A0A077ZB29_TRITR Loading...

Peptidase M14 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB29, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 369 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	41.5	Very low	44.5	Very low	243 Å²	243	160.4 Å²	160.4	100%	1.197	86%	0.862	S	S	*	*				0	96.9	0	-77.1	177.8	170.4	0	0	108.1
2	T	40.4	Very low	44.7	Very low	130 Å²	130	154.3 Å²	154.3	80%	0.798	85%	0.85	S	S	*	*			trans	-134	112.4	175.3	17.5	0	0	0	0	106.9	F4	T2-F4 PolarHBondContact O-N 3.39Å
3	R	42.4	Very low	44.8	Very low	252 Å²	252	150.5 Å²	150.5	95%	0.951	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69	117.3	-176.1	-73.4	177.8	170.9	-169	-3.1	109.1	C5	R3-C5 PolarHBondContact O-N 3.26Å
4	F	44.9	Very low	44.6	Very low	203 Å²	203	148.1 Å²	148.1	89%	0.89	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-77.1	116.1	165.5	-87.7	-93	0	0	0	108.6	T2	T2-F4 PolarHBondContact O-N 3.39Å
5	C	42.6	Very low	44.4	Very low	122 Å²	122	150.2 Å²	150.2	82%	0.824	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-95.7	121.3	170.4	-153.9	0	0	0	0	107.6	R3 A7	R3-C5 PolarHBondContact O-N 3.26Å; C5-A7 PolarHBondContact O-N 3.11Å
6	P	44.9	Very low	44.1	Very low	119 Å²	119	147.8 Å²	147.8	77%	0.773	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-76.1	120.1	-177.4	28.1	-30.3	0	0	0	110.3	L8	P6-L8 PolarHBondContact O-N 2.75Å
7	A	51.3	Low	43.9	Very low	93 Å²	93	149.2 Å²	149.2	77%	0.769	81%	0.813	S	S	*	*			trans	-77.5	110.4	169.9	0	0	0	0	0	108.9	C5 L9	C5-A7 PolarHBondContact O-N 3.11Å; A7-L9 PolarHBondContact O-N 2.83Å
8	L	44.1	Very low	43.5	Very low	171 Å²	171	147.4 Å²	147.4	90%	0.895	81%	0.807	S	S	*	*			trans	-61.5	110.9	165	-82.6	142.6	0	0	0	108.1	P6	P6-L8 PolarHBondContact O-N 2.75Å
9	L	45.2	Very low	43.3	Very low	156 Å²	156	145.8 Å²	145.8	82%	0.817	80%	0.802	S	S	*	*			trans	-64.8	129.3	170.2	-92.7	108.1	0	0	0	109.1	A7 I11	A7-L9 PolarHBondContact O-N 2.83Å; L9-I11 PolarHBondContact O-N 2.83Å
10	P	48	Very low	42.9	Very low	119 Å²	119	144 Å²	144	77%	0.773	79%	0.794	S	S	*	*			trans	-67.1	123.1	176.9	26.1	-30.7	0	0	0	109.3	A12	P10-A12 PolarHBondContact O-N 2.87Å
11	I	44.3	Very low	42.8	Very low	156 Å²	156	143.4 Å²	143.4	80%	0.8	79%	0.789	S	S	*	*			trans	-64.4	99.9	171	-61.5	168.8	0	0	0	106.5	L9 V13	L9-I11 PolarHBondContact O-N 2.83Å; I11-V13 PolarHBondContact O-N 2.85Å
12	A	46.3	Very low	42.5	Very low	87 Å²	87	138 Å²	138	72%	0.719	77%	0.765	S	S	*	*			trans	-65.6	101.4	170.7	0	0	0	0	0	108	P10 V14	P10-A12 PolarHBondContact O-N 2.87Å; A12-V14 PolarHBondContact O-N 2.72Å
13	V	46.6	Very low	42.6	Very low	106 Å²	106	136.9 Å²	136.9	64%	0.642	76%	0.761	S	S	*	*			trans	-71.5	98.4	170.5	179.3	0	0	0	0	107.2	I11 F15	I11-V13 PolarHBondContact O-N 2.85Å; V13-F15 HydrophobicContact CG1-CD2 4.13Å; V13-F15 HydrophobicContact CG1-CE2 3.9Å; V13-F15 HydrophobicContact CG1-CZ 4.49Å; V13-F15 PolarHBondContact O-N 3Å
14	V	41.7	Very low	42.2	Very low	117 Å²	117	130.9 Å²	130.9	71%	0.709	75%	0.747	S	S	*	*			trans	-76.8	104.9	173.8	-179	0	0	0	0	107.8	A12 V16	A12-V14 PolarHBondContact O-N 2.72Å; V14-V16 HydrophobicContact CG1-CG2 4.02Å; V14-V16 PolarHBondContact O-N 3.19Å; V14-V16 VanDerWaalsContact O-N 3.17Å
15	F	41.7	Very low	42	Very low	179 Å²	179	126.2 Å²	126.2	79%	0.785	74%	0.737	S	S	*	*			trans	-71.7	103	166.5	-82.5	-88.6	0	0	0	108.7	V13 H17	V13-F15 HydrophobicContact CG1-CD2 4.13Å; V13-F15 HydrophobicContact CG1-CE2 3.9Å; V13-F15 HydrophobicContact CG1-CZ 4.49Å; V13-F15 PolarHBondContact O-N 3Å; F15-H17 PolarHBondContact O-N 3.17Å
16	V	39.8	Very low	42.2	Very low	112 Å²	112	122.2 Å²	122.2	68%	0.679	71%	0.709	S	S	*	*			trans	-83.7	99.5	168.2	-176.3	0	0	0	0	107.4	V14 V18	V14-V16 HydrophobicContact CG1-CG2 4.02Å; V14-V16 PolarHBondContact O-N 3.19Å; V14-V16 VanDerWaalsContact O-N 3.17Å; V16-V18 HydrophobicContact CG1-CG2 3.85Å; V16-V18 PolarHBondContact O-N 3.08Å; V16-V18 VanDerWaalsContact O-N 3.07Å
17	H	41.3	Very low	41.9	Very low	172 Å²	172	125.9 Å²	125.9	80%	0.796	71%	0.713	S	S	*	*			trans	-71.2	98	164.3	-89.9	-30.7	0	0	0	108.8	F15 V19	F15-H17 PolarHBondContact O-N 3.17Å; H17-V19 PolarHBondContact O-N 2.78Å; H17-V19 VanDerWaalsContact O-N 3.14Å
18	V	36.6	Very low	42	Very low	116 Å²	116	123.3 Å²	123.3	70%	0.703	69%	0.686	S	S	*	*			trans	-77.4	93.2	168.9	-176.9	0	0	0	0	107.7	V16 V20	V16-V18 HydrophobicContact CG1-CG2 3.85Å; V16-V18 PolarHBondContact O-N 3.08Å; V16-V18 VanDerWaalsContact O-N 3.07Å; V18-V20 HydrophobicContact CG1-CG2 4.33Å; V18-V20 PolarHBondContact O-N 2.84Å
19	V	38.8	Very low	42.1	Very low	117 Å²	117	122.7 Å²	122.7	71%	0.709	68%	0.679	S	S	*	*			trans	-77.5	109.7	161.3	-178.1	0	0	0	0	106.3	H17 I21	H17-V19 PolarHBondContact O-N 2.78Å; H17-V19 VanDerWaalsContact O-N 3.14Å; V19-I21 VanDerWaalsContact C-N 3.26Å; V19-I21 HydrophobicContact CG1-CG1 4.28Å; V19-I21 PolarHBondContact O-N 2.92Å
20	V	35.6	Very low	42.4	Very low	109 Å²	109	118 Å²	118	66%	0.661	66%	0.656	S	S	*	*			trans	-68.6	93.7	166.8	-179.2	0	0	0	0	106.1	V18 N22	V18-V20 HydrophobicContact CG1-CG2 4.33Å; V18-V20 PolarHBondContact O-N 2.84Å; V20-N22 PolarHBondContact O-N 2.77Å
21	I	40	Very low	43	Very low	133 Å²	133	114.5 Å²	114.5	68%	0.682	64%	0.642	S	S	*	*			trans	-68.1	96.2	164.5	-55.3	175.5	0	0	0	104.3	V19 C23	V19-I21 VanDerWaalsContact C-N 3.26Å; V19-I21 HydrophobicContact CG1-CG1 4.28Å; V19-I21 PolarHBondContact O-N 2.92Å; I21-C23 HydrophobicContact CG2-CB 4.48Å; I21-C23 PolarHBondContact O-N 3.05Å
22	N	35.4	Very low	44.6	Very low	130 Å²	130	112.6 Å²	112.6	70%	0.695	64%	0.637	S	S	*	*			trans	-63.3	80.5	155.8	-81.5	-19.3	0	0	0	105.8	V20 L24	V20-N22 PolarHBondContact O-N 2.77Å; N22-L24 PolarHBondContact O-N 3.28Å
23	C	43.4	Very low	46.7	Very low	106 Å²	106	114.1 Å²	114.1	72%	0.716	62%	0.624	S	S	*	*			trans	-62.9	75.7	149.4	-88	0	0	0	0	104.3	I21 P25	I21-C23 HydrophobicContact CG2-CB 4.48Å; I21-C23 PolarHBondContact O-N 3.05Å; C23-P25 VanDerWaalsContact C-N 3.29Å; C23-P25 WeakPolarHBondContact O-CD 3.47Å; C23-P25 VanDerWaalsContact O-N 3.08Å
24	L	33.4	Very low	49.1	Very low	126 Å²	126	109.5 Å²	109.5	66%	0.66	60%	0.595	S	S	*	*			trans	-56.9	111.8	146.4	-70.2	173.5	0	0	0	102.1	N22 V26	N22-L24 PolarHBondContact O-N 3.28Å; L24-V26 PolarHBondContact O-N 2.93Å
25	P	40.3	Very low	51.5	Low	104 Å²	104	104.8 Å²	104.8	68%	0.675	57%	0.565	S	S	*	*			trans	-51	122.3	164.5	23.7	-30.4	0	0	0	103.1	C23 K27	C23-P25 VanDerWaalsContact C-N 3.29Å; C23-P25 WeakPolarHBondContact O-CD 3.47Å; C23-P25 VanDerWaalsContact O-N 3.08Å; P25-K27 VanDerWaalsContact O-CA 3.29Å; P25-K27 WeakPolarHBondContact O-CA 3.36Å; P25-K27 PolarHBondContact O-N 2.75Å
26	V	46.6	Very low	54.1	Low	38 Å²	38	99.2 Å²	99.2	23%	0.23	55%	0.546	C	S	.	.			trans	-37.3	102.5	174.8	161.8	0	0	0	0	105.1	L24 D28 M47	L24-V26 PolarHBondContact O-N 2.93Å; V26-D28 HydrophobicContact CG1-CB 3.45Å; V26-D28 VanDerWaalsContact CG1-CB 3.45Å; V26-D28 PolarHBondContact O-N 2.9Å; V26-M47 HydrophobicContact CB-CE 4.43Å; V26-M47 HydrophobicContact CG1-CE 3.27Å; V26-M47 HydrophobicContact CG1-SD 4.26Å; V26-M47 HydrophobicContact CG2-CE 4.32Å
27	K	40.3	Very low	56.9	Low	197 Å²	197	94.6 Å²	94.6	86%	0.857	52%	0.517	S	S	*	.			trans	-82.5	47.9	-167.3	-143.8	-167.2	-166.5	-172.1	0	106.1	P25	P25-K27 VanDerWaalsContact O-CA 3.29Å; P25-K27 WeakPolarHBondContact O-CA 3.36Å; P25-K27 PolarHBondContact O-N 2.75Å
28	D	51.7	Low	59.5	Low	39 Å²	39	93.7 Å²	93.7	21%	0.209	51%	0.511	C	S	.	.			trans	-81.4	123.7	-176.1	-175.5	20	0	0	0	104.3	V26 V30 R35 F43	V26-D28 HydrophobicContact CG1-CB 3.45Å; V26-D28 VanDerWaalsContact CG1-CB 3.45Å; V26-D28 PolarHBondContact O-N 2.9Å; D28-V30 HydrophobicContact CB-CG2 3.68Å; D28-V30 PolarHBondContact O-N 2.8Å; D28-V30 WeakPolarHBondContact OD2-CG2 3.4Å; D28-R35 IonicContact OD1-CZ 3.62Å; D28-R35 IonicContact OD1-NE 3.59Å; D28-R35 IonicContact OD1-NH2 3.58Å; D28-R35 PolarHBondContact OD1-NH2 3.28Å; D28-R35 IonicContact OD2-CZ 3.29Å; D28-R35 IonicContact OD2-NH2 2.98Å; D28-R35 PolarHBondContact OD2-NH2 2.95Å; D28-F43 WeakPolarHBondContact OD2-CE2 3.26Å
29	E	46.6	Very low	62.3	Low	158 Å²	158	91 Å²	91	74%	0.738	49%	0.491	S	S	*	.			trans	-67.2	47.1	165.9	-63.9	-177.8	165.4	0	0	109.3	G31	E29-G31 PolarHBondContact O-N 2.81Å
30	V	51.9	Low	65	Low	57 Å²	57	85.8 Å²	85.8	35%	0.345	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	121.5	163.1	-173.2	0	0	0	0	105.6	D28 H108	D28-V30 HydrophobicContact CB-CG2 3.68Å; D28-V30 PolarHBondContact O-N 2.8Å; D28-V30 WeakPolarHBondContact OD2-CG2 3.4Å; V30-H108 WeakPolarHBondContact CG1-CD2 3.33Å; V30-H108 WeakPolarHBondContact CG1-NE2 3.4Å
31	G	61.1	Low	67.9	Low	45 Å²	45	83 Å²	83	46%	0.464	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.9	11.7	161.2	0	0	0	0	0	117.9	E29 Y281	E29-G31 PolarHBondContact O-N 2.81Å; G31-Y281 WeakPolarHBondContact CA-OH 3.34Å; G31-Y281 PolarHBondContact N-OH 2.9Å; G31-Y281 VanDerWaalsContact N-OH 3.09Å; G31-Y281 WeakPolarHBondContact O-CE1 3.45Å
32	V	77.4	Confident	70.6	Confident	117 Å²	117	80.5 Å²	80.5	71%	0.709	43%	0.427	S	S	*	.	S	Bend	trans	-112.6	-36.7	176.2	-163	0	0	0	0	114.2	Y281	V32-Y281 WeakPolarHBondContact O-CD1 3.45Å
33	R	91.6	Very high	73.5	Confident	118 Å²	118	74.9 Å²	74.9	45%	0.445	40%	0.396	S	S	.	.	S	Bend	trans	-159.2	166.6	179.4	62.1	175	175.1	81.3	1.5	111.9	E39 Y281	R33-E39 IonicContact CZ-OE1 3.46Å; R33-E39 IonicContact CZ-OE2 3.86Å; R33-E39 IonicContact NH1-OE1 3.4Å; R33-E39 PolarHBondContact NH1-OE1 2.77Å; R33-E39 IonicContact NH1-OE2 3.5Å; R33-E39 PolarHBondContact NH1-OE2 3.49Å; R33-E39 IonicContact NH2-OE1 2.65Å; R33-E39 PolarHBondContact NH2-OE1 3.06Å; R33-E39 IonicContact NH2-OE2 3.22Å; R33-Y281 VanDerWaalsContact O-CE2 3.28Å; R33-Y281 WeakPolarHBondContact O-CE2 3.26Å
34	Y	95.2	Very high	76	Confident	9 Å²	9	69.8 Å²	69.8	4%	0.035	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-63.6	136.2	171.2	-65.7	-79	0	0	0	110.8	V100 E104 E148 Y278 P279 Y281 F284	Y34-V100 HydrophobicContact CD1-CG1 3.53Å; Y34-V100 HydrophobicContact CE1-CB 4.44Å; Y34-V100 HydrophobicContact CE1-CG1 3.77Å; Y34-V100 HydrophobicContact CG-CG1 4.17Å; Y34-E104 HydrophobicContact CD1-CB 4.04Å; Y34-E104 HydrophobicContact CD1-CG 4.05Å; Y34-E104 HydrophobicContact CE1-CB 4.06Å; Y34-E104 HydrophobicContact CE1-CG 4.23Å; Y34-E148 HydrophobicContact CD2-CG 4.33Å; Y34-E148 HydrophobicContact CE2-CG 4.29Å; Y34-Y278 HydrophobicContact CD1-CE2 4.49Å; Y34-Y278 HydrophobicContact CD2-CD2 4.41Å; Y34-Y278 AromaticContact CD2-CE2 3.5Å; Y34-Y278 HydrophobicContact CD2-CE2 3.5Å; Y34-Y278 HydrophobicContact CE2-CD2 4.12Å; Y34-Y278 AromaticContact CE2-CE2 3.64Å; Y34-Y278 HydrophobicContact CE2-CE2 3.64Å; Y34-Y278 AromaticContact CG-CE2 3.94Å; Y34-Y278 HydrophobicContact CG-CE2 3.94Å; Y34-P279 WeakPolarHBondContact CE2-O 3.5Å; Y34-P279 PolarHBondContact OH-O 3.4Å; Y34-Y281 AromaticContact CD1-CD2 3.89Å; Y34-Y281 HydrophobicContact CD1-CD2 3.89Å; Y34-Y281 HydrophobicContact CD1-CE2 4.39Å; Y34-Y281 AromaticContact CD2-CD2 3.71Å; Y34-Y281 HydrophobicContact CD2-CD2 3.71Å; Y34-Y281 HydrophobicContact CD2-CG 4.24Å; Y34-Y281 HydrophobicContact CE1-CD2 4.02Å; Y34-Y281 VanDerWaalsContact CE2-CA 3.49Å; Y34-Y281 AromaticContact CE2-CD2 3.84Å; Y34-Y281 HydrophobicContact CE2-CD2 3.84Å; Y34-Y281 HydrophobicContact CE2-CG 4.24Å; Y34-Y281 AromaticContact CG-CD2 3.75Å; Y34-Y281 HydrophobicContact CG-CD2 3.75Å; Y34-Y281 AromaticContact CZ-CD2 4Å; Y34-F284 HydrophobicContact CE1-CD2 4.39Å
35	R	93.8	Very high	79.1	Confident	18 Å²	18	66.7 Å²	66.7	7%	0.068	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-74.3	136.3	178.4	-69.8	176.3	179	94.4	-6.9	110.5	D28 E39 R103 E104 L107 F143	D28-R35 IonicContact OD1-CZ 3.62Å; D28-R35 IonicContact OD1-NE 3.59Å; D28-R35 IonicContact OD1-NH2 3.58Å; D28-R35 PolarHBondContact OD1-NH2 3.28Å; D28-R35 IonicContact OD2-CZ 3.29Å; D28-R35 IonicContact OD2-NH2 2.98Å; D28-R35 PolarHBondContact OD2-NH2 2.95Å; R35-E39 HydrophobicContact CB-CB 4Å; R35-E39 HydrophobicContact CG-CB 4.36Å; R35-R103 VanDerWaalsContact O-CZ 3.23Å; R35-R103 PolarHBondContact O-NH1 2.89Å; R35-R103 PolarHBondContact O-NH2 2.97Å; R35-E104 IonicContact CZ-OE1 3.24Å; R35-E104 PolarHBondContact N-OE2 2.97Å; R35-E104 IonicContact NH1-OE1 2.66Å; R35-E104 PolarHBondContact NH1-OE1 3.15Å; R35-L107 HydrophobicContact CB-CD1 4.41Å; R35-F143 WeakPolarHBondContact O-CZ 2.99Å
36	T	96	Very high	81.8	Confident	62 Å²	62	64.5 Å²	64.5	38%	0.38	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-65.1	165.9	167.5	62.1	0	0	0	0	110.6	K38 E39 L40 R103	T36-K38 VanDerWaalsContact C-N 3.26Å; T36-K38 PolarHBondContact O-N 2.74Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.29Å; T36-E39 PolarHBondContact N-OE2 2.6Å; T36-E39 PolarHBondContact O-N 2.78Å; T36-E39 VanDerWaalsContact O-N 3.16Å; T36-E39 VanDerWaalsContact OG1-CG 3.26Å; T36-E39 WeakPolarHBondContact OG1-CG 3.3Å; T36-E39 PolarHBondContact OG1-N 3.42Å; T36-E39 PolarHBondContact OG1-OE2 2.81Å; T36-L40 WeakPolarHBondContact O-CB 3.47Å; T36-L40 PolarHBondContact O-N 2.84Å; T36-R103 PolarHBondContact O-NH2 2.86Å
37	N	97.2	Very high	84.1	Confident	16 Å²	16	62.9 Å²	62.9	9%	0.086	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-37.5	177.4	-69.4	-24.5	0	0	0	112.8	L40 E41 R103 P140 F143 N144	N37-L40 PolarHBondContact O-N 3Å; N37-E41 PolarHBondContact O-N 2.62Å; N37-R103 PolarHBondContact OD1-NH2 2.71Å; N37-P140 WeakPolarHBondContact ND2-CA 3.32Å; N37-P140 VanDerWaalsContact ND2-CB 3.27Å; N37-P140 WeakPolarHBondContact ND2-CB 3.47Å; N37-P140 PolarHBondContact ND2-O 2.8Å; N37-F143 VanDerWaalsContact OD1-CD1 3.29Å; N37-F143 WeakPolarHBondContact OD1-CD1 3.31Å; N37-N144 VanDerWaalsContact ND2-CG 3.34Å; N37-N144 PolarHBondContact ND2-ND2 2.85Å; N37-N144 PolarHBondContact ND2-OD1 2.87Å
38	K	96.3	Very high	86.8	Confident	152 Å²	152	54.1 Å²	54.1	66%	0.661	28%	0.284	S	S	*	.	H	α-helix	trans	-65.5	-40.5	175.6	-175.1	175	-178.5	177.9	0	112.3	T36 N42	T36-K38 VanDerWaalsContact C-N 3.26Å; T36-K38 PolarHBondContact O-N 2.74Å; K38-N42 WeakPolarHBondContact O-CB 3.49Å; K38-N42 PolarHBondContact O-N 2.88Å; K38-N42 PolarHBondContact O-ND2 3.41Å
39	E	95.3	Very high	89	Confident	61 Å²	61	58.1 Å²	58.1	29%	0.285	31%	0.306	S	S	.	.	H	α-helix	trans	-70.4	-37.3	177.7	-72	163.2	158.8	0	0	112.1	R33 R35 T36 N42 F43	R33-E39 IonicContact CZ-OE1 3.46Å; R33-E39 IonicContact CZ-OE2 3.86Å; R33-E39 IonicContact NH1-OE1 3.4Å; R33-E39 PolarHBondContact NH1-OE1 2.77Å; R33-E39 IonicContact NH1-OE2 3.5Å; R33-E39 PolarHBondContact NH1-OE2 3.49Å; R33-E39 IonicContact NH2-OE1 2.65Å; R33-E39 PolarHBondContact NH2-OE1 3.06Å; R33-E39 IonicContact NH2-OE2 3.22Å; R35-E39 HydrophobicContact CB-CB 4Å; R35-E39 HydrophobicContact CG-CB 4.36Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.29Å; T36-E39 PolarHBondContact N-OE2 2.6Å; T36-E39 PolarHBondContact O-N 2.78Å; T36-E39 VanDerWaalsContact O-N 3.16Å; T36-E39 VanDerWaalsContact OG1-CG 3.26Å; T36-E39 WeakPolarHBondContact OG1-CG 3.3Å; T36-E39 PolarHBondContact OG1-N 3.42Å; T36-E39 PolarHBondContact OG1-OE2 2.81Å; E39-N42 PolarHBondContact O-N 3.14Å; E39-F43 WeakPolarHBondContact O-CB 3.21Å; E39-F43 PolarHBondContact O-N 2.91Å
40	L	96.2	Very high	91.3	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-49.3	172.7	-175.9	159.6	0	0	0	110.8	T36 N37 F43 L44 M70 R103 L107 P136	T36-L40 WeakPolarHBondContact O-CB 3.47Å; T36-L40 PolarHBondContact O-N 2.84Å; N37-L40 PolarHBondContact O-N 3Å; L40-F43 WeakPolarHBondContact O-CB 3.2Å; L40-F43 PolarHBondContact O-N 3.27Å; L40-L44 HydrophobicContact CD2-CD1 3.75Å; L40-L44 HydrophobicContact CD2-CG 4.24Å; L40-L44 WeakPolarHBondContact O-CG 3.2Å; L40-L44 PolarHBondContact O-N 2.7Å; L40-M70 HydrophobicContact CD2-CB 4.32Å; L40-R103 HydrophobicContact CD1-CG 4.03Å; L40-L107 HydrophobicContact CB-CD1 4.49Å; L40-L107 HydrophobicContact CD1-CD1 4.08Å; L40-L107 HydrophobicContact CD1-CD2 4.31Å; L40-L107 HydrophobicContact CG-CD1 4.01Å; L40-L107 HydrophobicContact CG-CD2 3.93Å; L40-P136 HydrophobicContact CD1-CB 4.05Å
41	E	97.1	Very high	93.5	Very high	51 Å²	51	54.4 Å²	54.4	24%	0.238	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-49.6	177.3	179.2	170.4	-170.3	0	0	111.6	N37 F43 L44 I45 N68 M70	N37-E41 PolarHBondContact O-N 2.62Å; E41-F43 VanDerWaalsContact C-N 3.3Å; E41-F43 PolarHBondContact O-N 2.87Å; E41-L44 PolarHBondContact O-N 2.63Å; E41-I45 HydrophobicContact CG-CD1 3.91Å; E41-I45 WeakPolarHBondContact O-CG1 3.16Å; E41-I45 PolarHBondContact O-N 3.16Å; E41-N68 PolarHBondContact OE1-ND2 2.88Å; E41-M70 HydrophobicContact CB-CG 4.1Å; E41-M70 HydrophobicContact CG-CE 4.22Å; E41-M70 HydrophobicContact CG-CG 3.96Å; E41-M70 HydrophobicContact CG-SD 4.12Å
42	N	96.4	Very high	95.2	Very high	80 Å²	80	56.5 Å²	56.5	43%	0.428	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-39.7	177.1	-72.5	-17.8	0	0	0	112.5	K38 E39 T46	K38-N42 WeakPolarHBondContact O-CB 3.49Å; K38-N42 PolarHBondContact O-N 2.88Å; K38-N42 PolarHBondContact O-ND2 3.41Å; E39-N42 PolarHBondContact O-N 3.14Å; N42-T46 VanDerWaalsContact O-CB 3.31Å; N42-T46 WeakPolarHBondContact O-CB 3.23Å; N42-T46 PolarHBondContact O-N 3.08Å; N42-T46 PolarHBondContact O-OG1 2.84Å
43	F	95.3	Very high	96.2	Very high	11 Å²	11	54.9 Å²	54.9	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-49.3	176.6	165.3	-100	0	0	0	110.9	D28 E39 L40 E41 I45 T46 M47 L107 L110	D28-F43 WeakPolarHBondContact OD2-CE2 3.26Å; E39-F43 WeakPolarHBondContact O-CB 3.21Å; E39-F43 PolarHBondContact O-N 2.91Å; L40-F43 WeakPolarHBondContact O-CB 3.2Å; L40-F43 PolarHBondContact O-N 3.27Å; E41-F43 VanDerWaalsContact C-N 3.3Å; E41-F43 PolarHBondContact O-N 2.87Å; F43-I45 PolarHBondContact O-N 2.78Å; F43-T46 PolarHBondContact O-N 2.87Å; F43-M47 HydrophobicContact CD2-CE 3.83Å; F43-M47 HydrophobicContact CD2-CG 4.24Å; F43-M47 HydrophobicContact CE1-CG 4.19Å; F43-M47 HydrophobicContact CE2-CE 3.41Å; F43-M47 VanDerWaalsContact CE2-CE 3.41Å; F43-M47 HydrophobicContact CE2-CG 3.8Å; F43-M47 HydrophobicContact CE2-SD 4.03Å; F43-M47 HydrophobicContact CZ-CE 4.24Å; F43-M47 HydrophobicContact CZ-CG 3.78Å; F43-M47 HydrophobicContact CZ-SD 4.28Å; F43-M47 WeakPolarHBondContact O-CG 3.41Å; F43-M47 PolarHBondContact O-N 3.2Å; F43-L107 HydrophobicContact CD1-CB 4.4Å; F43-L107 HydrophobicContact CD1-CD2 3.92Å; F43-L107 HydrophobicContact CE1-CB 3.88Å; F43-L107 HydrophobicContact CE1-CD2 3.91Å; F43-L107 HydrophobicContact CE1-CG 4.42Å; F43-L107 HydrophobicContact CZ-CB 4.46Å; F43-L107 WeakPolarHBondContact CZ-O 3.29Å; F43-L110 HydrophobicContact CE1-CD2 3.82Å; F43-L110 HydrophobicContact CZ-CD2 4.2Å
44	L	97.2	Very high	96.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-47.4	178.8	-69.6	-174	0	0	0	111.5	L40 E41 T46 M47 A48 T57 M70 V72 L107 L110 P136	L40-L44 HydrophobicContact CD2-CD1 3.75Å; L40-L44 HydrophobicContact CD2-CG 4.24Å; L40-L44 WeakPolarHBondContact O-CG 3.2Å; L40-L44 PolarHBondContact O-N 2.7Å; E41-L44 PolarHBondContact O-N 2.63Å; L44-T46 VanDerWaalsContact C-N 3.32Å; L44-T46 PolarHBondContact O-N 3.38Å; L44-M47 PolarHBondContact O-N 3.07Å; L44-A48 PolarHBondContact O-N 3.42Å; L44-T57 VanDerWaalsContact C-CG2 3.49Å; L44-T57 HydrophobicContact CB-CG2 4Å; L44-T57 WeakPolarHBondContact O-CG2 3.36Å; L44-M70 HydrophobicContact CD1-CB 3.76Å; L44-V72 HydrophobicContact CD1-CB 4.46Å; L44-V72 HydrophobicContact CD2-CB 4Å; L44-V72 HydrophobicContact CD2-CG1 3.85Å; L44-V72 HydrophobicContact CD2-CG2 4.45Å; L44-L107 HydrophobicContact CD2-CD2 4.21Å; L44-L110 HydrophobicContact CD2-CD2 3.53Å; L44-P136 HydrophobicContact CD1-CG 4.43Å
45	I	97.5	Very high	96.7	Very high	60 Å²	60	50.9 Å²	50.9	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-56.8	-47.5	175.7	-68	167.8	0	0	0	110.6	E41 F43 M47 A48 D49	E41-I45 HydrophobicContact CG-CD1 3.91Å; E41-I45 WeakPolarHBondContact O-CG1 3.16Å; E41-I45 PolarHBondContact O-N 3.16Å; F43-I45 PolarHBondContact O-N 2.78Å; I45-M47 VanDerWaalsContact C-N 3.33Å; I45-M47 PolarHBondContact O-N 2.99Å; I45-A48 PolarHBondContact O-N 3.09Å; I45-A48 VanDerWaalsContact O-N 3.14Å; I45-D49 PolarHBondContact O-N 3.08Å
46	T	96.4	Very high	96.9	Very high	59 Å²	59	53.1 Å²	53.1	36%	0.362	28%	0.275	S	S	.	.	H	α-helix	trans	-60.2	-41.9	179.1	-58.1	0	0	0	0	111.8	N42 F43 L44 A48 D49 Q50	N42-T46 VanDerWaalsContact O-CB 3.31Å; N42-T46 WeakPolarHBondContact O-CB 3.23Å; N42-T46 PolarHBondContact O-N 3.08Å; N42-T46 PolarHBondContact O-OG1 2.84Å; F43-T46 PolarHBondContact O-N 2.87Å; L44-T46 VanDerWaalsContact C-N 3.32Å; L44-T46 PolarHBondContact O-N 3.38Å; T46-A48 VanDerWaalsContact C-N 3.34Å; T46-A48 PolarHBondContact O-N 3.18Å; T46-D49 PolarHBondContact O-N 2.97Å; T46-Q50 HydrophobicContact CG2-CG 4.36Å; T46-Q50 WeakPolarHBondContact O-CB 3.44Å; T46-Q50 VanDerWaalsContact O-CG 3.27Å; T46-Q50 WeakPolarHBondContact O-CG 3.48Å; T46-Q50 PolarHBondContact O-N 3.43Å
47	M	95.4	Very high	97	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-38.3	176.7	-67.9	-62	129	0	0	112	V26 F43 L44 I45 H51 V55 L110 L114	V26-M47 HydrophobicContact CB-CE 4.43Å; V26-M47 HydrophobicContact CG1-CE 3.27Å; V26-M47 HydrophobicContact CG1-SD 4.26Å; V26-M47 HydrophobicContact CG2-CE 4.32Å; F43-M47 HydrophobicContact CD2-CE 3.83Å; F43-M47 HydrophobicContact CD2-CG 4.24Å; F43-M47 HydrophobicContact CE1-CG 4.19Å; F43-M47 HydrophobicContact CE2-CE 3.41Å; F43-M47 VanDerWaalsContact CE2-CE 3.41Å; F43-M47 HydrophobicContact CE2-CG 3.8Å; F43-M47 HydrophobicContact CE2-SD 4.03Å; F43-M47 HydrophobicContact CZ-CE 4.24Å; F43-M47 HydrophobicContact CZ-CG 3.78Å; F43-M47 HydrophobicContact CZ-SD 4.28Å; F43-M47 WeakPolarHBondContact O-CG 3.41Å; F43-M47 PolarHBondContact O-N 3.2Å; L44-M47 PolarHBondContact O-N 3.07Å; I45-M47 VanDerWaalsContact C-N 3.33Å; I45-M47 PolarHBondContact O-N 2.99Å; M47-H51 WeakPolarHBondContact O-CB 3.02Å; M47-H51 PolarHBondContact O-N 3.28Å; M47-V55 HydrophobicContact CB-CG1 4.27Å; M47-L110 HydrophobicContact CB-CD2 3.9Å; M47-L110 HydrophobicContact CG-CD2 3.78Å; M47-L110 HydrophobicContact CG-CG 4.3Å; M47-L114 HydrophobicContact CB-CD1 4.39Å; M47-L114 HydrophobicContact SD-CD1 3.92Å
48	A	97.6	Very high	97	Very high	13 Å²	13	52.6 Å²	52.6	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-67.5	-42.3	174.2	0	0	0	0	0	112.8	L44 I45 T46 Q50 H51 P52 V55 T57	L44-A48 PolarHBondContact O-N 3.42Å; I45-A48 PolarHBondContact O-N 3.09Å; I45-A48 VanDerWaalsContact O-N 3.14Å; T46-A48 VanDerWaalsContact C-N 3.34Å; T46-A48 PolarHBondContact O-N 3.18Å; A48-Q50 VanDerWaalsContact C-N 3.3Å; A48-Q50 PolarHBondContact O-N 2.93Å; A48-H51 CarbonylContact O-C 3.54Å; A48-H51 PolarHBondContact O-N 3.2Å; A48-P52 VanDerWaalsContact O-CA 3.25Å; A48-P52 WeakPolarHBondContact O-CA 3.48Å; A48-P52 WeakPolarHBondContact O-CD 3.38Å; A48-V55 HydrophobicContact CB-CB 4.47Å; A48-V55 HydrophobicContact CB-CG1 3.99Å; A48-T57 HydrophobicContact CB-CG2 3.49Å; A48-T57 VanDerWaalsContact CB-CG2 3.49Å
49	D	97.1	Very high	97.1	Very high	123 Å²	123	47.8 Å²	47.8	66%	0.658	25%	0.254	S	S	*	.	H	α-helix	trans	-65.5	-35.4	178.9	-70.5	-16.4	0	0	0	111.8	I45 T46	I45-D49 PolarHBondContact O-N 3.08Å; T46-D49 PolarHBondContact O-N 2.97Å
50	Q	96.3	Very high	97.2	Very high	90 Å²	90	45.8 Å²	45.8	42%	0.421	25%	0.245	S	C	.	.	H	α-helix	trans	-79.3	-28.1	178.3	-71.5	176.8	-12.1	0	0	113.4	T46 A48	T46-Q50 HydrophobicContact CG2-CG 4.36Å; T46-Q50 WeakPolarHBondContact O-CB 3.44Å; T46-Q50 VanDerWaalsContact O-CG 3.27Å; T46-Q50 WeakPolarHBondContact O-CG 3.48Å; T46-Q50 PolarHBondContact O-N 3.43Å; A48-Q50 VanDerWaalsContact C-N 3.3Å; A48-Q50 PolarHBondContact O-N 2.93Å
51	H	97.4	Very high	97.3	Very high	47 Å²	47	46.6 Å²	46.6	22%	0.218	26%	0.255	C	S	.	.			trans	-133.4	55.9	-175.5	-57	-78.8	0	0	0	112.6	M47 A48 D53 K54 V55 L114	M47-H51 WeakPolarHBondContact O-CB 3.02Å; M47-H51 PolarHBondContact O-N 3.28Å; A48-H51 CarbonylContact O-C 3.54Å; A48-H51 PolarHBondContact O-N 3.2Å; H51-D53 PolarHBondContact O-N 3.01Å; H51-D53 VanDerWaalsContact O-N 3.12Å; H51-K54 PolarHBondContact O-N 3.19Å; H51-V55 HydrophobicContact CB-CB 4.36Å; H51-V55 HydrophobicContact CB-CG2 3.87Å; H51-V55 PolarHBondContact O-N 3.05Å; H51-L114 HydrophobicContact CB-CD2 4.14Å
52	P	97.3	Very high	97.3	Very high	89 Å²	89	50 Å²	50	58%	0.578	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.4	-171.1	26.8	-36.3	0	0	0	113.9	A48 K54	A48-P52 VanDerWaalsContact O-CA 3.25Å; A48-P52 WeakPolarHBondContact O-CA 3.48Å; A48-P52 WeakPolarHBondContact O-CD 3.38Å; P52-K54 VanDerWaalsContact C-N 3.34Å
53	D	97.3	Very high	97.4	Very high	82 Å²	82	46.5 Å²	46.5	44%	0.439	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.2	176	65.7	-49.2	0	0	0	113.2	H51 P79	H51-D53 PolarHBondContact O-N 3.01Å; H51-D53 VanDerWaalsContact O-N 3.12Å; D53-P79 VanDerWaalsContact O-CD 3.28Å; D53-P79 WeakPolarHBondContact O-CD 3.24Å
