147 Å²	147	71%	0.706	78%	0.776	S	S	*	*			trans	-55.9	162.2	-174.8	-35.4	-26.9	0	0	0	118.2
427	Q	36.3	Very low	33.4	Very low	191 Å²	191	149 Å²	149	89%	0.893	79%	0.785	S	S	*	*				-151.4	178.4	125.1	-111.7	-179.9	30.8	0	0	111.6
428	I	33.4	Very low	33.1	Very low	147 Å²	147	149.8 Å²	149.8	75%	0.754	79%	0.789	S	S	*	*			trans	-145.5	179.3	-164.6	4.5	174.4	0	0	0	109.7
429	I	34.4	Very low	32.9	Very low	155 Å²	155	148.1 Å²	148.1	80%	0.795	79%	0.789	S	S	*	*			cis	-138.9	-158.2	31.1	-6.3	177.9	0	0	0	110.6
430	P	33.2	Very low	33.2	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	78%	0.784	S	S	*	*			trans	-116.6	173.3	-155.1	45	-32.8	0	0	0	117.1
431	S	31.9	Very low	34.1	Very low	116 Å²	116	144.5 Å²	144.5	81%	0.811	79%	0.785	S	S	*	*			trans	-150	139.1	154.5	57.8	0	0	0	0	114.3
432	H	36.7	Very low	35.5	Very low	177 Å²	177	142.9 Å²	142.9	82%	0.819	78%	0.776	S	S	*	*			trans	18.1	92	167.9	-73.6	-88.4	0	0	0	121.7	S434	H432-S434 PolarHBondContact O-N 3.45Å
433	Q	27.3	Very low	37.9	Very low	189 Å²	189	133.6 Å²	133.6	88%	0.883	75%	0.745	S	S	*	*				38.2	78.5	127.8	-65.7	-177.8	-12.2	0	0	118.1
434	S	29.9	Very low	40.7	Very low	97 Å²	97	132 Å²	132	68%	0.678	73%	0.731	S	S	*	*			trans	-95.5	142.1	142.6	55.1	0	0	0	0	109.1	H432 S436	H432-S434 PolarHBondContact O-N 3.45Å; S434-S436 PolarHBondContact O-N 2.76Å; S434-S436 PolarHBondContact O-OG 3.27Å
435	E	28.9	Very low	43.5	Very low	201 Å²	201	123.5 Å²	123.5	94%	0.939	70%	0.703	S	S	*	*			trans	-70.4	78.4	171.1	-73.3	-167.2	126	0	0	110.3	T437	E435-T437 PolarHBondContact O-N 3.24Å
436	S	28.6	Very low	46	Very low	97 Å²	97	122.1 Å²	122.1	68%	0.678	69%	0.686	S	S	*	*			trans	-86.2	93	-180	42.1	0	0	0	0	110.3	S434 N438	S434-S436 PolarHBondContact O-N 2.76Å; S434-S436 PolarHBondContact O-OG 3.27Å; S436-N438 VanDerWaalsContact C-N 3.27Å; S436-N438 PolarHBondContact O-N 2.87Å
437	T	35.1	Very low	48.3	Very low	142 Å²	142	118.6 Å²	118.6	87%	0.871	67%	0.665	S	S	*	*			trans	-68.1	88.2	168.3	51.8	0	0	0	0	109.9	E435 G439	E435-T437 PolarHBondContact O-N 3.24Å; T437-G439 PolarHBondContact O-N 3.42Å
438	N	29.7	Very low	50.7	Low	172 Å²	172	114.5 Å²	114.5	92%	0.92	66%	0.655	S	S	*	*			trans	-62.7	113.2	178.3	-155.2	-4.1	0	0	0	109.5	S436	S436-N438 VanDerWaalsContact C-N 3.27Å; S436-N438 PolarHBondContact O-N 2.87Å
439	G	33.6	Very low	53	Low	63 Å²	63	108.2 Å²	108.2	65%	0.649	62%	0.623	S	S	*	*			trans	175.1	68.1	-167.6	0	0	0	0	0	116.6	T437	T437-G439 PolarHBondContact O-N 3.42Å
440	N	41.6	Very low	55.6	Low	143 Å²	143	100.9 Å²	100.9	77%	0.765	59%	0.585	S	S	*	*			trans	38.6	96	156.3	-167.5	4.5	0	0	0	116.8	S442	N440-S442 PolarHBondContact O-N 3Å
441	S	52.5	Low	58.2	Low	117 Å²	117	98.1 Å²	98.1	82%	0.818	57%	0.569	S	S	*	*			trans	-71	51.9	-177.7	49.6	0	0	0	0	114.9	C443	S441-C443 PolarHBondContact O-N 3.29Å
442	S	66.4	Low	60.6	Low	54 Å²	54	94 Å²	94	38%	0.378	54%	0.537	S	S	.	.			trans	-62.7	126.9	177.4	60.2	0	0	0	0	112.2	N440 I444	N440-S442 PolarHBondContact O-N 3Å; S442-I444 PolarHBondContact O-N 3.45Å
443	C	83.3	Confident	62.8	Low	29 Å²	29	87.1 Å²	87.1	20%	0.196	50%	0.504	C	S	.	.			trans	-68.4	92.6	171.8	170	0	0	0	0	110.2	S441 R472 C479	S441-C443 PolarHBondContact O-N 3.29Å; C443-R472 VanDerWaalsContact SG-CA 3.57Å; C443-C479 HydrophobicContact CB-CB 3.76Å; C443-C479 WeakPolarHBondContact CB-SG 2.94Å; C443-C479 WeakPolarHBondContact SG-CB 3.06Å; C443-C479 CovalentContact SG-SG 2.02Å; C443-C479 PolarHBondContact SG-SG 3.21Å
444	I	89.2	Confident	65.6	Low	75 Å²	75	79.1 Å²	79.1	39%	0.385	47%	0.47	S	S	.	.			trans	-126.8	151.3	-175.4	61.9	169	0	0	0	113.7	S442 K446	S442-I444 PolarHBondContact O-N 3.45Å; I444-K446 HydrophobicContact CD1-CG 3.99Å; I444-K446 HydrophobicContact CG1-CG 3.96Å
445	D	91.3	Very high	68.4	Low	50 Å²	50	83.3 Å²	83.3	27%	0.267	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-88.3	108.9	164.4	-71.2	-38.1	0	0	0	108.5	H447 C450 C470 R472 S473	D445-H447 PolarHBondContact O-N 3.3Å; D445-C450 HydrophobicContact CB-CB 3.64Å; D445-C450 VanDerWaalsContact CG-CB 3.46Å; D445-C450 WeakPolarHBondContact OD1-CB 3.44Å; D445-C470 WeakPolarHBondContact OD1-CA 3.34Å; D445-R472 PolarHBondContact OD1-N 3.25Å; D445-S473 VanDerWaalsContact CG-OG 3.24Å; D445-S473 WeakPolarHBondContact OD1-CB 3.2Å; D445-S473 PolarHBondContact OD1-N 3.33Å; D445-S473 PolarHBondContact OD1-OG 2.68Å; D445-S473 WeakPolarHBondContact OD2-CB 3.36Å; D445-S473 PolarHBondContact OD2-N 3.49Å; D445-S473 PolarHBondContact OD2-OG 2.75Å
446	K	89.5	Confident	70.8	Confident	97 Å²	97	75.9 Å²	75.9	42%	0.422	43%	0.434	S	S	.	.	S	Bend	trans	-81.7	4.7	-178.5	-57.9	169	-165.4	151.3	0	112.4	I444 K468 W469 Q471	I444-K446 HydrophobicContact CD1-CG 3.99Å; I444-K446 HydrophobicContact CG1-CG 3.96Å; K446-K468 PolarHBondContact NZ-O 3.32Å; K446-W469 WeakPolarHBondContact CA-O 3.15Å; K446-W469 HydrophobicContact CB-CE3 3.73Å; K446-W469 HydrophobicContact CB-CZ3 4.29Å; K446-W469 WeakPolarHBondContact CB-O 3.1Å; K446-W469 PolarHBondContact N-O 3.24Å; K446-Q471 VanDerWaalsContact CE-OE1 3.25Å
447	H	82.5	Confident	73.3	Confident	59 Å²	59	78.9 Å²	78.9	27%	0.273	43%	0.431	S	S	.	.	S	Bend	trans	-142.3	133.9	175.8	-171	-91.1	0	0	0	111	D445 L449 C450 W453	D445-H447 PolarHBondContact O-N 3.3Å; H447-L449 PolarHBondContact ND1-N 2.97Å; H447-L449 PolarHBondContact O-N 3.03Å; H447-L449 VanDerWaalsContact O-N 3.11Å; H447-C450 WeakPolarHBondContact O-CB 3.41Å; H447-C450 PolarHBondContact O-N 3.05Å; H447-C450 VanDerWaalsContact O-N 3.08Å; H447-C450 PolarHBondContact O-SG 3.22Å; H447-W453 HydrophobicContact CB-CH2 4.41Å; H447-W453 HydrophobicContact CB-CZ3 3.97Å; H447-W453 AromaticContact CE1-CH2 3.18Å; H447-W453 WeakPolarHBondContact CE1-CH2 3.49Å; H447-W453 AromaticContact CE1-CZ2 3.49Å; H447-W453 VanDerWaalsContact CE1-CZ2 3.49Å; H447-W453 WeakPolarHBondContact CE1-CZ2 3.18Å; H447-W453 AromaticContact CE1-CZ3 3.89Å; H447-W453 AromaticContact CG-CH2 3.61Å; H447-W453 AromaticContact CG-CZ3 3.64Å; H447-W453 AromaticContact ND1-CH2 3.01Å; H447-W453 WeakPolarHBondContact ND1-CH2 3.21Å; H447-W453 AromaticContact ND1-CZ2 3.63Å; H447-W453 AromaticContact ND1-CZ3 3.21Å; H447-W453 WeakPolarHBondContact ND1-CZ3 3.01Å; H447-W453 AromaticContact NE2-CH2 3.83Å
448	P	85.9	Confident	75.4	Confident	104 Å²	104	73.6 Å²	73.6	68%	0.675	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.9	-171.7	23	-34.6	0	0	0	114.3	C450	P448-C450 VanDerWaalsContact C-N 3.34Å; P448-C450 PolarHBondContact O-N 2.84Å
449	L	81.5	Confident	78	Confident	16 Å²	16	67 Å²	67	8%	0.084	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.4	178.9	-57.6	-176.2	0	0	0	114.6	W142 V380 N381 H447 S451 Q452 W453	W142-L449 HydrophobicContact CH2-CD1 4.17Å; V380-L449 WeakPolarHBondContact O-CD2 3.37Å; N381-L449 WeakPolarHBondContact OD1-CD1 3.26Å; H447-L449 PolarHBondContact ND1-N 2.97Å; H447-L449 PolarHBondContact O-N 3.03Å; H447-L449 VanDerWaalsContact O-N 3.11Å; L449-S451 VanDerWaalsContact C-N 3.26Å; L449-S451 PolarHBondContact O-N 2.81Å; L449-S451 VanDerWaalsContact O-N 3.15Å; L449-Q452 WeakPolarHBondContact O-CA 3.31Å; L449-Q452 WeakPolarHBondContact O-CB 3.31Å; L449-Q452 PolarHBondContact O-N 3.39Å; L449-W453 HydrophobicContact CB-CD2 3.88Å; L449-W453 HydrophobicContact CB-CE3 4.38Å; L449-W453 HydrophobicContact CB-CG 4.3Å; L449-W453 HydrophobicContact CB-CZ2 3.96Å; L449-W453 HydrophobicContact CD1-CZ2 4Å; L449-W453 PolarHBondContact O-N 2.97Å
450	C	88.3	Confident	80.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-52	-41.4	-175.2	-75.8	0	0	0	0	114	D445 H447 P448 Q452 W453 A454 W469 C470 S473	D445-C450 HydrophobicContact CB-CB 3.64Å; D445-C450 VanDerWaalsContact CG-CB 3.46Å; D445-C450 WeakPolarHBondContact OD1-CB 3.44Å; H447-C450 WeakPolarHBondContact O-CB 3.41Å; H447-C450 PolarHBondContact O-N 3.05Å; H447-C450 VanDerWaalsContact O-N 3.08Å; H447-C450 PolarHBondContact O-SG 3.22Å; P448-C450 VanDerWaalsContact C-N 3.34Å; P448-C450 PolarHBondContact O-N 2.84Å; C450-Q452 VanDerWaalsContact C-N 3.3Å; C450-Q452 PolarHBondContact O-N 3.4Å; C450-W453 PolarHBondContact O-N 2.03Å; C450-A454 VanDerWaalsContact O-CB 3.31Å; C450-A454 WeakPolarHBondContact O-CB 3.45Å; C450-A454 PolarHBondContact O-N 2.93Å; C450-W469 PolarHBondContact SG-O 3.3Å; C450-C470 WeakPolarHBondContact CA-SG 3.27Å; C450-C470 HydrophobicContact CB-CB 3.47Å; C450-C470 VanDerWaalsContact CB-CB 3.47Å; C450-C470 WeakPolarHBondContact CB-SG 3.19Å; C450-C470 WeakPolarHBondContact SG-CA 3.37Å; C450-C470 WeakPolarHBondContact SG-CB 3.48Å; C450-C470 CovalentContact SG-SG 2.02Å; C450-C470 PolarHBondContact SG-SG 3.05Å; C450-S473 VanDerWaalsContact C-OG 3.32Å; C450-S473 WeakPolarHBondContact O-CB 3.46Å