54	K	98.3	Very high	97.6	Very high	39 Å²	39	47.9 Å²	47.9	17%	0.17	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-21.3	-176.2	-66	-179.7	-176.7	65.8	0	115	H51 P52 V74 A75 P79 L114 Y117 M127	H51-K54 PolarHBondContact O-N 3.19Å; P52-K54 VanDerWaalsContact C-N 3.34Å; K54-V74 VanDerWaalsContact O-CA 3.29Å; K54-V74 WeakPolarHBondContact O-CA 3.47Å; K54-A75 WeakPolarHBondContact CA-O 3.5Å; K54-A75 WeakPolarHBondContact CB-O 3.27Å; K54-A75 PolarHBondContact O-N 3.21Å; K54-P79 WeakPolarHBondContact O-CB 3.42Å; K54-L114 HydrophobicContact CB-CD2 4.12Å; K54-Y117 HydrophobicContact CD-CD1 4.21Å; K54-Y117 VanDerWaalsContact CE-CD1 3.41Å; K54-Y117 VanDerWaalsContact CE-CE1 3.47Å; K54-M127 HydrophobicContact CD-CE 4.24Å
55	V	98.6	Very high	97.6	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.3	-174.8	-176.2	0	0	0	0	110.1	M47 A48 H51 T57 V72 A73 L110 L114	M47-V55 HydrophobicContact CB-CG1 4.27Å; A48-V55 HydrophobicContact CB-CB 4.47Å; A48-V55 HydrophobicContact CB-CG1 3.99Å; H51-V55 HydrophobicContact CB-CB 4.36Å; H51-V55 HydrophobicContact CB-CG2 3.87Å; H51-V55 PolarHBondContact O-N 3.05Å; V55-T57 HydrophobicContact CG1-CG2 4.25Å; V55-V72 HydrophobicContact CG1-CG2 3.52Å; V55-A73 WeakPolarHBondContact CA-O 3.42Å; V55-L110 HydrophobicContact CG2-CD1 4.22Å; V55-L114 HydrophobicContact CG2-CD1 3.8Å; V55-L114 HydrophobicContact CG2-CD2 3.43Å; V55-L114 VanDerWaalsContact CG2-CD2 3.43Å; V55-L114 HydrophobicContact CG2-CG 4.16Å
56	H	98.5	Very high	97.6	Very high	66 Å²	66	51.2 Å²	51.2	31%	0.306	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128	170.8	175.4	64.8	0	0	0	109.5	F58 V72 A73 P79 H80	H56-F58 AromaticContact CD2-CD1 3.51Å; H56-F58 AromaticContact NE2-CD1 3.72Å; H56-V72 CarbonylContact O-C 3.46Å; H56-V72 WeakPolarHBondContact O-CA 3.19Å; H56-A73 HydrophobicContact CB-CB 4.49Å; H56-A73 PolarHBondContact N-O 2.97Å; H56-A73 PolarHBondContact O-N 3Å; H56-P79 HydrophobicContact CB-CB 3.91Å; H56-P79 HydrophobicContact CB-CG 3.97Å; H56-H80 HydrophobicContact CB-CB 4.02Å
57	T	98.2	Very high	97.7	Very high	26 Å²	26	50.5 Å²	50.5	16%	0.16	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.1	179.3	82.4	0	0	0	0	110.3	L44 A48 V55 A71 V72	L44-T57 VanDerWaalsContact C-CG2 3.49Å; L44-T57 HydrophobicContact CB-CG2 4Å; L44-T57 WeakPolarHBondContact O-CG2 3.36Å; A48-T57 HydrophobicContact CB-CG2 3.49Å; A48-T57 VanDerWaalsContact CB-CG2 3.49Å; V55-T57 HydrophobicContact CG1-CG2 4.25Å; T57-A71 WeakPolarHBondContact CA-O 3.37Å; T57-V72 HydrophobicContact CG2-CB 4.42Å; T57-V72 HydrophobicContact CG2-CG2 4.07Å
58	F	97.9	Very high	97.8	Very high	40 Å²	40	52.8 Å²	52.8	18%	0.175	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	154.9	179.1	53.7	-83.3	0	0	0	109.6	H56 I60 A71 A73 V133 W190	H56-F58 AromaticContact CD2-CD1 3.51Å; H56-F58 AromaticContact NE2-CD1 3.72Å; F58-I60 HydrophobicContact CD2-CG2 3.96Å; F58-I60 HydrophobicContact CE2-CG2 3.67Å; F58-A71 HydrophobicContact CD2-CB 3.89Å; F58-A71 HydrophobicContact CE1-CB 4.17Å; F58-A71 HydrophobicContact CE2-CB 3.37Å; F58-A71 HydrophobicContact CG-CB 4.46Å; F58-A71 HydrophobicContact CZ-CB 3.54Å; F58-A71 PolarHBondContact N-O 2.82Å; F58-A71 PolarHBondContact O-N 2.75Å; F58-A71 VanDerWaalsContact O-O 3.12Å; F58-A73 HydrophobicContact CE1-CB 4.13Å; F58-V133 HydrophobicContact CZ-CG1 4.08Å; F58-W190 AromaticContact CE2-CD1 3.86Å; F58-W190 AromaticContact CE2-CE2 3.74Å; F58-W190 HydrophobicContact CE2-CZ2 4.17Å; F58-W190 AromaticContact CE2-NE1 3.2Å; F58-W190 HydrophobicContact CZ-CZ2 4.09Å; F58-W190 AromaticContact CZ-NE1 3.77Å
59	S	98	Very high	97.8	Very high	52 Å²	52	52.2 Å²	52.2	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.3	169.4	173.6	0	0	0	0	109.4	G61 I69	S59-G61 VanDerWaalsContact C-N 3.32Å; S59-G61 PolarHBondContact OG-N 2.88Å; S59-G61 PolarHBondContact OG-O 3.27Å; S59-I69 WeakPolarHBondContact CA-O 3.33Å
60	I	97.6	Very high	97.9	Very high	18 Å²	18	47 Å²	47	9%	0.092	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-4.4	172.6	64.4	153.8	0	0	0	112.7	F58 I69 A71 I135 A186 F187 W190	F58-I60 HydrophobicContact CD2-CG2 3.96Å; F58-I60 HydrophobicContact CE2-CG2 3.67Å; I60-I69 HydrophobicContact CD1-CB 4.37Å; I60-I69 HydrophobicContact CD1-CG2 3.71Å; I60-I69 HydrophobicContact CG1-CB 3.76Å; I60-I69 HydrophobicContact CG1-CG2 3.54Å; I60-I69 WeakPolarHBondContact CG1-O 3.42Å; I60-I69 PolarHBondContact N-O 2.82Å; I60-A71 HydrophobicContact CG2-CB 3.87Å; I60-I135 HydrophobicContact CD1-CD1 3.73Å; I60-I135 HydrophobicContact CG2-CD1 4.43Å; I60-A186 HydrophobicContact CD1-CB 4.42Å; I60-A186 HydrophobicContact CG1-CB 4.45Å; I60-A186 WeakPolarHBondContact O-CB 3.02Å; I60-F187 HydrophobicContact CD1-CB 4.24Å; I60-F187 HydrophobicContact CD1-CD2 4.29Å; I60-W190 HydrophobicContact CB-CB 3.79Å; I60-W190 HydrophobicContact CB-CD2 4.37Å; I60-W190 HydrophobicContact CB-CG 3.88Å; I60-W190 HydrophobicContact CG2-CB 3.88Å; I60-W190 HydrophobicContact CG2-CD2 3.56Å; I60-W190 HydrophobicContact CG2-CE3 4.17Å; I60-W190 HydrophobicContact CG2-CG 3.36Å
61	G	97.9	Very high	98	Very high	24 Å²	24	42.7 Å²	42.7	25%	0.247	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-166.2	-176.3	0	0	0	0	0	111.7	S59 I69	S59-G61 VanDerWaalsContact C-N 3.32Å; S59-G61 PolarHBondContact OG-N 2.88Å; S59-G61 PolarHBondContact OG-O 3.27Å; G61-I69 PolarHBondContact O-N 3.11Å
62	K	98.3	Very high	98	Very high	124 Å²	124	40.5 Å²	40.5	54%	0.539	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.4	-177.9	-64.4	-170.2	174.1	-159.9	0	111.5	N67 N68 P182	K62-N67 CarbonylContact C-O 3.54Å; K62-N67 VanDerWaalsContact CA-O 3.27Å; K62-N67 WeakPolarHBondContact CA-O 3.13Å; K62-N68 WeakPolarHBondContact CE-OD1 3.19Å; K62-P182 WeakPolarHBondContact O-CB 3.13Å
63	S	98.3	Very high	98.1	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.042	20%	0.2	C	C	.	.			trans	-72.6	175.9	169	69	0	0	0	0	112.2	E65 G66 N67 D141 E183	S63-E65 VanDerWaalsContact C-N 3.31Å; S63-E65 PolarHBondContact O-N 3.42Å; S63-G66 PolarHBondContact O-N 2.95Å; S63-G66 PolarHBondContact OG-N 3.02Å; S63-N67 PolarHBondContact N-O 3.42Å; S63-N67 WeakPolarHBondContact OG-CB 3.4Å; S63-N67 PolarHBondContact OG-N 3.42Å; S63-N67 PolarHBondContact OG-O 2.85Å; S63-D141 VanDerWaalsContact CB-OD1 3.24Å; S63-D141 WeakPolarHBondContact CB-OD1 3.3Å; S63-D141 WeakPolarHBondContact CB-OD2 2.87Å; S63-D141 PolarHBondContact OG-OD1 3.37Å; S63-D141 PolarHBondContact OG-OD2 3.21Å; S63-E183 VanDerWaalsContact CA-OE1 3.28Å; S63-E183 WeakPolarHBondContact CA-OE1 3.36Å; S63-E183 WeakPolarHBondContact CB-OE1 3.41Å
64	V	97.9	Very high	98.1	Very high	40 Å²	40	32.4 Å²	32.4	24%	0.242	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-44	175.4	173.3	0	0	0	0	112.2	G66 D141 K160 H161 P182 E183	V64-G66 PolarHBondContact O-N 2.86Å; V64-D141 WeakPolarHBondContact CB-OD2 3.44Å; V64-D141 PolarHBondContact N-OD2 3.39Å; V64-K160 HydrophobicContact CB-CB 3.78Å; V64-K160 HydrophobicContact CB-CG 4.32Å; V64-K160 HydrophobicContact CG1-CB 3.73Å; V64-K160 HydrophobicContact CG1-CG 3.73Å; V64-K160 HydrophobicContact CG2-CB 4.34Å; V64-H161 VanDerWaalsContact CG1-CE1 3.47Å; V64-H161 WeakPolarHBondContact CG1-CE1 3.24Å; V64-H161 VanDerWaalsContact CG1-NE2 3.27Å; V64-H161 WeakPolarHBondContact CG1-NE2 3.35Å; V64-H161 WeakPolarHBondContact CG2-ND1 3.46Å; V64-P182 HydrophobicContact CG2-CG 3.87Å; V64-E183 PolarHBondContact N-OE1 2.97Å
65	E	97.7	Very high	98.2	Very high	95 Å²	95	30.5 Å²	30.5	44%	0.444	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	5.6	178.2	-61.3	-171.4	141.5	0	0	113.2	S63 D141 K160	S63-E65 VanDerWaalsContact C-N 3.31Å; S63-E65 PolarHBondContact O-N 3.42Å; E65-D141 HydrophobicContact CG-CB 4.45Å; E65-D141 PolarHBondContact N-OD2 3.01Å; E65-K160 HydrophobicContact CG-CB 4.21Å; E65-K160 HydrophobicContact CG-CD 4.08Å; E65-K160 HydrophobicContact CG-CG 3.86Å; E65-K160 VanDerWaalsContact OE1-CD 3.3Å; E65-K160 WeakPolarHBondContact OE1-CD 3.49Å; E65-K160 WeakPolarHBondContact OE1-CE 3.42Å; E65-K160 IonicContact OE1-NZ 3.55Å; E65-K160 PolarHBondContact OE1-NZ 3.22Å
66	G	97.7	Very high	98.1	Very high	35 Å²	35	31.1 Å²	31.1	36%	0.361	18%	0.176	S	C	.	.			trans	84.2	11.3	174.4	0	0	0	0	0	115	S63 V64	S63-G66 PolarHBondContact O-N 2.95Å; S63-G66 PolarHBondContact OG-N 3.02Å; V64-G66 PolarHBondContact O-N 2.86Å
67	N	97.9	Very high	98.1	Very high	44 Å²	44	30 Å²	30	24%	0.235	18%	0.176	C	C	.	.			trans	-69.2	137.6	173.1	-64.1	-72.5	0	0	0	109.8	K62 S63 I69 P140 D141	K62-N67 CarbonylContact C-O 3.54Å; K62-N67 VanDerWaalsContact CA-O 3.27Å; K62-N67 WeakPolarHBondContact CA-O 3.13Å; S63-N67 PolarHBondContact N-O 3.42Å; S63-N67 WeakPolarHBondContact OG-CB 3.4Å; S63-N67 PolarHBondContact OG-N 3.42Å; S63-N67 PolarHBondContact OG-O 2.85Å; N67-I69 PolarHBondContact O-N 2.79Å; N67-P140 HydrophobicContact CB-CB 3.89Å; N67-P140 HydrophobicContact CB-CG 3.84Å; N67-D141 PolarHBondContact ND2-OD1 3.2Å
68	N	98.1	Very high	98	Very high	51 Å²	51	32.2 Å²	32.2	27%	0.273	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.7	175.6	-71.7	-34	0	0	0	110.1	E41 K62 M70	E41-N68 PolarHBondContact OE1-ND2 2.88Å; K62-N68 WeakPolarHBondContact CE-OD1 3.19Å; N68-M70 HydrophobicContact CB-CG 4.04Å; N68-M70 HydrophobicContact CB-SD 3.71Å; N68-M70 PolarHBondContact O-N 3.02Å
69	I	98.5	Very high	98	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	93.1	170.5	-54	171.7	0	0	0	106.5	S59 I60 G61 N67 I135 P140 E183 A186	S59-I69 WeakPolarHBondContact CA-O 3.33Å; I60-I69 HydrophobicContact CD1-CB 4.37Å; I60-I69 HydrophobicContact CD1-CG2 3.71Å; I60-I69 HydrophobicContact CG1-CB 3.76Å; I60-I69 HydrophobicContact CG1-CG2 3.54Å; I60-I69 WeakPolarHBondContact CG1-O 3.42Å; I60-I69 PolarHBondContact N-O 2.82Å; G61-I69 PolarHBondContact O-N 3.11Å; N67-I69 PolarHBondContact O-N 2.79Å; I69-I135 HydrophobicContact CG2-CG2 3.85Å; I69-P140 HydrophobicContact CG1-CG 4.37Å; I69-E183 HydrophobicContact CD1-CB 3.93Å; I69-E183 HydrophobicContact CD1-CG 3.93Å; I69-A186 HydrophobicContact CD1-CB 3.93Å
70	M	98	Very high	98	Very high	13 Å²	13	32.6 Å²	32.6	6%	0.064	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.9	-171.8	-66.3	-59	-67.5	0	0	111.7	L40 E41 L44 N68 P136	L40-M70 HydrophobicContact CD2-CB 4.32Å; E41-M70 HydrophobicContact CB-CG 4.1Å; E41-M70 HydrophobicContact CG-CE 4.22Å; E41-M70 HydrophobicContact CG-CG 3.96Å; E41-M70 HydrophobicContact CG-SD 4.12Å; L44-M70 HydrophobicContact CD1-CB 3.76Å; N68-M70 HydrophobicContact CB-CG 4.04Å; N68-M70 HydrophobicContact CB-SD 3.71Å; N68-M70 PolarHBondContact O-N 3.02Å; M70-P136 WeakPolarHBondContact O-CD 3.44Å
71	A	98.4	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.2	172.2	0	0	0	0	0	110.3	T57 F58 I60 M134 I135	T57-A71 WeakPolarHBondContact CA-O 3.37Å; F58-A71 HydrophobicContact CD2-CB 3.89Å; F58-A71 HydrophobicContact CE1-CB 4.17Å; F58-A71 HydrophobicContact CE2-CB 3.37Å; F58-A71 HydrophobicContact CG-CB 4.46Å; F58-A71 HydrophobicContact CZ-CB 3.54Å; F58-A71 PolarHBondContact N-O 2.82Å; F58-A71 PolarHBondContact O-N 2.75Å; F58-A71 VanDerWaalsContact O-O 3.12Å; I60-A71 HydrophobicContact CG2-CB 3.87Å; A71-M134 CarbonylContact C-O 3.59Å; A71-M134 VanDerWaalsContact CA-O 3.23Å; A71-M134 WeakPolarHBondContact CA-O 3.32Å; A71-I135 HydrophobicContact CB-CG1 3.9Å
72	V	98.5	Very high	97.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.6	174.5	60.9	0	0	0	0	109.6	L44 V55 H56 T57 V74 L110 V133 M134	L44-V72 HydrophobicContact CD1-CB 4.46Å; L44-V72 HydrophobicContact CD2-CB 4Å; L44-V72 HydrophobicContact CD2-CG1 3.85Å; L44-V72 HydrophobicContact CD2-CG2 4.45Å; V55-V72 HydrophobicContact CG1-CG2 3.52Å; H56-V72 CarbonylContact O-C 3.46Å; H56-V72 WeakPolarHBondContact O-CA 3.19Å; T57-V72 HydrophobicContact CG2-CB 4.42Å; T57-V72 HydrophobicContact CG2-CG2 4.07Å; V72-V74 HydrophobicContact CG2-CG2 4.2Å; V72-L110 HydrophobicContact CG1-CD2 4.34Å; V72-L110 HydrophobicContact CG2-CD1 4.22Å; V72-L110 HydrophobicContact CG2-CD2 4.09Å; V72-V133 CarbonylContact O-C 3.03Å; V72-V133 WeakPolarHBondContact O-CA 3.41Å; V72-M134 HydrophobicContact CG1-CB 3.86Å; V72-M134 HydrophobicContact CG1-CE 3.84Å; V72-M134 PolarHBondContact N-O 3.36Å; V72-M134 PolarHBondContact O-N 2.98Å
73	A	98.5	Very high	97.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.3	171.4	0	0	0	0	0	110	V55 H56 F58 P79 L132 V133	V55-A73 WeakPolarHBondContact CA-O 3.42Å; H56-A73 HydrophobicContact CB-CB 4.49Å; H56-A73 PolarHBondContact N-O 2.97Å; H56-A73 PolarHBondContact O-N 3Å; F58-A73 HydrophobicContact CE1-CB 4.13Å; A73-P79 VanDerWaalsContact CB-O 3.26Å; A73-P79 WeakPolarHBondContact CB-O 3.48Å; A73-L132 CarbonylContact C-O 3.36Å; A73-L132 WeakPolarHBondContact CA-O 3.24Å; A73-V133 HydrophobicContact CB-CG2 4.27Å
74	V	98.4	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.5	-177.9	-172.2	0	0	0	0	109.3	K54 V72 L110 L113 M127 L132 M134	K54-V74 VanDerWaalsContact O-CA 3.29Å; K54-V74 WeakPolarHBondContact O-CA 3.47Å; V72-V74 HydrophobicContact CG2-CG2 4.2Å; V74-L110 HydrophobicContact CG2-CD1 3.32Å; V74-L113 HydrophobicContact CG1-CD1 4.5Å; V74-M127 HydrophobicContact CG1-CE 3.84Å; V74-M127 HydrophobicContact CG1-SD 4.46Å; V74-L132 PolarHBondContact N-O 2.89Å; V74-L132 PolarHBondContact O-N 3Å; V74-M134 HydrophobicContact CG2-CE 3.89Å
75	A	98.4	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.			trans	-154.9	164.8	175.6	0	0	0	0	0	109.6	K54 S77 R131	K54-A75 WeakPolarHBondContact CA-O 3.5Å; K54-A75 WeakPolarHBondContact CB-O 3.27Å; K54-A75 PolarHBondContact O-N 3.21Å; A75-S77 WeakPolarHBondContact CB-O 3.35Å; A75-S77 PolarHBondContact O-N 3.43Å; A75-R131 HydrophobicContact CB-CG 4.49Å
76	A	97.8	Very high	96.8	Very high	16 Å²	16	35.1 Å²	35.1	13%	0.132	20%	0.195	C	C	.	.	S	Bend	trans	-67.4	-22.6	174.8	0	0	0	0	0	113.8	Y117 M127 D128	A76-Y117 HydrophobicContact CB-CE2 3.85Å; A76-Y117 WeakPolarHBondContact CB-OH 3.39Å; A76-M127 HydrophobicContact CB-CB 4.41Å; A76-M127 WeakPolarHBondContact CB-O 3.31Å; A76-M127 PolarHBondContact N-O 3.07Å; A76-D128 WeakPolarHBondContact CB-OD1 3.32Å
77	S	97.3	Very high	96.7	Very high	44 Å²	44	33.5 Å²	33.5	31%	0.308	18%	0.178	S	C	.	.	S	Bend	trans	-155.3	152.7	179.8	46.8	0	0	0	0	110.4	A75 R86	A75-S77 WeakPolarHBondContact CB-O 3.35Å; A75-S77 PolarHBondContact O-N 3.43Å; S77-R86 PolarHBondContact O-NH1 3.11Å; S77-R86 PolarHBondContact OG-NH1 2.78Å; S77-R86 VanDerWaalsContact OG-NH1 3.09Å; S77-R86 PolarHBondContact OG-NH2 3.17Å
78	D	97.6	Very high	96.6	Very high	71 Å²	71	31.4 Å²	31.4	38%	0.38	17%	0.167	S	C	.	.			trans	47.1	50.7	173.6	-55.9	-59.8	0	0	0	114.3	H80 L81 L83	D78-H80 PolarHBondContact O-N 3.12Å; D78-H80 IonicContact OD1-CE1 3.82Å; D78-L81 HydrophobicContact CB-CB 4.34Å; D78-L81 HydrophobicContact CB-CD1 4.38Å; D78-L81 PolarHBondContact O-N 3.49Å; D78-L83 HydrophobicContact CB-CD1 3.97Å
79	P	97.8	Very high	96.5	Very high	2 Å²	2	29 Å²	29	1%	0.013	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.6	-175.7	28.2	-39.1	0	0	0	113.2	D53 K54 H56 A73 L81 R131	D53-P79 VanDerWaalsContact O-CD 3.28Å; D53-P79 WeakPolarHBondContact O-CD 3.24Å; K54-P79 WeakPolarHBondContact O-CB 3.42Å; H56-P79 HydrophobicContact CB-CB 3.91Å; H56-P79 HydrophobicContact CB-CG 3.97Å; A73-P79 VanDerWaalsContact CB-O 3.26Å; A73-P79 WeakPolarHBondContact CB-O 3.48Å; P79-L81 VanDerWaalsContact C-N 3.35Å; P79-R131 PolarHBondContact O-NE 3.05Å; P79-R131 PolarHBondContact O-NH2 2.97Å
80	H	96.7	Very high	96.4	Very high	99 Å²	99	29 Å²	29	46%	0.458	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16	177.6	68.2	-76	0	0	0	113.6	H56 D78	H56-H80 HydrophobicContact CB-CB 4.02Å; D78-H80 PolarHBondContact O-N 3.12Å; D78-H80 IonicContact OD1-CE1 3.82Å
81	L	94.4	Very high	96.4	Very high	78 Å²	78	28.8 Å²	28.8	41%	0.408	15%	0.152	S	C	.	.	S	Bend	trans	-108.9	146.4	-178.7	-58.8	177.8	0	0	0	111.5	D78 P79 L83 R131	D78-L81 HydrophobicContact CB-CB 4.34Å; D78-L81 HydrophobicContact CB-CD1 4.38Å; D78-L81 PolarHBondContact O-N 3.49Å; P79-L81 VanDerWaalsContact C-N 3.35Å; L81-L83 HydrophobicContact CB-CD2 4.38Å; L81-R131 VanDerWaalsContact O-CD 3.3Å; L81-R131 WeakPolarHBondContact O-CD 3.41Å; L81-R131 PolarHBondContact O-NE 3.43Å
82	H	92.7	Very high	96.3	Very high	48 Å²	48	29.4 Å²	29.4	22%	0.222	16%	0.156	C	C	.	.			trans	-83.6	123.5	157.6	166	63.7	0	0	0	108.6	N88 E339	H82-N88 PolarHBondContact ND1-ND2 3.47Å; H82-E339 IonicContact CE1-OE1 3.92Å; H82-E339 PolarHBondContact CE1-OE1 2.94Å; H82-E339 VanDerWaalsContact CE1-OE1 3.27Å; H82-E339 IonicContact CE1-OE2 2.88Å; H82-E339 PolarHBondContact CE1-OE2 3.49Å; H82-E339 IonicContact NE2-OE1 3.59Å; H82-E339 PolarHBondContact NE2-OE1 3.06Å; H82-E339 IonicContact NE2-OE2 3.34Å; H82-E339 PolarHBondContact NE2-OE2 3.39Å
83	L	94.5	Very high	96.2	Very high	50 Å²	50	29.9 Å²	29.9	26%	0.262	16%	0.16	S	C	.	.			trans	-106.3	130.6	177.2	-66.3	177.1	0	0	0	110.1	D78 L81 L85 R86	D78-L83 HydrophobicContact CB-CD1 3.97Å; L81-L83 HydrophobicContact CB-CD2 4.38Å; L83-L85 PolarHBondContact O-N 3.25Å; L83-R86 HydrophobicContact CB-CB 4.19Å; L83-R86 WeakPolarHBondContact O-CB 3.44Å; L83-R86 PolarHBondContact O-N 2.87Å
84	T	92.7	Very high	96.1	Very high	68 Å²	68	30.3 Å²	30.3	42%	0.417	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	135.1	-177.1	-54.9	0	0	0	0	111.5	R86 V309 E339	T84-R86 PolarHBondContact O-N 2.88Å; T84-V309 HydrophobicContact CG2-CG2 3.64Å; T84-E339 VanDerWaalsContact CA-OE1 3.27Å; T84-E339 WeakPolarHBondContact CA-OE1 3.26Å; T84-E339 HydrophobicContact CG2-CB 4.23Å; T84-E339 HydrophobicContact CG2-CG 4.25Å
85	L	94.3	Very high	96	Very high	69 Å²	69	31.5 Å²	31.5	36%	0.361	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	9.2	-173	-55	175.8	0	0	0	115.7	L83 P87 K307 V309 E339 Y341	L83-L85 PolarHBondContact O-N 3.25Å; L85-P87 WeakPolarHBondContact O-CD 3.28Å; L85-K307 HydrophobicContact CB-CD 4.42Å; L85-K307 HydrophobicContact CD2-CB 4.36Å; L85-K307 HydrophobicContact CD2-CD 4.38Å; L85-K307 HydrophobicContact CD2-CG 4.26Å; L85-K307 PolarHBondContact O-NZ 3.4Å; L85-V309 HydrophobicContact CD1-CG2 4.48Å; L85-V309 HydrophobicContact CD2-CG2 4.09Å; L85-V309 HydrophobicContact CG-CG2 4.26Å; L85-E339 HydrophobicContact CD2-CG 4.31Å; L85-E339 PolarHBondContact N-OE1 3.38Å; L85-Y341 WeakPolarHBondContact CA-OH 3.28Å; L85-Y341 PolarHBondContact N-OH 3.35Å
86	R	95.6	Very high	96	Very high	46 Å²	46	32 Å²	32	17%	0.174	17%	0.171	C	C	.	.			trans	-96.6	103.6	166.1	-167.2	179.8	-60.6	-171.6	-0.4	109.3	S77 L83 T84 N88 Y341	S77-R86 PolarHBondContact O-NH1 3.11Å; S77-R86 PolarHBondContact OG-NH1 2.78Å; S77-R86 VanDerWaalsContact OG-NH1 3.09Å; S77-R86 PolarHBondContact OG-NH2 3.17Å; L83-R86 HydrophobicContact CB-CB 4.19Å; L83-R86 WeakPolarHBondContact O-CB 3.44Å; L83-R86 PolarHBondContact O-N 2.87Å; T84-R86 PolarHBondContact O-N 2.88Å; R86-N88 PolarHBondContact O-N 3.38Å; R86-Y341 PolarHBondContact N-OH 3.44Å; R86-Y341 VanDerWaalsContact N-OH 3.08Å; R86-Y341 PolarHBondContact O-OH 2.95Å
87	P	95	Very high	96	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.013	17%	0.165	C	C	.	.			trans	-57.5	136	-177	-21.1	30.6	0	0	0	112	L85 S129 T130 R131 V197 Y341	L85-P87 WeakPolarHBondContact O-CD 3.28Å; P87-S129 WeakPolarHBondContact CD-O 3.39Å; P87-T130 HydrophobicContact CB-CG2 4.47Å; P87-T130 HydrophobicContact CG-CG2 4.4Å; P87-T130 WeakPolarHBondContact O-CA 3.34Å; P87-R131 PolarHBondContact O-N 2.75Å; P87-V197 HydrophobicContact CB-CB 4.34Å; P87-V197 HydrophobicContact CB-CG2 3.97Å; P87-Y341 HydrophobicContact CB-CD1 4.31Å; P87-Y341 HydrophobicContact CB-CE1 4.01Å; P87-Y341 HydrophobicContact CG-CD1 4.09Å; P87-Y341 HydrophobicContact CG-CE1 3.65Å
88	N	95.2	Very high	96	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.9	164.4	-64.3	-78.4	0	0	0	109.9	H82 R86 R131 V194 P195 I196 V197	H82-N88 PolarHBondContact ND1-ND2 3.47Å; R86-N88 PolarHBondContact O-N 3.38Å; N88-R131 CarbonylContact C-O 3.54Å; N88-R131 VanDerWaalsContact CA-O 3.29Å; N88-R131 WeakPolarHBondContact CA-O 3.44Å; N88-R131 WeakPolarHBondContact OD1-CD 3.27Å; N88-R131 PolarHBondContact OD1-NH1 3.31Å; N88-V194 HydrophobicContact CB-CG1 4.15Å; N88-P195 PolarHBondContact ND2-O 3.09Å; N88-I196 HydrophobicContact CB-CD1 3.97Å; N88-V197 PolarHBondContact O-N 2.83Å
89	V	96.2	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.3	172.7	-179.2	0	0	0	0	107.9	F91 R131 L132 V133 L198 A302	V89-F91 HydrophobicContact CG1-CD1 4.28Å; V89-F91 HydrophobicContact CG1-CE1 3.65Å; V89-F91 HydrophobicContact CG1-CZ 4.03Å; V89-R131 PolarHBondContact N-O 3.31Å; V89-L132 HydrophobicContact CB-CD1 4.02Å; V89-L132 HydrophobicContact CG1-CD1 3.9Å; V89-V133 PolarHBondContact O-N 3.28Å; V89-L198 HydrophobicContact CG1-CB 4.49Å; V89-L198 HydrophobicContact CG1-CD2 4.34Å; V89-A302 HydrophobicContact CG2-CB 3.31Å
90	L	96.6	Very high	95.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.4	-178.2	178.3	54.9	0	0	0	110.7	T92 V133 I135 F187 W190 I196 L198	L90-T92 HydrophobicContact CD1-CG2 3.84Å; L90-T92 HydrophobicContact CD2-CG2 4.08Å; L90-T92 HydrophobicContact CG-CG2 3.84Å; L90-V133 CarbonylContact C-O 3.58Å; L90-V133 WeakPolarHBondContact CA-O 3.43Å; L90-V133 HydrophobicContact CD1-CB 4.17Å; L90-V133 HydrophobicContact CD1-CG1 4.19Å; L90-I135 HydrophobicContact CD1-CD1 4.41Å; L90-I135 HydrophobicContact CD1-CG1 4.25Å; L90-F187 HydrophobicContact CD2-CE2 3.9Å; L90-F187 HydrophobicContact CD2-CZ 3.81Å; L90-W190 HydrophobicContact CD1-CH2 3.75Å; L90-W190 HydrophobicContact CD1-CZ3 4.06Å; L90-W190 HydrophobicContact CD2-CH2 4.07Å; L90-W190 HydrophobicContact CD2-CZ3 3.82Å; L90-I196 HydrophobicContact CB-CD1 4.04Å; L90-I196 HydrophobicContact CB-CG1 4.42Å; L90-I196 HydrophobicContact CB-CG2 3.87Å; L90-I196 HydrophobicContact CD2-CD1 4.33Å; L90-I196 HydrophobicContact CD2-CG1 4.21Å; L90-L198 PolarHBondContact N-O 3.02Å
91	F	97	Very high	95.9	Very high	9 Å²	9	23.7 Å²	23.7	4%	0.039	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.5	164.4	-58.1	-25.1	0	0	0	110.4	V89 L106 L109 L132 V133 M134 I135 F200 I295 F298 W299	V89-F91 HydrophobicContact CG1-CD1 4.28Å; V89-F91 HydrophobicContact CG1-CE1 3.65Å; V89-F91 HydrophobicContact CG1-CZ 4.03Å; F91-L106 HydrophobicContact CB-CD1 4.11Å; F91-L106 HydrophobicContact CB-CD2 3.69Å; F91-L106 HydrophobicContact CD2-CD2 3.95Å; F91-L106 HydrophobicContact CG-CD2 4.26Å; F91-L109 HydrophobicContact CD2-CD2 4.05Å; F91-L109 HydrophobicContact CE2-CD2 4.09Å; F91-L132 HydrophobicContact CD1-CD1 4.4Å; F91-L132 HydrophobicContact CD2-CD1 3.63Å; F91-L132 HydrophobicContact CD2-CD2 4.22Å; F91-L132 HydrophobicContact CD2-CG 4.49Å; F91-L132 HydrophobicContact CE1-CD1 4.39Å; F91-L132 HydrophobicContact CE2-CD1 3.65Å; F91-L132 HydrophobicContact CE2-CD2 4.1Å; F91-L132 HydrophobicContact CG-CD1 4.01Å; F91-L132 HydrophobicContact CZ-CD1 4.05Å; F91-V133 PolarHBondContact N-O 3.29Å; F91-M134 HydrophobicContact CB-CG 4.26Å; F91-M134 HydrophobicContact CD2-CG 4.49Å; F91-M134 CarbonylContact O-C 3.3Å; F91-M134 WeakPolarHBondContact O-CA 3.26Å; F91-I135 PolarHBondContact O-N 3.09Å; F91-F200 HydrophobicContact CB-CZ 4.33Å; F91-F200 HydrophobicContact CD1-CE1 4.4Å; F91-F200 AromaticContact CD1-CZ 3.98Å; F91-F200 HydrophobicContact CD1-CZ 3.98Å; F91-F200 HydrophobicContact CG-CZ 4.47Å; F91-I295 HydrophobicContact CD2-CG2 4.42Å; F91-I295 HydrophobicContact CE2-CG2 3.59Å; F91-I295 HydrophobicContact CZ-CG2 4.09Å; F91-F298 AromaticContact CE1-CD1 3.85Å; F91-F298 HydrophobicContact CE1-CD1 3.85Å; F91-F298 AromaticContact CE1-CE1 3.76Å; F91-F298 HydrophobicContact CE1-CE1 3.76Å; F91-F298 HydrophobicContact CZ-CD1 4.17Å; F91-W299 HydrophobicContact CZ-CB 4.12Å; F91-W299 HydrophobicContact CZ-CG 4.48Å
92	T	96.4	Very high	96	Very high	14 Å²	14	20.9 Å²	20.9	9%	0.086	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.3	171.3	61.9	0	0	0	0	111.3	L90 I135 M138 F187 F200	L90-T92 HydrophobicContact CD1-CG2 3.84Å; L90-T92 HydrophobicContact CD2-CG2 4.08Å; L90-T92 HydrophobicContact CG-CG2 3.84Å; T92-I135 CarbonylContact C-O 3.59Å; T92-I135 WeakPolarHBondContact CA-O 3.26Å; T92-I135 HydrophobicContact CG2-CB 4.07Å; T92-I135 HydrophobicContact CG2-CD1 4.2Å; T92-I135 HydrophobicContact CG2-CG1 4.29Å; T92-M138 WeakPolarHBondContact CB-SD 3.2Å; T92-M138 HydrophobicContact CG2-CG 4.45Å; T92-M138 HydrophobicContact CG2-SD 3.88Å; T92-F187 HydrophobicContact CG2-CE2 3.88Å; T92-F200 WeakPolarHBondContact O-CE2 3.26Å
93	A	97.2	Very high	96.2	Very high	11 Å²	11	18.6 Å²	18.6	9%	0.091	10%	0.102	C	C	.	.			trans	-131.4	165.5	174.1	0	0	0	0	0	111.7	I95 L106 I135 P136 M138	A93-I95 VanDerWaalsContact C-N 3.29Å; A93-I95 PolarHBondContact O-N 3.49Å; A93-L106 HydrophobicContact CB-CD1 3.74Å; A93-L106 HydrophobicContact CB-CG 4.44Å; A93-I135 PolarHBondContact N-O 3.13Å; A93-P136 WeakPolarHBondContact CB-O 3.44Å; A93-M138 PolarHBondContact O-N 3.49Å
94	N	97.1	Very high	96.2	Very high	9 Å²	9	16.2 Å²	16.2	5%	0.048	9%	0.089	C	C	.	.			trans	58.6	43.5	167.6	-174.3	-122.4	0	0	0	111.9	H96 G97 E99 R103 S137 N139	N94-H96 VanDerWaalsContact C-N 3.32Å; N94-H96 CarbonylContact C-O 3.38Å; N94-H96 WeakPolarHBondContact CA-O 3.17Å; N94-H96 PolarHBondContact ND2-O 2.66Å; N94-G97 VanDerWaalsContact ND2-CA 3.33Å; N94-G97 WeakPolarHBondContact ND2-CA 3.45Å; N94-G97 PolarHBondContact ND2-O 3.33Å; N94-E99 PolarHBondContact ND2-O 3.27Å; N94-R103 HydrophobicContact CB-CB 3.83Å; N94-R103 WeakPolarHBondContact OD1-CD 3.39Å; N94-S137 PolarHBondContact OD1-OG 3.23Å; N94-N139 VanDerWaalsContact O-CB 3.3Å; N94-N139 WeakPolarHBondContact O-CB 3.49Å; N94-N139 PolarHBondContact O-N 3.13Å