451	S	88.6	Confident	81.3	Confident	62 Å²	62	66 Å²	66	43%	0.434	34%	0.339	S	S	.	.	H	α-helix	trans	-68.8	-28.6	179	65.8	0	0	0	0	113.3	L449 R455 S473	L449-S451 VanDerWaalsContact C-N 3.26Å; L449-S451 PolarHBondContact O-N 2.81Å; L449-S451 VanDerWaalsContact O-N 3.15Å; S451-R455 WeakPolarHBondContact O-CB 3.41Å; S451-R455 PolarHBondContact O-N 3.15Å; S451-S473 WeakPolarHBondContact CA-OG 3.5Å; S451-S473 PolarHBondContact N-OG 3.49Å; S451-S473 VanDerWaalsContact N-OG 3.1Å
452	Q	81.5	Confident	81.9	Confident	30 Å²	30	61.3 Å²	61.3	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-80.1	-42.5	175.2	178.7	171.3	83.4	0	0	111.3	L449 C450 R455 W456	L449-Q452 WeakPolarHBondContact O-CA 3.31Å; L449-Q452 WeakPolarHBondContact O-CB 3.31Å; L449-Q452 PolarHBondContact O-N 3.39Å; C450-Q452 VanDerWaalsContact C-N 3.3Å; C450-Q452 PolarHBondContact O-N 3.4Å; Q452-R455 CarbonylContact O-C 3.29Å; Q452-R455 WeakPolarHBondContact O-CB 3.45Å; Q452-R455 PolarHBondContact O-N 3.1Å; Q452-W456 HydrophobicContact CG-CD2 3.87Å; Q452-W456 VanDerWaalsContact CG-CE2 3.49Å; Q452-W456 HydrophobicContact CG-CE3 4.02Å; Q452-W456 HydrophobicContact CG-CH2 3.54Å; Q452-W456 HydrophobicContact CG-CZ2 3.32Å; Q452-W456 HydrophobicContact CG-CZ3 3.87Å; Q452-W456 VanDerWaalsContact O-CG 3.25Å; Q452-W456 PolarHBondContact O-N 3.49Å
453	W	83.5	Confident	82.4	Confident	33 Å²	33	61.5 Å²	61.5	13%	0.125	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-42.1	174.6	-66.1	-21.7	0	0	0	112	H447 L449 C450 W456 R457 H458 Y465 M466	H447-W453 HydrophobicContact CB-CH2 4.41Å; H447-W453 HydrophobicContact CB-CZ3 3.97Å; H447-W453 AromaticContact CE1-CH2 3.18Å; H447-W453 WeakPolarHBondContact CE1-CH2 3.49Å; H447-W453 AromaticContact CE1-CZ2 3.49Å; H447-W453 VanDerWaalsContact CE1-CZ2 3.49Å; H447-W453 WeakPolarHBondContact CE1-CZ2 3.18Å; H447-W453 AromaticContact CE1-CZ3 3.89Å; H447-W453 AromaticContact CG-CH2 3.61Å; H447-W453 AromaticContact CG-CZ3 3.64Å; H447-W453 AromaticContact ND1-CH2 3.01Å; H447-W453 WeakPolarHBondContact ND1-CH2 3.21Å; H447-W453 AromaticContact ND1-CZ2 3.63Å; H447-W453 AromaticContact ND1-CZ3 3.21Å; H447-W453 WeakPolarHBondContact ND1-CZ3 3.01Å; H447-W453 AromaticContact NE2-CH2 3.83Å; L449-W453 HydrophobicContact CB-CD2 3.88Å; L449-W453 HydrophobicContact CB-CE3 4.38Å; L449-W453 HydrophobicContact CB-CG 4.3Å; L449-W453 HydrophobicContact CB-CZ2 3.96Å; L449-W453 HydrophobicContact CD1-CZ2 4Å; L449-W453 PolarHBondContact O-N 2.97Å; C450-W453 PolarHBondContact O-N 2.03Å; W453-W456 CarbonylContact O-C 3.34Å; W453-W456 VanDerWaalsContact O-C 3.3Å; W453-W456 WeakPolarHBondContact O-CA 3.15Å; W453-W456 PolarHBondContact O-N 3.06Å; W453-R457 PolarHBondContact O-N 3.27Å; W453-H458 HydrophobicContact CB-CB 3.98Å; W453-H458 WeakPolarHBondContact O-CB 3.31Å; W453-H458 PolarHBondContact O-CD2 3.42Å; W453-H458 PolarHBondContact O-N 3.18Å; W453-Y465 HydrophobicContact CE3-CE1 4.43Å; W453-Y465 HydrophobicContact CH2-CE1 4.11Å; W453-Y465 AromaticContact CZ3-CE1 3.69Å; W453-Y465 HydrophobicContact CZ3-CE1 3.69Å; W453-M466 HydrophobicContact CB-CE 3.59Å; W453-M466 HydrophobicContact CB-SD 3.98Å; W453-M466 HydrophobicContact CE3-CE 4.43Å; W453-M466 HydrophobicContact CE3-SD 3.9Å
454	A	87.2	Confident	81.6	Confident	21 Å²	21	65 Å²	65	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-43.9	172.2	0	0	0	0	0	111.9	C450 W456 R457 C459 M466 S473	C450-A454 VanDerWaalsContact O-CB 3.31Å; C450-A454 WeakPolarHBondContact O-CB 3.45Å; C450-A454 PolarHBondContact O-N 2.93Å; A454-W456 PolarHBondContact O-N 2.02Å; A454-R457 PolarHBondContact O-N 3.08Å; A454-C459 VanDerWaalsContact CB-SG 3.56Å; A454-M466 HydrophobicContact CB-CE 4.46Å; A454-S473 WeakPolarHBondContact CB-O 3.34Å
455	R	88.6	Confident	81	Confident	184 Å²	184	63.9 Å²	63.9	69%	0.694	31%	0.312	S	S	*	.	H	α-helix	trans	-62.4	-20	172.5	-166.9	-179.3	-62.1	128.6	5.4	113.3	S451 Q452	S451-R455 WeakPolarHBondContact O-CB 3.41Å; S451-R455 PolarHBondContact O-N 3.15Å; Q452-R455 CarbonylContact O-C 3.29Å; Q452-R455 WeakPolarHBondContact O-CB 3.45Å; Q452-R455 PolarHBondContact O-N 3.1Å
456	W	77.8	Confident	80.7	Confident	46 Å²	46	61.5 Å²	61.5	17%	0.174	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	19.3	172.8	-60.2	-19.6	0	0	0	113.3	H151 Q452 W453 A454 H458	H151-W456 AromaticContact CE1-CD2 3.47Å; H151-W456 VanDerWaalsContact CE1-CD2 3.47Å; H151-W456 AromaticContact CE1-CE3 3.26Å; H151-W456 AromaticContact CE1-CG 3.67Å; H151-W456 AromaticContact NE2-CE3 3.5Å; Q452-W456 HydrophobicContact CG-CD2 3.87Å; Q452-W456 VanDerWaalsContact CG-CE2 3.49Å; Q452-W456 HydrophobicContact CG-CE3 4.02Å; Q452-W456 HydrophobicContact CG-CH2 3.54Å; Q452-W456 HydrophobicContact CG-CZ2 3.32Å; Q452-W456 HydrophobicContact CG-CZ3 3.87Å; Q452-W456 VanDerWaalsContact O-CG 3.25Å; Q452-W456 PolarHBondContact O-N 3.49Å; W453-W456 CarbonylContact O-C 3.34Å; W453-W456 VanDerWaalsContact O-C 3.3Å; W453-W456 WeakPolarHBondContact O-CA 3.15Å; W453-W456 PolarHBondContact O-N 3.06Å; A454-W456 PolarHBondContact O-N 2.02Å; W456-H458 VanDerWaalsContact C-N 3.28Å; W456-H458 PolarHBondContact O-N 3.06Å
457	R	82.6	Confident	80.5	Confident	160 Å²	160	60.1 Å²	60.1	60%	0.604	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	26.8	176	-50.7	-167.8	67.9	-179.5	-0.1	115.2	W453 A454 C459 E460 L461	W453-R457 PolarHBondContact O-N 3.27Å; A454-R457 PolarHBondContact O-N 3.08Å; R457-C459 PolarHBondContact O-N 3.11Å; R457-E460 VanDerWaalsContact CA-OE2 3.24Å; R457-E460 WeakPolarHBondContact CA-OE2 3.41Å; R457-E460 WeakPolarHBondContact CB-OE2 3.37Å; R457-E460 IonicContact CZ-OE1 3.36Å; R457-E460 IonicContact NE-OE1 2.83Å; R457-E460 PolarHBondContact NE-OE1 3.11Å; R457-E460 IonicContact NH2-OE1 3.23Å; R457-E460 PolarHBondContact NH2-OE1 3.17Å; R457-E460 PolarHBondContact O-N 3.31Å; R457-L461 HydrophobicContact CB-CD1 4.47Å; R457-L461 WeakPolarHBondContact O-CB 3.39Å; R457-L461 VanDerWaalsContact O-CG 3.26Å; R457-L461 WeakPolarHBondContact O-CG 3.26Å; R457-L461 PolarHBondContact O-N 3.2Å
458	H	78.4	Confident	80.5	Confident	30 Å²	30	63.9 Å²	63.9	14%	0.139	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-20.9	173	-75.3	-118.1	0	0	0	112.4	H151 W453 W456 E460 N462 M466	H151-H458 AromaticContact CD2-CE1 3.93Å; H151-H458 AromaticContact CD2-NE2 3.14Å; H151-H458 PolarHBondContact CD2-NE2 3.38Å; H151-H458 AromaticContact NE2-CD2 3.95Å; H151-H458 AromaticContact NE2-CE1 3.84Å; H151-H458 AromaticContact NE2-NE2 2.94Å; H151-H458 PolarHBondContact NE2-NE2 2.91Å; W453-H458 HydrophobicContact CB-CB 3.98Å; W453-H458 WeakPolarHBondContact O-CB 3.31Å; W453-H458 PolarHBondContact O-CD2 3.42Å; W453-H458 PolarHBondContact O-N 3.18Å; W456-H458 VanDerWaalsContact C-N 3.28Å; W456-H458 PolarHBondContact O-N 3.06Å; H458-E460 VanDerWaalsContact C-N 3.26Å; H458-E460 PolarHBondContact O-N 3.47Å; H458-N462 CarbonylContact O-C 3.6Å; H458-N462 VanDerWaalsContact O-C 3.29Å; H458-N462 VanDerWaalsContact O-CA 3.31Å; H458-N462 WeakPolarHBondContact O-CA 3.49Å; H458-N462 WeakPolarHBondContact O-CB 3.17Å; H458-N462 PolarHBondContact O-N 2.76Å; H458-M466 HydrophobicContact CB-CE 4.02Å; H458-M466 HydrophobicContact CB-CG 3.71Å; H458-M466 HydrophobicContact CB-SD 3.77Å; H458-M466 VanDerWaalsContact O-CG 3.31Å; H458-M466 WeakPolarHBondContact O-CG 3.37Å
459	C	84	Confident	80.6	Confident	33 Å²	33	63.8 Å²	63.8	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-40.9	175.2	-51.6	0	0	0	0	111.3	A454 R457 P463 C474	A454-C459 VanDerWaalsContact CB-SG 3.56Å; R457-C459 PolarHBondContact O-N 3.11Å; C459-P463 WeakPolarHBondContact O-CA 3.41Å; C459-P463 WeakPolarHBondContact O-CB 3.41Å; C459-C474 WeakPolarHBondContact CA-SG 3.42Å; C459-C474 HydrophobicContact CB-CB 3.71Å; C459-C474 WeakPolarHBondContact CB-SG 3.05Å; C459-C474 WeakPolarHBondContact SG-CA 3.46Å; C459-C474 WeakPolarHBondContact SG-CB 3.37Å; C459-C474 CovalentContact SG-SG 2.03Å; C459-C474 PolarHBondContact SG-SG 2.8Å