95	I	96.6	Very high	96.4	Very high	24 Å²	24	13.1 Å²	13.1	12%	0.123	7%	0.07	C	C	.	.	S	Bend	trans	-67.3	-36.7	166.5	-169.6	167.7	0	0	0	110.8	A93 M138 N139 L165 N166 Y169 L256	A93-I95 VanDerWaalsContact C-N 3.29Å; A93-I95 PolarHBondContact O-N 3.49Å; I95-M138 HydrophobicContact CB-CB 4.21Å; I95-M138 HydrophobicContact CB-SD 4.13Å; I95-M138 HydrophobicContact CD1-CE 4.4Å; I95-M138 HydrophobicContact CD1-SD 4.21Å; I95-M138 HydrophobicContact CG1-CB 4.48Å; I95-M138 HydrophobicContact CG1-SD 4.32Å; I95-N139 VanDerWaalsContact O-CB 3.25Å; I95-N139 WeakPolarHBondContact O-CB 3.47Å; I95-N139 PolarHBondContact O-ND2 3.2Å; I95-L165 HydrophobicContact CD1-CB 4.34Å; I95-L165 HydrophobicContact CG1-CB 3.8Å; I95-N166 HydrophobicContact CD1-CB 3.85Å; I95-N166 HydrophobicContact CG1-CB 4.35Å; I95-Y169 HydrophobicContact CD1-CE2 4.1Å; I95-L256 HydrophobicContact CD1-CB 4.26Å; I95-L256 HydrophobicContact CD1-CD2 4.42Å
96	H	97.5	Very high	96.5	Very high	12 Å²	12	10.3 Å²	10.3	6%	0.056	6%	0.056	C	C	.	.	S	Bend	trans	-88.5	120.6	154.9	-54	136.3	0	0	0	108.5	N94 N98 E99 R157 D164	N94-H96 VanDerWaalsContact C-N 3.32Å; N94-H96 CarbonylContact C-O 3.38Å; N94-H96 WeakPolarHBondContact CA-O 3.17Å; N94-H96 PolarHBondContact ND2-O 2.66Å; H96-N98 PolarHBondContact O-N 3.44Å; H96-E99 HydrophobicContact CB-CB 4.33Å; H96-E99 VanDerWaalsContact CB-CD 3.49Å; H96-E99 HydrophobicContact CB-CG 4.09Å; H96-E99 WeakPolarHBondContact CB-OE2 3.45Å; H96-E99 IonicContact CE1-OE1 3.49Å; H96-E99 IonicContact CE1-OE2 3.27Å; H96-E99 IonicContact CG-OE1 2.69Å; H96-E99 IonicContact CG-OE2 2.79Å; H96-E99 IonicContact ND1-OE1 3.91Å; H96-E99 PolarHBondContact ND1-OE1 3.37Å; H96-E99 IonicContact ND1-OE2 3.89Å; H96-E99 PolarHBondContact ND1-OE2 2.52Å; H96-E99 PolarHBondContact O-N 3.28Å; H96-E99 VanDerWaalsContact O-N 3.15Å; H96-R157 VanDerWaalsContact CA-O 3.27Å; H96-R157 WeakPolarHBondContact CA-O 3.5Å; H96-R157 HydrophobicContact CB-CG 3.9Å; H96-R157 PolarHBondContact CE1-NH1 2.97Å; H96-R157 VanDerWaalsContact CE1-NH1 3.33Å; H96-R157 PolarHBondContact CE1-NH2 2.68Å; H96-R157 PolarHBondContact ND1-NH1 2.9Å; H96-R157 PolarHBondContact NE2-NH2 2.81Å; H96-D164 IonicContact CD2-OD1 2.71Å; H96-D164 IonicContact NE2-OD1 3.97Å; H96-D164 PolarHBondContact NE2-OD1 3.41Å; H96-D164 IonicContact NE2-OD2 3.69Å
97	G	97.9	Very high	96.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.3	-171.2	0	0	0	0	0	114.2	N94 N139 F143 G156 R157	N94-G97 VanDerWaalsContact ND2-CA 3.33Å; N94-G97 WeakPolarHBondContact ND2-CA 3.45Å; N94-G97 PolarHBondContact ND2-O 3.33Å; G97-N139 PolarHBondContact N-ND2 3.44Å; G97-F143 VanDerWaalsContact O-CA 3.23Å; G97-F143 WeakPolarHBondContact O-CA 2.9Å; G97-G156 CarbonylContact C-O 3.14Å; G97-G156 VanDerWaalsContact C-O 3.3Å; G97-G156 WeakPolarHBondContact CA-O 3.35Å; G97-G156 PolarHBondContact N-O 3.08Å; G97-R157 PolarHBondContact N-O 2.8Å
98	N	97.7	Very high	96.4	Very high	4 Å²	4	9 Å²	9	2%	0.021	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2	177.4	68.3	-22.4	0	0	0	114.8	H96 A146 T153 R155 G156 R157 K277	H96-N98 PolarHBondContact O-N 3.44Å; N98-A146 HydrophobicContact CB-CB 3.7Å; N98-T153 PolarHBondContact ND2-O 2.88Å; N98-R155 WeakPolarHBondContact CB-O 3.22Å; N98-G156 PolarHBondContact N-O 2.58Å; N98-R157 VanDerWaalsContact OD1-CA 3.24Å; N98-R157 WeakPolarHBondContact OD1-CA 3.34Å; N98-K277 WeakPolarHBondContact ND2-CD 3.26Å; N98-K277 CarbonylContact O-C 3.53Å; N98-K277 WeakPolarHBondContact O-CB 3.35Å
99	E	97.1	Very high	96.5	Very high	51 Å²	51	9 Å²	9	24%	0.238	5%	0.051	C	C	.	.			trans	-98.9	89.1	175.1	-69.7	162.8	-159.1	0	0	108.5	N94 H96 R157 K277	N94-E99 PolarHBondContact ND2-O 3.27Å; H96-E99 HydrophobicContact CB-CB 4.33Å; H96-E99 VanDerWaalsContact CB-CD 3.49Å; H96-E99 HydrophobicContact CB-CG 4.09Å; H96-E99 WeakPolarHBondContact CB-OE2 3.45Å; H96-E99 IonicContact CE1-OE1 3.49Å; H96-E99 IonicContact CE1-OE2 3.27Å; H96-E99 IonicContact CG-OE1 2.69Å; H96-E99 IonicContact CG-OE2 2.79Å; H96-E99 IonicContact ND1-OE1 3.91Å; H96-E99 PolarHBondContact ND1-OE1 3.37Å; H96-E99 IonicContact ND1-OE2 3.89Å; H96-E99 PolarHBondContact ND1-OE2 2.52Å; H96-E99 PolarHBondContact O-N 3.28Å; H96-E99 VanDerWaalsContact O-N 3.15Å; E99-R157 IonicContact OE1-NH1 3.37Å; E99-R157 PolarHBondContact OE1-NH1 2.94Å; E99-K277 WeakPolarHBondContact CA-O 3.33Å; E99-K277 HydrophobicContact CG-CB 4.34Å; E99-K277 HydrophobicContact CG-CG 4.34Å
100	V	96.8	Very high	96.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.			trans	-97.1	-21.7	-159.1	-172.8	0	0	0	0	113.6	Y34 G102 R103 E104 F143 K277 Y278	Y34-V100 HydrophobicContact CD1-CG1 3.53Å; Y34-V100 HydrophobicContact CE1-CB 4.44Å; Y34-V100 HydrophobicContact CE1-CG1 3.77Å; Y34-V100 HydrophobicContact CG-CG1 4.17Å; V100-G102 PolarHBondContact O-N 3Å; V100-R103 WeakPolarHBondContact O-CB 3.23Å; V100-R103 PolarHBondContact O-N 3.44Å; V100-R103 VanDerWaalsContact O-N 3.13Å; V100-E104 PolarHBondContact O-N 3.26Å; V100-F143 HydrophobicContact CG1-CD2 4.06Å; V100-F143 HydrophobicContact CG1-CE2 3.61Å; V100-F143 HydrophobicContact CG2-CD2 4Å; V100-F143 HydrophobicContact CG2-CE2 4.15Å; V100-K277 PolarHBondContact N-O 3.18Å; V100-K277 VanDerWaalsContact N-O 3.14Å; V100-Y278 HydrophobicContact CB-CD2 4.03Å; V100-Y278 HydrophobicContact CB-CE2 4.15Å; V100-Y278 HydrophobicContact CB-CG 4.31Å; V100-Y278 HydrophobicContact CG1-CD2 4.46Å; V100-Y278 HydrophobicContact CG1-CE2 4.07Å; V100-Y278 HydrophobicContact CG2-CD1 3.58Å; V100-Y278 HydrophobicContact CG2-CD2 3.77Å; V100-Y278 HydrophobicContact CG2-CE1 3.74Å; V100-Y278 HydrophobicContact CG2-CE2 3.94Å; V100-Y278 HydrophobicContact CG2-CG 3.59Å
101	V	95.7	Very high	96.5	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	6%	0.057	C	C	.	.	H	α-helix	trans	-58.8	-45.5	-173	179.5	0	0	0	0	111.8	R103 E104 I105 I273 S274 P279 F284 F287	V101-R103 VanDerWaalsContact C-N 3.32Å; V101-R103 PolarHBondContact O-N 3.34Å; V101-E104 PolarHBondContact O-N 3.32Å; V101-I105 HydrophobicContact CG1-CD1 3.83Å; V101-I105 HydrophobicContact CG1-CG1 4.36Å; V101-I105 WeakPolarHBondContact O-CG1 3.32Å; V101-I105 PolarHBondContact O-N 3.45Å; V101-I273 HydrophobicContact CB-CD1 4.25Å; V101-I273 HydrophobicContact CB-CG1 4.5Å; V101-I273 HydrophobicContact CG1-CD1 3.78Å; V101-I273 HydrophobicContact CG1-CG1 4.24Å; V101-S274 WeakPolarHBondContact CG2-OG 2.86Å; V101-P279 HydrophobicContact CG2-CG 3.64Å; V101-F284 HydrophobicContact CG1-CE2 4.38Å; V101-F287 HydrophobicContact CG1-CB 3.66Å; V101-F287 HydrophobicContact CG1-CD1 4.29Å; V101-F287 HydrophobicContact CG1-CD2 4.18Å; V101-F287 HydrophobicContact CG1-CG 3.8Å; V101-F287 HydrophobicContact CG2-CD2 4.36Å; V101-F287 HydrophobicContact CG2-CE2 4.47Å
102	G	96.2	Very high	96.5	Very high	19 Å²	19	12 Å²	12	20%	0.196	7%	0.067	C	C	.	.	H	α-helix	trans	-61.4	-38.4	178.7	0	0	0	0	0	113	V100 E104 I105 L106	V100-G102 PolarHBondContact O-N 3Å; G102-E104 PolarHBondContact O-N 2.83Å; G102-I105 PolarHBondContact O-N 2.8Å; G102-L106 WeakPolarHBondContact O-CG 3.43Å; G102-L106 PolarHBondContact O-N 3.2Å; G102-L106 VanDerWaalsContact O-N 3.1Å
103	R	96.6	Very high	96.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.2	-49.4	176.8	170.4	173.4	-178.8	-84.7	5.5	110.9	R35 T36 N37 L40 N94 V100 V101 L106 L107 P136 F143	R35-R103 VanDerWaalsContact O-CZ 3.23Å; R35-R103 PolarHBondContact O-NH1 2.89Å; R35-R103 PolarHBondContact O-NH2 2.97Å; T36-R103 PolarHBondContact O-NH2 2.86Å; N37-R103 PolarHBondContact OD1-NH2 2.71Å; L40-R103 HydrophobicContact CD1-CG 4.03Å; N94-R103 HydrophobicContact CB-CB 3.83Å; N94-R103 WeakPolarHBondContact OD1-CD 3.39Å; V100-R103 WeakPolarHBondContact O-CB 3.23Å; V100-R103 PolarHBondContact O-N 3.44Å; V100-R103 VanDerWaalsContact O-N 3.13Å; V101-R103 VanDerWaalsContact C-N 3.32Å; V101-R103 PolarHBondContact O-N 3.34Å; R103-L106 PolarHBondContact O-N 3.23Å; R103-L107 WeakPolarHBondContact O-CG 3.14Å; R103-P136 VanDerWaalsContact CA-O 3.3Å; R103-P136 WeakPolarHBondContact CA-O 3.38Å; R103-P136 WeakPolarHBondContact CB-O 2.88Å; R103-P136 HydrophobicContact CG-CB 4.48Å; R103-P136 VanDerWaalsContact CG-O 3.28Å; R103-P136 WeakPolarHBondContact CG-O 3Å; R103-F143 VanDerWaalsContact NH1-CE2 3.27Å; R103-F143 VanDerWaalsContact NH2-CE1 3.32Å
104	E	95.2	Very high	96.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-72.6	-34	-177.6	-164.9	62.2	-135.3	0	0	112.3	Y34 R35 V100 V101 G102 L106 L107 H108 Y281 F284	Y34-E104 HydrophobicContact CD1-CB 4.04Å; Y34-E104 HydrophobicContact CD1-CG 4.05Å; Y34-E104 HydrophobicContact CE1-CB 4.06Å; Y34-E104 HydrophobicContact CE1-CG 4.23Å; R35-E104 IonicContact CZ-OE1 3.24Å; R35-E104 PolarHBondContact N-OE2 2.97Å; R35-E104 IonicContact NH1-OE1 2.66Å; R35-E104 PolarHBondContact NH1-OE1 3.15Å; V100-E104 PolarHBondContact O-N 3.26Å; V101-E104 PolarHBondContact O-N 3.32Å; G102-E104 PolarHBondContact O-N 2.83Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.21Å; E104-L107 PolarHBondContact O-N 2.96Å; E104-H108 PolarHBondContact O-N 2.77Å; E104-H108 VanDerWaalsContact O-N 3.1Å; E104-H108 PolarHBondContact O-ND1 2.91Å; E104-H108 IonicContact OE1-CE1 3.93Å; E104-H108 PolarHBondContact OE1-CE1 3.18Å; E104-H108 IonicContact OE1-ND1 3.99Å; E104-Y281 HydrophobicContact CG-CE2 3.98Å; E104-F284 HydrophobicContact CB-CD2 4.17Å; E104-F284 HydrophobicContact CB-CE2 3.55Å; E104-F284 HydrophobicContact CB-CZ 3.88Å; E104-F284 HydrophobicContact CG-CD1 4.42Å; E104-F284 HydrophobicContact CG-CD2 4.07Å; E104-F284 HydrophobicContact CG-CE1 4.07Å; E104-F284 HydrophobicContact CG-CE2 3.67Å; E104-F284 HydrophobicContact CG-CG 4.43Å; E104-F284 HydrophobicContact CG-CZ 3.66Å
105	I	95.8	Very high	96.4	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-58.7	-43.3	172.1	-76.8	173.7	0	0	0	111.5	V101 G102 L107 H108 L109 I273 F284 W288 N291 I295	V101-I105 HydrophobicContact CG1-CD1 3.83Å; V101-I105 HydrophobicContact CG1-CG1 4.36Å; V101-I105 WeakPolarHBondContact O-CG1 3.32Å; V101-I105 PolarHBondContact O-N 3.45Å; G102-I105 PolarHBondContact O-N 2.8Å; I105-L107 VanDerWaalsContact C-N 3.27Å; I105-L107 PolarHBondContact O-N 2.88Å; I105-H108 PolarHBondContact O-N 2.92Å; I105-L109 VanDerWaalsContact O-CB 3.26Å; I105-L109 WeakPolarHBondContact O-CB 3.32Å; I105-L109 PolarHBondContact O-N 3.49Å; I105-I273 HydrophobicContact CD1-CD1 3.48Å; I105-I273 VanDerWaalsContact CD1-CD1 3.48Å; I105-F284 HydrophobicContact CG1-CE2 3.87Å; I105-F284 HydrophobicContact CG1-CZ 3.85Å; I105-W288 HydrophobicContact CG1-CE3 4.46Å; I105-W288 HydrophobicContact CG2-CE3 4.29Å; I105-W288 HydrophobicContact CG2-CZ3 4.28Å; I105-N291 HydrophobicContact CD1-CB 4Å; I105-I295 HydrophobicContact CG2-CD1 3.54Å
106	L	96.9	Very high	96.4	Very high	10 Å²	10	15.5 Å²	15.5	5%	0.052	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-30.7	-179.4	-66	-176.9	0	0	0	112.7	F91 A93 G102 R103 E104 L109 L110 M134 P136	F91-L106 HydrophobicContact CB-CD1 4.11Å; F91-L106 HydrophobicContact CB-CD2 3.69Å; F91-L106 HydrophobicContact CD2-CD2 3.95Å; F91-L106 HydrophobicContact CG-CD2 4.26Å; A93-L106 HydrophobicContact CB-CD1 3.74Å; A93-L106 HydrophobicContact CB-CG 4.44Å; G102-L106 WeakPolarHBondContact O-CG 3.43Å; G102-L106 PolarHBondContact O-N 3.2Å; G102-L106 VanDerWaalsContact O-N 3.1Å; R103-L106 PolarHBondContact O-N 3.23Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.21Å; L106-L109 HydrophobicContact CD2-CD2 4.18Å; L106-L110 PolarHBondContact O-N 2.72Å; L106-L110 VanDerWaalsContact O-N 3.07Å; L106-M134 HydrophobicContact CB-SD 4.21Å; L106-M134 HydrophobicContact CD1-CB 4.37Å; L106-M134 HydrophobicContact CD2-CG 4.33Å; L106-M134 HydrophobicContact CD2-SD 3.92Å; L106-P136 HydrophobicContact CB-CB 4.32Å; L106-P136 HydrophobicContact CB-CG 4.26Å
107	L	95.4	Very high	96.4	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-71	-44.5	174.3	-53.7	-178	0	0	0	111.6	R35 L40 F43 L44 R103 E104 I105 L109 L110 S111 P136	R35-L107 HydrophobicContact CB-CD1 4.41Å; L40-L107 HydrophobicContact CB-CD1 4.49Å; L40-L107 HydrophobicContact CD1-CD1 4.08Å; L40-L107 HydrophobicContact CD1-CD2 4.31Å; L40-L107 HydrophobicContact CG-CD1 4.01Å; L40-L107 HydrophobicContact CG-CD2 3.93Å; F43-L107 HydrophobicContact CD1-CB 4.4Å; F43-L107 HydrophobicContact CD1-CD2 3.92Å; F43-L107 HydrophobicContact CE1-CB 3.88Å; F43-L107 HydrophobicContact CE1-CD2 3.91Å; F43-L107 HydrophobicContact CE1-CG 4.42Å; F43-L107 HydrophobicContact CZ-CB 4.46Å; F43-L107 WeakPolarHBondContact CZ-O 3.29Å; L44-L107 HydrophobicContact CD2-CD2 4.21Å; R103-L107 WeakPolarHBondContact O-CG 3.14Å; E104-L107 PolarHBondContact O-N 2.96Å; I105-L107 VanDerWaalsContact C-N 3.27Å; I105-L107 PolarHBondContact O-N 2.88Å; L107-L109 VanDerWaalsContact C-N 3.3Å; L107-L109 PolarHBondContact O-N 2.93Å; L107-L110 PolarHBondContact O-N 2.74Å; L107-S111 PolarHBondContact O-N 3.42Å; L107-P136 HydrophobicContact CD2-CB 3.9Å; L107-P136 HydrophobicContact CD2-CG 3.79Å
108	H	94.5	Very high	96.4	Very high	18 Å²	18	20.5 Å²	20.5	8%	0.083	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-38	174.5	-73.7	74.5	0	0	0	111.7	V30 E104 I105 S111 H112 Y281 F284 W288	V30-H108 WeakPolarHBondContact CG1-CD2 3.33Å; V30-H108 WeakPolarHBondContact CG1-NE2 3.4Å; E104-H108 PolarHBondContact O-N 2.77Å; E104-H108 VanDerWaalsContact O-N 3.1Å; E104-H108 PolarHBondContact O-ND1 2.91Å; E104-H108 IonicContact OE1-CE1 3.93Å; E104-H108 PolarHBondContact OE1-CE1 3.18Å; E104-H108 IonicContact OE1-ND1 3.99Å; I105-H108 PolarHBondContact O-N 2.92Å; H108-S111 PolarHBondContact O-N 3.21Å; H108-H112 VanDerWaalsContact O-CB 3.28Å; H108-H112 WeakPolarHBondContact O-CB 3.29Å; H108-H112 PolarHBondContact O-N 3.35Å; H108-Y281 PolarHBondContact CE1-OH 2.91Å; H108-Y281 PolarHBondContact NE2-OH 2.68Å; H108-F284 AromaticContact CD2-CE1 3.81Å; H108-F284 AromaticContact CE1-CD1 3.94Å; H108-F284 AromaticContact CE1-CE1 3.24Å; H108-F284 WeakPolarHBondContact CE1-CE1 3.27Å; H108-F284 AromaticContact CE1-CZ 3.85Å; H108-F284 AromaticContact CG-CE1 3.81Å; H108-F284 AromaticContact ND1-CE1 3.46Å; H108-F284 WeakPolarHBondContact ND1-CE1 3.44Å; H108-F284 AromaticContact ND1-CZ 3.66Å; H108-F284 AromaticContact NE2-CE1 3.45Å; H108-F284 WeakPolarHBondContact NE2-CE1 3.2Å; H108-W288 HydrophobicContact CB-CD2 4.01Å; H108-W288 HydrophobicContact CB-CE3 3.81Å; H108-W288 HydrophobicContact CB-CH2 4.16Å; H108-W288 HydrophobicContact CB-CZ2 4.37Å; H108-W288 HydrophobicContact CB-CZ3 3.89Å
109	L	96.7	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-48.5	175.8	-177.2	63.3	0	0	0	111	F91 I105 L106 L107 S111 H112 L113 L132 M134 W288 L292 I295	F91-L109 HydrophobicContact CD2-CD2 4.05Å; F91-L109 HydrophobicContact CE2-CD2 4.09Å; I105-L109 VanDerWaalsContact O-CB 3.26Å; I105-L109 WeakPolarHBondContact O-CB 3.32Å; I105-L109 PolarHBondContact O-N 3.49Å; L106-L109 HydrophobicContact CD2-CD2 4.18Å; L107-L109 VanDerWaalsContact C-N 3.3Å; L107-L109 PolarHBondContact O-N 2.93Å; L109-S111 PolarHBondContact O-N 3Å; L109-H112 PolarHBondContact O-N 2.91Å; L109-L113 HydrophobicContact CD1-CD1 4.23Å; L109-L113 HydrophobicContact CD1-CD2 4.2Å; L109-L113 HydrophobicContact CD1-CG 4Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 HydrophobicContact CG-CG 4.15Å; L109-L113 WeakPolarHBondContact O-CB 3.43Å; L109-L113 WeakPolarHBondContact O-CG 3.19Å; L109-L113 PolarHBondContact O-N 3.24Å; L109-L132 HydrophobicContact CD2-CD2 4.33Å; L109-M134 HydrophobicContact CD2-SD 3.9Å; L109-M134 HydrophobicContact CG-SD 4.41Å; L109-W288 HydrophobicContact CB-CH2 4.3Å; L109-W288 HydrophobicContact CB-CZ3 4.14Å; L109-W288 HydrophobicContact CD1-CH2 4.36Å; L109-L292 HydrophobicContact CD1-CD1 4.28Å; L109-I295 HydrophobicContact CD1-CG2 4.37Å; L109-I295 HydrophobicContact CD2-CG2 3.83Å
110	L	97.2	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-53.4	-53.5	176.5	177.5	60.9	0	0	0	111.9	F43 L44 M47 V55 V72 V74 L106 L107 H112 L113 L114 M134	F43-L110 HydrophobicContact CE1-CD2 3.82Å; F43-L110 HydrophobicContact CZ-CD2 4.2Å; L44-L110 HydrophobicContact CD2-CD2 3.53Å; M47-L110 HydrophobicContact CB-CD2 3.9Å; M47-L110 HydrophobicContact CG-CD2 3.78Å; M47-L110 HydrophobicContact CG-CG 4.3Å; V55-L110 HydrophobicContact CG2-CD1 4.22Å; V72-L110 HydrophobicContact CG1-CD2 4.34Å; V72-L110 HydrophobicContact CG2-CD1 4.22Å; V72-L110 HydrophobicContact CG2-CD2 4.09Å; V74-L110 HydrophobicContact CG2-CD1 3.32Å; L106-L110 PolarHBondContact O-N 2.72Å; L106-L110 VanDerWaalsContact O-N 3.07Å; L107-L110 PolarHBondContact O-N 2.74Å; L110-H112 VanDerWaalsContact C-N 3.31Å; L110-H112 PolarHBondContact O-N 3.39Å; L110-L113 PolarHBondContact O-N 3.05Å; L110-L114 HydrophobicContact CD1-CD1 4.02Å; L110-L114 HydrophobicContact CD1-CG 4.41Å; L110-L114 HydrophobicContact CG-CD1 4.17Å; L110-L114 WeakPolarHBondContact O-CG 3.29Å; L110-L114 PolarHBondContact O-N 3.3Å; L110-M134 HydrophobicContact CB-CE 3.89Å; L110-M134 HydrophobicContact CD1-CE 4.14Å
111	S	95.2	Very high	96.4	Very high	18 Å²	18	36.5 Å²	36.5	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-41.5	179.8	-178.2	0	0	0	0	112	L107 H108 L109 L114 T115	L107-S111 PolarHBondContact O-N 3.42Å; H108-S111 PolarHBondContact O-N 3.21Å; L109-S111 PolarHBondContact O-N 3Å; S111-L114 PolarHBondContact O-N 2.94Å; S111-T115 PolarHBondContact O-N 3.3Å; S111-T115 VanDerWaalsContact O-N 3.11Å; S111-T115 PolarHBondContact O-OG1 3.16Å
112	H	96.2	Very high	96.5	Very high	57 Å²	57	37.4 Å²	37.4	26%	0.264	20%	0.201	S	C	.	.	H	α-helix	trans	-66.5	-43.2	178.6	-173.9	63.5	0	0	0	112.6	H108 L109 L110 L114 T115 A116 W288	H108-H112 VanDerWaalsContact O-CB 3.28Å; H108-H112 WeakPolarHBondContact O-CB 3.29Å; H108-H112 PolarHBondContact O-N 3.35Å; L109-H112 PolarHBondContact O-N 2.91Å; L110-H112 VanDerWaalsContact C-N 3.31Å; L110-H112 PolarHBondContact O-N 3.39Å; H112-L114 VanDerWaalsContact C-N 3.32Å; H112-L114 PolarHBondContact O-N 2.85Å; H112-T115 PolarHBondContact O-N 2.86Å; H112-A116 WeakPolarHBondContact O-CB 3.49Å; H112-A116 PolarHBondContact O-N 3.41Å; H112-W288 HydrophobicContact CB-CH2 4.04Å; H112-W288 HydrophobicContact CB-CZ2 3.92Å
113	L	97.9	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-43.5	177.9	-70.4	176.5	0	0	0	111.3	V74 L109 L110 A116 Y117 I123 M127 L132 L296 W299	V74-L113 HydrophobicContact CG1-CD1 4.5Å; L109-L113 HydrophobicContact CD1-CD1 4.23Å; L109-L113 HydrophobicContact CD1-CD2 4.2Å; L109-L113 HydrophobicContact CD1-CG 4Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 HydrophobicContact CG-CG 4.15Å; L109-L113 WeakPolarHBondContact O-CB 3.43Å; L109-L113 WeakPolarHBondContact O-CG 3.19Å; L109-L113 PolarHBondContact O-N 3.24Å; L110-L113 PolarHBondContact O-N 3.05Å; L113-A116 PolarHBondContact O-N 3.4Å; L113-Y117 WeakPolarHBondContact O-CB 3.41Å; L113-Y117 PolarHBondContact O-N 2.95Å; L113-I123 HydrophobicContact CD2-CB 4.42Å; L113-I123 HydrophobicContact CD2-CD1 4.26Å; L113-I123 HydrophobicContact CD2-CG1 4.03Å; L113-I123 HydrophobicContact CD2-CG2 3.69Å; L113-M127 HydrophobicContact CB-SD 4.01Å; L113-L132 HydrophobicContact CD1-CD2 3.83Å; L113-L296 HydrophobicContact CD2-CD2 4.21Å; L113-W299 HydrophobicContact CD1-CH2 4.28Å; L113-W299 HydrophobicContact CD1-CZ3 3.9Å; L113-W299 HydrophobicContact CD2-CZ3 3.76Å
114	L	96.8	Very high	96.7	Very high	20 Å²	20	37.8 Å²	37.8	11%	0.105	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-38.6	179.7	-63.4	167.8	0	0	0	112.5	M47 H51 K54 V55 L110 S111 H112	M47-L114 HydrophobicContact CB-CD1 4.39Å; M47-L114 HydrophobicContact SD-CD1 3.92Å; H51-L114 HydrophobicContact CB-CD2 4.14Å; K54-L114 HydrophobicContact CB-CD2 4.12Å; V55-L114 HydrophobicContact CG2-CD1 3.8Å; V55-L114 HydrophobicContact CG2-CD2 3.43Å; V55-L114 VanDerWaalsContact CG2-CD2 3.43Å; V55-L114 HydrophobicContact CG2-CG 4.16Å; L110-L114 HydrophobicContact CD1-CD1 4.02Å; L110-L114 HydrophobicContact CD1-CG 4.41Å; L110-L114 HydrophobicContact CG-CD1 4.17Å; L110-L114 WeakPolarHBondContact O-CG 3.29Å; L110-L114 PolarHBondContact O-N 3.3Å; S111-L114 PolarHBondContact O-N 2.94Å; H112-L114 VanDerWaalsContact C-N 3.32Å; H112-L114 PolarHBondContact O-N 2.85Å
115	T	95.3	Very high	96.8	Very high	99 Å²	99	41.2 Å²	41.2	61%	0.607	22%	0.216	S	C	*	.	H	α-helix	trans	-74.6	-35.1	179	-55.3	0	0	0	0	112.2	S111 H112	S111-T115 PolarHBondContact O-N 3.3Å; S111-T115 VanDerWaalsContact O-N 3.11Å; S111-T115 PolarHBondContact O-OG1 3.16Å; H112-T115 PolarHBondContact O-N 2.86Å
116	A	96.3	Very high	97	Very high	11 Å²	11	41 Å²	41	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-91.9	-12.1	-174.7	0	0	0	0	0	113.7	H112 L113 G118 E119 H120 I123	H112-A116 WeakPolarHBondContact O-CB 3.49Å; H112-A116 PolarHBondContact O-N 3.41Å; L113-A116 PolarHBondContact O-N 3.4Å; A116-G118 PolarHBondContact O-N 2.86Å; A116-E119 PolarHBondContact O-N 3.2Å; A116-H120 HydrophobicContact CB-CB 3.95Å; A116-H120 PolarHBondContact O-N 2.94Å; A116-I123 HydrophobicContact CB-CD1 3.57Å; A116-I123 HydrophobicContact CB-CG2 4.38Å
117	Y	97.5	Very high	97	Very high	64 Å²	64	40.5 Å²	40.5	25%	0.251	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	130	175.3	-178.1	-98	0	0	0	111	K54 A76 L113 E119 T124 M127 D128	K54-Y117 HydrophobicContact CD-CD1 4.21Å; K54-Y117 VanDerWaalsContact CE-CD1 3.41Å; K54-Y117 VanDerWaalsContact CE-CE1 3.47Å; A76-Y117 HydrophobicContact CB-CE2 3.85Å; A76-Y117 WeakPolarHBondContact CB-OH 3.39Å; L113-Y117 WeakPolarHBondContact O-CB 3.41Å; L113-Y117 PolarHBondContact O-N 2.95Å; Y117-E119 VanDerWaalsContact C-N 3.27Å; Y117-E119 PolarHBondContact O-N 3.02Å; Y117-T124 HydrophobicContact CD2-CG2 4.29Å; Y117-T124 HydrophobicContact CE2-CG2 3.85Å; Y117-M127 HydrophobicContact CD2-CB 3.8Å; Y117-M127 HydrophobicContact CD2-CE 3.76Å; Y117-M127 HydrophobicContact CD2-CG 4.28Å; Y117-M127 HydrophobicContact CD2-SD 3.63Å; Y117-M127 HydrophobicContact CE2-CB 3.87Å; Y117-M127 HydrophobicContact CE2-CE 4.45Å; Y117-M127 HydrophobicContact CG-CE 4.02Å; Y117-M127 HydrophobicContact CG-SD 4.12Å; Y117-D128 WeakPolarHBondContact CE2-OD1 3.21Å; Y117-D128 PolarHBondContact OH-OD1 3.4Å
118	G	97.2	Very high	97.1	Very high	53 Å²	53	44 Å²	44	55%	0.546	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-25.1	-173.5	0	0	0	0	0	114.1	A116 T124	A116-G118 PolarHBondContact O-N 2.86Å; G118-T124 PolarHBondContact N-OG1 3.44Å
119	E	97.3	Very high	97.3	Very high	172 Å²	172	45 Å²	45	80%	0.804	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-40.2	-178.7	-61.6	-59.8	146	0	0	112.5	A116 Y117	A116-E119 PolarHBondContact O-N 3.2Å; Y117-E119 VanDerWaalsContact C-N 3.27Å; Y117-E119 PolarHBondContact O-N 3.02Å
120	H	97.1	Very high	97.3	Very high	64 Å²	64	45 Å²	45	30%	0.296	24%	0.24	S	C	.	.	S	Bend	trans	-102.3	105.5	-177.3	-171.3	-74.1	0	0	0	111.3	A116 L122 I123 T124	A116-H120 HydrophobicContact CB-CB 3.95Å; A116-H120 PolarHBondContact O-N 2.94Å; H120-L122 PolarHBondContact O-N 2.82Å; H120-L122 VanDerWaalsContact O-N 3.13Å; H120-I123 HydrophobicContact CB-CB 4.17Å; H120-I123 HydrophobicContact CB-CD1 4.07Å; H120-I123 HydrophobicContact CB-CG1 4.37Å; H120-I123 PolarHBondContact ND1-N 2.81Å; H120-I123 PolarHBondContact O-N 2.79Å; H120-T124 PolarHBondContact O-N 2.76Å; H120-T124 PolarHBondContact O-OG1 2.87Å
121	K	98	Very high	97.3	Very high	155 Å²	155	45.7 Å²	45.7	67%	0.674	24%	0.243	S	C	*	.	H	α-helix	trans	-42.7	-53.5	-174.2	-177.4	178.2	173.7	-178.1	0	114.6	I123 T124 E125	K121-I123 VanDerWaalsContact C-N 3.35Å; K121-I123 PolarHBondContact O-N 3.11Å; K121-T124 PolarHBondContact O-N 2.92Å; K121-E125 WeakPolarHBondContact CE-OE1 3.28Å; K121-E125 WeakPolarHBondContact CG-OE1 3.36Å; K121-E125 IonicContact NZ-OE1 2.83Å; K121-E125 WeakPolarHBondContact O-CB 3.22Å; K121-E125 WeakPolarHBondContact O-CG 3.46Å; K121-E125 PolarHBondContact O-N 3.39Å
122	L	97.4	Very high	97.5	Very high	20 Å²	20	44.9 Å²	44.9	11%	0.105	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-36.3	-178	178.9	60.3	0	0	0	112.5	H120 E125 L126 L296	H120-L122 PolarHBondContact O-N 2.82Å; H120-L122 VanDerWaalsContact O-N 3.13Å; L122-E125 PolarHBondContact O-N 2.97Å; L122-L126 HydrophobicContact CD1-CD1 4.01Å; L122-L126 HydrophobicContact CD1-CG 4.06Å; L122-L126 HydrophobicContact CG-CD1 3.88Å; L122-L126 HydrophobicContact CG-CG 4.37Å; L122-L126 WeakPolarHBondContact O-CB 3.24Å; L122-L126 WeakPolarHBondContact O-CD1 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.12Å; L122-L126 PolarHBondContact O-N 3.36Å; L122-L296 HydrophobicContact CD2-CB 3.89Å