460	E	79.2	Confident	81.1	Confident	100 Å²	100	63 Å²	63	47%	0.467	29%	0.294	S	S	.	.	H	α-helix	trans	-89.1	-33.3	178.5	-47.1	98.2	108.9	0	0	112.8	R457 H458	R457-E460 VanDerWaalsContact CA-OE2 3.24Å; R457-E460 WeakPolarHBondContact CA-OE2 3.41Å; R457-E460 WeakPolarHBondContact CB-OE2 3.37Å; R457-E460 IonicContact CZ-OE1 3.36Å; R457-E460 IonicContact NE-OE1 2.83Å; R457-E460 PolarHBondContact NE-OE1 3.11Å; R457-E460 IonicContact NH2-OE1 3.23Å; R457-E460 PolarHBondContact NH2-OE1 3.17Å; R457-E460 PolarHBondContact O-N 3.31Å; H458-E460 VanDerWaalsContact C-N 3.26Å; H458-E460 PolarHBondContact O-N 3.47Å
461	L	64.8	Low	81.3	Confident	85 Å²	85	64 Å²	64	45%	0.445	30%	0.299	S	S	.	.	H	α-helix	trans	-80.9	-26.8	-178.3	-65.2	170.1	0	0	0	113.6	R457	R457-L461 HydrophobicContact CB-CD1 4.47Å; R457-L461 WeakPolarHBondContact O-CB 3.39Å; R457-L461 VanDerWaalsContact O-CG 3.26Å; R457-L461 WeakPolarHBondContact O-CG 3.26Å; R457-L461 PolarHBondContact O-N 3.2Å
462	N	66	Low	81.5	Confident	19 Å²	19	69.3 Å²	69.3	10%	0.102	31%	0.309	C	S	.	.	S	Bend	trans	-143.7	57	-174.7	-172.9	8.1	0	0	0	111.7	V242 V245 H458 I464 Y465 M466	V242-N462 HydrophobicContact CG1-CB 4.19Å; V242-N462 VanDerWaalsContact CG1-ND2 3.29Å; V242-N462 WeakPolarHBondContact CG1-ND2 3.39Å; V242-N462 VanDerWaalsContact CG1-OD1 3.26Å; V242-N462 WeakPolarHBondContact CG1-OD1 3.42Å; V245-N462 WeakPolarHBondContact CG2-OD1 3.31Å; H458-N462 CarbonylContact O-C 3.6Å; H458-N462 VanDerWaalsContact O-C 3.29Å; H458-N462 VanDerWaalsContact O-CA 3.31Å; H458-N462 WeakPolarHBondContact O-CA 3.49Å; H458-N462 WeakPolarHBondContact O-CB 3.17Å; H458-N462 PolarHBondContact O-N 2.76Å; N462-I464 VanDerWaalsContact C-N 3.34Å; N462-I464 PolarHBondContact O-N 2.82Å; N462-Y465 WeakPolarHBondContact ND2-CB 3.35Å; N462-Y465 PolarHBondContact O-N 3.04Å; N462-Y465 WeakPolarHBondContact OD1-CB 3.21Å; N462-M466 HydrophobicContact CB-CG 4.44Å; N462-M466 WeakPolarHBondContact O-CB 3.38Å; N462-M466 VanDerWaalsContact O-CG 3.31Å; N462-M466 WeakPolarHBondContact O-CG 3.39Å; N462-M466 PolarHBondContact O-N 2.87Å
463	P	76.3	Confident	82.1	Confident	58 Å²	58	69.3 Å²	69.3	38%	0.377	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-37.7	-171.1	22.7	-33.6	0	0	0	113.2	C459 M466 L467	C459-P463 WeakPolarHBondContact O-CA 3.41Å; C459-P463 WeakPolarHBondContact O-CB 3.41Å; P463-M466 PolarHBondContact O-N 3.21Å; P463-L467 HydrophobicContact CB-CD1 4.44Å; P463-L467 WeakPolarHBondContact O-CB 3.01Å; P463-L467 WeakPolarHBondContact O-CG 3.24Å; P463-L467 PolarHBondContact O-N 3.27Å
464	I	67.6	Low	82.5	Confident	102 Å²	102	68.7 Å²	68.7	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-48.8	-176.9	-61.4	174.5	0	0	0	111.2	V245 N462 K468	V245-I464 HydrophobicContact CG2-CB 4.23Å; V245-I464 HydrophobicContact CG2-CD1 4.46Å; N462-I464 VanDerWaalsContact C-N 3.34Å; N462-I464 PolarHBondContact O-N 2.82Å; I464-K468 WeakPolarHBondContact O-CB 3.42Å; I464-K468 PolarHBondContact O-N 3.4Å
465	Y	76.4	Confident	82.6	Confident	53 Å²	53	76.6 Å²	76.6	21%	0.208	34%	0.338	C	S	.	.	H	α-helix	trans	-68.4	-43.9	178.4	-175	-86.1	0	0	0	110.9	W453 N462 K468 W469	W453-Y465 HydrophobicContact CE3-CE1 4.43Å; W453-Y465 HydrophobicContact CH2-CE1 4.11Å; W453-Y465 AromaticContact CZ3-CE1 3.69Å; W453-Y465 HydrophobicContact CZ3-CE1 3.69Å; N462-Y465 WeakPolarHBondContact ND2-CB 3.35Å; N462-Y465 PolarHBondContact O-N 3.04Å; N462-Y465 WeakPolarHBondContact OD1-CB 3.21Å; Y465-K468 PolarHBondContact O-N 2.58Å; Y465-W469 HydrophobicContact CD1-CB 4.4Å; Y465-W469 HydrophobicContact CD1-CG 4.49Å; Y465-W469 AromaticContact CD2-CD1 3.62Å; Y465-W469 AromaticContact CD2-NE1 3.94Å; Y465-W469 HydrophobicContact CE1-CB 4.08Å; Y465-W469 AromaticContact CE1-CD1 3.88Å; Y465-W469 HydrophobicContact CE1-CG 4.11Å; Y465-W469 AromaticContact CE2-CD1 3.48Å; Y465-W469 VanDerWaalsContact CE2-CD1 3.48Å; Y465-W469 HydrophobicContact CE2-CG 4.28Å; Y465-W469 AromaticContact CE2-NE1 3.62Å; Y465-W469 AromaticContact CG-CD1 3.86Å; Y465-W469 AromaticContact CZ-CD1 3.62Å; Y465-W469 AromaticContact CZ-CG 3.98Å; Y465-W469 WeakPolarHBondContact O-CB 2.99Å; Y465-W469 PolarHBondContact O-N 2.84Å