123	I	98.4	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.5	-45.5	-179.8	-74.1	172.4	0	0	0	109.2	L113 A116 H120 K121 E125 L126 M127 L296	L113-I123 HydrophobicContact CD2-CB 4.42Å; L113-I123 HydrophobicContact CD2-CD1 4.26Å; L113-I123 HydrophobicContact CD2-CG1 4.03Å; L113-I123 HydrophobicContact CD2-CG2 3.69Å; A116-I123 HydrophobicContact CB-CD1 3.57Å; A116-I123 HydrophobicContact CB-CG2 4.38Å; H120-I123 HydrophobicContact CB-CB 4.17Å; H120-I123 HydrophobicContact CB-CD1 4.07Å; H120-I123 HydrophobicContact CB-CG1 4.37Å; H120-I123 PolarHBondContact ND1-N 2.81Å; H120-I123 PolarHBondContact O-N 2.79Å; K121-I123 VanDerWaalsContact C-N 3.35Å; K121-I123 PolarHBondContact O-N 3.11Å; I123-E125 PolarHBondContact O-N 3.06Å; I123-L126 PolarHBondContact O-N 3.45Å; I123-M127 HydrophobicContact CG2-CG 4.47Å; I123-M127 HydrophobicContact CG2-SD 3.88Å; I123-M127 WeakPolarHBondContact O-CB 3.37Å; I123-M127 WeakPolarHBondContact O-CG 3.27Å; I123-M127 PolarHBondContact O-N 3.2Å; I123-L296 HydrophobicContact CD1-CD1 4.06Å; I123-L296 HydrophobicContact CG1-CD1 3.83Å; I123-L296 HydrophobicContact CG1-CD2 3.9Å
124	T	98.5	Very high	97.5	Very high	27 Å²	27	42.1 Å²	42.1	17%	0.166	22%	0.224	C	C	.	.	H	α-helix	trans	-55.9	-51.2	174	-52.2	0	0	0	0	110.8	Y117 G118 H120 K121 L126 M127 D128	Y117-T124 HydrophobicContact CD2-CG2 4.29Å; Y117-T124 HydrophobicContact CE2-CG2 3.85Å; G118-T124 PolarHBondContact N-OG1 3.44Å; H120-T124 PolarHBondContact O-N 2.76Å; H120-T124 PolarHBondContact O-OG1 2.87Å; K121-T124 PolarHBondContact O-N 2.92Å; T124-L126 VanDerWaalsContact C-N 3.32Å; T124-L126 PolarHBondContact O-N 3.01Å; T124-M127 PolarHBondContact O-N 3.1Å; T124-D128 WeakPolarHBondContact CG2-OD2 3.08Å; T124-D128 VanDerWaalsContact O-CB 3.29Å; T124-D128 WeakPolarHBondContact O-CB 3.43Å; T124-D128 PolarHBondContact O-N 3.15Å
125	E	98.2	Very high	97.6	Very high	72 Å²	72	41.2 Å²	41.2	34%	0.336	22%	0.219	S	C	.	.	H	α-helix	trans	-61.4	-36.4	178.7	-74.5	176.5	-169.4	0	0	113.6	K121 L122 I123 S129	K121-E125 WeakPolarHBondContact CE-OE1 3.28Å; K121-E125 WeakPolarHBondContact CG-OE1 3.36Å; K121-E125 IonicContact NZ-OE1 2.83Å; K121-E125 WeakPolarHBondContact O-CB 3.22Å; K121-E125 WeakPolarHBondContact O-CG 3.46Å; K121-E125 PolarHBondContact O-N 3.39Å; L122-E125 PolarHBondContact O-N 2.97Å; I123-E125 PolarHBondContact O-N 3.06Å; E125-S129 WeakPolarHBondContact O-CB 3.29Å; E125-S129 PolarHBondContact O-N 3.15Å; E125-S129 PolarHBondContact O-OG 3.23Å
126	L	98.4	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.6	-47.4	177.2	-72.4	169.3	0	0	0	111.1	L122 I123 T124 D128 S129 T130 L296 W299 E300 K303	L122-L126 HydrophobicContact CD1-CD1 4.01Å; L122-L126 HydrophobicContact CD1-CG 4.06Å; L122-L126 HydrophobicContact CG-CD1 3.88Å; L122-L126 HydrophobicContact CG-CG 4.37Å; L122-L126 WeakPolarHBondContact O-CB 3.24Å; L122-L126 WeakPolarHBondContact O-CD1 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.12Å; L122-L126 PolarHBondContact O-N 3.36Å; I123-L126 PolarHBondContact O-N 3.45Å; T124-L126 VanDerWaalsContact C-N 3.32Å; T124-L126 PolarHBondContact O-N 3.01Å; L126-D128 PolarHBondContact O-N 3.11Å; L126-S129 PolarHBondContact O-N 3.05Å; L126-T130 PolarHBondContact O-N 3.22Å; L126-T130 PolarHBondContact O-OG1 2.89Å; L126-L296 HydrophobicContact CD1-CB 4.22Å; L126-L296 HydrophobicContact CD1-CD2 4.05Å; L126-W299 HydrophobicContact CB-CD2 3.95Å; L126-W299 HydrophobicContact CB-CE3 3.99Å; L126-W299 HydrophobicContact CB-CH2 3.86Å; L126-W299 HydrophobicContact CB-CZ2 3.82Å; L126-W299 HydrophobicContact CB-CZ3 3.94Å; L126-W299 HydrophobicContact CD1-CB 4.29Å; L126-W299 HydrophobicContact CD1-CD2 3.88Å; L126-W299 HydrophobicContact CD1-CE3 3.68Å; L126-W299 HydrophobicContact CD1-CG 4.18Å; L126-W299 HydrophobicContact CD1-CZ3 4.25Å; L126-W299 HydrophobicContact CD2-CB 4.28Å; L126-W299 HydrophobicContact CD2-CD2 4.03Å; L126-W299 HydrophobicContact CD2-CG 3.86Å; L126-W299 HydrophobicContact CG-CD2 4.17Å; L126-W299 HydrophobicContact CG-CE3 4.3Å; L126-W299 HydrophobicContact CG-CG 4.46Å; L126-E300 HydrophobicContact CD2-CB 4.22Å; L126-K303 HydrophobicContact CD2-CD 4.04Å
127	M	98.3	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.2	-33.7	178.4	-71.9	-179	60.7	0	0	113.2	K54 V74 A76 L113 Y117 I123 T124 W299	K54-M127 HydrophobicContact CD-CE 4.24Å; V74-M127 HydrophobicContact CG1-CE 3.84Å; V74-M127 HydrophobicContact CG1-SD 4.46Å; A76-M127 HydrophobicContact CB-CB 4.41Å; A76-M127 WeakPolarHBondContact CB-O 3.31Å; A76-M127 PolarHBondContact N-O 3.07Å; L113-M127 HydrophobicContact CB-SD 4.01Å; Y117-M127 HydrophobicContact CD2-CB 3.8Å; Y117-M127 HydrophobicContact CD2-CE 3.76Å; Y117-M127 HydrophobicContact CD2-CG 4.28Å; Y117-M127 HydrophobicContact CD2-SD 3.63Å; Y117-M127 HydrophobicContact CE2-CB 3.87Å; Y117-M127 HydrophobicContact CE2-CE 4.45Å; Y117-M127 HydrophobicContact CG-CE 4.02Å; Y117-M127 HydrophobicContact CG-SD 4.12Å; I123-M127 HydrophobicContact CG2-CG 4.47Å; I123-M127 HydrophobicContact CG2-SD 3.88Å; I123-M127 WeakPolarHBondContact O-CB 3.37Å; I123-M127 WeakPolarHBondContact O-CG 3.27Å; I123-M127 PolarHBondContact O-N 3.2Å; T124-M127 PolarHBondContact O-N 3.1Å; M127-W299 HydrophobicContact CG-CH2 3.99Å
128	D	97.9	Very high	97.8	Very high	74 Å²	74	33.6 Å²	33.6	40%	0.396	18%	0.178	S	C	.	.	H	α-helix	trans	-70.1	-33.8	177.8	-73.2	-15.7	0	0	0	112.3	A76 Y117 T124 L126	A76-D128 WeakPolarHBondContact CB-OD1 3.32Å; Y117-D128 WeakPolarHBondContact CE2-OD1 3.21Å; Y117-D128 PolarHBondContact OH-OD1 3.4Å; T124-D128 WeakPolarHBondContact CG2-OD2 3.08Å; T124-D128 VanDerWaalsContact O-CB 3.29Å; T124-D128 WeakPolarHBondContact O-CB 3.43Å; T124-D128 PolarHBondContact O-N 3.15Å; L126-D128 PolarHBondContact O-N 3.11Å
129	S	97	Very high	97.8	Very high	39 Å²	39	31 Å²	31	27%	0.273	15%	0.152	S	C	.	.	H	α-helix	trans	-107.3	-11	-168.6	65.4	0	0	0	0	115	P87 E125 L126 K303	P87-S129 WeakPolarHBondContact CD-O 3.39Å; E125-S129 WeakPolarHBondContact O-CB 3.29Å; E125-S129 PolarHBondContact O-N 3.15Å; E125-S129 PolarHBondContact O-OG 3.23Å; L126-S129 PolarHBondContact O-N 3.05Å; S129-K303 WeakPolarHBondContact OG-CD 3.41Å; S129-K303 WeakPolarHBondContact OG-CE 3.29Å; S129-K303 PolarHBondContact OG-NZ 3.43Å
130	T	97.6	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.			trans	-138.4	168.4	-177.6	71.2	0	0	0	0	111.3	P87 L126 W299 K303	P87-T130 HydrophobicContact CB-CG2 4.47Å; P87-T130 HydrophobicContact CG-CG2 4.4Å; P87-T130 WeakPolarHBondContact O-CA 3.34Å; L126-T130 PolarHBondContact O-N 3.22Å; L126-T130 PolarHBondContact O-OG1 2.89Å; T130-W299 WeakPolarHBondContact OG1-CZ2 3.28Å; T130-W299 PolarHBondContact OG1-NE1 3.24Å; T130-K303 HydrophobicContact CG2-CD 4.16Å; T130-K303 HydrophobicContact CG2-CG 3.72Å
131	R	97.7	Very high	98	Very high	15 Å²	15	20.1 Å²	20.1	6%	0.057	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.3	170.4	178.7	171.8	175.8	-87.3	0.7	108.3	A75 P79 L81 P87 N88 V89	A75-R131 HydrophobicContact CB-CG 4.49Å; P79-R131 PolarHBondContact O-NE 3.05Å; P79-R131 PolarHBondContact O-NH2 2.97Å; L81-R131 VanDerWaalsContact O-CD 3.3Å; L81-R131 WeakPolarHBondContact O-CD 3.41Å; L81-R131 PolarHBondContact O-NE 3.43Å; P87-R131 PolarHBondContact O-N 2.75Å; N88-R131 CarbonylContact C-O 3.54Å; N88-R131 VanDerWaalsContact CA-O 3.29Å; N88-R131 WeakPolarHBondContact CA-O 3.44Å; N88-R131 WeakPolarHBondContact OD1-CD 3.27Å; N88-R131 PolarHBondContact OD1-NH1 3.31Å; V89-R131 PolarHBondContact N-O 3.31Å
132	L	97.9	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.7	175.8	177.5	62.3	0	0	0	109.1	A73 V74 V89 F91 L109 L113 M134 W299	A73-L132 CarbonylContact C-O 3.36Å; A73-L132 WeakPolarHBondContact CA-O 3.24Å; V74-L132 PolarHBondContact N-O 2.89Å; V74-L132 PolarHBondContact O-N 3Å; V89-L132 HydrophobicContact CB-CD1 4.02Å; V89-L132 HydrophobicContact CG1-CD1 3.9Å; F91-L132 HydrophobicContact CD1-CD1 4.4Å; F91-L132 HydrophobicContact CD2-CD1 3.63Å; F91-L132 HydrophobicContact CD2-CD2 4.22Å; F91-L132 HydrophobicContact CD2-CG 4.49Å; F91-L132 HydrophobicContact CE1-CD1 4.39Å; F91-L132 HydrophobicContact CE2-CD1 3.65Å; F91-L132 HydrophobicContact CE2-CD2 4.1Å; F91-L132 HydrophobicContact CG-CD1 4.01Å; F91-L132 HydrophobicContact CZ-CD1 4.05Å; L109-L132 HydrophobicContact CD2-CD2 4.33Å; L113-L132 HydrophobicContact CD1-CD2 3.83Å; L132-M134 HydrophobicContact CD1-CG 4.33Å; L132-M134 HydrophobicContact CD2-CE 4.34Å; L132-M134 HydrophobicContact CD2-CG 4.12Å; L132-M134 HydrophobicContact CD2-SD 3.94Å; L132-M134 HydrophobicContact CG-CG 3.96Å; L132-M134 HydrophobicContact CG-SD 4.43Å; L132-W299 HydrophobicContact CB-CH2 3.82Å; L132-W299 HydrophobicContact CB-CZ2 3.56Å; L132-W299 HydrophobicContact CD2-CE3 4.11Å; L132-W299 HydrophobicContact CD2-CH2 3.92Å; L132-W299 HydrophobicContact CD2-CZ2 4.32Å; L132-W299 HydrophobicContact CD2-CZ3 3.8Å; L132-W299 HydrophobicContact CG-CH2 4.48Å; L132-W299 HydrophobicContact CG-CZ2 4.45Å
133	V	98	Very high	98.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.6	169.1	-173.5	0	0	0	0	108.5	F58 V72 A73 V89 L90 F91 W190	F58-V133 HydrophobicContact CZ-CG1 4.08Å; V72-V133 CarbonylContact O-C 3.03Å; V72-V133 WeakPolarHBondContact O-CA 3.41Å; A73-V133 HydrophobicContact CB-CG2 4.27Å; V89-V133 PolarHBondContact O-N 3.28Å; L90-V133 CarbonylContact C-O 3.58Å; L90-V133 WeakPolarHBondContact CA-O 3.43Å; L90-V133 HydrophobicContact CD1-CB 4.17Å; L90-V133 HydrophobicContact CD1-CG1 4.19Å; F91-V133 PolarHBondContact N-O 3.29Å; V133-W190 HydrophobicContact CB-CH2 4.43Å; V133-W190 HydrophobicContact CG1-CH2 3.76Å; V133-W190 HydrophobicContact CG1-CZ2 3.68Å
134	M	97.7	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.3	177.5	-60.6	-179.2	-74.9	0	0	110.3	A71 V72 V74 F91 L106 L109 L110 L132	A71-M134 CarbonylContact C-O 3.59Å; A71-M134 VanDerWaalsContact CA-O 3.23Å; A71-M134 WeakPolarHBondContact CA-O 3.32Å; V72-M134 HydrophobicContact CG1-CB 3.86Å; V72-M134 HydrophobicContact CG1-CE 3.84Å; V72-M134 PolarHBondContact N-O 3.36Å; V72-M134 PolarHBondContact O-N 2.98Å; V74-M134 HydrophobicContact CG2-CE 3.89Å; F91-M134 HydrophobicContact CB-CG 4.26Å; F91-M134 HydrophobicContact CD2-CG 4.49Å; F91-M134 CarbonylContact O-C 3.3Å; F91-M134 WeakPolarHBondContact O-CA 3.26Å; L106-M134 HydrophobicContact CB-SD 4.21Å; L106-M134 HydrophobicContact CD1-CB 4.37Å; L106-M134 HydrophobicContact CD2-CG 4.33Å; L106-M134 HydrophobicContact CD2-SD 3.92Å; L109-M134 HydrophobicContact CD2-SD 3.9Å; L109-M134 HydrophobicContact CG-SD 4.41Å; L110-M134 HydrophobicContact CB-CE 3.89Å; L110-M134 HydrophobicContact CD1-CE 4.14Å; L132-M134 HydrophobicContact CD1-CG 4.33Å; L132-M134 HydrophobicContact CD2-CE 4.34Å; L132-M134 HydrophobicContact CD2-CG 4.12Å; L132-M134 HydrophobicContact CD2-SD 3.94Å; L132-M134 HydrophobicContact CG-CG 3.96Å; L132-M134 HydrophobicContact CG-SD 4.43Å
135	I	98	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	91.3	168.4	-52.5	-177.7	0	0	0	107	I60 I69 A71 L90 F91 T92 A93 S137 M138 F187 W190	I60-I135 HydrophobicContact CD1-CD1 3.73Å; I60-I135 HydrophobicContact CG2-CD1 4.43Å; I69-I135 HydrophobicContact CG2-CG2 3.85Å; A71-I135 HydrophobicContact CB-CG1 3.9Å; L90-I135 HydrophobicContact CD1-CD1 4.41Å; L90-I135 HydrophobicContact CD1-CG1 4.25Å; F91-I135 PolarHBondContact O-N 3.09Å; T92-I135 CarbonylContact C-O 3.59Å; T92-I135 WeakPolarHBondContact CA-O 3.26Å; T92-I135 HydrophobicContact CG2-CB 4.07Å; T92-I135 HydrophobicContact CG2-CD1 4.2Å; T92-I135 HydrophobicContact CG2-CG1 4.29Å; A93-I135 PolarHBondContact N-O 3.13Å; I135-S137 VanDerWaalsContact C-N 3.28Å; I135-S137 PolarHBondContact O-N 3.33Å; I135-M138 HydrophobicContact CG2-CG 4.07Å; I135-F187 HydrophobicContact CD1-CD2 3.99Å; I135-F187 HydrophobicContact CD1-CE2 4.04Å; I135-W190 HydrophobicContact CD1-CE3 3.88Å; I135-W190 HydrophobicContact CD1-CH2 4.12Å; I135-W190 HydrophobicContact CD1-CZ3 3.55Å
136	P	97.4	Very high	98	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	9%	0.086	C	C	.	.	S	Bend	trans	-64.4	-27.8	-171.7	-27.2	37.9	0	0	0	114.9	L40 L44 M70 A93 R103 L106 L107	L40-P136 HydrophobicContact CD1-CB 4.05Å; L44-P136 HydrophobicContact CD1-CG 4.43Å; M70-P136 WeakPolarHBondContact O-CD 3.44Å; A93-P136 WeakPolarHBondContact CB-O 3.44Å; R103-P136 VanDerWaalsContact CA-O 3.3Å; R103-P136 WeakPolarHBondContact CA-O 3.38Å; R103-P136 WeakPolarHBondContact CB-O 2.88Å; R103-P136 HydrophobicContact CG-CB 4.48Å; R103-P136 VanDerWaalsContact CG-O 3.28Å; R103-P136 WeakPolarHBondContact CG-O 3Å; L106-P136 HydrophobicContact CB-CB 4.32Å; L106-P136 HydrophobicContact CB-CG 4.26Å; L107-P136 HydrophobicContact CD2-CB 3.9Å; L107-P136 HydrophobicContact CD2-CG 3.79Å
137	S	97.8	Very high	98	Very high	6 Å²	6	17.1 Å²	17.1	4%	0.042	10%	0.104	C	C	.	.			trans	-139.5	102.9	178.3	-171.5	0	0	0	0	110.6	N94 I135 P140	N94-S137 PolarHBondContact OD1-OG 3.23Å; I135-S137 VanDerWaalsContact C-N 3.28Å; I135-S137 PolarHBondContact O-N 3.33Å; S137-P140 WeakPolarHBondContact OG-CA 3.28Å
138	M	98	Very high	97.9	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.034	12%	0.12	C	C	.	.	S	Bend	trans	-76.8	-26.4	172.8	-68	-166.9	74.6	0	0	112.6	T92 A93 I95 I135 P140 Y169 F187 L256	T92-M138 WeakPolarHBondContact CB-SD 3.2Å; T92-M138 HydrophobicContact CG2-CG 4.45Å; T92-M138 HydrophobicContact CG2-SD 3.88Å; A93-M138 PolarHBondContact O-N 3.49Å; I95-M138 HydrophobicContact CB-CB 4.21Å; I95-M138 HydrophobicContact CB-SD 4.13Å; I95-M138 HydrophobicContact CD1-CE 4.4Å; I95-M138 HydrophobicContact CD1-SD 4.21Å; I95-M138 HydrophobicContact CG1-CB 4.48Å; I95-M138 HydrophobicContact CG1-SD 4.32Å; I135-M138 HydrophobicContact CG2-CG 4.07Å; M138-P140 VanDerWaalsContact C-CD 3.47Å; M138-P140 WeakPolarHBondContact O-CD 3.46Å; M138-Y169 WeakPolarHBondContact CE-OH 3.34Å; M138-F187 HydrophobicContact CE-CB 4.06Å; M138-F187 HydrophobicContact CE-CD2 3.48Å; M138-F187 VanDerWaalsContact CE-CD2 3.48Å; M138-F187 HydrophobicContact CE-CE2 4.04Å; M138-F187 HydrophobicContact CE-CG 3.79Å; M138-L256 HydrophobicContact CE-CD2 4.33Å; M138-L256 HydrophobicContact SD-CD2 4.05Å
139	N	98.4	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.115	C	C	.	.			trans	-123.7	70.4	179.3	-172.2	2.9	0	0	0	111.7	N94 I95 G97 D141 G142 F143 R157 S158 N159 L165	N94-N139 VanDerWaalsContact O-CB 3.3Å; N94-N139 WeakPolarHBondContact O-CB 3.49Å; N94-N139 PolarHBondContact O-N 3.13Å; I95-N139 VanDerWaalsContact O-CB 3.25Å; I95-N139 WeakPolarHBondContact O-CB 3.47Å; I95-N139 PolarHBondContact O-ND2 3.2Å; G97-N139 PolarHBondContact N-ND2 3.44Å; N139-D141 PolarHBondContact O-N 3.47Å; N139-G142 PolarHBondContact O-N 3.05Å; N139-G142 WeakPolarHBondContact OD1-CA 3.22Å; N139-G142 PolarHBondContact OD1-N 2.91Å; N139-F143 PolarHBondContact O-N 3.09Å; N139-R157 PolarHBondContact ND2-O 3.28Å; N139-R157 VanDerWaalsContact ND2-O 3.1Å; N139-S158 VanDerWaalsContact ND2-C 3.26Å; N139-S158 PolarHBondContact ND2-O 2.88Å; N139-N159 PolarHBondContact ND2-N 2.99Å; N139-N159 WeakPolarHBondContact OD1-CA 3.3Å; N139-L165 HydrophobicContact CB-CD1 3.76Å
140	P	98.5	Very high	97.8	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.019	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-30.9	-179.5	25	-34.5	0	0	0	112.8	N37 N67 I69 S137 M138 F143 N144	N37-P140 WeakPolarHBondContact ND2-CA 3.32Å; N37-P140 VanDerWaalsContact ND2-CB 3.27Å; N37-P140 WeakPolarHBondContact ND2-CB 3.47Å; N37-P140 PolarHBondContact ND2-O 2.8Å; N67-P140 HydrophobicContact CB-CB 3.89Å; N67-P140 HydrophobicContact CB-CG 3.84Å; I69-P140 HydrophobicContact CG1-CG 4.37Å; S137-P140 WeakPolarHBondContact OG-CA 3.28Å; M138-P140 VanDerWaalsContact C-CD 3.47Å; M138-P140 WeakPolarHBondContact O-CD 3.46Å; P140-F143 PolarHBondContact O-N 3.35Å; P140-N144 PolarHBondContact O-N 3.16Å
141	D	98.7	Very high	97.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-71.5	-44	179.8	-62.5	-1.3	0	0	0	111.2	S63 V64 E65 N67 N139 F143 N144 A145 K160	S63-D141 VanDerWaalsContact CB-OD1 3.24Å; S63-D141 WeakPolarHBondContact CB-OD1 3.3Å; S63-D141 WeakPolarHBondContact CB-OD2 2.87Å; S63-D141 PolarHBondContact OG-OD1 3.37Å; S63-D141 PolarHBondContact OG-OD2 3.21Å; V64-D141 WeakPolarHBondContact CB-OD2 3.44Å; V64-D141 PolarHBondContact N-OD2 3.39Å; E65-D141 HydrophobicContact CG-CB 4.45Å; E65-D141 PolarHBondContact N-OD2 3.01Å; N67-D141 PolarHBondContact ND2-OD1 3.2Å; N139-D141 PolarHBondContact O-N 3.47Å; D141-F143 VanDerWaalsContact C-N 3.29Å; D141-F143 PolarHBondContact O-N 3Å; D141-N144 PolarHBondContact O-N 3.36Å; D141-A145 PolarHBondContact O-N 2.98Å; D141-A145 VanDerWaalsContact O-N 3.08Å; D141-K160 HydrophobicContact CB-CB 4.14Å
142	G	98.5	Very high	97.3	Very high	1 Å²	1	26 Å²	26	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-40.2	172.5	0	0	0	0	0	111.8	N139 A145 A146 G156	N139-G142 PolarHBondContact O-N 3.05Å; N139-G142 WeakPolarHBondContact OD1-CA 3.22Å; N139-G142 PolarHBondContact OD1-N 2.91Å; G142-A145 PolarHBondContact O-N 3.4Å; G142-A146 PolarHBondContact O-N 3.36Å; G142-G156 CarbonylContact C-O 3.47Å; G142-G156 VanDerWaalsContact CA-O 3.26Å; G142-G156 WeakPolarHBondContact CA-O 3.33Å; G142-G156 WeakPolarHBondContact O-CA 3.27Å
143	F	98.4	Very high	97.1	Very high	12 Å²	12	29.1 Å²	29.1	5%	0.053	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-47.2	174.1	170.9	-94.3	0	0	0	112.2	R35 N37 G97 V100 R103 N139 P140 D141 A145 A146 Y278	R35-F143 WeakPolarHBondContact O-CZ 2.99Å; N37-F143 VanDerWaalsContact OD1-CD1 3.29Å; N37-F143 WeakPolarHBondContact OD1-CD1 3.31Å; G97-F143 VanDerWaalsContact O-CA 3.23Å; G97-F143 WeakPolarHBondContact O-CA 2.9Å; V100-F143 HydrophobicContact CG1-CD2 4.06Å; V100-F143 HydrophobicContact CG1-CE2 3.61Å; V100-F143 HydrophobicContact CG2-CD2 4Å; V100-F143 HydrophobicContact CG2-CE2 4.15Å; R103-F143 VanDerWaalsContact NH1-CE2 3.27Å; R103-F143 VanDerWaalsContact NH2-CE1 3.32Å; N139-F143 PolarHBondContact O-N 3.09Å; P140-F143 PolarHBondContact O-N 3.35Å; D141-F143 VanDerWaalsContact C-N 3.29Å; D141-F143 PolarHBondContact O-N 3Å; F143-A145 PolarHBondContact O-N 3.45Å; F143-A146 PolarHBondContact O-N 3.49Å; F143-Y278 HydrophobicContact CE2-CE1 4.42Å
144	N	98.1	Very high	96.9	Very high	83 Å²	83	35.2 Å²	35.2	44%	0.444	20%	0.199	S	C	.	.	H	α-helix	trans	-60.9	-31.4	176.5	-76.4	-19	0	0	0	112.6	N37 P140 D141	N37-N144 VanDerWaalsContact ND2-CG 3.34Å; N37-N144 PolarHBondContact ND2-ND2 2.85Å; N37-N144 PolarHBondContact ND2-OD1 2.87Å; P140-N144 PolarHBondContact O-N 3.16Å; D141-N144 PolarHBondContact O-N 3.36Å
145	A	98.1	Very high	96.9	Very high	43 Å²	43	42.3 Å²	42.3	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-81.5	-22.4	179	0	0	0	0	0	113.7	D141 G142 F143 R155	D141-A145 PolarHBondContact O-N 2.98Å; D141-A145 VanDerWaalsContact O-N 3.08Å; G142-A145 PolarHBondContact O-N 3.4Å; F143-A145 PolarHBondContact O-N 3.45Å; A145-R155 WeakPolarHBondContact O-CG 3.2Å; A145-R155 PolarHBondContact O-NE 3.22Å
146	A	98	Very high	96.8	Very high	13 Å²	13	42.8 Å²	42.8	11%	0.107	23%	0.231	C	C	.	.			trans	-71.4	162.8	-179.8	0	0	0	0	0	112	N98 G142 F143 Y278	N98-A146 HydrophobicContact CB-CB 3.7Å; G142-A146 PolarHBondContact O-N 3.36Å; F143-A146 PolarHBondContact O-N 3.49Å; A146-Y278 HydrophobicContact CB-CD1 3.75Å; A146-Y278 HydrophobicContact CB-CE1 3.97Å
147	V	97.7	Very high	96.9	Very high	60 Å²	60	45.1 Å²	45.1	36%	0.364	24%	0.239	S	C	.	.			trans	-128.4	126	-175.2	-178.4	0	0	0	0	109.9	G149 D150 R155 Y278	V147-G149 PolarHBondContact O-N 2.9Å; V147-D150 HydrophobicContact CB-CB 4.36Å; V147-D150 VanDerWaalsContact O-CB 3.25Å; V147-D150 WeakPolarHBondContact O-CB 3.09Å; V147-D150 PolarHBondContact O-N 3.44Å; V147-D150 VanDerWaalsContact O-N 3.08Å; V147-R155 VanDerWaalsContact CG2-CZ 3.49Å; V147-Y278 VanDerWaalsContact O-CD1 3.28Å; V147-Y278 WeakPolarHBondContact O-CD1 3.19Å
148	E	97.2	Very high	96.9	Very high	74 Å²	74	46.6 Å²	46.6	35%	0.346	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	133.5	175.1	-173	176.7	170.2	0	0	111.3	Y34 D150 Y278 F280 Y281	Y34-E148 HydrophobicContact CD2-CG 4.33Å; Y34-E148 HydrophobicContact CE2-CG 4.29Å; E148-D150 VanDerWaalsContact C-N 3.34Å; E148-Y278 HydrophobicContact CB-CD2 4.06Å; E148-Y278 HydrophobicContact CB-CE1 4.4Å; E148-Y278 HydrophobicContact CB-CE2 3.68Å; E148-Y278 HydrophobicContact CG-CD2 4.1Å; E148-Y278 HydrophobicContact CG-CE2 3.81Å; E148-F280 HydrophobicContact CG-CD1 3.97Å; E148-F280 WeakPolarHBondContact OE1-CA 2.87Å; E148-Y281 PolarHBondContact OE1-N 2.91Å
149	G	96.3	Very high	96.8	Very high	27 Å²	27	46.6 Å²	46.6	28%	0.278	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-8.4	-173.6	0	0	0	0	0	114	V147 C151 Y278	V147-G149 PolarHBondContact O-N 2.9Å; G149-C151 PolarHBondContact O-N 2.95Å; G149-Y278 CarbonylContact C-O 3.59Å; G149-Y278 VanDerWaalsContact CA-O 3.25Å; G149-Y278 WeakPolarHBondContact CA-O 3.36Å; G149-Y278 PolarHBondContact N-O 3.33Å
150	D	96.1	Very high	96.8	Very high	36 Å²	36	52.3 Å²	52.3	19%	0.193	27%	0.274	C	S	.	.			trans	-83.2	101	174.3	-169.1	-9.1	0	0	0	111.4	V147 E148 F152 T153 Y278	V147-D150 HydrophobicContact CB-CB 4.36Å; V147-D150 VanDerWaalsContact O-CB 3.25Å; V147-D150 WeakPolarHBondContact O-CB 3.09Å; V147-D150 PolarHBondContact O-N 3.44Å; V147-D150 VanDerWaalsContact O-N 3.08Å; E148-D150 VanDerWaalsContact C-N 3.34Å; D150-F152 PolarHBondContact OD1-N 2.81Å; D150-F152 VanDerWaalsContact OD1-N 3.11Å; D150-T153 WeakPolarHBondContact OD1-CG2 3Å; D150-T153 PolarHBondContact OD1-N 2.77Å; D150-T153 WeakPolarHBondContact OD2-CB 3.37Å; D150-T153 VanDerWaalsContact OD2-CG2 3.31Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.36Å; D150-T153 PolarHBondContact OD2-OG1 3Å; D150-Y278 PolarHBondContact N-O 2.9Å; D150-Y278 PolarHBondContact O-N 3.43Å
151	C	93	Very high	96.8	Very high	28 Å²	28	57.7 Å²	57.7	19%	0.189	30%	0.299	C	S	.	.			trans	-86.8	-23.9	178	-58.8	0	0	0	0	113.8	G149 C276 K277	G149-C151 PolarHBondContact O-N 2.95Å; C151-C276 WeakPolarHBondContact CA-SG 3.36Å; C151-C276 HydrophobicContact CB-CB 3.72Å; C151-C276 WeakPolarHBondContact CB-SG 3.14Å; C151-C276 WeakPolarHBondContact SG-CB 2.9Å; C151-C276 CovalentContact SG-SG 2.03Å; C151-C276 PolarHBondContact SG-SG 3.18Å; C151-K277 WeakPolarHBondContact O-CG 3.42Å; C151-K277 PolarHBondContact O-NZ 3.48Å
152	F	91.1	Very high	96.6	Very high	149 Å²	149	60 Å²	60	65%	0.654	32%	0.323	S	S	*	.	S	Bend	trans	-115	-34.8	-158.1	-57.5	-66.7	0	0	0	113	D150 K277	D150-F152 PolarHBondContact OD1-N 2.81Å; D150-F152 VanDerWaalsContact OD1-N 3.11Å; F152-K277 PolarHBondContact O-NZ 2.76Å
153	T	93.1	Very high	96.5	Very high	65 Å²	65	62 Å²	62	40%	0.399	34%	0.335	S	S	.	.			trans	-76.5	170.2	-174.8	91	0	0	0	0	112.7	N98 D150 R155 K277	N98-T153 PolarHBondContact ND2-O 2.88Å; D150-T153 WeakPolarHBondContact OD1-CG2 3Å; D150-T153 PolarHBondContact OD1-N 2.77Å; D150-T153 WeakPolarHBondContact OD2-CB 3.37Å; D150-T153 VanDerWaalsContact OD2-CG2 3.31Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.36Å; D150-T153 PolarHBondContact OD2-OG1 3Å; T153-R155 WeakPolarHBondContact OG1-CB 3.27Å; T153-R155 PolarHBondContact OG1-N 2.82Å; T153-R155 VanDerWaalsContact OG1-N 3.14Å; T153-K277 WeakPolarHBondContact O-CD 2.92Å
154	I	94.4	Very high	96.4	Very high	129 Å²	129	62.7 Å²	62.7	66%	0.662	34%	0.34	S	S	*	.			trans	-96.5	7.8	174.7	61.4	168.2	0	0	0	112.5	G156 R157	I154-G156 PolarHBondContact O-N 3.2Å; I154-R157 HydrophobicContact CB-CB 4.33Å; I154-R157 WeakPolarHBondContact O-CB 3.23Å; I154-R157 PolarHBondContact O-N 2.87Å
155	R	97.1	Very high	96.2	Very high	148 Å²	148	58.9 Å²	58.9	56%	0.558	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	122.3	-179.3	178.4	178.4	171.5	171	-1.3	109.8	N98 A145 V147 T153 R157	N98-R155 WeakPolarHBondContact CB-O 3.22Å; A145-R155 WeakPolarHBondContact O-CG 3.2Å; A145-R155 PolarHBondContact O-NE 3.22Å; V147-R155 VanDerWaalsContact CG2-CZ 3.49Å; T153-R155 WeakPolarHBondContact OG1-CB 3.27Å; T153-R155 PolarHBondContact OG1-N 2.82Å; T153-R155 VanDerWaalsContact OG1-N 3.14Å; R155-R157 VanDerWaalsContact C-N 3.32Å
156	G	97.7	Very high	95.9	Very high	11 Å²	11	57.4 Å²	57.4	11%	0.113	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	1.8	-177	0	0	0	0	0	114.6	G97 N98 G142 I154	G97-G156 CarbonylContact C-O 3.14Å; G97-G156 VanDerWaalsContact C-O 3.3Å; G97-G156 WeakPolarHBondContact CA-O 3.35Å; G97-G156 PolarHBondContact N-O 3.08Å; N98-G156 PolarHBondContact N-O 2.58Å; G142-G156 CarbonylContact C-O 3.47Å; G142-G156 VanDerWaalsContact CA-O 3.26Å; G142-G156 WeakPolarHBondContact CA-O 3.33Å; G142-G156 WeakPolarHBondContact O-CA 3.27Å; I154-G156 PolarHBondContact O-N 3.2Å
157	R	97.8	Very high	95.6	Very high	50 Å²	50	60.9 Å²	60.9	19%	0.189	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-60.4	174.6	-178.4	-172.4	171	86.9	-2.1	111.2	H96 G97 N98 E99 N139 I154 R155 D164	H96-R157 VanDerWaalsContact CA-O 3.27Å; H96-R157 WeakPolarHBondContact CA-O 3.5Å; H96-R157 HydrophobicContact CB-CG 3.9Å; H96-R157 PolarHBondContact CE1-NH1 2.97Å; H96-R157 VanDerWaalsContact CE1-NH1 3.33Å; H96-R157 PolarHBondContact CE1-NH2 2.68Å; H96-R157 PolarHBondContact ND1-NH1 2.9Å; H96-R157 PolarHBondContact NE2-NH2 2.81Å; G97-R157 PolarHBondContact N-O 2.8Å; N98-R157 VanDerWaalsContact OD1-CA 3.24Å; N98-R157 WeakPolarHBondContact OD1-CA 3.34Å; E99-R157 IonicContact OE1-NH1 3.37Å; E99-R157 PolarHBondContact OE1-NH1 2.94Å; N139-R157 PolarHBondContact ND2-O 3.28Å; N139-R157 VanDerWaalsContact ND2-O 3.1Å; I154-R157 HydrophobicContact CB-CB 4.33Å; I154-R157 WeakPolarHBondContact O-CB 3.23Å; I154-R157 PolarHBondContact O-N 2.87Å; R155-R157 VanDerWaalsContact C-N 3.32Å; R157-D164 IonicContact CZ-OD2 3.56Å; R157-D164 IonicContact NE-OD2 3.61Å; R157-D164 PolarHBondContact NE-OD2 2.95Å; R157-D164 IonicContact NH2-OD2 2.78Å; R157-D164 PolarHBondContact NH2-OD2 3.02Å
158	S	97.8	Very high	95.4	Very high	36 Å²	36	58.5 Å²	58.5	25%	0.252	30%	0.301	S	S	.	.	S	Bend	trans	-69.8	166.6	178.1	-60.1	0	0	0	0	112	N139 G162 V163	N139-S158 VanDerWaalsContact ND2-C 3.26Å; N139-S158 PolarHBondContact ND2-O 2.88Å; S158-G162 WeakPolarHBondContact CB-O 3.35Å; S158-G162 PolarHBondContact OG-O 3.1Å; S158-V163 WeakPolarHBondContact CA-O 3.4Å; S158-V163 VanDerWaalsContact CB-O 3.28Å; S158-V163 WeakPolarHBondContact CB-O 3.37Å
159	N	97.8	Very high	95	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.037	29%	0.285	C	S	.	.			trans	-70	-176.6	167.8	82.7	-18.3	0	0	0	111.4	N139 H161 G162 V163 L165 E181 E183	N139-N159 PolarHBondContact ND2-N 2.99Å; N139-N159 WeakPolarHBondContact OD1-CA 3.3Å; N159-H161 VanDerWaalsContact C-N 3.26Å; N159-H161 PolarHBondContact O-N 3.43Å; N159-H161 PolarHBondContact OD1-N 3.5Å; N159-H161 VanDerWaalsContact OD1-N 3.11Å; N159-G162 PolarHBondContact O-N 2.94Å; N159-G162 PolarHBondContact OD1-N 2.87Å; N159-V163 PolarHBondContact N-O 3.39Å; N159-V163 PolarHBondContact OD1-N 3.3Å; N159-V163 PolarHBondContact OD1-O 2.84Å; N159-L165 HydrophobicContact CB-CD1 4.28Å; N159-L165 HydrophobicContact CB-CD2 3.93Å; N159-L165 HydrophobicContact CB-CG 4.05Å; N159-E181 WeakPolarHBondContact ND2-CG 3.33Å; N159-E181 PolarHBondContact ND2-OE2 3.29Å; N159-E183 PolarHBondContact ND2-OE2 3.49Å; N159-E183 VanDerWaalsContact ND2-OE2 3.11Å
160	K	97.8	Very high	94.6	Very high	121 Å²	121	55.5 Å²	55.5	53%	0.526	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.7	-179.1	178.7	58.2	177.2	-151.5	0	114.4	V64 E65 D141 G162	V64-K160 HydrophobicContact CB-CB 3.78Å; V64-K160 HydrophobicContact CB-CG 4.32Å; V64-K160 HydrophobicContact CG1-CB 3.73Å; V64-K160 HydrophobicContact CG1-CG 3.73Å; V64-K160 HydrophobicContact CG2-CB 4.34Å; E65-K160 HydrophobicContact CG-CB 4.21Å; E65-K160 HydrophobicContact CG-CD 4.08Å; E65-K160 HydrophobicContact CG-CG 3.86Å; E65-K160 VanDerWaalsContact OE1-CD 3.3Å; E65-K160 WeakPolarHBondContact OE1-CD 3.49Å; E65-K160 WeakPolarHBondContact OE1-CE 3.42Å; E65-K160 IonicContact OE1-NZ 3.55Å; E65-K160 PolarHBondContact OE1-NZ 3.22Å; D141-K160 HydrophobicContact CB-CB 4.14Å; K160-G162 PolarHBondContact O-N 3.07Å
161	H	97.3	Very high	93.8	Very high	116 Å²	116	54.6 Å²	54.6	54%	0.537	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1	179.1	-65.1	149	0	0	0	113.5	V64 N159 V163 E181	V64-H161 VanDerWaalsContact CG1-CE1 3.47Å; V64-H161 WeakPolarHBondContact CG1-CE1 3.24Å; V64-H161 VanDerWaalsContact CG1-NE2 3.27Å; V64-H161 WeakPolarHBondContact CG1-NE2 3.35Å; V64-H161 WeakPolarHBondContact CG2-ND1 3.46Å; N159-H161 VanDerWaalsContact C-N 3.26Å; N159-H161 PolarHBondContact O-N 3.43Å; N159-H161 PolarHBondContact OD1-N 3.5Å; N159-H161 VanDerWaalsContact OD1-N 3.11Å; H161-V163 HydrophobicContact CB-CG2 4.44Å; H161-E181 IonicContact CE1-OE2 3.53Å; H161-E181 IonicContact CG-OE2 3.56Å; H161-E181 IonicContact ND1-OE2 2.88Å; H161-E181 PolarHBondContact ND1-OE2 2.98Å
162	G	96.1	Very high	92.9	Very high	51 Å²	51	58.1 Å²	58.1	53%	0.526	29%	0.293	S	S	.	.	S	Bend	trans	83.7	8.7	-178.7	0	0	0	0	0	114.1	S158 N159 K160	S158-G162 WeakPolarHBondContact CB-O 3.35Å; S158-G162 PolarHBondContact OG-O 3.1Å; N159-G162 PolarHBondContact O-N 2.94Å; N159-G162 PolarHBondContact OD1-N 2.87Å; K160-G162 PolarHBondContact O-N 3.07Å
163	V	95.9	Very high	91.8	Very high	42 Å²	42	59.7 Å²	59.7	26%	0.255	30%	0.295	S	S	.	.			trans	-84.2	131.6	178.8	178.6	0	0	0	0	110.6	S158 N159 H161 L165 N168 E181	S158-V163 WeakPolarHBondContact CA-O 3.4Å; S158-V163 VanDerWaalsContact CB-O 3.28Å; S158-V163 WeakPolarHBondContact CB-O 3.37Å; N159-V163 PolarHBondContact N-O 3.39Å; N159-V163 PolarHBondContact OD1-N 3.3Å; N159-V163 PolarHBondContact OD1-O 2.84Å; H161-V163 HydrophobicContact CB-CG2 4.44Å; V163-L165 PolarHBondContact O-N 3.28Å; V163-N168 HydrophobicContact CG1-CB 4.08Å; V163-E181 HydrophobicContact CB-CG 3.82Å; V163-E181 HydrophobicContact CG1-CG 3.81Å; V163-E181 HydrophobicContact CG2-CG 4.03Å
164	D	95	Very high	90.6	Very high	28 Å²	28	61.4 Å²	61.4	15%	0.15	30%	0.299	C	S	.	.			trans	-71.9	108.2	166.3	-172.3	-30.7	0	0	0	108.3	H96 R157 N166 R167	H96-D164 IonicContact CD2-OD1 2.71Å; H96-D164 IonicContact NE2-OD1 3.97Å; H96-D164 PolarHBondContact NE2-OD1 3.41Å; H96-D164 IonicContact NE2-OD2 3.69Å; R157-D164 IonicContact CZ-OD2 3.56Å; R157-D164 IonicContact NE-OD2 3.61Å; R157-D164 PolarHBondContact NE-OD2 2.95Å; R157-D164 IonicContact NH2-OD2 2.78Å; R157-D164 PolarHBondContact NH2-OD2 3.02Å; D164-N166 PolarHBondContact O-N 3.38Å; D164-N166 WeakPolarHBondContact OD1-CA 3.27Å; D164-N166 PolarHBondContact OD1-N 2.92Å; D164-R167 HydrophobicContact CB-CB 4.34Å; D164-R167 HydrophobicContact CB-CG 4.02Å; D164-R167 PolarHBondContact O-N 3.28Å
165	L	94.9	Very high	89.1	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28.5	-178.3	-65.8	-177.9	0	0	0	112	I95 N139 N159 V163 R167 N168 Y169 E181 E183	I95-L165 HydrophobicContact CD1-CB 4.34Å; I95-L165 HydrophobicContact CG1-CB 3.8Å; N139-L165 HydrophobicContact CB-CD1 3.76Å; N159-L165 HydrophobicContact CB-CD1 4.28Å; N159-L165 HydrophobicContact CB-CD2 3.93Å; N159-L165 HydrophobicContact CB-CG 4.05Å; V163-L165 PolarHBondContact O-N 3.28Å; L165-R167 PolarHBondContact O-N 3.31Å; L165-N168 PolarHBondContact O-N 2.6Å; L165-Y169 WeakPolarHBondContact O-CD2 3.29Å; L165-Y169 VanDerWaalsContact O-CE2 3.26Å; L165-Y169 WeakPolarHBondContact O-CE2 3.49Å; L165-E181 HydrophobicContact CD2-CB 3.82Å; L165-E181 HydrophobicContact CD2-CG 4.1Å; L165-E183 HydrophobicContact CD1-CB 3.7Å; L165-E183 HydrophobicContact CD1-CG 3.98Å; L165-E183 HydrophobicContact CD2-CB 4.05Å
166	N	92.4	Very high	87.1	Confident	12 Å²	12	58.7 Å²	58.7	6%	0.064	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-82.9	19	175.4	-155.8	31.5	0	0	0	113.4	I95 D164 G254 S255 L256 Q257	I95-N166 HydrophobicContact CD1-CB 3.85Å; I95-N166 HydrophobicContact CG1-CB 4.35Å; D164-N166 PolarHBondContact O-N 3.38Å; D164-N166 WeakPolarHBondContact OD1-CA 3.27Å; D164-N166 PolarHBondContact OD1-N 2.92Å; N166-G254 CarbonylContact C-O 3.48Å; N166-S255 WeakPolarHBondContact OD1-CA 3.37Å; N166-L256 PolarHBondContact OD1-N 3.14Å; N166-Q257 PolarHBondContact ND2-OE1 3.37Å; N166-Q257 PolarHBondContact OD1-OE1 3.49Å
167	R	91.3	Very high	85.5	Confident	87 Å²	87	70.1 Å²	70.1	33%	0.328	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-127	3.5	166	-60	-64.5	-177.9	-75.4	-9	112.5	D164 L165 E253 G254	D164-R167 HydrophobicContact CB-CB 4.34Å; D164-R167 HydrophobicContact CB-CG 4.02Å; D164-R167 PolarHBondContact O-N 3.28Å; L165-R167 PolarHBondContact O-N 3.31Å; R167-E253 VanDerWaalsContact CD-O 3.27Å; R167-E253 WeakPolarHBondContact CD-O 3.4Å; R167-G254 CarbonylContact C-O 3.48Å; R167-G254 VanDerWaalsContact CA-O 3.28Å; R167-G254 WeakPolarHBondContact CA-O 3.39Å
168	N	92.4	Very high	84.3	Confident	10 Å²	10	70 Å²	70	5%	0.053	35%	0.351	C	S	.	.			trans	-103.2	0.7	-167.7	-168	-118.8	0	0	0	114	V163 L165 V178 H179 H180 E181 T184 G254	V163-N168 HydrophobicContact CG1-CB 4.08Å; L165-N168 PolarHBondContact O-N 2.6Å; N168-V178 WeakPolarHBondContact ND2-CG1 3.4Å; N168-H179 PolarHBondContact ND2-O 3.01Å; N168-H180 PolarHBondContact O-CE1 3.29Å; N168-H180 PolarHBondContact O-ND1 3.34Å; N168-H180 WeakPolarHBondContact OD1-CA 3.18Å; N168-E181 PolarHBondContact OD1-N 2.88Å; N168-T184 HydrophobicContact CB-CG2 4.4Å; N168-T184 VanDerWaalsContact OD1-CB 3.26Å; N168-T184 WeakPolarHBondContact OD1-CB 3.47Å; N168-T184 PolarHBondContact OD1-OG1 2.96Å; N168-G254 PolarHBondContact N-O 3.24Å
169	Y	90.1	Very high	83.8	Confident	2 Å²	2	75 Å²	75	1%	0.008	37%	0.37	C	S	.	.	S	Bend	trans	-82.2	155.8	177.8	-67.6	-91.4	0	0	0	112.5	I95 M138 L165 N171 T184 F187 I188 G254 L256 Y259	I95-Y169 HydrophobicContact CD1-CE2 4.1Å; M138-Y169 WeakPolarHBondContact CE-OH 3.34Å; L165-Y169 WeakPolarHBondContact O-CD2 3.29Å; L165-Y169 VanDerWaalsContact O-CE2 3.26Å; L165-Y169 WeakPolarHBondContact O-CE2 3.49Å; Y169-N171 PolarHBondContact O-N 3.25Å; Y169-T184 HydrophobicContact CD1-CG2 3.92Å; Y169-T184 HydrophobicContact CD2-CG2 4.42Å; Y169-T184 HydrophobicContact CE1-CG2 3.85Å; Y169-T184 HydrophobicContact CE2-CG2 4.36Å; Y169-T184 HydrophobicContact CG-CG2 4.21Å; Y169-F187 AromaticContact CE1-CD1 3.7Å; Y169-F187 HydrophobicContact CE1-CD1 3.7Å; Y169-F187 HydrophobicContact CE1-CE1 4.33Å; Y169-F187 HydrophobicContact CE1-CG 4.41Å; Y169-I188 HydrophobicContact CD1-CD1 4.14Å; Y169-I188 HydrophobicContact CD1-CG1 4.04Å; Y169-I188 HydrophobicContact CE1-CG1 4.11Å; Y169-G254 WeakPolarHBondContact CB-O 3.49Å; Y169-G254 PolarHBondContact N-O 3.25Å; Y169-G254 WeakPolarHBondContact O-CA 3.41Å; Y169-L256 HydrophobicContact CD2-CB 4.06Å; Y169-L256 HydrophobicContact CE1-CD1 3.9Å; Y169-L256 HydrophobicContact CE2-CB 3.69Å; Y169-L256 HydrophobicContact CE2-CD1 4.4Å; Y169-Y259 HydrophobicContact CD1-CD1 4.08Å; Y169-Y259 AromaticContact CD1-CG 3.97Å; Y169-Y259 HydrophobicContact CD1-CG 3.97Å
170	P	86.7	Confident	83.5	Confident	35 Å²	35	77.6 Å²	77.6	23%	0.227	38%	0.382	C	S	.	.			trans	-56	138	171.1	-23.2	32.9	0	0	0	111.7	I188 Y259 F263	P170-I188 HydrophobicContact CG-CD1 4.19Å; P170-Y259 HydrophobicContact CB-CD2 4.49Å; P170-Y259 HydrophobicContact CG-CD2 4.21Å; P170-Y259 HydrophobicContact CG-CE2 4.3Å; P170-F263 HydrophobicContact CB-CZ 4.31Å
171	N	80.9	Confident	83.4	Confident	18 Å²	18	72.2 Å²	72.2	10%	0.096	36%	0.359	C	S	.	.			trans	-130.7	163.8	174.5	70.9	64	0	0	0	110.8	Y169 W173 H174	Y169-N171 PolarHBondContact O-N 3.25Å; N171-W173 PolarHBondContact OD1-N 3Å; N171-H174 PolarHBondContact OD1-N 3.05Å
172	I	72.9	Confident	83.3	Confident	101 Å²	101	69 Å²	69	52%	0.518	35%	0.348	S	S	.	.	S	Bend	trans	-82.6	-17.2	-177.2	60.2	174.2	0	0	0	113.6	V262 F263	I172-V262 HydrophobicContact CG2-CG1 3.88Å; I172-F263 HydrophobicContact CG2-CE2 4.46Å; I172-F263 HydrophobicContact CG2-CZ 4.22Å
173	W	67.7	Low	83.4	Confident	182 Å²	182	66.8 Å²	66.8	69%	0.689	32%	0.324	S	S	*	.	S	Bend	trans	-83.8	-37.4	-174.3	-52.5	115.4	0	0	0	112.1	N171	N171-W173 PolarHBondContact OD1-N 3Å
174	H	68.2	Low	83.3	Confident	102 Å²	102	64.8 Å²	64.8	47%	0.472	31%	0.312	S	S	.	.			trans	-128.7	73.9	179.7	-61.8	97.8	0	0	0	110.1	N171 T176 E253	N171-H174 PolarHBondContact OD1-N 3.05Å; H174-T176 PolarHBondContact O-N 3.36Å; H174-E253 IonicContact CE1-OE1 3.66Å; H174-E253 IonicContact CE1-OE2 3.27Å; H174-E253 PolarHBondContact CE1-OE2 3.42Å; H174-E253 VanDerWaalsContact CE1-OE2 3.27Å; H174-E253 IonicContact CG-OE2 3.91Å; H174-E253 IonicContact ND1-OE1 3.8Å; H174-E253 IonicContact ND1-OE2 2.7Å; H174-E253 PolarHBondContact ND1-OE2 2.87Å
175	P	63.1	Low	83.3	Confident	114 Å²	114	65.2 Å²	65.2	74%	0.74	32%	0.317	S	S	*	.			trans	-67.2	4.1	179.8	27.8	-34.9	0	0	0	114.1
176	T	55.7	Low	83.3	Confident	106 Å²	106	65.5 Å²	65.5	65%	0.65	32%	0.32	S	S	*	.	S	Bend	trans	-56.4	150.8	170.8	41.9	0	0	0	0	111.4	H174 V178	H174-T176 PolarHBondContact O-N 3.36Å; T176-V178 VanDerWaalsContact C-N 3.34Å; T176-V178 PolarHBondContact O-N 3.02Å
177	R	63.5	Low	83.4	Confident	251 Å²	251	65 Å²	65	95%	0.947	32%	0.317	S	S	*	.			trans	-59.9	92.1	178.9	-65.9	-177.6	-176.2	-167.5	0.8	110.4	H179	R177-H179 PolarHBondContact O-N 3.46Å
178	V	72.1	Confident	83.4	Confident	46 Å²	46	61.3 Å²	61.3	28%	0.279	30%	0.304	S	S	.	.			trans	-63	127.5	162.6	-179.1	0	0	0	0	106.5	N168 T176 H180	N168-V178 WeakPolarHBondContact ND2-CG1 3.4Å; T176-V178 VanDerWaalsContact C-N 3.34Å; T176-V178 PolarHBondContact O-N 3.02Å; V178-H180 PolarHBondContact O-N 2.93Å; V178-H180 VanDerWaalsContact O-N 3.08Å
179	H	87.2	Confident	83.4	Confident	142 Å²	142	65.7 Å²	65.7	66%	0.657	33%	0.327	S	S	*	.			trans	-67.5	107.2	167.7	178.3	-91.1	0	0	0	107.4	N168 R177 E181	N168-H179 PolarHBondContact ND2-O 3.01Å; R177-H179 PolarHBondContact O-N 3.46Å; H179-E181 IonicContact CE1-OE1 2.79Å; H179-E181 IonicContact ND1-OE1 2.82Å; H179-E181 PolarHBondContact ND1-OE1 3.28Å
180	H	91.9	Very high	83.6	Confident	61 Å²	61	66.8 Å²	66.8	28%	0.282	33%	0.332	S	S	.	.			trans	-77.7	129.3	179.4	-62.8	-52.1	0	0	0	110	N168 V178 T184 S185	N168-H180 PolarHBondContact O-CE1 3.29Å; N168-H180 PolarHBondContact O-ND1 3.34Å; N168-H180 WeakPolarHBondContact OD1-CA 3.18Å; V178-H180 PolarHBondContact O-N 2.93Å; V178-H180 VanDerWaalsContact O-N 3.08Å; H180-T184 HydrophobicContact CB-CG2 4.36Å; H180-S185 VanDerWaalsContact CB-OG 3.29Å; H180-S185 WeakPolarHBondContact CB-OG 3.47Å
181	E	95.9	Very high	83.8	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.042	32%	0.321	C	S	.	.			trans	-64	156.9	173.1	-66.4	-58.1	114.4	0	0	110.5	N159 H161 V163 L165 N168 H179 E183 T184 S185	N159-E181 WeakPolarHBondContact ND2-CG 3.33Å; N159-E181 PolarHBondContact ND2-OE2 3.29Å; H161-E181 IonicContact CE1-OE2 3.53Å; H161-E181 IonicContact CG-OE2 3.56Å; H161-E181 IonicContact ND1-OE2 2.88Å; H161-E181 PolarHBondContact ND1-OE2 2.98Å; V163-E181 HydrophobicContact CB-CG 3.82Å; V163-E181 HydrophobicContact CG1-CG 3.81Å; V163-E181 HydrophobicContact CG2-CG 4.03Å; L165-E181 HydrophobicContact CD2-CB 3.82Å; L165-E181 HydrophobicContact CD2-CG 4.1Å; N168-E181 PolarHBondContact OD1-N 2.88Å; H179-E181 IonicContact CE1-OE1 2.79Å; H179-E181 IonicContact ND1-OE1 2.82Å; H179-E181 PolarHBondContact ND1-OE1 3.28Å; E181-E183 PolarHBondContact O-N 2.88Å; E181-T184 PolarHBondContact O-N 3.18Å; E181-S185 WeakPolarHBondContact O-CB 3.33Å; E181-S185 PolarHBondContact O-N 2.8Å; E181-S185 PolarHBondContact O-OG 3.42Å
182	P	96.2	Very high	84.1	Confident	48 Å²	48	70.2 Å²	70.2	31%	0.312	34%	0.342	S	S	.	.	H	α-helix	trans	-53.4	-40.4	177.6	-28.1	37.1	0	0	0	113	K62 V64 S185 A186	K62-P182 WeakPolarHBondContact O-CB 3.13Å; V64-P182 HydrophobicContact CG2-CG 3.87Å; P182-S185 PolarHBondContact O-N 3.11Å; P182-A186 VanDerWaalsContact O-CB 3.24Å; P182-A186 WeakPolarHBondContact O-CB 3.06Å; P182-A186 PolarHBondContact O-N 3.38Å
183	E	97.7	Very high	84.9	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.019	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-47.5	177.9	-60.1	80.3	-177.7	0	0	112	S63 V64 I69 N159 L165 E181 A186 F187	S63-E183 VanDerWaalsContact CA-OE1 3.28Å; S63-E183 WeakPolarHBondContact CA-OE1 3.36Å; S63-E183 WeakPolarHBondContact CB-OE1 3.41Å; V64-E183 PolarHBondContact N-OE1 2.97Å; I69-E183 HydrophobicContact CD1-CB 3.93Å; I69-E183 HydrophobicContact CD1-CG 3.93Å; N159-E183 PolarHBondContact ND2-OE2 3.49Å; N159-E183 VanDerWaalsContact ND2-OE2 3.11Å; L165-E183 HydrophobicContact CD1-CB 3.7Å; L165-E183 HydrophobicContact CD1-CG 3.98Å; L165-E183 HydrophobicContact CD2-CB 4.05Å; E181-E183 PolarHBondContact O-N 2.88Å; E183-A186 WeakPolarHBondContact O-CB 3.16Å; E183-A186 PolarHBondContact O-N 2.78Å; E183-F187 PolarHBondContact O-N 3.19Å
184	T	93.7	Very high	85.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-40.9	178.2	-63	0	0	0	0	111.3	N168 Y169 H180 E181 F187 I188	N168-T184 HydrophobicContact CB-CG2 4.4Å; N168-T184 VanDerWaalsContact OD1-CB 3.26Å; N168-T184 WeakPolarHBondContact OD1-CB 3.47Å; N168-T184 PolarHBondContact OD1-OG1 2.96Å; Y169-T184 HydrophobicContact CD1-CG2 3.92Å; Y169-T184 HydrophobicContact CD2-CG2 4.42Å; Y169-T184 HydrophobicContact CE1-CG2 3.85Å; Y169-T184 HydrophobicContact CE2-CG2 4.36Å; Y169-T184 HydrophobicContact CG-CG2 4.21Å; H180-T184 HydrophobicContact CB-CG2 4.36Å; E181-T184 PolarHBondContact O-N 3.18Å; T184-F187 PolarHBondContact O-N 2.67Å; T184-I188 HydrophobicContact CG2-CD1 3.72Å; T184-I188 HydrophobicContact CG2-CG1 4.36Å; T184-I188 WeakPolarHBondContact O-CB 3.43Å; T184-I188 VanDerWaalsContact O-CG1 3.28Å; T184-I188 WeakPolarHBondContact O-CG1 3.28Å; T184-I188 PolarHBondContact O-N 2.96Å
185	S	94.6	Very high	86.6	Confident	37 Å²	37	59.1 Å²	59.1	26%	0.259	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-42.3	176.6	-62.6	0	0	0	0	111.9	H180 E181 P182 F187 I188 N189	H180-S185 VanDerWaalsContact CB-OG 3.29Å; H180-S185 WeakPolarHBondContact CB-OG 3.47Å; E181-S185 WeakPolarHBondContact O-CB 3.33Å; E181-S185 PolarHBondContact O-N 2.8Å; E181-S185 PolarHBondContact O-OG 3.42Å; P182-S185 PolarHBondContact O-N 3.11Å; S185-F187 VanDerWaalsContact C-N 3.34Å; S185-F187 PolarHBondContact O-N 2.65Å; S185-I188 PolarHBondContact O-N 3.27Å; S185-N189 VanDerWaalsContact O-CB 3.29Å; S185-N189 WeakPolarHBondContact O-CB 3.45Å; S185-N189 PolarHBondContact O-N 3.32Å; S185-N189 PolarHBondContact O-ND2 3.12Å; S185-N189 VanDerWaalsContact O-ND2 3.12Å
186	A	95.5	Very high	87.7	Confident	9 Å²	9	54.1 Å²	54.1	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-56.5	-48.9	174.1	0	0	0	0	0	110.7	I60 I69 P182 E183 W190	I60-A186 HydrophobicContact CD1-CB 4.42Å; I60-A186 HydrophobicContact CG1-CB 4.45Å; I60-A186 WeakPolarHBondContact O-CB 3.02Å; I69-A186 HydrophobicContact CD1-CB 3.93Å; P182-A186 VanDerWaalsContact O-CB 3.24Å; P182-A186 WeakPolarHBondContact O-CB 3.06Å; P182-A186 PolarHBondContact O-N 3.38Å; E183-A186 WeakPolarHBondContact O-CB 3.16Å; E183-A186 PolarHBondContact O-N 2.78Å; A186-W190 WeakPolarHBondContact O-CB 2.61Å; A186-W190 PolarHBondContact O-N 3.03Å
187	F	93.8	Very high	88.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-49.8	177.6	-173.8	-88.8	0	0	0	112.6	I60 L90 T92 I135 M138 Y169 E183 T184 S185 N189 W190 V191 L256 Y259 M260	I60-F187 HydrophobicContact CD1-CB 4.24Å; I60-F187 HydrophobicContact CD1-CD2 4.29Å; L90-F187 HydrophobicContact CD2-CE2 3.9Å; L90-F187 HydrophobicContact CD2-CZ 3.81Å; T92-F187 HydrophobicContact CG2-CE2 3.88Å; I135-F187 HydrophobicContact CD1-CD2 3.99Å; I135-F187 HydrophobicContact CD1-CE2 4.04Å; M138-F187 HydrophobicContact CE-CB 4.06Å; M138-F187 HydrophobicContact CE-CD2 3.48Å; M138-F187 VanDerWaalsContact CE-CD2 3.48Å; M138-F187 HydrophobicContact CE-CE2 4.04Å; M138-F187 HydrophobicContact CE-CG 3.79Å; Y169-F187 AromaticContact CE1-CD1 3.7Å; Y169-F187 HydrophobicContact CE1-CD1 3.7Å; Y169-F187 HydrophobicContact CE1-CE1 4.33Å; Y169-F187 HydrophobicContact CE1-CG 4.41Å; E183-F187 PolarHBondContact O-N 3.19Å; T184-F187 PolarHBondContact O-N 2.67Å; S185-F187 VanDerWaalsContact C-N 3.34Å; S185-F187 PolarHBondContact O-N 2.65Å; F187-N189 VanDerWaalsContact C-N 3.31Å; F187-N189 PolarHBondContact O-N 2.96Å; F187-W190 HydrophobicContact CD2-CE3 4.23Å; F187-W190 HydrophobicContact CD2-CZ3 4.37Å; F187-W190 HydrophobicContact CE2-CE3 4.21Å; F187-W190 AromaticContact CE2-CZ3 3.92Å; F187-W190 HydrophobicContact CE2-CZ3 3.92Å; F187-W190 PolarHBondContact O-N 3.22Å; F187-V191 HydrophobicContact CD1-CB 4.31Å; F187-V191 HydrophobicContact CD1-CG1 3.98Å; F187-V191 HydrophobicContact CE1-CB 3.92Å; F187-V191 HydrophobicContact CE1-CG1 3.75Å; F187-V191 HydrophobicContact CE1-CG2 4.13Å; F187-V191 HydrophobicContact CZ-CB 4.17Å; F187-V191 HydrophobicContact CZ-CG1 4.49Å; F187-V191 HydrophobicContact CZ-CG2 4.09Å; F187-V191 WeakPolarHBondContact O-CB 3.32Å; F187-V191 VanDerWaalsContact O-CG1 3.27Å; F187-V191 WeakPolarHBondContact O-CG1 3.42Å; F187-V191 PolarHBondContact O-N 2.89Å; F187-L256 HydrophobicContact CD1-CD1 3.87Å; F187-L256 HydrophobicContact CE1-CD1 3.16Å; F187-L256 HydrophobicContact CE2-CD1 4.4Å; F187-L256 HydrophobicContact CZ-CD1 3.49Å; F187-L256 VanDerWaalsContact CZ-CD1 3.49Å; F187-L256 HydrophobicContact CZ-CD2 4.49Å; F187-Y259 HydrophobicContact CE1-CE1 4.49Å; F187-M260 HydrophobicContact CE1-SD 3.93Å; F187-M260 HydrophobicContact CZ-SD 4.2Å
188	I	91.6	Very high	89.7	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-43.5	-179.3	-73.5	170.9	0	0	0	111.3	Y169 P170 T184 S185 K192 Y259	Y169-I188 HydrophobicContact CD1-CD1 4.14Å; Y169-I188 HydrophobicContact CD1-CG1 4.04Å; Y169-I188 HydrophobicContact CE1-CG1 4.11Å; P170-I188 HydrophobicContact CG-CD1 4.19Å; T184-I188 HydrophobicContact CG2-CD1 3.72Å; T184-I188 HydrophobicContact CG2-CG1 4.36Å; T184-I188 WeakPolarHBondContact O-CB 3.43Å; T184-I188 VanDerWaalsContact O-CG1 3.28Å; T184-I188 WeakPolarHBondContact O-CG1 3.28Å; T184-I188 PolarHBondContact O-N 2.96Å; S185-I188 PolarHBondContact O-N 3.27Å; I188-K192 HydrophobicContact CG2-CD 4.44Å; I188-K192 WeakPolarHBondContact O-CD 3.46Å; I188-K192 VanDerWaalsContact O-CG 3.24Å; I188-K192 WeakPolarHBondContact O-CG 3.32Å; I188-K192 PolarHBondContact O-N 2.91Å; I188-Y259 HydrophobicContact CG1-CE1 4.4Å; I188-Y259 HydrophobicContact CG1-CE2 4.38Å
189	N	93.1	Very high	89.8	Confident	102 Å²	102	35.5 Å²	35.5	55%	0.545	19%	0.188	S	C	.	.	H	α-helix	trans	-68.3	-41.6	-179.2	-71.6	-27.3	0	0	0	111.5	S185 F187	S185-N189 VanDerWaalsContact O-CB 3.29Å; S185-N189 WeakPolarHBondContact O-CB 3.45Å; S185-N189 PolarHBondContact O-N 3.32Å; S185-N189 PolarHBondContact O-ND2 3.12Å; S185-N189 VanDerWaalsContact O-ND2 3.12Å; F187-N189 VanDerWaalsContact C-N 3.31Å; F187-N189 PolarHBondContact O-N 2.96Å
190	W	94.1	Very high	88.5	Confident	25 Å²	25	29.9 Å²	29.9	10%	0.095	16%	0.161	C	C	.	.	H	α-helix	trans	-69.9	-49.4	178.2	169.7	70.3	0	0	0	113	F58 I60 L90 V133 I135 A186 F187 K192 T193 V194	F58-W190 AromaticContact CE2-CD1 3.86Å; F58-W190 AromaticContact CE2-CE2 3.74Å; F58-W190 HydrophobicContact CE2-CZ2 4.17Å; F58-W190 AromaticContact CE2-NE1 3.2Å; F58-W190 HydrophobicContact CZ-CZ2 4.09Å; F58-W190 AromaticContact CZ-NE1 3.77Å; I60-W190 HydrophobicContact CB-CB 3.79Å; I60-W190 HydrophobicContact CB-CD2 4.37Å; I60-W190 HydrophobicContact CB-CG 3.88Å; I60-W190 HydrophobicContact CG2-CB 3.88Å; I60-W190 HydrophobicContact CG2-CD2 3.56Å; I60-W190 HydrophobicContact CG2-CE3 4.17Å; I60-W190 HydrophobicContact CG2-CG 3.36Å; L90-W190 HydrophobicContact CD1-CH2 3.75Å; L90-W190 HydrophobicContact CD1-CZ3 4.06Å; L90-W190 HydrophobicContact CD2-CH2 4.07Å; L90-W190 HydrophobicContact CD2-CZ3 3.82Å; V133-W190 HydrophobicContact CB-CH2 4.43Å; V133-W190 HydrophobicContact CG1-CH2 3.76Å; V133-W190 HydrophobicContact CG1-CZ2 3.68Å; I135-W190 HydrophobicContact CD1-CE3 3.88Å; I135-W190 HydrophobicContact CD1-CH2 4.12Å; I135-W190 HydrophobicContact CD1-CZ3 3.55Å; A186-W190 WeakPolarHBondContact O-CB 2.61Å; A186-W190 PolarHBondContact O-N 3.03Å; F187-W190 HydrophobicContact CD2-CE3 4.23Å; F187-W190 HydrophobicContact CD2-CZ3 4.37Å; F187-W190 HydrophobicContact CE2-CE3 4.21Å; F187-W190 AromaticContact CE2-CZ3 3.92Å; F187-W190 HydrophobicContact CE2-CZ3 3.92Å; F187-W190 PolarHBondContact O-N 3.22Å; W190-K192 PolarHBondContact O-N 3.07Å; W190-K192 VanDerWaalsContact O-N 3.11Å; W190-T193 PolarHBondContact O-N 3.36Å; W190-T193 PolarHBondContact O-OG1 2.67Å; W190-V194 HydrophobicContact CZ2-CB 4.46Å; W190-V194 HydrophobicContact CZ2-CG2 3.87Å
191	V	90.7	Very high	86.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.2	-17	-174.8	77.4	0	0	0	0	112.8	F187 T193 V194 I196 Y259 M260 K264	F187-V191 HydrophobicContact CD1-CB 4.31Å; F187-V191 HydrophobicContact CD1-CG1 3.98Å; F187-V191 HydrophobicContact CE1-CB 3.92Å; F187-V191 HydrophobicContact CE1-CG1 3.75Å; F187-V191 HydrophobicContact CE1-CG2 4.13Å; F187-V191 HydrophobicContact CZ-CB 4.17Å; F187-V191 HydrophobicContact CZ-CG1 4.49Å; F187-V191 HydrophobicContact CZ-CG2 4.09Å; F187-V191 WeakPolarHBondContact O-CB 3.32Å; F187-V191 VanDerWaalsContact O-CG1 3.27Å; F187-V191 WeakPolarHBondContact O-CG1 3.42Å; F187-V191 PolarHBondContact O-N 2.89Å; V191-T193 PolarHBondContact O-N 2.91Å; V191-V194 PolarHBondContact O-N 2.71Å; V191-I196 HydrophobicContact CG2-CG1 3.79Å; V191-Y259 HydrophobicContact CG1-CE1 3.67Å; V191-M260 HydrophobicContact CG1-SD 4.35Å; V191-M260 HydrophobicContact CG2-CE 3.56Å; V191-M260 HydrophobicContact CG2-SD 3.72Å; V191-K264 WeakPolarHBondContact O-CE 3.26Å
192	K	87.9	Confident	83.7	Confident	124 Å²	124	28.6 Å²	28.6	54%	0.539	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.7	168.4	-79.5	170.2	-175.9	172.9	0	112.7	I188 W190	I188-K192 HydrophobicContact CG2-CD 4.44Å; I188-K192 WeakPolarHBondContact O-CD 3.46Å; I188-K192 VanDerWaalsContact O-CG 3.24Å; I188-K192 WeakPolarHBondContact O-CG 3.32Å; I188-K192 PolarHBondContact O-N 2.91Å; W190-K192 PolarHBondContact O-N 3.07Å; W190-K192 VanDerWaalsContact O-N 3.11Å
193	T	88.1	Confident	81.2	Confident	108 Å²	108	28.3 Å²	28.3	66%	0.663	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.2	-177.4	75.7	0	0	0	0	113.1	W190 V191	W190-T193 PolarHBondContact O-N 3.36Å; W190-T193 PolarHBondContact O-OG1 2.67Å; V191-T193 PolarHBondContact O-N 2.91Å
194	V	87.2	Confident	79.3	Confident	13 Å²	13	28.9 Å²	28.9	8%	0.079	16%	0.164	C	C	.	.	S	Bend	trans	-124.8	120.3	-177.9	-168.3	0	0	0	0	110.4	N88 W190 V191 I196	N88-V194 HydrophobicContact CB-CG1 4.15Å; W190-V194 HydrophobicContact CZ2-CB 4.46Å; W190-V194 HydrophobicContact CZ2-CG2 3.87Å; V191-V194 PolarHBondContact O-N 2.71Å; V194-I196 HydrophobicContact CB-CD1 4.07Å; V194-I196 HydrophobicContact CG1-CD1 3.58Å; V194-I196 HydrophobicContact CG1-CG1 4.5Å; V194-I196 PolarHBondContact O-N 2.77Å