466	M	85	Confident	82.4	Confident	0 Å²	0	68 Å²	68	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69.9	-34.4	-177.4	-67.6	-60.6	-70.4	0	0	113	W453 A454 H458 N462 P463 K468 C470 Q471 C474	W453-M466 HydrophobicContact CB-CE 3.59Å; W453-M466 HydrophobicContact CB-SD 3.98Å; W453-M466 HydrophobicContact CE3-CE 4.43Å; W453-M466 HydrophobicContact CE3-SD 3.9Å; A454-M466 HydrophobicContact CB-CE 4.46Å; H458-M466 HydrophobicContact CB-CE 4.02Å; H458-M466 HydrophobicContact CB-CG 3.71Å; H458-M466 HydrophobicContact CB-SD 3.77Å; H458-M466 VanDerWaalsContact O-CG 3.31Å; H458-M466 WeakPolarHBondContact O-CG 3.37Å; N462-M466 HydrophobicContact CB-CG 4.44Å; N462-M466 WeakPolarHBondContact O-CB 3.38Å; N462-M466 VanDerWaalsContact O-CG 3.31Å; N462-M466 WeakPolarHBondContact O-CG 3.39Å; N462-M466 PolarHBondContact O-N 2.87Å; P463-M466 PolarHBondContact O-N 3.21Å; M466-K468 VanDerWaalsContact C-N 3.32Å; M466-C470 HydrophobicContact CB-CB 4.4Å; M466-C470 HydrophobicContact CE-CB 3.45Å; M466-C470 VanDerWaalsContact CE-CB 3.45Å; M466-C470 VanDerWaalsContact CE-SG 3.55Å; M466-C470 CarbonylContact O-C 3.04Å; M466-C470 WeakPolarHBondContact O-CA 3.35Å; M466-C470 VanDerWaalsContact O-CB 3.24Å; M466-C470 WeakPolarHBondContact O-CB 3.41Å; M466-C470 PolarHBondContact O-N 3.43Å; M466-C470 HydrophobicContact SD-CB 3.99Å; M466-C470 VanDerWaalsContact SD-SG 3.62Å; M466-Q471 PolarHBondContact O-N 2.85Å; M466-C474 HydrophobicContact CB-CB 4.43Å; M466-C474 WeakPolarHBondContact CE-SG 3.21Å
467	L	84.9	Confident	82.4	Confident	68 Å²	68	70.2 Å²	70.2	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-73.5	-23.8	172.1	-67	170.1	0	0	0	112.1	P463 Q471	P463-L467 HydrophobicContact CB-CD1 4.44Å; P463-L467 WeakPolarHBondContact O-CB 3.01Å; P463-L467 WeakPolarHBondContact O-CG 3.24Å; P463-L467 PolarHBondContact O-N 3.27Å; L467-Q471 WeakPolarHBondContact O-CG 3.45Å
468	K	82.7	Confident	81.8	Confident	138 Å²	138	67.8 Å²	67.8	60%	0.6	32%	0.322	S	S	*	.	H	α-helix	trans	-79.5	-41.4	174.1	-175.1	167.2	-177.2	168.7	0	113.4	K446 I464 Y465 M466	K446-K468 PolarHBondContact NZ-O 3.32Å; I464-K468 WeakPolarHBondContact O-CB 3.42Å; I464-K468 PolarHBondContact O-N 3.4Å; Y465-K468 PolarHBondContact O-N 2.58Å; M466-K468 VanDerWaalsContact C-N 3.32Å
469	W	88.1	Confident	81.8	Confident	101 Å²	101	66.8 Å²	66.8	38%	0.383	32%	0.318	S	S	.	.	H	α-helix	trans	-108.8	-20.6	-170.8	-68.2	98.5	0	0	0	114.9	K446 C450 Y465	K446-W469 WeakPolarHBondContact CA-O 3.15Å; K446-W469 HydrophobicContact CB-CE3 3.73Å; K446-W469 HydrophobicContact CB-CZ3 4.29Å; K446-W469 WeakPolarHBondContact CB-O 3.1Å; K446-W469 PolarHBondContact N-O 3.24Å; C450-W469 PolarHBondContact SG-O 3.3Å; Y465-W469 HydrophobicContact CD1-CB 4.4Å; Y465-W469 HydrophobicContact CD1-CG 4.49Å; Y465-W469 AromaticContact CD2-CD1 3.62Å; Y465-W469 AromaticContact CD2-NE1 3.94Å; Y465-W469 HydrophobicContact CE1-CB 4.08Å; Y465-W469 AromaticContact CE1-CD1 3.88Å; Y465-W469 HydrophobicContact CE1-CG 4.11Å; Y465-W469 AromaticContact CE2-CD1 3.48Å; Y465-W469 VanDerWaalsContact CE2-CD1 3.48Å; Y465-W469 HydrophobicContact CE2-CG 4.28Å; Y465-W469 AromaticContact CE2-NE1 3.62Å; Y465-W469 AromaticContact CG-CD1 3.86Å; Y465-W469 AromaticContact CZ-CD1 3.62Å; Y465-W469 AromaticContact CZ-CG 3.98Å; Y465-W469 WeakPolarHBondContact O-CB 2.99Å; Y465-W469 PolarHBondContact O-N 2.84Å
470	C	91.9	Very high	81	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-133.7	43.3	-169.2	-60.3	0	0	0	0	111.9	D445 C450 M466 R472 S473 C474	D445-C470 WeakPolarHBondContact OD1-CA 3.34Å; C450-C470 WeakPolarHBondContact CA-SG 3.27Å; C450-C470 HydrophobicContact CB-CB 3.47Å; C450-C470 VanDerWaalsContact CB-CB 3.47Å; C450-C470 WeakPolarHBondContact CB-SG 3.19Å; C450-C470 WeakPolarHBondContact SG-CA 3.37Å; C450-C470 WeakPolarHBondContact SG-CB 3.48Å; C450-C470 CovalentContact SG-SG 2.02Å; C450-C470 PolarHBondContact SG-SG 3.05Å; M466-C470 HydrophobicContact CB-CB 4.4Å; M466-C470 HydrophobicContact CE-CB 3.45Å; M466-C470 VanDerWaalsContact CE-CB 3.45Å; M466-C470 VanDerWaalsContact CE-SG 3.55Å; M466-C470 CarbonylContact O-C 3.04Å; M466-C470 WeakPolarHBondContact O-CA 3.35Å; M466-C470 VanDerWaalsContact O-CB 3.24Å; M466-C470 WeakPolarHBondContact O-CB 3.41Å; M466-C470 PolarHBondContact O-N 3.43Å; M466-C470 HydrophobicContact SD-CB 3.99Å; M466-C470 VanDerWaalsContact SD-SG 3.62Å; C470-R472 VanDerWaalsContact C-N 3.26Å; C470-R472 PolarHBondContact O-N 3.25Å; C470-S473 PolarHBondContact O-N 3.36Å; C470-C474 PolarHBondContact O-N 2.93Å
471	Q	93	Very high	80.1	Confident	22 Å²	22	75.4 Å²	75.4	10%	0.103	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-43.8	-173	-72.1	167.5	-60.9	0	0	111.5	K446 M466 L467 R475 S476 E478 C479	K446-Q471 VanDerWaalsContact CE-OE1 3.25Å; M466-Q471 PolarHBondContact O-N 2.85Å; L467-Q471 WeakPolarHBondContact O-CG 3.45Å; Q471-R475 WeakPolarHBondContact O-CA 3.46Å; Q471-R475 PolarHBondContact O-N 3.32Å; Q471-S476 PolarHBondContact O-N 3.38Å; Q471-E478 PolarHBondContact NE2-OE2 3.4Å; Q471-C479 PolarHBondContact O-SG 2.85Å
472	R	93	Very high	79.6	Confident	173 Å²	173	74.2 Å²	74.2	65%	0.653	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-49	-178.1	175.3	176.6	166.4	169.4	-4	112.1	C443 D445 C470 C474 R475	C443-R472 VanDerWaalsContact SG-CA 3.57Å; D445-R472 PolarHBondContact OD1-N 3.25Å; C470-R472 VanDerWaalsContact C-N 3.26Å; C470-R472 PolarHBondContact O-N 3.25Å; R472-C474 VanDerWaalsContact C-N 3.3Å; R472-C474 PolarHBondContact O-N 2.74Å; R472-R475 PolarHBondContact O-N 3.39Å
473	S	93.4	Very high	78.9	Confident	30 Å²	30	80.4 Å²	80.4	21%	0.21	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.4	-178.9	-77.1	0	0	0	0	113.3	D445 C450 S451 A454 C470	D445-S473 VanDerWaalsContact CG-OG 3.24Å; D445-S473 WeakPolarHBondContact OD1-CB 3.2Å; D445-S473 PolarHBondContact OD1-N 3.33Å; D445-S473 PolarHBondContact OD1-OG 2.68Å; D445-S473 WeakPolarHBondContact OD2-CB 3.36Å; D445-S473 PolarHBondContact OD2-N 3.49Å; D445-S473 PolarHBondContact OD2-OG 2.75Å; C450-S473 VanDerWaalsContact C-OG 3.32Å; C450-S473 WeakPolarHBondContact O-CB 3.46Å; S451-S473 WeakPolarHBondContact CA-OG 3.5Å; S451-S473 PolarHBondContact N-OG 3.49Å; S451-S473 VanDerWaalsContact N-OG 3.1Å; A454-S473 WeakPolarHBondContact CB-O 3.34Å; C470-S473 PolarHBondContact O-N 3.36Å
474	C	91.4	Very high	77.7	Confident	20 Å²	20	81.5 Å²	81.5	14%	0.135	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	9	175.9	-70.9	0	0	0	0	114.9	C459 M466 C470 R472 S476	C459-C474 WeakPolarHBondContact CA-SG 3.42Å; C459-C474 HydrophobicContact CB-CB 3.71Å; C459-C474 WeakPolarHBondContact CB-SG 3.05Å; C459-C474 WeakPolarHBondContact SG-CA 3.46Å; C459-C474 WeakPolarHBondContact SG-CB 3.37Å; C459-C474 CovalentContact SG-SG 2.03Å; C459-C474 PolarHBondContact SG-SG 2.8Å; M466-C474 HydrophobicContact CB-CB 4.43Å; M466-C474 WeakPolarHBondContact CE-SG 3.21Å; C470-C474 PolarHBondContact O-N 2.93Å; R472-C474 VanDerWaalsContact C-N 3.3Å; R472-C474 PolarHBondContact O-N 2.74Å; C474-S476 PolarHBondContact O-N 3.2Å
475	R	90.3	Very high	76.9	Confident	187 Å²	187	82.5 Å²	82.5	71%	0.706	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	56.6	177	-51.1	-177.4	-177.6	-164.4	-0.7	112.8	Q471 R472 F480	Q471-R475 WeakPolarHBondContact O-CA 3.46Å; Q471-R475 PolarHBondContact O-N 3.32Å; R472-R475 PolarHBondContact O-N 3.39Å; R475-F480 HydrophobicContact CB-CE2 3.77Å; R475-F480 HydrophobicContact CB-CZ 4.04Å; R475-F480 WeakPolarHBondContact O-CE2 3.5Å
476	S	83.7	Confident	75.3	Confident	4 Å²	4	83.6 Å²	83.6	3%	0.028	42%	0.422	C	S	.	.			trans	-50.2	144.6	175.4	178.3	0	0	0	0	111.2	Q471 C474 E478 C479 F480	Q471-S476 PolarHBondContact O-N 3.38Å; C474-S476 PolarHBondContact O-N 3.2Å; S476-E478 PolarHBondContact O-N 2.02Å; S476-E478 PolarHBondContact OG-N 3.06Å; S476-E478 PolarHBondContact OG-OE2 2.99Å; S476-C479 WeakPolarHBondContact O-CA 2.99Å; S476-C479 WeakPolarHBondContact O-CB 3.46Å; S476-C479 PolarHBondContact O-N 2.72Å; S476-F480 PolarHBondContact O-N 3.32Å
477	P	76.9	Confident	73.2	Confident	91 Å²	91	87.5 Å²	87.5	59%	0.591	45%	0.454	S	S	*	.	H	α-helix	trans	-51.4	-29.4	171.5	-28.2	36.4	0	0	0	113.8	C479 F480 R481	P477-C479 VanDerWaalsContact C-N 3.34Å; P477-F480 PolarHBondContact O-N 3.4Å; P477-R481 PolarHBondContact O-N 3.39Å
478	E	71.8	Confident	70.8	Confident	110 Å²	110	93.7 Å²	93.7	51%	0.514	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-39.3	174.2	-58.2	157.9	137.3	0	0	111.8	Q471 S476 R481 S482	Q471-E478 PolarHBondContact NE2-OE2 3.4Å; S476-E478 PolarHBondContact O-N 2.02Å; S476-E478 PolarHBondContact OG-N 3.06Å; S476-E478 PolarHBondContact OG-OE2 2.99Å; E478-R481 PolarHBondContact O-N 3.37Å; E478-S482 PolarHBondContact O-N 2.97Å