195	P	85.4	Confident	78.1	Confident	31 Å²	31	30.8 Å²	30.8	20%	0.201	18%	0.176	C	C	.	.			trans	-75.7	89.4	176.4	31.6	-34.3	0	0	0	110.1	N88 N335	N88-P195 PolarHBondContact ND2-O 3.09Å; P195-N335 HydrophobicContact CB-CB 4.42Å; P195-N335 WeakPolarHBondContact CG-ND2 3.06Å
196	I	85.9	Confident	77.6	Confident	10 Å²	10	29 Å²	29	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.5	177.8	-56.7	-53.8	0	0	0	110.5	N88 L90 V191 V194 L198 D199 M260 A266	N88-I196 HydrophobicContact CB-CD1 3.97Å; L90-I196 HydrophobicContact CB-CD1 4.04Å; L90-I196 HydrophobicContact CB-CG1 4.42Å; L90-I196 HydrophobicContact CB-CG2 3.87Å; L90-I196 HydrophobicContact CD2-CD1 4.33Å; L90-I196 HydrophobicContact CD2-CG1 4.21Å; V191-I196 HydrophobicContact CG2-CG1 3.79Å; V194-I196 HydrophobicContact CB-CD1 4.07Å; V194-I196 HydrophobicContact CG1-CD1 3.58Å; V194-I196 HydrophobicContact CG1-CG1 4.5Å; V194-I196 PolarHBondContact O-N 2.77Å; I196-L198 VanDerWaalsContact CG2-O 3.22Å; I196-L198 WeakPolarHBondContact CG2-O 3.18Å; I196-D199 HydrophobicContact CG2-CB 4.3Å; I196-M260 HydrophobicContact CB-CE 3.77Å; I196-M260 HydrophobicContact CG1-CE 3.98Å; I196-M260 HydrophobicContact CG2-CE 3.89Å; I196-A266 HydrophobicContact CB-CB 4.36Å; I196-A266 HydrophobicContact CG2-CB 4.08Å; I196-A266 WeakPolarHBondContact O-CB 3.46Å
197	V	81.5	Confident	77.1	Confident	10 Å²	10	31.7 Å²	31.7	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-27.6	-179.3	-176.5	0	0	0	0	112.2	P87 N88 T267 Y341 I343	P87-V197 HydrophobicContact CB-CB 4.34Å; P87-V197 HydrophobicContact CB-CG2 3.97Å; N88-V197 PolarHBondContact O-N 2.83Å; V197-T267 PolarHBondContact O-N 3.28Å; V197-Y341 HydrophobicContact CB-CG 4.38Å; V197-Y341 HydrophobicContact CG1-CD1 4.4Å; V197-Y341 HydrophobicContact CG1-CG 4.09Å; V197-Y341 HydrophobicContact CG2-CD1 3.87Å; V197-Y341 HydrophobicContact CG2-CD2 3.38Å; V197-Y341 HydrophobicContact CG2-CE1 4.39Å; V197-Y341 HydrophobicContact CG2-CE2 3.94Å; V197-Y341 HydrophobicContact CG2-CG 3.34Å; V197-I343 HydrophobicContact CG1-CD1 4.43Å; V197-I343 HydrophobicContact CG1-CG1 4.17Å
198	L	80.7	Confident	77	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	134.3	-176.3	-174.7	65.2	0	0	0	110.4	V89 L90 I196 I213 T267 F269 F298 A302 I343	V89-L198 HydrophobicContact CG1-CB 4.49Å; V89-L198 HydrophobicContact CG1-CD2 4.34Å; L90-L198 PolarHBondContact N-O 3.02Å; I196-L198 VanDerWaalsContact CG2-O 3.22Å; I196-L198 WeakPolarHBondContact CG2-O 3.18Å; L198-I213 HydrophobicContact CD1-CD1 4.35Å; L198-T267 CarbonylContact C-O 3.53Å; L198-T267 VanDerWaalsContact CA-O 3.32Å; L198-T267 WeakPolarHBondContact CA-O 3.47Å; L198-T267 HydrophobicContact CD1-CG2 4.46Å; L198-T267 WeakPolarHBondContact CD1-O 3.15Å; L198-F269 HydrophobicContact CD1-CD2 3.94Å; L198-F269 HydrophobicContact CD1-CE2 3.66Å; L198-F298 HydrophobicContact CD1-CZ 4.24Å; L198-F298 HydrophobicContact CD2-CD1 4.23Å; L198-F298 HydrophobicContact CD2-CE1 3.79Å; L198-F298 HydrophobicContact CD2-CZ 4.18Å; L198-F298 HydrophobicContact CG-CE1 4.12Å; L198-F298 HydrophobicContact CG-CZ 4.21Å; L198-A302 HydrophobicContact CB-CB 4.29Å; L198-A302 HydrophobicContact CD2-CB 3.95Å; L198-I343 HydrophobicContact CB-CD1 4.19Å; L198-I343 HydrophobicContact CD1-CD1 3.77Å; L198-I343 HydrophobicContact CG-CD1 4.41Å
199	D	73.5	Confident	76.9	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	-151.4	-173.9	-155.7	-31.9	0	0	0	112.7	I196 M260 A266 T267 A268 F269	I196-D199 HydrophobicContact CG2-CB 4.3Å; D199-M260 HydrophobicContact CB-CB 4.07Å; D199-M260 HydrophobicContact CB-CE 4.17Å; D199-M260 HydrophobicContact CB-CG 4.28Å; D199-M260 WeakPolarHBondContact OD2-CE 3.27Å; D199-M260 WeakPolarHBondContact OD2-CG 3.37Å; D199-M260 VanDerWaalsContact OD2-SD 3.37Å; D199-A266 HydrophobicContact CB-CB 4.37Å; D199-T267 PolarHBondContact N-O 2.89Å; D199-A268 HydrophobicContact CB-CB 4.05Å; D199-A268 CarbonylContact O-C 3.31Å; D199-A268 VanDerWaalsContact O-C 3.23Å; D199-A268 WeakPolarHBondContact O-CA 3.3Å; D199-F269 PolarHBondContact O-N 3.35Å
200	F	59.4	Low	76.7	Confident	24 Å²	24	29.3 Å²	29.3	11%	0.105	16%	0.164	C	C	.	.			trans	-116.3	134	-173.2	-62.5	-31.3	0	0	0	118.1	F91 T92 Q257 A268 F269 L271 F298	F91-F200 HydrophobicContact CB-CZ 4.33Å; F91-F200 HydrophobicContact CD1-CE1 4.4Å; F91-F200 AromaticContact CD1-CZ 3.98Å; F91-F200 HydrophobicContact CD1-CZ 3.98Å; F91-F200 HydrophobicContact CG-CZ 4.47Å; T92-F200 WeakPolarHBondContact O-CE2 3.26Å; F200-Q257 VanDerWaalsContact C-CG 3.43Å; F200-Q257 WeakPolarHBondContact O-CA 3.43Å; F200-Q257 WeakPolarHBondContact O-CB 3.29Å; F200-Q257 WeakPolarHBondContact O-CG 3.38Å; F200-Q257 PolarHBondContact O-NE2 2.8Å; F200-A268 VanDerWaalsContact C-CA 3.46Å; F200-A268 VanDerWaalsContact CA-C 3.49Å; F200-A268 VanDerWaalsContact N-CA 3.31Å; F200-A268 VanDerWaalsContact N-CB 3.34Å; F200-A268 WeakPolarHBondContact O-CB 3.28Å; F200-F269 VanDerWaalsContact C-C 3.49Å; F200-F269 VanDerWaalsContact CA-CA 3.47Å; F200-F269 WeakPolarHBondContact CA-O 3.41Å; F200-F269 WeakPolarHBondContact CB-O 3.08Å; F200-F269 HydrophobicContact CD1-CB 4.11Å; F200-F269 WeakPolarHBondContact CD1-O 3.5Å; F200-F269 WeakPolarHBondContact CE1-O 3.23Å; F200-F269 WeakPolarHBondContact CG-O 3.27Å; F200-L271 HydrophobicContact CE1-CD1 4.11Å; F200-L271 HydrophobicContact CE1-CG 4.42Å; F200-L271 HydrophobicContact CZ-CD1 4.47Å; F200-F298 HydrophobicContact CE1-CE1 4.33Å; F200-F298 HydrophobicContact CE1-CZ 4.32Å
201	Y	51.6	Low	76.6	Confident	26 Å²	26	34.3 Å²	34.3	10%	0.102	18%	0.183	C	C	.	.			trans	-96.6	150.2	-139.5	-178	-119.2	0	0	0	127	A203 F210 Q257 A268 T270	Y201-A203 VanDerWaalsContact CZ-CA 3.47Å; Y201-A203 VanDerWaalsContact OH-CA 3.22Å; Y201-A203 WeakPolarHBondContact OH-CA 3.49Å; Y201-A203 WeakPolarHBondContact OH-CB 3.19Å; Y201-F210 AromaticContact CD2-CD1 3.31Å; Y201-F210 HydrophobicContact CD2-CD1 3.31Å; Y201-F210 AromaticContact CD2-CE1 3.49Å; Y201-F210 HydrophobicContact CD2-CE1 3.49Å; Y201-F210 VanDerWaalsContact CD2-CE1 3.49Å; Y201-F210 HydrophobicContact CD2-CG 4.03Å; Y201-F210 HydrophobicContact CD2-CZ 4.36Å; Y201-F210 HydrophobicContact CE2-CB 3.92Å; Y201-F210 AromaticContact CE2-CD1 3.33Å; Y201-F210 HydrophobicContact CE2-CD1 3.33Å; Y201-F210 HydrophobicContact CE2-CD2 4.12Å; Y201-F210 AromaticContact CE2-CE1 3.76Å; Y201-F210 HydrophobicContact CE2-CE1 3.76Å; Y201-F210 AromaticContact CE2-CG 3.54Å; Y201-F210 HydrophobicContact CE2-CG 3.54Å; Y201-F210 HydrophobicContact CE2-CZ 4.35Å; Y201-F210 HydrophobicContact CG-CD1 4.5Å; Y201-Q257 VanDerWaalsContact N-CG 3.3Å; Y201-Q257 WeakPolarHBondContact O-CB 3.39Å; Y201-Q257 WeakPolarHBondContact O-CG 3.18Å; Y201-A268 WeakPolarHBondContact CA-O 3.35Å; Y201-A268 VanDerWaalsContact CB-C 3.44Å; Y201-A268 WeakPolarHBondContact CB-O 3.45Å; Y201-A268 WeakPolarHBondContact CD2-O 3.48Å; Y201-A268 PolarHBondContact N-O 2.91Å; Y201-T270 VanDerWaalsContact N-N 3.12Å
202	S	35.2	Very low	76.8	Confident	17 Å²	17	36.6 Å²	36.6	12%	0.119	20%	0.195	C	C	.	.			trans	-150.2	167.5	139.7	-169.3	0	0	0	0	112.9	D258	S202-D258 WeakPolarHBondContact CB-OD1 3.38Å
203	A	43.9	Very low	77	Confident	43 Å²	43	30.8 Å²	30.8	36%	0.355	17%	0.17	S	C	.	.			trans	-62.7	144.9	-162.3	0	0	0	0	0	117.6	Y201 N245 A247	Y201-A203 VanDerWaalsContact CZ-CA 3.47Å; Y201-A203 VanDerWaalsContact OH-CA 3.22Å; Y201-A203 WeakPolarHBondContact OH-CA 3.49Å; Y201-A203 WeakPolarHBondContact OH-CB 3.19Å; A203-N245 WeakPolarHBondContact CB-ND2 3.49Å; A203-N245 WeakPolarHBondContact CB-OD1 3.38Å; A203-A247 HydrophobicContact CB-CB 4.39Å
204	A	59	Low	77.3	Confident	15 Å²	15	26.7 Å²	26.7	12%	0.124	15%	0.147	C	C	.	.			trans	-162.6	156.1	-158.6	0	0	0	0	0	113.5	D206 D207 F210 Y261	A204-D206 PolarHBondContact O-N 3.32Å; A204-D207 PolarHBondContact O-N 3.3Å; A204-F210 HydrophobicContact CB-CD2 4.12Å; A204-F210 HydrophobicContact CB-CE2 3.42Å; A204-F210 VanDerWaalsContact CB-CE2 3.42Å; A204-F210 HydrophobicContact CB-CZ 3.96Å; A204-Y261 HydrophobicContact CB-CD1 3.79Å; A204-Y261 HydrophobicContact CB-CE1 3.13Å; A204-Y261 HydrophobicContact CB-CE2 4.04Å; A204-Y261 HydrophobicContact CB-CG 4.46Å; A204-Y261 WeakPolarHBondContact CB-OH 3.48Å
205	P	68	Low	77.6	Confident	41 Å²	41	27.7 Å²	27.7	27%	0.266	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-10.6	176.8	-31.3	38	0	0	0	117.4	R328 E329 I330	P205-R328 PolarHBondContact O-NH1 3.48Å; P205-R328 VanDerWaalsContact O-NH1 3.16Å; P205-E329 HydrophobicContact CB-CB 4Å; P205-E329 HydrophobicContact CB-CG 3.98Å; P205-E329 HydrophobicContact CG-CB 3.69Å; P205-E329 HydrophobicContact CG-CG 3.9Å; P205-I330 HydrophobicContact CG-CD1 4.43Å; P205-I330 HydrophobicContact CG-CG1 3.94Å
206	D	82.9	Confident	78	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	30.3	173.9	-51.1	-88	0	0	0	112.9	A204 D208 V209 F210 Y261 R328 R342	A204-D206 PolarHBondContact O-N 3.32Å; D206-D208 VanDerWaalsContact C-N 3.26Å; D206-D208 PolarHBondContact O-N 3.44Å; D206-D208 VanDerWaalsContact O-N 3.11Å; D206-V209 HydrophobicContact CB-CB 4.2Å; D206-V209 HydrophobicContact CB-CG2 4.35Å; D206-V209 WeakPolarHBondContact O-CA 3.19Å; D206-V209 WeakPolarHBondContact O-CB 3.19Å; D206-V209 PolarHBondContact O-N 3.43Å; D206-F210 HydrophobicContact CB-CD2 4.01Å; D206-F210 HydrophobicContact CB-CE2 3.83Å; D206-F210 WeakPolarHBondContact O-CD2 3.34Å; D206-F210 PolarHBondContact O-N 3.04Å; D206-Y261 PolarHBondContact OD2-OH 2.99Å; D206-R328 VanDerWaalsContact OD1-CD 3.27Å; D206-R328 WeakPolarHBondContact OD1-CD 3.28Å; D206-R328 IonicContact OD1-CZ 3.99Å; D206-R328 IonicContact OD1-NE 2.93Å; D206-R342 IonicContact OD1-NE 2.63Å; D206-R342 IonicContact OD1-NH2 3.61Å; D206-R342 IonicContact OD2-CZ 3.83Å; D206-R342 IonicContact OD2-NH2 2.6Å; D206-R342 PolarHBondContact OD2-NH2 3.18Å
207	D	85.8	Confident	78.4	Confident	64 Å²	64	27.9 Å²	27.9	34%	0.342	15%	0.15	S	C	.	.	H	α-helix	trans	-49.4	-40.6	-171.5	-177	62.4	0	0	0	114.4	A204 V209 F210 R211	A204-D207 PolarHBondContact O-N 3.3Å; D207-V209 PolarHBondContact O-N 3.08Å; D207-F210 PolarHBondContact O-N 2.84Å; D207-R211 WeakPolarHBondContact O-CB 3.34Å; D207-R211 VanDerWaalsContact O-CG 3.28Å; D207-R211 WeakPolarHBondContact O-CG 3.24Å; D207-R211 PolarHBondContact O-N 3.33Å; D207-R211 WeakPolarHBondContact OD2-CD 3.44Å
208	D	91	Very high	79	Confident	61 Å²	61	27.5 Å²	27.5	33%	0.326	15%	0.147	S	C	.	.	H	α-helix	trans	-59.7	-42.7	175.4	65.3	-34.9	0	0	0	112.8	D206 N212 R328 L345	D206-D208 VanDerWaalsContact C-N 3.26Å; D206-D208 PolarHBondContact O-N 3.44Å; D206-D208 VanDerWaalsContact O-N 3.11Å; D208-N212 VanDerWaalsContact O-CB 3.23Å; D208-N212 WeakPolarHBondContact O-CB 3.29Å; D208-N212 PolarHBondContact O-N 3.48Å; D208-R328 IonicContact OD1-CZ 3.59Å; D208-R328 IonicContact OD1-NH1 3.14Å; D208-R328 PolarHBondContact OD1-NH1 3.48Å; D208-R328 IonicContact OD1-NH2 3.09Å; D208-R328 PolarHBondContact OD1-NH2 3.22Å; D208-R328 IonicContact OD2-CZ 3.97Å; D208-R328 IonicContact OD2-NH1 3.75Å; D208-R328 IonicContact OD2-NH2 2.99Å; D208-R328 PolarHBondContact OD2-NH2 3.41Å; D208-L345 HydrophobicContact CB-CD1 4.18Å
209	V	90.9	Very high	79.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-46.2	174.8	178.1	0	0	0	0	109.5	D206 D207 N212 I213 I343 L345	D206-V209 HydrophobicContact CB-CB 4.2Å; D206-V209 HydrophobicContact CB-CG2 4.35Å; D206-V209 WeakPolarHBondContact O-CA 3.19Å; D206-V209 WeakPolarHBondContact O-CB 3.19Å; D206-V209 PolarHBondContact O-N 3.43Å; D207-V209 PolarHBondContact O-N 3.08Å; V209-N212 PolarHBondContact O-N 3.27Å; V209-I213 HydrophobicContact CG1-CD1 3.69Å; V209-I213 HydrophobicContact CG1-CG1 4.42Å; V209-I213 VanDerWaalsContact O-CG1 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 3.03Å; V209-I343 HydrophobicContact CG1-CB 4.18Å; V209-I343 HydrophobicContact CG1-CG2 3.73Å; V209-L345 HydrophobicContact CG2-CG 4.18Å
210	F	89.3	Confident	80.7	Confident	3 Å²	3	35.3 Å²	35.3	1%	0.013	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-52.6	178.6	-74.8	-79.4	0	0	0	112	Y201 A204 D206 D207 N212 I213 A214 Y261 T267 A268 F269	Y201-F210 AromaticContact CD2-CD1 3.31Å; Y201-F210 HydrophobicContact CD2-CD1 3.31Å; Y201-F210 AromaticContact CD2-CE1 3.49Å; Y201-F210 HydrophobicContact CD2-CE1 3.49Å; Y201-F210 VanDerWaalsContact CD2-CE1 3.49Å; Y201-F210 HydrophobicContact CD2-CG 4.03Å; Y201-F210 HydrophobicContact CD2-CZ 4.36Å; Y201-F210 HydrophobicContact CE2-CB 3.92Å; Y201-F210 AromaticContact CE2-CD1 3.33Å; Y201-F210 HydrophobicContact CE2-CD1 3.33Å; Y201-F210 HydrophobicContact CE2-CD2 4.12Å; Y201-F210 AromaticContact CE2-CE1 3.76Å; Y201-F210 HydrophobicContact CE2-CE1 3.76Å; Y201-F210 AromaticContact CE2-CG 3.54Å; Y201-F210 HydrophobicContact CE2-CG 3.54Å; Y201-F210 HydrophobicContact CE2-CZ 4.35Å; Y201-F210 HydrophobicContact CG-CD1 4.5Å; A204-F210 HydrophobicContact CB-CD2 4.12Å; A204-F210 HydrophobicContact CB-CE2 3.42Å; A204-F210 VanDerWaalsContact CB-CE2 3.42Å; A204-F210 HydrophobicContact CB-CZ 3.96Å; D206-F210 HydrophobicContact CB-CD2 4.01Å; D206-F210 HydrophobicContact CB-CE2 3.83Å; D206-F210 WeakPolarHBondContact O-CD2 3.34Å; D206-F210 PolarHBondContact O-N 3.04Å; D207-F210 PolarHBondContact O-N 2.84Å; F210-N212 VanDerWaalsContact C-N 3.27Å; F210-N212 PolarHBondContact O-N 2.94Å; F210-I213 PolarHBondContact O-N 3.01Å; F210-A214 WeakPolarHBondContact O-CB 3.34Å; F210-A214 PolarHBondContact O-N 3.48Å; F210-Y261 HydrophobicContact CE2-CD2 4.37Å; F210-Y261 AromaticContact CE2-CE2 3.91Å; F210-Y261 HydrophobicContact CE2-CE2 3.91Å; F210-Y261 AromaticContact CZ-CD2 3.71Å; F210-Y261 HydrophobicContact CZ-CD2 3.71Å; F210-Y261 AromaticContact CZ-CE2 3.71Å; F210-Y261 HydrophobicContact CZ-CE2 3.71Å; F210-Y261 HydrophobicContact CZ-CG 4.38Å; F210-T267 HydrophobicContact CD1-CG2 3.56Å; F210-T267 HydrophobicContact CE1-CG2 3.2Å; F210-T267 HydrophobicContact CE2-CG2 4.31Å; F210-T267 HydrophobicContact CG-CG2 4.28Å; F210-T267 HydrophobicContact CZ-CG2 3.62Å; F210-A268 WeakPolarHBondContact CE1-O 3.35Å; F210-F269 HydrophobicContact CB-CE1 4.19Å; F210-F269 HydrophobicContact CB-CZ 4.31Å; F210-F269 AromaticContact CD1-CE1 3.71Å; F210-F269 HydrophobicContact CD1-CE1 3.71Å; F210-F269 HydrophobicContact CD1-CE2 4.2Å; F210-F269 AromaticContact CD1-CZ 3.43Å; F210-F269 HydrophobicContact CD1-CZ 3.43Å; F210-F269 VanDerWaalsContact CD1-CZ 3.43Å; F210-F269 HydrophobicContact CE1-CZ 4.18Å; F210-F269 HydrophobicContact CG-CE1 4.43Å; F210-F269 HydrophobicContact CG-CZ 4.23Å; F210-F269 VanDerWaalsContact O-CE1 3.27Å; F210-F269 WeakPolarHBondContact O-CE1 3.41Å
211	R	91.6	Very high	82.2	Confident	130 Å²	130	34.2 Å²	34.2	49%	0.491	18%	0.182	S	C	.	.	H	α-helix	trans	-57.4	-41.3	176.4	-70.7	179.6	65.3	143	7.2	111.6	D207 L215	D207-R211 WeakPolarHBondContact O-CB 3.34Å; D207-R211 VanDerWaalsContact O-CG 3.28Å; D207-R211 WeakPolarHBondContact O-CG 3.24Å; D207-R211 PolarHBondContact O-N 3.33Å; D207-R211 WeakPolarHBondContact OD2-CD 3.44Å; R211-L215 WeakPolarHBondContact O-CB 3.25Å; R211-L215 WeakPolarHBondContact O-CD1 3.35Å; R211-L215 WeakPolarHBondContact O-CG 3.11Å; R211-L215 PolarHBondContact O-N 3.15Å
212	N	93.3	Very high	84	Confident	48 Å²	48	40.6 Å²	40.6	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-44.2	178.4	-177.6	-95.8	0	0	0	112.7	D208 V209 F210 Q216 R301 L345	D208-N212 VanDerWaalsContact O-CB 3.23Å; D208-N212 WeakPolarHBondContact O-CB 3.29Å; D208-N212 PolarHBondContact O-N 3.48Å; V209-N212 PolarHBondContact O-N 3.27Å; F210-N212 VanDerWaalsContact C-N 3.27Å; F210-N212 PolarHBondContact O-N 2.94Å; N212-Q216 WeakPolarHBondContact O-CB 3.39Å; N212-Q216 PolarHBondContact O-N 3.23Å; N212-R301 PolarHBondContact OD1-NE 2.94Å; N212-R301 PolarHBondContact OD1-NH1 3.42Å; N212-L345 HydrophobicContact CB-CD1 3.96Å; N212-L345 HydrophobicContact CB-CD2 3.61Å; N212-L345 HydrophobicContact CB-CG 4.37Å; N212-L345 WeakPolarHBondContact OD1-CD2 3.35Å
213	I	93.3	Very high	86.5	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-70.5	-43.6	179.7	-63.2	168	0	0	0	110.7	L198 V209 F210 L215 Q216 Y217 T267 F269 F298 R301 I343	L198-I213 HydrophobicContact CD1-CD1 4.35Å; V209-I213 HydrophobicContact CG1-CD1 3.69Å; V209-I213 HydrophobicContact CG1-CG1 4.42Å; V209-I213 VanDerWaalsContact O-CG1 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 3.03Å; F210-I213 PolarHBondContact O-N 3.01Å; I213-L215 PolarHBondContact O-N 3.43Å; I213-Q216 WeakPolarHBondContact O-CB 3.49Å; I213-Q216 PolarHBondContact O-N 2.91Å; I213-Q216 VanDerWaalsContact O-N 3.13Å; I213-Y217 PolarHBondContact O-N 3.44Å; I213-T267 HydrophobicContact CD1-CG2 3.97Å; I213-F269 HydrophobicContact CB-CE1 3.92Å; I213-F269 HydrophobicContact CB-CE2 3.9Å; I213-F269 HydrophobicContact CB-CZ 3.42Å; I213-F269 VanDerWaalsContact CB-CZ 3.42Å; I213-F269 HydrophobicContact CD1-CE2 3.87Å; I213-F269 HydrophobicContact CD1-CZ 3.77Å; I213-F269 HydrophobicContact CG1-CZ 4.18Å; I213-F269 HydrophobicContact CG2-CD1 4.41Å; I213-F269 HydrophobicContact CG2-CD2 3.93Å; I213-F269 HydrophobicContact CG2-CE1 3.98Å; I213-F269 HydrophobicContact CG2-CE2 3.43Å; I213-F269 VanDerWaalsContact CG2-CE2 3.43Å; I213-F269 HydrophobicContact CG2-CG 4.38Å; I213-F269 HydrophobicContact CG2-CZ 3.47Å; I213-F269 VanDerWaalsContact CG2-CZ 3.47Å; I213-F298 HydrophobicContact CG2-CD2 3.54Å; I213-F298 HydrophobicContact CG2-CE2 3.38Å; I213-F298 HydrophobicContact CG2-CZ 4.29Å; I213-R301 HydrophobicContact CB-CG 4.44Å; I213-R301 HydrophobicContact CD1-CB 4.36Å; I213-R301 HydrophobicContact CG1-CB 3.88Å; I213-R301 HydrophobicContact CG1-CG 3.94Å; I213-R301 HydrophobicContact CG2-CB 4.31Å; I213-R301 HydrophobicContact CG2-CG 4.3Å; I213-I343 HydrophobicContact CD1-CD1 4.23Å; I213-I343 HydrophobicContact CD1-CG2 3.94Å
214	A	93.2	Very high	88.6	Confident	22 Å²	22	41.6 Å²	41.6	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-45.8	176.4	0	0	0	0	0	111.1	F210 Q216 Y217 S218 I243 F269	F210-A214 WeakPolarHBondContact O-CB 3.34Å; F210-A214 PolarHBondContact O-N 3.48Å; A214-Q216 VanDerWaalsContact C-N 3.27Å; A214-Q216 PolarHBondContact O-N 3.13Å; A214-Y217 WeakPolarHBondContact O-CB 3.27Å; A214-Y217 PolarHBondContact O-N 3.05Å; A214-Y217 VanDerWaalsContact O-N 3.16Å; A214-S218 PolarHBondContact O-N 3.22Å; A214-S218 PolarHBondContact O-OG 2.98Å; A214-I243 HydrophobicContact CB-CB 4.37Å; A214-I243 HydrophobicContact CB-CG2 3.69Å; A214-F269 HydrophobicContact CB-CD1 4.14Å; A214-F269 HydrophobicContact CB-CE1 4.08Å
215	L	94.1	Very high	89.9	Confident	34 Å²	34	43 Å²	43	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-30.9	175	-71.8	170.6	0	0	0	112.8	R211 I213 Y217 S218 K219 D241 I243	R211-L215 WeakPolarHBondContact O-CB 3.25Å; R211-L215 WeakPolarHBondContact O-CD1 3.35Å; R211-L215 WeakPolarHBondContact O-CG 3.11Å; R211-L215 PolarHBondContact O-N 3.15Å; I213-L215 PolarHBondContact O-N 3.43Å; L215-Y217 VanDerWaalsContact C-N 3.28Å; L215-Y217 PolarHBondContact O-N 3Å; L215-S218 WeakPolarHBondContact CA-OG 3.3Å; L215-K219 HydrophobicContact CB-CD 4.48Å; L215-K219 HydrophobicContact CD2-CD 4.48Å; L215-K219 WeakPolarHBondContact O-CB 3.39Å; L215-K219 WeakPolarHBondContact O-CG 3.14Å; L215-K219 PolarHBondContact O-N 3.46Å; L215-D241 HydrophobicContact CD2-CB 3.52Å; L215-I243 HydrophobicContact CD1-CD1 4.45Å; L215-I243 HydrophobicContact CD2-CD1 3.75Å; L215-I243 HydrophobicContact CD2-CG1 3.95Å; L215-I243 HydrophobicContact CD2-CG2 4.28Å; L215-I243 HydrophobicContact CG-CD1 3.8Å; L215-I243 HydrophobicContact CG-CG1 4.49Å
216	Q	94.3	Very high	90.6	Very high	42 Å²	42	44 Å²	44	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-39.1	175.6	-176.9	61.6	67.9	0	0	111.2	N212 I213 A214 S220 K297 R301	N212-Q216 WeakPolarHBondContact O-CB 3.39Å; N212-Q216 PolarHBondContact O-N 3.23Å; I213-Q216 WeakPolarHBondContact O-CB 3.49Å; I213-Q216 PolarHBondContact O-N 2.91Å; I213-Q216 VanDerWaalsContact O-N 3.13Å; A214-Q216 VanDerWaalsContact C-N 3.27Å; A214-Q216 PolarHBondContact O-N 3.13Å; Q216-S220 PolarHBondContact NE2-OG 2.99Å; Q216-S220 WeakPolarHBondContact O-CB 3.48Å; Q216-S220 PolarHBondContact O-OG 2.79Å; Q216-K297 HydrophobicContact CG-CB 3.95Å; Q216-K297 WeakPolarHBondContact CG-O 3.01Å; Q216-R301 HydrophobicContact CB-CG 4.42Å; Q216-R301 HydrophobicContact CG-CG 4.26Å
217	Y	94.8	Very high	90.1	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-70.9	-59.1	174.1	-169.2	-82.5	0	0	0	110.9	I213 A214 L215 K219 S220 S221 M224 L271 I273 N291 P294 I295 F298	I213-Y217 PolarHBondContact O-N 3.44Å; A214-Y217 WeakPolarHBondContact O-CB 3.27Å; A214-Y217 PolarHBondContact O-N 3.05Å; A214-Y217 VanDerWaalsContact O-N 3.16Å; L215-Y217 VanDerWaalsContact C-N 3.28Å; L215-Y217 PolarHBondContact O-N 3Å; Y217-K219 VanDerWaalsContact C-N 3.33Å; Y217-K219 PolarHBondContact O-N 3.32Å; Y217-S220 PolarHBondContact O-N 3.14Å; Y217-S221 PolarHBondContact O-N 3.38Å; Y217-M224 HydrophobicContact CD1-CE 4.49Å; Y217-M224 HydrophobicContact CD1-SD 3.77Å; Y217-M224 HydrophobicContact CE1-CE 4Å; Y217-M224 HydrophobicContact CE1-SD 3.79Å; Y217-L271 HydrophobicContact CD1-CD2 3.86Å; Y217-L271 HydrophobicContact CD2-CD1 4.03Å; Y217-L271 HydrophobicContact CD2-CD2 4.08Å; Y217-L271 HydrophobicContact CE1-CD1 4.38Å; Y217-L271 HydrophobicContact CE1-CD2 3.94Å; Y217-L271 HydrophobicContact CE2-CD1 3.48Å; Y217-L271 VanDerWaalsContact CE2-CD1 3.48Å; Y217-L271 HydrophobicContact CE2-CD2 4.15Å; Y217-L271 HydrophobicContact CE2-CG 4.43Å; Y217-L271 HydrophobicContact CG-CD2 3.91Å; Y217-I273 WeakPolarHBondContact OH-CG2 3.34Å; Y217-N291 PolarHBondContact OH-OD1 2.91Å; Y217-P294 HydrophobicContact CD1-CB 4Å; Y217-P294 HydrophobicContact CD2-CB 3.63Å; Y217-P294 HydrophobicContact CE1-CB 3.94Å; Y217-P294 HydrophobicContact CE2-CB 3.57Å; Y217-P294 HydrophobicContact CG-CB 3.86Å; Y217-I295 HydrophobicContact CE2-CG1 3.86Å; Y217-F298 HydrophobicContact CD2-CB 3.79Å; Y217-F298 HydrophobicContact CD2-CD2 4.27Å; Y217-F298 HydrophobicContact CD2-CG 4.17Å
218	S	94.2	Very high	89.4	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-41.9	-171.1	71.7	0	0	0	0	112.2	A214 L215 S220 S221 A225 D241	A214-S218 PolarHBondContact O-N 3.22Å; A214-S218 PolarHBondContact O-OG 2.98Å; L215-S218 WeakPolarHBondContact CA-OG 3.3Å; S218-S220 PolarHBondContact O-N 3.13Å; S218-S221 PolarHBondContact O-N 3.19Å; S218-A225 WeakPolarHBondContact O-CB 3.48Å; S218-A225 PolarHBondContact O-N 3.38Å; S218-A225 VanDerWaalsContact O-N 3.1Å; S218-D241 VanDerWaalsContact CB-O 3.27Å; S218-D241 WeakPolarHBondContact CB-O 3.24Å; S218-D241 PolarHBondContact OG-O 3.31Å
219	K	94.2	Very high	88.3	Confident	123 Å²	123	52 Å²	52	54%	0.535	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.9	178.9	-67	-175.3	164.7	175.9	0	114.1	L215 Y217	L215-K219 HydrophobicContact CB-CD 4.48Å; L215-K219 HydrophobicContact CD2-CD 4.48Å; L215-K219 WeakPolarHBondContact O-CB 3.39Å; L215-K219 WeakPolarHBondContact O-CG 3.14Å; L215-K219 PolarHBondContact O-N 3.46Å; Y217-K219 VanDerWaalsContact C-N 3.33Å; Y217-K219 PolarHBondContact O-N 3.32Å
220	S	94.6	Very high	87.3	Confident	41 Å²	41	53.9 Å²	53.9	29%	0.287	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13.3	174.7	-55.9	0	0	0	0	112.2	Q216 Y217 S218 P294	Q216-S220 PolarHBondContact NE2-OG 2.99Å; Q216-S220 WeakPolarHBondContact O-CB 3.48Å; Q216-S220 PolarHBondContact O-OG 2.79Å; Y217-S220 PolarHBondContact O-N 3.14Å; S218-S220 PolarHBondContact O-N 3.13Å; S220-P294 VanDerWaalsContact C-CG 3.5Å; S220-P294 WeakPolarHBondContact O-CG 3.48Å
221	S	91.7	Very high	86.3	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.014	32%	0.316	C	S	.	.	S	Bend	trans	-91.1	132	175.8	157.2	0	0	0	0	108.2	Y217 S218 T223 M224 A225 D290	Y217-S221 PolarHBondContact O-N 3.38Å; S218-S221 PolarHBondContact O-N 3.19Å; S221-T223 VanDerWaalsContact C-N 3.29Å; S221-T223 PolarHBondContact O-N 3.48Å; S221-T223 PolarHBondContact OG-N 3.28Å; S221-M224 PolarHBondContact OG-N 3.36Å; S221-A225 WeakPolarHBondContact O-CB 3.36Å; S221-A225 PolarHBondContact O-N 2.96Å; S221-D290 PolarHBondContact OG-OD1 3.14Å; S221-D290 PolarHBondContact OG-OD2 2.53Å
222	E	88	Confident	85.7	Confident	160 Å²	160	57.1 Å²	57.1	75%	0.748	31%	0.305	S	S	*	.	H	α-helix	trans	-63.8	-42.2	178.1	-173.4	177	167.8	0	0	109.9	S226 D290	E222-S226 WeakPolarHBondContact O-CB 3.47Å; E222-S226 PolarHBondContact O-N 3.37Å; E222-S226 VanDerWaalsContact O-N 3.12Å; E222-S226 PolarHBondContact O-OG 3.26Å; E222-D290 WeakPolarHBondContact CB-OD1 3.4Å; E222-D290 PolarHBondContact N-OD1 3.41Å
223	T	87.6	Confident	84.6	Confident	52 Å²	52	57.4 Å²	57.4	32%	0.319	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-52.1	-178.8	-49.2	0	0	0	0	111.8	S221 S226 M227 V228 T230 D290	S221-T223 VanDerWaalsContact C-N 3.29Å; S221-T223 PolarHBondContact O-N 3.48Å; S221-T223 PolarHBondContact OG-N 3.28Å; T223-S226 PolarHBondContact O-OG 3.29Å; T223-M227 WeakPolarHBondContact O-CA 3.16Å; T223-M227 PolarHBondContact O-N 2.65Å; T223-M227 VanDerWaalsContact O-N 3.09Å; T223-V228 WeakPolarHBondContact CG2-O 3.4Å; T223-T230 HydrophobicContact CG2-CG2 4.14Å; T223-T230 WeakPolarHBondContact O-CG2 3.2Å; T223-D290 PolarHBondContact N-OD1 3.1Å; T223-D290 PolarHBondContact OG1-OD1 2.85Å; T223-D290 PolarHBondContact OG1-OD2 3.1Å