479	C	77.4	Confident	68.9	Low	9 Å²	9	94.5 Å²	94.5	6%	0.061	49%	0.494	C	S	.	.	H	α-helix	trans	-65.1	-40	177.2	-67.2	0	0	0	0	112.4	C443 Q471 S476 P477 S482 M483	C443-C479 HydrophobicContact CB-CB 3.76Å; C443-C479 WeakPolarHBondContact CB-SG 2.94Å; C443-C479 WeakPolarHBondContact SG-CB 3.06Å; C443-C479 CovalentContact SG-SG 2.02Å; C443-C479 PolarHBondContact SG-SG 3.21Å; Q471-C479 PolarHBondContact O-SG 2.85Å; S476-C479 WeakPolarHBondContact O-CA 2.99Å; S476-C479 WeakPolarHBondContact O-CB 3.46Å; S476-C479 PolarHBondContact O-N 2.72Å; P477-C479 VanDerWaalsContact C-N 3.34Å; C479-S482 WeakPolarHBondContact CA-OG 3.47Å; C479-S482 PolarHBondContact O-N 3.43Å; C479-S482 PolarHBondContact O-OG 3.01Å; C479-M483 PolarHBondContact O-N 3.23Å
480	F	67.4	Low	66.4	Low	119 Å²	119	92.8 Å²	92.8	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-43.2	175.1	-72.8	-75.7	0	0	0	111.4	R475 S476 P477 S482 M483 S484	R475-F480 HydrophobicContact CB-CE2 3.77Å; R475-F480 HydrophobicContact CB-CZ 4.04Å; R475-F480 WeakPolarHBondContact O-CE2 3.5Å; S476-F480 PolarHBondContact O-N 3.32Å; P477-F480 PolarHBondContact O-N 3.4Å; F480-S482 VanDerWaalsContact C-N 3.29Å; F480-S482 PolarHBondContact O-N 3.24Å; F480-M483 PolarHBondContact O-N 2.83Å; F480-S484 PolarHBondContact O-N 2.81Å; F480-S484 PolarHBondContact O-OG 3.35Å
481	R	61.2	Low	63.4	Low	195 Å²	195	100.8 Å²	100.8	74%	0.736	55%	0.55	S	S	*	.	H	α-helix	trans	-59	-39.4	175.2	-73.2	-177	174.8	178.2	-1.9	112.4	P477 E478 M483 S484 T485	P477-R481 PolarHBondContact O-N 3.39Å; E478-R481 PolarHBondContact O-N 3.37Å; R481-M483 PolarHBondContact O-N 3.3Å; R481-S484 PolarHBondContact O-N 3.37Å; R481-S484 PolarHBondContact O-OG 3.4Å; R481-T485 PolarHBondContact O-OG1 2.75Å
482	S	52.3	Low	61	Low	59 Å²	59	109 Å²	109	41%	0.413	61%	0.605	S	S	.	*	H	α-helix	trans	-67.9	-9.9	175.7	69.7	0	0	0	0	115.3	E478 C479 F480	E478-S482 PolarHBondContact O-N 2.97Å; C479-S482 WeakPolarHBondContact CA-OG 3.47Å; C479-S482 PolarHBondContact O-N 3.43Å; C479-S482 PolarHBondContact O-OG 3.01Å; F480-S482 VanDerWaalsContact C-N 3.29Å; F480-S482 PolarHBondContact O-N 3.24Å
483	M	51.9	Low	59.4	Low	149 Å²	149	105.9 Å²	105.9	73%	0.734	60%	0.603	S	S	*	*	H	α-helix	trans	-106.5	-29.5	175.1	-69.2	-178.3	168.5	0	0	112.8	C479 F480 R481	C479-M483 PolarHBondContact O-N 3.23Å; F480-M483 PolarHBondContact O-N 2.83Å; R481-M483 PolarHBondContact O-N 3.3Å
484	S	52.5	Low	57.6	Low	81 Å²	81	109.8 Å²	109.8	57%	0.566	62%	0.623	S	S	*	*	H	α-helix	trans	-81.7	-11.6	-177.1	58.5	0	0	0	0	115.1	F480 R481	F480-S484 PolarHBondContact O-N 2.81Å; F480-S484 PolarHBondContact O-OG 3.35Å; R481-S484 PolarHBondContact O-N 3.37Å; R481-S484 PolarHBondContact O-OG 3.4Å
485	T	48.8	Very low	55.8	Low	123 Å²	123	114.8 Å²	114.8	76%	0.755	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	1.8	179	54.1	0	0	0	0	114.3	R481	R481-T485 PolarHBondContact O-OG1 2.75Å
486	G	44.5	Very low	53.7	Low	77 Å²	77	110.6 Å²	110.6	79%	0.794	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	11	178.1	0	0	0	0	0	115.2
487	A	39.5	Very low	51.9	Low	82 Å²	82	117.3 Å²	117.3	68%	0.678	69%	0.686	S	S	*	*			trans	-138.4	65.5	-169.6	0	0	0	0	0	112.9
488	K	35.6	Very low	50.2	Low	197 Å²	197	119 Å²	119	86%	0.857	69%	0.692	S	S	*	*			trans	-145.2	153.4	163.6	-75.4	-162.6	174.2	-170.5	0	109.5
489	V	41.6	Very low	48.6	Very low	156 Å²	156	119.6 Å²	119.6	95%	0.945	71%	0.705	S	S	*	*			trans	70.4	125.5	-163.7	-168	0	0	0	0	111.4
490	G	36.5	Very low	46.4	Very low	64 Å²	64	128.2 Å²	128.2	66%	0.66	76%	0.755	S	S	*	*			cis	-156.7	172.1	-0.4	0	0	0	0	0	112.7
491	L	29.5	Very low	44.7	Very low	169 Å²	169	128.9 Å²	128.9	89%	0.885	77%	0.774	S	S	*	*			trans	-168.8	124.3	179.1	-126.9	179.9	0	0	0	109.6
492	P	42.3	Very low	43.2	Very low	195 Å²	195	122.9 Å²	122.9	100%	1.266	78%	0.777	S	S	*	*			cis	-64.5	0	-41.5	35.4	-35	0	0	0	112.4

Retrieved 492 of 492 residues in 290.1 ms (Link to these results)

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