224	M	88.7	Confident	83.2	Confident	28 Å²	28	62.5 Å²	62.5	14%	0.138	34%	0.343	C	S	.	.	H	α-helix	trans	-71.7	-37.3	-177.1	-65	-174.9	176.2	0	0	112.6	Y217 S221 G242 E272 I273	Y217-M224 HydrophobicContact CD1-CE 4.49Å; Y217-M224 HydrophobicContact CD1-SD 3.77Å; Y217-M224 HydrophobicContact CE1-CE 4Å; Y217-M224 HydrophobicContact CE1-SD 3.79Å; S221-M224 PolarHBondContact OG-N 3.36Å; M224-G242 WeakPolarHBondContact O-CA 3.33Å; M224-E272 WeakPolarHBondContact CE-O 3.46Å; M224-I273 HydrophobicContact CE-CG2 4.25Å
225	A	86.1	Confident	82.1	Confident	45 Å²	45	65.3 Å²	65.3	37%	0.372	36%	0.355	S	S	.	.	H	α-helix	trans	-70.5	-42.6	-179.5	0	0	0	0	0	112.5	S218 S221 M227	S218-A225 WeakPolarHBondContact O-CB 3.48Å; S218-A225 PolarHBondContact O-N 3.38Å; S218-A225 VanDerWaalsContact O-N 3.1Å; S221-A225 WeakPolarHBondContact O-CB 3.36Å; S221-A225 PolarHBondContact O-N 2.96Å; A225-M227 VanDerWaalsContact C-N 3.29Å
226	S	82.5	Confident	80.8	Confident	62 Å²	62	68.3 Å²	68.3	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-79	-17.5	-179.1	69.1	0	0	0	0	112.8	E222 T223 V228	E222-S226 WeakPolarHBondContact O-CB 3.47Å; E222-S226 PolarHBondContact O-N 3.37Å; E222-S226 VanDerWaalsContact O-N 3.12Å; E222-S226 PolarHBondContact O-OG 3.26Å; T223-S226 PolarHBondContact O-OG 3.29Å; S226-V228 PolarHBondContact O-N 2.95Å; S226-V228 VanDerWaalsContact O-N 3.12Å; S226-V228 VanDerWaalsContact OG-CB 3.31Å; S226-V228 WeakPolarHBondContact OG-CB 3.48Å; S226-V228 WeakPolarHBondContact OG-CG2 3.17Å; S226-V228 PolarHBondContact OG-N 3Å; S226-V228 VanDerWaalsContact OG-N 3.14Å
227	M	73.2	Confident	79.9	Confident	68 Å²	68	69.6 Å²	69.6	34%	0.335	38%	0.383	S	S	.	.			trans	59.1	13.7	-170.2	-53.9	166.7	61.2	0	0	112.6	T223 A225 T230 I238 F239	T223-M227 WeakPolarHBondContact O-CA 3.16Å; T223-M227 PolarHBondContact O-N 2.65Å; T223-M227 VanDerWaalsContact O-N 3.09Å; A225-M227 VanDerWaalsContact C-N 3.29Å; M227-T230 PolarHBondContact O-OG1 2.79Å; M227-I238 HydrophobicContact CE-CG2 3.02Å; M227-F239 WeakPolarHBondContact CE-O 3.27Å
228	V	70.3	Confident	79.1	Confident	83 Å²	83	74.8 Å²	74.8	50%	0.503	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	138.9	176.5	178.6	0	0	0	0	109.2	T223 S226 T230	T223-V228 WeakPolarHBondContact CG2-O 3.4Å; S226-V228 PolarHBondContact O-N 2.95Å; S226-V228 VanDerWaalsContact O-N 3.12Å; S226-V228 VanDerWaalsContact OG-CB 3.31Å; S226-V228 WeakPolarHBondContact OG-CB 3.48Å; S226-V228 WeakPolarHBondContact OG-CG2 3.17Å; S226-V228 PolarHBondContact OG-N 3Å; S226-V228 VanDerWaalsContact OG-N 3.14Å; V228-T230 PolarHBondContact O-N 3.36Å; V228-T230 VanDerWaalsContact O-N 3.11Å
229	N	67.5	Low	78.7	Confident	143 Å²	143	77.4 Å²	77.4	77%	0.765	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	22.8	-177.1	-61.4	-24.4	0	0	0	114.5
230	T	71.2	Confident	78.3	Confident	38 Å²	38	79.2 Å²	79.2	23%	0.233	43%	0.429	C	S	.	.			trans	-84.7	-11.2	174.5	56.4	0	0	0	0	113.2	T223 M227 V228 C232	T223-T230 HydrophobicContact CG2-CG2 4.14Å; T223-T230 WeakPolarHBondContact O-CG2 3.2Å; M227-T230 PolarHBondContact O-OG1 2.79Å; V228-T230 PolarHBondContact O-N 3.36Å; V228-T230 VanDerWaalsContact O-N 3.11Å; T230-C232 PolarHBondContact O-N 3.38Å
231	W	68.8	Low	78	Confident	161 Å²	161	80 Å²	80	61%	0.61	43%	0.43	S	S	*	.			trans	-68.9	117.8	175.5	-177.9	53.6	0	0	0	110.1	P233 D235	W231-P233 HydrophobicContact CD2-CG 3.81Å; W231-P233 HydrophobicContact CE3-CG 3.63Å; W231-P233 HydrophobicContact CH2-CB 4.03Å; W231-P233 HydrophobicContact CH2-CG 3.47Å; W231-P233 VanDerWaalsContact CH2-CG 3.47Å; W231-P233 HydrophobicContact CZ2-CB 3.9Å; W231-P233 HydrophobicContact CZ2-CG 3.63Å; W231-P233 HydrophobicContact CZ3-CB 4.48Å; W231-P233 HydrophobicContact CZ3-CG 3.46Å; W231-P233 VanDerWaalsContact CZ3-CG 3.46Å; W231-P233 WeakPolarHBondContact O-CD 3.33Å; W231-D235 VanDerWaalsContact CD1-O 3.26Å; W231-D235 PolarHBondContact NE1-O 3.04Å
232	C	78.5	Confident	77.8	Confident	40 Å²	40	80.8 Å²	80.8	27%	0.27	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-112.9	90.4	179.5	-60.2	0	0	0	0	109.7	T230 D235 C275	T230-C232 PolarHBondContact O-N 3.38Å; C232-D235 WeakPolarHBondContact O-CA 3.49Å; C232-D235 WeakPolarHBondContact O-CB 3.49Å; C232-D235 PolarHBondContact O-N 3.35Å; C232-C275 WeakPolarHBondContact CA-SG 3.2Å; C232-C275 HydrophobicContact CB-CB 3.51Å; C232-C275 WeakPolarHBondContact CB-SG 3.33Å; C232-C275 WeakPolarHBondContact SG-CA 3.49Å; C232-C275 WeakPolarHBondContact SG-CB 3.09Å; C232-C275 CovalentContact SG-SG 2.03Å; C232-C275 PolarHBondContact SG-SG 3.42Å
233	P	69.6	Low	77.9	Confident	55 Å²	55	74.9 Å²	74.9	36%	0.357	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	140.5	-177.2	-19.8	30.1	0	0	0	112.1	W231	W231-P233 HydrophobicContact CD2-CG 3.81Å; W231-P233 HydrophobicContact CE3-CG 3.63Å; W231-P233 HydrophobicContact CH2-CB 4.03Å; W231-P233 HydrophobicContact CH2-CG 3.47Å; W231-P233 VanDerWaalsContact CH2-CG 3.47Å; W231-P233 HydrophobicContact CZ2-CB 3.9Å; W231-P233 HydrophobicContact CZ2-CG 3.63Å; W231-P233 HydrophobicContact CZ3-CB 4.48Å; W231-P233 HydrophobicContact CZ3-CG 3.46Å; W231-P233 VanDerWaalsContact CZ3-CG 3.46Å; W231-P233 WeakPolarHBondContact O-CD 3.33Å
234	P	64.3	Low	77.9	Confident	108 Å²	108	75.2 Å²	75.2	70%	0.701	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.6	-0.5	6.7	35.7	-36	0	0	0	114.8	P236	P234-P236 WeakPolarHBondContact O-CD 3.47Å
235	D	69	Low	77.7	Confident	81 Å²	81	75.6 Å²	75.6	43%	0.433	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-73	118	-171.6	-56.9	-40.9	0	0	0	110.5	W231 C232 E237	W231-D235 VanDerWaalsContact CD1-O 3.26Å; W231-D235 PolarHBondContact NE1-O 3.04Å; C232-D235 WeakPolarHBondContact O-CA 3.49Å; C232-D235 WeakPolarHBondContact O-CB 3.49Å; C232-D235 PolarHBondContact O-N 3.35Å; D235-E237 PolarHBondContact O-N 3.2Å
236	P	67.8	Low	77.5	Confident	97 Å²	97	74.3 Å²	74.3	63%	0.63	41%	0.407	S	S	*	.			trans	-81.3	8.3	-178.3	35.5	-36.7	0	0	0	112.6	P234	P234-P236 WeakPolarHBondContact O-CD 3.47Å
237	E	75.6	Confident	77.3	Confident	69 Å²	69	73.7 Å²	73.7	32%	0.322	41%	0.406	S	S	.	.			trans	-68.6	135.9	-170.6	-68.6	105.7	-127.5	0	0	112.6	D235 F239 W249	D235-E237 PolarHBondContact O-N 3.2Å; E237-F239 HydrophobicContact CB-CE1 4Å; E237-F239 HydrophobicContact CB-CE2 4.45Å; E237-F239 HydrophobicContact CB-CZ 3.8Å; E237-F239 HydrophobicContact CG-CE1 4.47Å; E237-F239 HydrophobicContact CG-CZ 4.4Å; E237-W249 PolarHBondContact OE2-NE1 3.42Å
238	I	78.3	Confident	77.6	Confident	112 Å²	112	76.8 Å²	76.8	57%	0.574	42%	0.424	S	S	*	.			trans	-129.7	121.9	174.4	-65.8	177.6	0	0	0	106.6	M227	M227-I238 HydrophobicContact CE-CG2 3.02Å
239	F	85.7	Confident	78	Confident	57 Å²	57	76.6 Å²	76.6	25%	0.25	41%	0.414	C	S	.	.			trans	-99.5	117.8	-178.2	-57.1	-52.5	0	0	0	110.4	M227 E237 D241 G242 T244 W249	M227-F239 WeakPolarHBondContact CE-O 3.27Å; E237-F239 HydrophobicContact CB-CE1 4Å; E237-F239 HydrophobicContact CB-CE2 4.45Å; E237-F239 HydrophobicContact CB-CZ 3.8Å; E237-F239 HydrophobicContact CG-CE1 4.47Å; E237-F239 HydrophobicContact CG-CZ 4.4Å; F239-D241 PolarHBondContact O-N 3.1Å; F239-G242 WeakPolarHBondContact O-CA 3.16Å; F239-G242 PolarHBondContact O-N 2.86Å; F239-T244 VanDerWaalsContact CD1-CB 3.41Å; F239-T244 HydrophobicContact CD1-CG2 3.84Å; F239-T244 HydrophobicContact CE1-CG2 3.74Å; F239-T244 HydrophobicContact CE2-CG2 4.43Å; F239-T244 HydrophobicContact CG-CG2 4.23Å; F239-T244 HydrophobicContact CZ-CG2 4.06Å; F239-W249 HydrophobicContact CE1-CD2 4.41Å; F239-W249 HydrophobicContact CE1-CG 4.29Å; F239-W249 HydrophobicContact CE2-CZ2 4.47Å; F239-W249 AromaticContact CZ-CD2 3.91Å; F239-W249 HydrophobicContact CZ-CD2 3.91Å; F239-W249 AromaticContact CZ-CE2 3.62Å; F239-W249 HydrophobicContact CZ-CE3 4.48Å; F239-W249 HydrophobicContact CZ-CG 4.24Å; F239-W249 AromaticContact CZ-CZ2 3.97Å; F239-W249 HydrophobicContact CZ-CZ2 3.97Å; F239-W249 AromaticContact CZ-NE1 3.73Å
240	K	84.5	Confident	78.4	Confident	162 Å²	162	74.3 Å²	74.3	70%	0.704	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-57.4	134.1	176.6	179.3	-179.9	173.8	179.5	0	110	G242 I243	K240-G242 PolarHBondContact O-N 2.03Å; K240-G242 VanDerWaalsContact O-N 3.11Å; K240-I243 PolarHBondContact O-N 3.26Å
241	D	88.5	Confident	78.7	Confident	58 Å²	58	75.8 Å²	75.8	31%	0.31	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	57.9	17.5	-176.2	-58.1	-63.1	0	0	0	113.6	L215 S218 F239 I243	L215-D241 HydrophobicContact CD2-CB 3.52Å; S218-D241 VanDerWaalsContact CB-O 3.27Å; S218-D241 WeakPolarHBondContact CB-O 3.24Å; S218-D241 PolarHBondContact OG-O 3.31Å; F239-D241 PolarHBondContact O-N 3.1Å; D241-I243 VanDerWaalsContact C-N 3.26Å; D241-I243 HydrophobicContact CB-CG1 4.38Å; D241-I243 PolarHBondContact O-N 3.09Å
242	G	88.9	Confident	79.2	Confident	18 Å²	18	69.9 Å²	69.9	19%	0.186	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	68.7	19.2	-177.1	0	0	0	0	0	114.4	M224 F239 K240	M224-G242 WeakPolarHBondContact O-CA 3.33Å; F239-G242 WeakPolarHBondContact O-CA 3.16Å; F239-G242 PolarHBondContact O-N 2.86Å; K240-G242 PolarHBondContact O-N 2.03Å; K240-G242 VanDerWaalsContact O-N 3.11Å
243	I	89.3	Confident	79.5	Confident	35 Å²	35	72 Å²	72	18%	0.179	40%	0.404	C	S	.	.			trans	-131.3	150.1	-180	63.6	156.1	0	0	0	111.9	A214 L215 K240 D241	A214-I243 HydrophobicContact CB-CB 4.37Å; A214-I243 HydrophobicContact CB-CG2 3.69Å; L215-I243 HydrophobicContact CD1-CD1 4.45Å; L215-I243 HydrophobicContact CD2-CD1 3.75Å; L215-I243 HydrophobicContact CD2-CG1 3.95Å; L215-I243 HydrophobicContact CD2-CG2 4.28Å; L215-I243 HydrophobicContact CG-CD1 3.8Å; L215-I243 HydrophobicContact CG-CG1 4.49Å; K240-I243 PolarHBondContact O-N 3.26Å; D241-I243 VanDerWaalsContact C-N 3.26Å; D241-I243 HydrophobicContact CB-CG1 4.38Å; D241-I243 PolarHBondContact O-N 3.09Å
244	T	87.6	Confident	80.3	Confident	59 Å²	59	69.4 Å²	69.4	36%	0.362	39%	0.387	S	S	.	.			trans	-141.9	157.2	171.6	-166.8	0	0	0	0	110.3	F239 W249	F239-T244 VanDerWaalsContact CD1-CB 3.41Å; F239-T244 HydrophobicContact CD1-CG2 3.84Å; F239-T244 HydrophobicContact CE1-CG2 3.74Å; F239-T244 HydrophobicContact CE2-CG2 4.43Å; F239-T244 HydrophobicContact CG-CG2 4.23Å; F239-T244 HydrophobicContact CZ-CG2 4.06Å; T244-W249 HydrophobicContact CG2-CB 4.07Å; T244-W249 HydrophobicContact CG2-CD2 4.28Å; T244-W249 HydrophobicContact CG2-CE3 4.09Å; T244-W249 HydrophobicContact CG2-CG 4.3Å
245	N	84.7	Confident	81.4	Confident	36 Å²	36	64.2 Å²	64.2	19%	0.193	35%	0.353	C	S	.	.			trans	-79.1	122.8	166.5	172.1	-24.7	0	0	0	107.8	A203 A247 D248 W249	A203-N245 WeakPolarHBondContact CB-ND2 3.49Å; A203-N245 WeakPolarHBondContact CB-OD1 3.38Å; N245-A247 VanDerWaalsContact C-N 3.35Å; N245-A247 PolarHBondContact O-N 2.8Å; N245-A247 WeakPolarHBondContact OD1-CB 3.36Å; N245-A247 PolarHBondContact OD1-N 3.49Å; N245-D248 HydrophobicContact CB-CB 3.86Å; N245-D248 VanDerWaalsContact CB-OD2 3.24Å; N245-D248 WeakPolarHBondContact CB-OD2 3.45Å; N245-D248 VanDerWaalsContact CG-OD2 3.31Å; N245-D248 PolarHBondContact ND2-OD2 3.14Å; N245-D248 PolarHBondContact O-N 3.12Å; N245-D248 VanDerWaalsContact O-N 3.16Å; N245-D248 PolarHBondContact OD1-N 3.12Å; N245-W249 WeakPolarHBondContact O-CB 3.48Å; N245-W249 PolarHBondContact O-N 2.89Å
246	G	82.7	Confident	82.4	Confident	19 Å²	19	60.5 Å²	60.5	20%	0.196	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-41.7	-177.4	0	0	0	0	0	113.3	D248 W249 Y250	G246-D248 VanDerWaalsContact C-N 3.34Å; G246-W249 PolarHBondContact O-N 2.99Å; G246-Y250 CarbonylContact O-C 3.59Å; G246-Y250 PolarHBondContact O-N 3.47Å
247	A	78.6	Confident	83.3	Confident	49 Å²	49	56.2 Å²	56.2	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-69.4	-32.2	177.3	0	0	0	0	0	112.6	A203 N245	A203-A247 HydrophobicContact CB-CB 4.39Å; N245-A247 VanDerWaalsContact C-N 3.35Å; N245-A247 PolarHBondContact O-N 2.8Å; N245-A247 WeakPolarHBondContact OD1-CB 3.36Å; N245-A247 PolarHBondContact OD1-N 3.49Å
248	D	78.3	Confident	83.7	Confident	133 Å²	133	54.6 Å²	54.6	71%	0.711	30%	0.298	S	S	*	.	H	α-helix	trans	-73	-31.2	172.9	-66.5	-22.3	0	0	0	111.7	N245 G246	N245-D248 HydrophobicContact CB-CB 3.86Å; N245-D248 VanDerWaalsContact CB-OD2 3.24Å; N245-D248 WeakPolarHBondContact CB-OD2 3.45Å; N245-D248 VanDerWaalsContact CG-OD2 3.31Å; N245-D248 PolarHBondContact ND2-OD2 3.14Å; N245-D248 PolarHBondContact O-N 3.12Å; N245-D248 VanDerWaalsContact O-N 3.16Å; N245-D248 PolarHBondContact OD1-N 3.12Å; G246-D248 VanDerWaalsContact C-N 3.34Å
249	W	79.5	Confident	84.2	Confident	79 Å²	79	49.7 Å²	49.7	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-71.7	-54.5	176.2	-176	24	0	0	0	110.9	E237 F239 T244 N245 G246 E272	E237-W249 PolarHBondContact OE2-NE1 3.42Å; F239-W249 HydrophobicContact CE1-CD2 4.41Å; F239-W249 HydrophobicContact CE1-CG 4.29Å; F239-W249 HydrophobicContact CE2-CZ2 4.47Å; F239-W249 AromaticContact CZ-CD2 3.91Å; F239-W249 HydrophobicContact CZ-CD2 3.91Å; F239-W249 AromaticContact CZ-CE2 3.62Å; F239-W249 HydrophobicContact CZ-CE3 4.48Å; F239-W249 HydrophobicContact CZ-CG 4.24Å; F239-W249 AromaticContact CZ-CZ2 3.97Å; F239-W249 HydrophobicContact CZ-CZ2 3.97Å; F239-W249 AromaticContact CZ-NE1 3.73Å; T244-W249 HydrophobicContact CG2-CB 4.07Å; T244-W249 HydrophobicContact CG2-CD2 4.28Å; T244-W249 HydrophobicContact CG2-CE3 4.09Å; T244-W249 HydrophobicContact CG2-CG 4.3Å; N245-W249 WeakPolarHBondContact O-CB 3.48Å; N245-W249 PolarHBondContact O-N 2.89Å; G246-W249 PolarHBondContact O-N 2.99Å; W249-E272 HydrophobicContact CH2-CG 4.01Å; W249-E272 HydrophobicContact CZ3-CG 4.01Å
250	Y	76	Confident	84.3	Confident	95 Å²	95	47 Å²	47	37%	0.373	26%	0.261	S	S	.	.			trans	-162.2	135.9	167.4	58.9	-86.4	0	0	0	111.8	G246 I252	G246-Y250 CarbonylContact O-C 3.59Å; G246-Y250 PolarHBondContact O-N 3.47Å; Y250-I252 HydrophobicContact CD2-CG2 3.41Å; Y250-I252 VanDerWaalsContact CD2-CG2 3.41Å; Y250-I252 HydrophobicContact CE2-CG2 3.35Å
251	G	77.1	Confident	84.4	Confident	69 Å²	69	39.7 Å²	39.7	71%	0.711	23%	0.229	S	C	*	.			trans	-69	132.6	177.9	0	0	0	0	0	112.7
252	I	79.8	Confident	84.1	Confident	37 Å²	37	39.7 Å²	39.7	19%	0.19	23%	0.231	C	C	.	.			trans	-133.9	152.8	173.7	64.1	177.6	0	0	0	110.6	Y250 S255	Y250-I252 HydrophobicContact CD2-CG2 3.41Å; Y250-I252 VanDerWaalsContact CD2-CG2 3.41Å; Y250-I252 HydrophobicContact CE2-CG2 3.35Å; I252-S255 VanDerWaalsContact CD1-CB 3.48Å
253	E	83.6	Confident	83.8	Confident	84 Å²	84	43.4 Å²	43.4	39%	0.393	24%	0.242	S	C	.	.	S	Bend	trans	-123.4	149.6	173.1	-63.7	-175.7	-169.2	0	0	110.2	R167 H174 S255	R167-E253 VanDerWaalsContact CD-O 3.27Å; R167-E253 WeakPolarHBondContact CD-O 3.4Å; H174-E253 IonicContact CE1-OE1 3.66Å; H174-E253 IonicContact CE1-OE2 3.27Å; H174-E253 PolarHBondContact CE1-OE2 3.42Å; H174-E253 VanDerWaalsContact CE1-OE2 3.27Å; H174-E253 IonicContact CG-OE2 3.91Å; H174-E253 IonicContact ND1-OE1 3.8Å; H174-E253 IonicContact ND1-OE2 2.7Å; H174-E253 PolarHBondContact ND1-OE2 2.87Å; E253-S255 VanDerWaalsContact C-N 3.31Å; E253-S255 PolarHBondContact O-N 3.37Å
254	G	85.7	Confident	83.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	69.2	30.1	178.9	0	0	0	0	0	113.4	N166 R167 N168 Y169	N166-G254 CarbonylContact C-O 3.48Å; R167-G254 CarbonylContact C-O 3.48Å; R167-G254 VanDerWaalsContact CA-O 3.28Å; R167-G254 WeakPolarHBondContact CA-O 3.39Å; N168-G254 PolarHBondContact N-O 3.24Å; Y169-G254 WeakPolarHBondContact CB-O 3.49Å; Y169-G254 PolarHBondContact N-O 3.25Å; Y169-G254 WeakPolarHBondContact O-CA 3.41Å
255	S	88.9	Confident	83.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.			trans	-74	151.8	174.5	76.6	0	0	0	0	111.1	N166 I252 E253 Q257 D258 Y259	N166-S255 WeakPolarHBondContact OD1-CA 3.37Å; I252-S255 VanDerWaalsContact CD1-CB 3.48Å; E253-S255 VanDerWaalsContact C-N 3.31Å; E253-S255 PolarHBondContact O-N 3.37Å; S255-Q257 PolarHBondContact O-N 3.35Å; S255-Q257 WeakPolarHBondContact OG-CB 3.06Å; S255-Q257 PolarHBondContact OG-N 3.43Å; S255-D258 PolarHBondContact OG-N 3.05Å; S255-D258 PolarHBondContact OG-OD2 2.91Å; S255-Y259 PolarHBondContact O-N 2.79Å
256	L	89.4	Confident	83.4	Confident	2 Å²	2	41 Å²	41	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-55.4	-32.7	168.9	168.6	59.6	0	0	0	110.2	I95 M138 N166 Y169 F187 Y259 M260	I95-L256 HydrophobicContact CD1-CB 4.26Å; I95-L256 HydrophobicContact CD1-CD2 4.42Å; M138-L256 HydrophobicContact CE-CD2 4.33Å; M138-L256 HydrophobicContact SD-CD2 4.05Å; N166-L256 PolarHBondContact OD1-N 3.14Å; Y169-L256 HydrophobicContact CD2-CB 4.06Å; Y169-L256 HydrophobicContact CE1-CD1 3.9Å; Y169-L256 HydrophobicContact CE2-CB 3.69Å; Y169-L256 HydrophobicContact CE2-CD1 4.4Å; F187-L256 HydrophobicContact CD1-CD1 3.87Å; F187-L256 HydrophobicContact CE1-CD1 3.16Å; F187-L256 HydrophobicContact CE2-CD1 4.4Å; F187-L256 HydrophobicContact CZ-CD1 3.49Å; F187-L256 VanDerWaalsContact CZ-CD1 3.49Å; F187-L256 HydrophobicContact CZ-CD2 4.49Å; L256-Y259 WeakPolarHBondContact O-CB 3.39Å; L256-Y259 PolarHBondContact O-N 2.99Å; L256-M260 HydrophobicContact CD1-CG 3.71Å; L256-M260 HydrophobicContact CD1-SD 4.43Å; L256-M260 HydrophobicContact CG-CG 4.31Å; L256-M260 WeakPolarHBondContact O-CB 3.12Å; L256-M260 WeakPolarHBondContact O-CG 3.3Å; L256-M260 PolarHBondContact O-N 3.49Å
257	Q	86.8	Confident	83.6	Confident	7 Å²	7	40.1 Å²	40.1	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-50.6	-172.5	-44.5	15	106.4	0	0	113.1	N166 F200 Y201 S255 Y259 M260 Y261	N166-Q257 PolarHBondContact ND2-OE1 3.37Å; N166-Q257 PolarHBondContact OD1-OE1 3.49Å; F200-Q257 VanDerWaalsContact C-CG 3.43Å; F200-Q257 WeakPolarHBondContact O-CA 3.43Å; F200-Q257 WeakPolarHBondContact O-CB 3.29Å; F200-Q257 WeakPolarHBondContact O-CG 3.38Å; F200-Q257 PolarHBondContact O-NE2 2.8Å; Y201-Q257 VanDerWaalsContact N-CG 3.3Å; Y201-Q257 WeakPolarHBondContact O-CB 3.39Å; Y201-Q257 WeakPolarHBondContact O-CG 3.18Å; S255-Q257 PolarHBondContact O-N 3.35Å; S255-Q257 WeakPolarHBondContact OG-CB 3.06Å; S255-Q257 PolarHBondContact OG-N 3.43Å; Q257-Y259 PolarHBondContact O-N 2.99Å; Q257-M260 PolarHBondContact O-N 3.37Å; Q257-Y261 PolarHBondContact O-N 3.25Å
258	D	84.6	Confident	84	Confident	35 Å²	35	37.8 Å²	37.8	19%	0.187	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-38.5	177.8	-61.3	-43.3	0	0	0	109.5	S202 S255 M260 V262	S202-D258 WeakPolarHBondContact CB-OD1 3.38Å; S255-D258 PolarHBondContact OG-N 3.05Å; S255-D258 PolarHBondContact OG-OD2 2.91Å; D258-M260 VanDerWaalsContact C-N 3.33Å; D258-M260 PolarHBondContact O-N 2.99Å; D258-V262 WeakPolarHBondContact O-CB 3.48Å; D258-V262 WeakPolarHBondContact O-CG2 3.46Å; D258-V262 PolarHBondContact O-N 3.3Å
259	Y	87.4	Confident	84.4	Confident	9 Å²	9	31.9 Å²	31.9	4%	0.035	17%	0.168	C	C	.	.	I	π-helix	trans	-57.9	-47.5	175.2	176.1	-99.4	0	0	0	111.6	Y169 P170 F187 I188 V191 S255 L256 Q257 F263 K264	Y169-Y259 HydrophobicContact CD1-CD1 4.08Å; Y169-Y259 AromaticContact CD1-CG 3.97Å; Y169-Y259 HydrophobicContact CD1-CG 3.97Å; P170-Y259 HydrophobicContact CB-CD2 4.49Å; P170-Y259 HydrophobicContact CG-CD2 4.21Å; P170-Y259 HydrophobicContact CG-CE2 4.3Å; F187-Y259 HydrophobicContact CE1-CE1 4.49Å; I188-Y259 HydrophobicContact CG1-CE1 4.4Å; I188-Y259 HydrophobicContact CG1-CE2 4.38Å; V191-Y259 HydrophobicContact CG1-CE1 3.67Å; S255-Y259 PolarHBondContact O-N 2.79Å; L256-Y259 WeakPolarHBondContact O-CB 3.39Å; L256-Y259 PolarHBondContact O-N 2.99Å; Q257-Y259 PolarHBondContact O-N 2.99Å; Y259-F263 HydrophobicContact CD2-CB 4.14Å; Y259-F263 AromaticContact CD2-CD2 3.87Å; Y259-F263 HydrophobicContact CD2-CD2 3.87Å; Y259-F263 HydrophobicContact CD2-CG 4.11Å; Y259-F263 HydrophobicContact CE2-CB 4.08Å; Y259-F263 HydrophobicContact CE2-CG 4.29Å; Y259-F263 WeakPolarHBondContact O-CA 3.44Å; Y259-F263 VanDerWaalsContact O-CB 3.26Å; Y259-F263 WeakPolarHBondContact O-CB 3.46Å; Y259-F263 PolarHBondContact O-N 2.99Å; Y259-K264 HydrophobicContact CE1-CD 4.42Å; Y259-K264 HydrophobicContact CE1-CG 4.01Å; Y259-K264 PolarHBondContact O-N 3.37Å
260	M	88.4	Confident	84.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-71.4	-39.2	-176.7	-69.1	-61.4	-59.6	0	0	112.8	F187 V191 I196 D199 L256 Q257 D258 K264 G265 A266 A268	F187-M260 HydrophobicContact CE1-SD 3.93Å; F187-M260 HydrophobicContact CZ-SD 4.2Å; V191-M260 HydrophobicContact CG1-SD 4.35Å; V191-M260 HydrophobicContact CG2-CE 3.56Å; V191-M260 HydrophobicContact CG2-SD 3.72Å; I196-M260 HydrophobicContact CB-CE 3.77Å; I196-M260 HydrophobicContact CG1-CE 3.98Å; I196-M260 HydrophobicContact CG2-CE 3.89Å; D199-M260 HydrophobicContact CB-CB 4.07Å; D199-M260 HydrophobicContact CB-CE 4.17Å; D199-M260 HydrophobicContact CB-CG 4.28Å; D199-M260 WeakPolarHBondContact OD2-CE 3.27Å; D199-M260 WeakPolarHBondContact OD2-CG 3.37Å; D199-M260 VanDerWaalsContact OD2-SD 3.37Å; L256-M260 HydrophobicContact CD1-CG 3.71Å; L256-M260 HydrophobicContact CD1-SD 4.43Å; L256-M260 HydrophobicContact CG-CG 4.31Å; L256-M260 WeakPolarHBondContact O-CB 3.12Å; L256-M260 WeakPolarHBondContact O-CG 3.3Å; L256-M260 PolarHBondContact O-N 3.49Å; Q257-M260 PolarHBondContact O-N 3.37Å; D258-M260 VanDerWaalsContact C-N 3.33Å; D258-M260 PolarHBondContact O-N 2.99Å; M260-K264 HydrophobicContact CE-CB 3.92Å; M260-K264 HydrophobicContact CE-CG 4.01Å; M260-K264 CarbonylContact O-C 3.56Å; M260-K264 VanDerWaalsContact O-C 3.31Å; M260-K264 VanDerWaalsContact O-CA 3.32Å; M260-K264 WeakPolarHBondContact O-CA 3.5Å; M260-K264 VanDerWaalsContact O-CB 3.23Å; M260-K264 WeakPolarHBondContact O-CB 3.33Å; M260-K264 PolarHBondContact O-N 3.48Å; M260-K264 HydrophobicContact SD-CB 4.1Å; M260-K264 HydrophobicContact SD-CG 3.64Å; M260-G265 PolarHBondContact O-N 3.21Å; M260-A266 HydrophobicContact CE-CB 4.06Å; M260-A266 PolarHBondContact O-N 2.91Å; M260-A268 HydrophobicContact CB-CB 4.36Å
261	Y	86.4	Confident	85.6	Confident	9 Å²	9	29.2 Å²	29.2	4%	0.035	17%	0.168	C	C	.	.	I	π-helix	trans	-72.3	-50.9	177.4	-177.2	-113.9	0	0	0	112.5	A204 D206 F210 Q257 G265 A266 I330	A204-Y261 HydrophobicContact CB-CD1 3.79Å; A204-Y261 HydrophobicContact CB-CE1 3.13Å; A204-Y261 HydrophobicContact CB-CE2 4.04Å; A204-Y261 HydrophobicContact CB-CG 4.46Å; A204-Y261 WeakPolarHBondContact CB-OH 3.48Å; D206-Y261 PolarHBondContact OD2-OH 2.99Å; F210-Y261 HydrophobicContact CE2-CD2 4.37Å; F210-Y261 AromaticContact CE2-CE2 3.91Å; F210-Y261 HydrophobicContact CE2-CE2 3.91Å; F210-Y261 AromaticContact CZ-CD2 3.71Å; F210-Y261 HydrophobicContact CZ-CD2 3.71Å; F210-Y261 AromaticContact CZ-CE2 3.71Å; F210-Y261 HydrophobicContact CZ-CE2 3.71Å; F210-Y261 HydrophobicContact CZ-CG 4.38Å; Q257-Y261 PolarHBondContact O-N 3.25Å; Y261-G265 WeakPolarHBondContact O-CA 3.23Å; Y261-G265 PolarHBondContact O-N 2.92Å; Y261-A266 VanDerWaalsContact CA-O 3.29Å; Y261-A266 WeakPolarHBondContact CA-O 3.28Å; Y261-I330 HydrophobicContact CE1-CB 4.26Å; Y261-I330 HydrophobicContact CE1-CD1 4.49Å; Y261-I330 HydrophobicContact CE1-CG1 3.55Å; Y261-I330 HydrophobicContact CE1-CG2 4.29Å; Y261-I330 WeakPolarHBondContact OH-CB 3.25Å; Y261-I330 VanDerWaalsContact OH-CG1 3.24Å; Y261-I330 WeakPolarHBondContact OH-CG1 3.48Å
262	V	82.3	Confident	86.2	Confident	59 Å²	59	30.2 Å²	30.2	36%	0.358	15%	0.154	S	C	.	.	I	π-helix	trans	-76.2	-43.5	-173	178	0	0	0	0	111.9	I172 D258	I172-V262 HydrophobicContact CG2-CG1 3.88Å; D258-V262 WeakPolarHBondContact O-CB 3.48Å; D258-V262 WeakPolarHBondContact O-CG2 3.46Å; D258-V262 PolarHBondContact O-N 3.3Å
263	F	81.8	Confident	86.7	Confident	96 Å²	96	29.9 Å²	29.9	42%	0.421	15%	0.153	S	C	.	.	I	π-helix	trans	-99.1	-24.1	-172.7	-60.3	-96.1	0	0	0	113.3	P170 I172 Y259	P170-F263 HydrophobicContact CB-CZ 4.31Å; I172-F263 HydrophobicContact CG2-CE2 4.46Å; I172-F263 HydrophobicContact CG2-CZ 4.22Å; Y259-F263 HydrophobicContact CD2-CB 4.14Å; Y259-F263 AromaticContact CD2-CD2 3.87Å; Y259-F263 HydrophobicContact CD2-CD2 3.87Å; Y259-F263 HydrophobicContact CD2-CG 4.11Å; Y259-F263 HydrophobicContact CE2-CB 4.08Å; Y259-F263 HydrophobicContact CE2-CG 4.29Å; Y259-F263 WeakPolarHBondContact O-CA 3.44Å; Y259-F263 VanDerWaalsContact O-CB 3.26Å; Y259-F263 WeakPolarHBondContact O-CB 3.46Å; Y259-F263 PolarHBondContact O-N 2.99Å
264	K	84.5	Confident	87	Confident	63 Å²	63	27.3 Å²	27.3	27%	0.274	14%	0.144	S	C	.	.	H	α-helix	trans	-109.2	-11.5	-179.9	-54.6	-55.7	-56.8	170.4	0	114	V191 Y259 M260 A266	V191-K264 WeakPolarHBondContact O-CE 3.26Å; Y259-K264 HydrophobicContact CE1-CD 4.42Å; Y259-K264 HydrophobicContact CE1-CG 4.01Å; Y259-K264 PolarHBondContact O-N 3.37Å; M260-K264 HydrophobicContact CE-CB 3.92Å; M260-K264 HydrophobicContact CE-CG 4.01Å; M260-K264 CarbonylContact O-C 3.56Å; M260-K264 VanDerWaalsContact O-C 3.31Å; M260-K264 VanDerWaalsContact O-CA 3.32Å; M260-K264 WeakPolarHBondContact O-CA 3.5Å; M260-K264 VanDerWaalsContact O-CB 3.23Å; M260-K264 WeakPolarHBondContact O-CB 3.33Å; M260-K264 PolarHBondContact O-N 3.48Å; M260-K264 HydrophobicContact SD-CB 4.1Å; M260-K264 HydrophobicContact SD-CG 3.64Å; K264-A266 PolarHBondContact O-N 3.43Å
265	G	82.3	Confident	87.1	Confident	16 Å²	16	29.9 Å²	29.9	17%	0.165	16%	0.161	C	C	.	.			trans	68.6	11.6	-179.1	0	0	0	0	0	114	M260 Y261 R342	M260-G265 PolarHBondContact O-N 3.21Å; Y261-G265 WeakPolarHBondContact O-CA 3.23Å; Y261-G265 PolarHBondContact O-N 2.92Å; G265-R342 PolarHBondContact O-NH1 3.31Å
266	A	87.3	Confident	87.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.			trans	-86.3	136.1	-179.2	0	0	0	0	0	110.3	I196 D199 M260 Y261 K264 A268	I196-A266 HydrophobicContact CB-CB 4.36Å; I196-A266 HydrophobicContact CG2-CB 4.08Å; I196-A266 WeakPolarHBondContact O-CB 3.46Å; D199-A266 HydrophobicContact CB-CB 4.37Å; M260-A266 HydrophobicContact CE-CB 4.06Å; M260-A266 PolarHBondContact O-N 2.91Å; Y261-A266 VanDerWaalsContact CA-O 3.29Å; Y261-A266 WeakPolarHBondContact CA-O 3.28Å; K264-A266 PolarHBondContact O-N 3.43Å; A266-A268 PolarHBondContact O-N 3.49Å
267	T	86.8	Confident	87.5	Confident	1 Å²	1	33 Å²	33	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.6	174.7	-54.3	0	0	0	0	108.7	V197 L198 D199 F210 I213 F269	V197-T267 PolarHBondContact O-N 3.28Å; L198-T267 CarbonylContact C-O 3.53Å; L198-T267 VanDerWaalsContact CA-O 3.32Å; L198-T267 WeakPolarHBondContact CA-O 3.47Å; L198-T267 HydrophobicContact CD1-CG2 4.46Å; L198-T267 WeakPolarHBondContact CD1-O 3.15Å; D199-T267 PolarHBondContact N-O 2.89Å; F210-T267 HydrophobicContact CD1-CG2 3.56Å; F210-T267 HydrophobicContact CE1-CG2 3.2Å; F210-T267 HydrophobicContact CE2-CG2 4.31Å; F210-T267 HydrophobicContact CG-CG2 4.28Å; F210-T267 HydrophobicContact CZ-CG2 3.62Å; I213-T267 HydrophobicContact CD1-CG2 3.97Å; T267-F269 HydrophobicContact CG2-CE2 3.47Å; T267-F269 VanDerWaalsContact CG2-CE2 3.47Å; T267-F269 HydrophobicContact CG2-CZ 3.66Å
268	A	86.2	Confident	88	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.1	-170.6	0	0	0	0	0	112.2	D199 F200 Y201 F210 M260 A266	D199-A268 HydrophobicContact CB-CB 4.05Å; D199-A268 CarbonylContact O-C 3.31Å; D199-A268 VanDerWaalsContact O-C 3.23Å; D199-A268 WeakPolarHBondContact O-CA 3.3Å; F200-A268 VanDerWaalsContact C-CA 3.46Å; F200-A268 VanDerWaalsContact CA-C 3.49Å; F200-A268 VanDerWaalsContact N-CA 3.31Å; F200-A268 VanDerWaalsContact N-CB 3.34Å; F200-A268 WeakPolarHBondContact O-CB 3.28Å; Y201-A268 WeakPolarHBondContact CA-O 3.35Å; Y201-A268 VanDerWaalsContact CB-C 3.44Å; Y201-A268 WeakPolarHBondContact CB-O 3.45Å; Y201-A268 WeakPolarHBondContact CD2-O 3.48Å; Y201-A268 PolarHBondContact N-O 2.91Å; F210-A268 WeakPolarHBondContact CE1-O 3.35Å; M260-A268 HydrophobicContact CB-CB 4.36Å; A266-A268 PolarHBondContact O-N 3.49Å
269	F	87.7	Confident	88.5	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.035	17%	0.173	C	C	.	.			trans	-127.3	115.6	171.8	-59.5	-81	0	0	0	122.6	L198 D199 F200 F210 I213 A214 T267 F298	L198-F269 HydrophobicContact CD1-CD2 3.94Å; L198-F269 HydrophobicContact CD1-CE2 3.66Å; D199-F269 PolarHBondContact O-N 3.35Å; F200-F269 VanDerWaalsContact C-C 3.49Å; F200-F269 VanDerWaalsContact CA-CA 3.47Å; F200-F269 WeakPolarHBondContact CA-O 3.41Å; F200-F269 WeakPolarHBondContact CB-O 3.08Å; F200-F269 HydrophobicContact CD1-CB 4.11Å; F200-F269 WeakPolarHBondContact CD1-O 3.5Å; F200-F269 WeakPolarHBondContact CE1-O 3.23Å; F200-F269 WeakPolarHBondContact CG-O 3.27Å; F210-F269 HydrophobicContact CB-CE1 4.19Å; F210-F269 HydrophobicContact CB-CZ 4.31Å; F210-F269 AromaticContact CD1-CE1 3.71Å; F210-F269 HydrophobicContact CD1-CE1 3.71Å; F210-F269 HydrophobicContact CD1-CE2 4.2Å; F210-F269 AromaticContact CD1-CZ 3.43Å; F210-F269 HydrophobicContact CD1-CZ 3.43Å; F210-F269 VanDerWaalsContact CD1-CZ 3.43Å; F210-F269 HydrophobicContact CE1-CZ 4.18Å; F210-F269 HydrophobicContact CG-CE1 4.43Å; F210-F269 HydrophobicContact CG-CZ 4.23Å; F210-F269 VanDerWaalsContact O-CE1 3.27Å; F210-F269 WeakPolarHBondContact O-CE1 3.41Å; I213-F269 HydrophobicContact CB-CE1 3.92Å; I213-F269 HydrophobicContact CB-CE2 3.9Å; I213-F269 HydrophobicContact CB-CZ 3.42Å; I213-F269 VanDerWaalsContact CB-CZ 3.42Å; I213-F269 HydrophobicContact CD1-CE2 3.87Å; I213-F269 HydrophobicContact CD1-CZ 3.77Å; I213-F269 HydrophobicContact CG1-CZ 4.18Å; I213-F269 HydrophobicContact CG2-CD1 4.41Å; I213-F269 HydrophobicContact CG2-CD2 3.93Å; I213-F269 HydrophobicContact CG2-CE1 3.98Å; I213-F269 HydrophobicContact CG2-CE2 3.43Å; I213-F269 VanDerWaalsContact CG2-CE2 3.43Å; I213-F269 HydrophobicContact CG2-CG 4.38Å; I213-F269 HydrophobicContact CG2-CZ 3.47Å; I213-F269 VanDerWaalsContact CG2-CZ 3.47Å; A214-F269 HydrophobicContact CB-CD1 4.14Å; A214-F269 HydrophobicContact CB-CE1 4.08Å; T267-F269 HydrophobicContact CG2-CE2 3.47Å; T267-F269 VanDerWaalsContact CG2-CE2 3.47Å; T267-F269 HydrophobicContact CG2-CZ 3.66Å; F269-F298 HydrophobicContact CB-CE2 3.68Å; F269-F298 HydrophobicContact CB-CZ 3.73Å; F269-F298 HydrophobicContact CD1-CE2 4.25Å; F269-F298 AromaticContact CD2-CE2 3.39Å; F269-F298 HydrophobicContact CD2-CE2 3.39Å; F269-F298 AromaticContact CD2-CZ 3.39Å; F269-F298 HydrophobicContact CD2-CZ 3.39Å; F269-F298 HydrophobicContact CE2-CE2 4.14Å; F269-F298 HydrophobicContact CE2-CZ 4.31Å; F269-F298 AromaticContact CG-CE2 3.45Å; F269-F298 HydrophobicContact CG-CE2 3.45Å; F269-F298 VanDerWaalsContact CG-CE2 3.45Å; F269-F298 AromaticContact CG-CZ 3.75Å; F269-F298 HydrophobicContact CG-CZ 3.75Å
270	T	90.1	Very high	88.9	Confident	67 Å²	67	37.9 Å²	37.9	41%	0.411	20%	0.197	S	C	.	.			trans	-81	134.8	168.3	-60.2	0	0	0	0	110.8	Y201 E272	Y201-T270 VanDerWaalsContact N-N 3.12Å; T270-E272 WeakPolarHBondContact CG2-OE1 3.2Å
271	L	91.1	Very high	89.2	Confident	51 Å²	51	38.6 Å²	38.6	27%	0.267	20%	0.2	S	C	.	.			trans	-114.6	104.2	179.2	-58.7	174.5	0	0	0	110.8	F200 Y217 I273	F200-L271 HydrophobicContact CE1-CD1 4.11Å; F200-L271 HydrophobicContact CE1-CG 4.42Å; F200-L271 HydrophobicContact CZ-CD1 4.47Å; Y217-L271 HydrophobicContact CD1-CD2 3.86Å; Y217-L271 HydrophobicContact CD2-CD1 4.03Å; Y217-L271 HydrophobicContact CD2-CD2 4.08Å; Y217-L271 HydrophobicContact CE1-CD1 4.38Å; Y217-L271 HydrophobicContact CE1-CD2 3.94Å; Y217-L271 HydrophobicContact CE2-CD1 3.48Å; Y217-L271 VanDerWaalsContact CE2-CD1 3.48Å; Y217-L271 HydrophobicContact CE2-CD2 4.15Å; Y217-L271 HydrophobicContact CE2-CG 4.43Å; Y217-L271 HydrophobicContact CG-CD2 3.91Å; L271-I273 HydrophobicContact CB-CG2 3.82Å; L271-I273 PolarHBondContact O-N 3.43Å
272	E	89.5	Confident	89.6	Confident	90 Å²	90	43.4 Å²	43.4	42%	0.421	24%	0.235	S	C	.	.			trans	-85.3	80.8	176.6	-60	-63.3	164.9	0	0	109.9	M224 W249 T270	M224-E272 WeakPolarHBondContact CE-O 3.46Å; W249-E272 HydrophobicContact CH2-CG 4.01Å; W249-E272 HydrophobicContact CZ3-CG 4.01Å; T270-E272 WeakPolarHBondContact CG2-OE1 3.2Å
273	I	89.4	Confident	90.1	Very high	31 Å²	31	43.3 Å²	43.3	16%	0.159	24%	0.237	C	C	.	.			trans	-90.7	-3.7	-166.5	61.7	173.6	0	0	0	115.1	V101 I105 Y217 M224 L271 F287 N291	V101-I273 HydrophobicContact CB-CD1 4.25Å; V101-I273 HydrophobicContact CB-CG1 4.5Å; V101-I273 HydrophobicContact CG1-CD1 3.78Å; V101-I273 HydrophobicContact CG1-CG1 4.24Å; I105-I273 HydrophobicContact CD1-CD1 3.48Å; I105-I273 VanDerWaalsContact CD1-CD1 3.48Å; Y217-I273 WeakPolarHBondContact OH-CG2 3.34Å; M224-I273 HydrophobicContact CE-CG2 4.25Å; L271-I273 HydrophobicContact CB-CG2 3.82Å; L271-I273 PolarHBondContact O-N 3.43Å; I273-F287 WeakPolarHBondContact O-CD1 3.48Å; I273-N291 WeakPolarHBondContact CG2-OD1 3.43Å
274	S	89.9	Confident	90.6	Very high	30 Å²	30	39 Å²	39	21%	0.21	22%	0.218	C	C	.	.			trans	-155.7	132.6	-178.7	59.5	0	0	0	0	112.3	V101 C276 F287	V101-S274 WeakPolarHBondContact CG2-OG 2.86Å; S274-C276 PolarHBondContact OG-O 3.28Å; S274-F287 VanDerWaalsContact CB-CE1 3.5Å
275	C	89.2	Confident	91.1	Very high	53 Å²	53	45 Å²	45	36%	0.358	24%	0.239	S	C	.	.	S	Bend	trans	-69	-39.6	174.7	-62.7	0	0	0	0	113.4	C232	C232-C275 WeakPolarHBondContact CA-SG 3.2Å; C232-C275 HydrophobicContact CB-CB 3.51Å; C232-C275 WeakPolarHBondContact CB-SG 3.33Å; C232-C275 WeakPolarHBondContact SG-CA 3.49Å; C232-C275 WeakPolarHBondContact SG-CB 3.09Å; C232-C275 CovalentContact SG-SG 2.03Å; C232-C275 PolarHBondContact SG-SG 3.42Å
276	C	92.2	Very high	91.5	Very high	20 Å²	20	48.4 Å²	48.4	14%	0.135	26%	0.258	C	S	.	.	S	Bend	trans	-81	122.5	174.6	-177.3	0	0	0	0	108.8	C151 S274 Y278 P279	C151-C276 WeakPolarHBondContact CA-SG 3.36Å; C151-C276 HydrophobicContact CB-CB 3.72Å; C151-C276 WeakPolarHBondContact CB-SG 3.14Å; C151-C276 WeakPolarHBondContact SG-CB 2.9Å; C151-C276 CovalentContact SG-SG 2.03Å; C151-C276 PolarHBondContact SG-SG 3.18Å; S274-C276 PolarHBondContact OG-O 3.28Å; C276-Y278 VanDerWaalsContact SG-C 3.51Å; C276-P279 HydrophobicContact CB-CB 4.07Å; C276-P279 WeakPolarHBondContact O-CD 3.4Å; C276-P279 WeakPolarHBondContact SG-CA 3.49Å
277	K	93.8	Very high	91.7	Very high	49 Å²	49	50.7 Å²	50.7	21%	0.213	27%	0.268	C	S	.	.	S	Bend	trans	-59.8	-49	179.3	-61.4	-174	-173	81.2	0	111.7	N98 E99 V100 C151 F152 T153	N98-K277 WeakPolarHBondContact ND2-CD 3.26Å; N98-K277 CarbonylContact O-C 3.53Å; N98-K277 WeakPolarHBondContact O-CB 3.35Å; E99-K277 WeakPolarHBondContact CA-O 3.33Å; E99-K277 HydrophobicContact CG-CB 4.34Å; E99-K277 HydrophobicContact CG-CG 4.34Å; V100-K277 PolarHBondContact N-O 3.18Å; V100-K277 VanDerWaalsContact N-O 3.14Å; C151-K277 WeakPolarHBondContact O-CG 3.42Å; C151-K277 PolarHBondContact O-NZ 3.48Å; F152-K277 PolarHBondContact O-NZ 2.76Å; T153-K277 WeakPolarHBondContact O-CD 2.92Å
278	Y	96.6	Very high	92.1	Very high	19 Å²	19	52.4 Å²	52.4	8%	0.075	28%	0.275	C	S	.	.	S	Bend	trans	-128.7	80.2	177.7	-157.2	160.2	0	0	0	111.3	Y34 V100 F143 A146 V147 E148 G149 D150 C276	Y34-Y278 HydrophobicContact CD1-CE2 4.49Å; Y34-Y278 HydrophobicContact CD2-CD2 4.41Å; Y34-Y278 AromaticContact CD2-CE2 3.5Å; Y34-Y278 HydrophobicContact CD2-CE2 3.5Å; Y34-Y278 HydrophobicContact CE2-CD2 4.12Å; Y34-Y278 AromaticContact CE2-CE2 3.64Å; Y34-Y278 HydrophobicContact CE2-CE2 3.64Å; Y34-Y278 AromaticContact CG-CE2 3.94Å; Y34-Y278 HydrophobicContact CG-CE2 3.94Å; V100-Y278 HydrophobicContact CB-CD2 4.03Å; V100-Y278 HydrophobicContact CB-CE2 4.15Å; V100-Y278 HydrophobicContact CB-CG 4.31Å; V100-Y278 HydrophobicContact CG1-CD2 4.46Å; V100-Y278 HydrophobicContact CG1-CE2 4.07Å; V100-Y278 HydrophobicContact CG2-CD1 3.58Å; V100-Y278 HydrophobicContact CG2-CD2 3.77Å; V100-Y278 HydrophobicContact CG2-CE1 3.74Å; V100-Y278 HydrophobicContact CG2-CE2 3.94Å; V100-Y278 HydrophobicContact CG2-CG 3.59Å; F143-Y278 HydrophobicContact CE2-CE1 4.42Å; A146-Y278 HydrophobicContact CB-CD1 3.75Å; A146-Y278 HydrophobicContact CB-CE1 3.97Å; V147-Y278 VanDerWaalsContact O-CD1 3.28Å; V147-Y278 WeakPolarHBondContact O-CD1 3.19Å; E148-Y278 HydrophobicContact CB-CD2 4.06Å; E148-Y278 HydrophobicContact CB-CE1 4.4Å; E148-Y278 HydrophobicContact CB-CE2 3.68Å; E148-Y278 HydrophobicContact CG-CD2 4.1Å; E148-Y278 HydrophobicContact CG-CE2 3.81Å; G149-Y278 CarbonylContact C-O 3.59Å; G149-Y278 VanDerWaalsContact CA-O 3.25Å; G149-Y278 WeakPolarHBondContact CA-O 3.36Å; G149-Y278 PolarHBondContact N-O 3.33Å; D150-Y278 PolarHBondContact N-O 2.9Å; D150-Y278 PolarHBondContact O-N 3.43Å; C276-Y278 VanDerWaalsContact SG-C 3.51Å
279	P	95.7	Very high	92.5	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.058	30%	0.302	C	S	.	.			trans	-69.5	162.4	178.4	27	-27.6	0	0	0	111.3	Y34 V101 C276 F287	Y34-P279 WeakPolarHBondContact CE2-O 3.5Å; Y34-P279 PolarHBondContact OH-O 3.4Å; V101-P279 HydrophobicContact CG2-CG 3.64Å; C276-P279 HydrophobicContact CB-CB 4.07Å; C276-P279 WeakPolarHBondContact O-CD 3.4Å; C276-P279 WeakPolarHBondContact SG-CA 3.49Å; P279-F287 HydrophobicContact CB-CE2 4.31Å; P279-F287 HydrophobicContact CG-CE2 3.88Å; P279-F287 HydrophobicContact CG-CZ 4.48Å
280	F	96.4	Very high	92.8	Very high	124 Å²	124	57.8 Å²	57.8	54%	0.544	31%	0.307	S	S	.	.			trans	-62.6	142.6	167.6	-69	-68.4	0	0	0	110.5	E148 S282 S283	E148-F280 HydrophobicContact CG-CD1 3.97Å; E148-F280 WeakPolarHBondContact OE1-CA 2.87Å; F280-S282 PolarHBondContact O-N 2.98Å; F280-S282 VanDerWaalsContact O-N 3.13Å; F280-S283 WeakPolarHBondContact O-CB 3.37Å; F280-S283 PolarHBondContact O-N 3.49Å
281	Y	94.9	Very high	93	Very high	16 Å²	16	54.6 Å²	54.6	6%	0.063	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-60.5	-29.2	-176.5	-171	-87.1	0	0	0	112.9	G31 V32 R33 Y34 E104 H108 E148 S283 F284	G31-Y281 WeakPolarHBondContact CA-OH 3.34Å; G31-Y281 PolarHBondContact N-OH 2.9Å; G31-Y281 VanDerWaalsContact N-OH 3.09Å; G31-Y281 WeakPolarHBondContact O-CE1 3.45Å; V32-Y281 WeakPolarHBondContact O-CD1 3.45Å; R33-Y281 VanDerWaalsContact O-CE2 3.28Å; R33-Y281 WeakPolarHBondContact O-CE2 3.26Å; Y34-Y281 AromaticContact CD1-CD2 3.89Å; Y34-Y281 HydrophobicContact CD1-CD2 3.89Å; Y34-Y281 HydrophobicContact CD1-CE2 4.39Å; Y34-Y281 AromaticContact CD2-CD2 3.71Å; Y34-Y281 HydrophobicContact CD2-CD2 3.71Å; Y34-Y281 HydrophobicContact CD2-CG 4.24Å; Y34-Y281 HydrophobicContact CE1-CD2 4.02Å; Y34-Y281 VanDerWaalsContact CE2-CA 3.49Å; Y34-Y281 AromaticContact CE2-CD2 3.84Å; Y34-Y281 HydrophobicContact CE2-CD2 3.84Å; Y34-Y281 HydrophobicContact CE2-CG 4.24Å; Y34-Y281 AromaticContact CG-CD2 3.75Å; Y34-Y281 HydrophobicContact CG-CD2 3.75Å; Y34-Y281 AromaticContact CZ-CD2 4Å; E104-Y281 HydrophobicContact CG-CE2 3.98Å; H108-Y281 PolarHBondContact CE1-OH 2.91Å; H108-Y281 PolarHBondContact NE2-OH 2.68Å; E148-Y281 PolarHBondContact OE1-N 2.91Å; Y281-S283 PolarHBondContact O-N 2.96Å; Y281-F284 HydrophobicContact CD2-CB 4.3Å; Y281-F284 HydrophobicContact CE2-CB 4.38Å; Y281-F284 HydrophobicContact CE2-CD1 4.41Å; Y281-F284 HydrophobicContact CE2-CG 4.36Å; Y281-F284 HydrophobicContact CG-CB 4.48Å; Y281-F284 WeakPolarHBondContact O-CB 3.49Å; Y281-F284 PolarHBondContact O-N 3.22Å
282	S	94	Very high	93.2	Very high	109 Å²	109	53.3 Å²	53.3	76%	0.762	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-55.4	-25.1	174	52.8	0	0	0	0	113.3	F280	F280-S282 PolarHBondContact O-N 2.98Å; F280-S282 VanDerWaalsContact O-N 3.13Å
283	S	92.7	Very high	93.5	Very high	58 Å²	58	53.1 Å²	53.1	41%	0.406	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-93	2.7	176.5	-57.5	0	0	0	0	113.7	F280 Y281 P286 F287	F280-S283 WeakPolarHBondContact O-CB 3.37Å; F280-S283 PolarHBondContact O-N 3.49Å; Y281-S283 PolarHBondContact O-N 2.96Å; S283-P286 WeakPolarHBondContact O-CD 3.4Å; S283-F287 VanDerWaalsContact O-CD2 3.23Å; S283-F287 WeakPolarHBondContact O-CD2 3.16Å; S283-F287 WeakPolarHBondContact O-CE2 3.32Å
284	F	93.5	Very high	93.8	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-68.3	-39.9	-175.4	177.1	-102.8	0	0	0	113.3	Y34 V101 E104 I105 H108 Y281 F287 W288	Y34-F284 HydrophobicContact CE1-CD2 4.39Å; V101-F284 HydrophobicContact CG1-CE2 4.38Å; E104-F284 HydrophobicContact CB-CD2 4.17Å; E104-F284 HydrophobicContact CB-CE2 3.55Å; E104-F284 HydrophobicContact CB-CZ 3.88Å; E104-F284 HydrophobicContact CG-CD1 4.42Å; E104-F284 HydrophobicContact CG-CD2 4.07Å; E104-F284 HydrophobicContact CG-CE1 4.07Å; E104-F284 HydrophobicContact CG-CE2 3.67Å; E104-F284 HydrophobicContact CG-CG 4.43Å; E104-F284 HydrophobicContact CG-CZ 3.66Å; I105-F284 HydrophobicContact CG1-CE2 3.87Å; I105-F284 HydrophobicContact CG1-CZ 3.85Å; H108-F284 AromaticContact CD2-CE1 3.81Å; H108-F284 AromaticContact CE1-CD1 3.94Å; H108-F284 AromaticContact CE1-CE1 3.24Å; H108-F284 WeakPolarHBondContact CE1-CE1 3.27Å; H108-F284 AromaticContact CE1-CZ 3.85Å; H108-F284 AromaticContact CG-CE1 3.81Å; H108-F284 AromaticContact ND1-CE1 3.46Å; H108-F284 WeakPolarHBondContact ND1-CE1 3.44Å; H108-F284 AromaticContact ND1-CZ 3.66Å; H108-F284 AromaticContact NE2-CE1 3.45Å; H108-F284 WeakPolarHBondContact NE2-CE1 3.2Å; Y281-F284 HydrophobicContact CD2-CB 4.3Å; Y281-F284 HydrophobicContact CE2-CB 4.38Å; Y281-F284 HydrophobicContact CE2-CD1 4.41Å; Y281-F284 HydrophobicContact CE2-CG 4.36Å; Y281-F284 HydrophobicContact CG-CB 4.48Å; Y281-F284 WeakPolarHBondContact O-CB 3.49Å; Y281-F284 PolarHBondContact O-N 3.22Å; F284-F287 WeakPolarHBondContact O-CB 3.22Å; F284-F287 PolarHBondContact O-N 3.46Å; F284-W288 HydrophobicContact CD1-CB 4.45Å; F284-W288 HydrophobicContact CE1-CB 3.8Å; F284-W288 HydrophobicContact CZ-CB 4.09Å; F284-W288 PolarHBondContact O-N 3.27Å; F284-W288 VanDerWaalsContact O-N 3.13Å
285	R	93	Very high	94.2	Very high	190 Å²	190	50.8 Å²	50.8	72%	0.717	27%	0.265	S	S	*	.	H	α-helix	trans	-55.8	-45.1	-171.2	178.2	-178.7	-176.8	94.6	1.3	113.8	F287 W288 V289	R285-F287 VanDerWaalsContact C-N 3.32Å; R285-F287 PolarHBondContact O-N 3.06Å; R285-W288 PolarHBondContact O-N 3.17Å; R285-V289 HydrophobicContact CG-CG2 4.34Å; R285-V289 WeakPolarHBondContact O-CG2 3.35Å; R285-V289 PolarHBondContact O-N 2.73Å
286	P	91.4	Very high	94.6	Very high	87 Å²	87	48.3 Å²	48.3	57%	0.565	25%	0.248	S	C	*	.	H	α-helix	trans	-54.4	-43.3	173	-29	35.6	0	0	0	113.9	S283 W288 V289 D290	S283-P286 WeakPolarHBondContact O-CD 3.4Å; P286-W288 PolarHBondContact O-N 3.18Å; P286-V289 PolarHBondContact O-N 3.27Å; P286-D290 WeakPolarHBondContact O-CB 3.43Å; P286-D290 PolarHBondContact O-N 3.36Å
287	F	92.8	Very high	94.7	Very high	48 Å²	48	50.3 Å²	50.3	21%	0.211	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-45.4	176.3	-61.4	-68.5	0	0	0	111.2	V101 I273 S274 P279 S283 F284 R285 V289 D290 N291	V101-F287 HydrophobicContact CG1-CB 3.66Å; V101-F287 HydrophobicContact CG1-CD1 4.29Å; V101-F287 HydrophobicContact CG1-CD2 4.18Å; V101-F287 HydrophobicContact CG1-CG 3.8Å; V101-F287 HydrophobicContact CG2-CD2 4.36Å; V101-F287 HydrophobicContact CG2-CE2 4.47Å; I273-F287 WeakPolarHBondContact O-CD1 3.48Å; S274-F287 VanDerWaalsContact CB-CE1 3.5Å; P279-F287 HydrophobicContact CB-CE2 4.31Å; P279-F287 HydrophobicContact CG-CE2 3.88Å; P279-F287 HydrophobicContact CG-CZ 4.48Å; S283-F287 VanDerWaalsContact O-CD2 3.23Å; S283-F287 WeakPolarHBondContact O-CD2 3.16Å; S283-F287 WeakPolarHBondContact O-CE2 3.32Å; F284-F287 WeakPolarHBondContact O-CB 3.22Å; F284-F287 PolarHBondContact O-N 3.46Å; R285-F287 VanDerWaalsContact C-N 3.32Å; R285-F287 PolarHBondContact O-N 3.06Å; F287-V289 PolarHBondContact O-N 3.39Å; F287-D290 PolarHBondContact O-N 3.46Å; F287-N291 WeakPolarHBondContact O-CB 3.45Å; F287-N291 PolarHBondContact O-N 3.37Å; F287-N291 VanDerWaalsContact O-N 3.13Å; F287-N291 PolarHBondContact O-ND2 2.78Å
288	W	94.3	Very high	94.8	Very high	38 Å²	38	48 Å²	48	14%	0.144	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-47.6	176.5	167.7	-116.2	0	0	0	112.6	I105 H108 L109 H112 F284 R285 P286 N291 L292	I105-W288 HydrophobicContact CG1-CE3 4.46Å; I105-W288 HydrophobicContact CG2-CE3 4.29Å; I105-W288 HydrophobicContact CG2-CZ3 4.28Å; H108-W288 HydrophobicContact CB-CD2 4.01Å; H108-W288 HydrophobicContact CB-CE3 3.81Å; H108-W288 HydrophobicContact CB-CH2 4.16Å; H108-W288 HydrophobicContact CB-CZ2 4.37Å; H108-W288 HydrophobicContact CB-CZ3 3.89Å; L109-W288 HydrophobicContact CB-CH2 4.3Å; L109-W288 HydrophobicContact CB-CZ3 4.14Å; L109-W288 HydrophobicContact CD1-CH2 4.36Å; H112-W288 HydrophobicContact CB-CH2 4.04Å; H112-W288 HydrophobicContact CB-CZ2 3.92Å; F284-W288 HydrophobicContact CD1-CB 4.45Å; F284-W288 HydrophobicContact CE1-CB 3.8Å; F284-W288 HydrophobicContact CZ-CB 4.09Å; F284-W288 PolarHBondContact O-N 3.27Å; F284-W288 VanDerWaalsContact O-N 3.13Å; R285-W288 PolarHBondContact O-N 3.17Å; P286-W288 PolarHBondContact O-N 3.18Å; W288-N291 PolarHBondContact O-N 3.07Å; W288-L292 HydrophobicContact CH2-CB 4.32Å; W288-L292 HydrophobicContact CH2-CD1 3.67Å; W288-L292 HydrophobicContact CH2-CD2 4.41Å; W288-L292 HydrophobicContact CH2-CG 4.34Å; W288-L292 HydrophobicContact CZ2-CB 4.33Å; W288-L292 HydrophobicContact CZ2-CD1 4Å; W288-L292 HydrophobicContact CZ2-CD2 3.9Å; W288-L292 HydrophobicContact CZ2-CG 4.29Å; W288-L292 HydrophobicContact CZ3-CD1 4.4Å; W288-L292 PolarHBondContact O-N 2.83Å; W288-L292 VanDerWaalsContact O-N 3.13Å
289	V	94.2	Very high	94.7	Very high	93 Å²	93	47.1 Å²	47.1	56%	0.564	24%	0.241	S	C	*	.	H	α-helix	trans	-63.8	-44.6	-178.7	172.2	0	0	0	0	111.4	R285 P286 F287 N291	R285-V289 HydrophobicContact CG-CG2 4.34Å; R285-V289 WeakPolarHBondContact O-CG2 3.35Å; R285-V289 PolarHBondContact O-N 2.73Å; P286-V289 PolarHBondContact O-N 3.27Å; F287-V289 PolarHBondContact O-N 3.39Å; V289-N291 VanDerWaalsContact C-N 3.27Å; V289-N291 PolarHBondContact O-N 3.47Å
290	D	93.5	Very high	94.7	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-30.1	-179.1	-172.1	61.1	0	0	0	112.4	S221 E222 T223 P286 F287 P294	S221-D290 PolarHBondContact OG-OD1 3.14Å; S221-D290 PolarHBondContact OG-OD2 2.53Å; E222-D290 WeakPolarHBondContact CB-OD1 3.4Å; E222-D290 PolarHBondContact N-OD1 3.41Å; T223-D290 PolarHBondContact N-OD1 3.1Å; T223-D290 PolarHBondContact OG1-OD1 2.85Å; T223-D290 PolarHBondContact OG1-OD2 3.1Å; P286-D290 WeakPolarHBondContact O-CB 3.43Å; P286-D290 PolarHBondContact O-N 3.36Å; F287-D290 PolarHBondContact O-N 3.46Å; D290-P294 VanDerWaalsContact O-CD 3.22Å; D290-P294 WeakPolarHBondContact O-CD 3.44Å; D290-P294 WeakPolarHBondContact O-CG 3.42Å
291	N	94.6	Very high	94.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-99.4	-18.5	-170.5	-71.9	-87	0	0	0	114.7	I105 Y217 I273 F287 W288 V289 P294 I295	I105-N291 HydrophobicContact CD1-CB 4Å; Y217-N291 PolarHBondContact OH-OD1 2.91Å; I273-N291 WeakPolarHBondContact CG2-OD1 3.43Å; F287-N291 WeakPolarHBondContact O-CB 3.45Å; F287-N291 PolarHBondContact O-N 3.37Å; F287-N291 VanDerWaalsContact O-N 3.13Å; F287-N291 PolarHBondContact O-ND2 2.78Å; W288-N291 PolarHBondContact O-N 3.07Å; V289-N291 VanDerWaalsContact C-N 3.27Å; V289-N291 PolarHBondContact O-N 3.47Å; N291-P294 WeakPolarHBondContact O-CD 3.09Å; N291-I295 HydrophobicContact CB-CD1 4.08Å; N291-I295 WeakPolarHBondContact O-CB 3.37Å; N291-I295 WeakPolarHBondContact O-CD1 3.36Å; N291-I295 WeakPolarHBondContact O-CG1 3.01Å; N291-I295 PolarHBondContact O-N 3.22Å
292	L	95.9	Very high	94.4	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-56.1	-177.1	172	57.6	0	0	0	112.9	L109 W288 I295 L296	L109-L292 HydrophobicContact CD1-CD1 4.28Å; W288-L292 HydrophobicContact CH2-CB 4.32Å; W288-L292 HydrophobicContact CH2-CD1 3.67Å; W288-L292 HydrophobicContact CH2-CD2 4.41Å; W288-L292 HydrophobicContact CH2-CG 4.34Å; W288-L292 HydrophobicContact CZ2-CB 4.33Å; W288-L292 HydrophobicContact CZ2-CD1 4Å; W288-L292 HydrophobicContact CZ2-CD2 3.9Å; W288-L292 HydrophobicContact CZ2-CG 4.29Å; W288-L292 HydrophobicContact CZ3-CD1 4.4Å; W288-L292 PolarHBondContact O-N 2.83Å; W288-L292 VanDerWaalsContact O-N 3.13Å; L292-I295 PolarHBondContact O-N 3.28Å; L292-L296 HydrophobicContact CD1-CD1 4.14Å; L292-L296 HydrophobicContact CD1-CG 4.27Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 2.96Å
293	Q	96	Very high	94.4	Very high	86 Å²	86	44.4 Å²	44.4	40%	0.402	22%	0.215	S	C	.	.	H	α-helix	trans	-65	-44.3	-179.6	-71.4	-61.7	-42.1	0	0	112.8	I295 L296 K297	Q293-I295 VanDerWaalsContact C-N 3.32Å; Q293-I295 PolarHBondContact O-N 2.83Å; Q293-L296 PolarHBondContact O-N 3.27Å; Q293-K297 WeakPolarHBondContact O-CB 3.49Å; Q293-K297 WeakPolarHBondContact O-CG 3.38Å; Q293-K297 PolarHBondContact O-N 3.44Å
294	P	96.4	Very high	94.4	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-52.1	-45.8	170.8	-30	34.4	0	0	0	114.4	Y217 S220 D290 N291 L296 K297 F298	Y217-P294 HydrophobicContact CD1-CB 4Å; Y217-P294 HydrophobicContact CD2-CB 3.63Å; Y217-P294 HydrophobicContact CE1-CB 3.94Å; Y217-P294 HydrophobicContact CE2-CB 3.57Å; Y217-P294 HydrophobicContact CG-CB 3.86Å; S220-P294 VanDerWaalsContact C-CG 3.5Å; S220-P294 WeakPolarHBondContact O-CG 3.48Å; D290-P294 VanDerWaalsContact O-CD 3.22Å; D290-P294 WeakPolarHBondContact O-CD 3.44Å; D290-P294 WeakPolarHBondContact O-CG 3.42Å; N291-P294 WeakPolarHBondContact O-CD 3.09Å; P294-L296 PolarHBondContact O-N 3.08Å; P294-K297 PolarHBondContact O-N 3.46Å; P294-F298 WeakPolarHBondContact O-CB 3.36Å; P294-F298 PolarHBondContact O-N 2.83Å
295	I	96.9	Very high	94.4	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.062	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-45.8	-179.6	-73.4	166.2	0	0	0	110.9	F91 I105 L109 Y217 N291 L292 Q293 K297 F298 W299	F91-I295 HydrophobicContact CD2-CG2 4.42Å; F91-I295 HydrophobicContact CE2-CG2 3.59Å; F91-I295 HydrophobicContact CZ-CG2 4.09Å; I105-I295 HydrophobicContact CG2-CD1 3.54Å; L109-I295 HydrophobicContact CD1-CG2 4.37Å; L109-I295 HydrophobicContact CD2-CG2 3.83Å; Y217-I295 HydrophobicContact CE2-CG1 3.86Å; N291-I295 HydrophobicContact CB-CD1 4.08Å; N291-I295 WeakPolarHBondContact O-CB 3.37Å; N291-I295 WeakPolarHBondContact O-CD1 3.36Å; N291-I295 WeakPolarHBondContact O-CG1 3.01Å; N291-I295 PolarHBondContact O-N 3.22Å; L292-I295 PolarHBondContact O-N 3.28Å; Q293-I295 VanDerWaalsContact C-N 3.32Å; Q293-I295 PolarHBondContact O-N 2.83Å; I295-K297 VanDerWaalsContact C-N 3.34Å; I295-K297 PolarHBondContact O-N 2.82Å; I295-F298 PolarHBondContact O-N 3.26Å; I295-W299 WeakPolarHBondContact O-CB 3.25Å; I295-W299 PolarHBondContact O-N 2.73Å
296	L	97.1	Very high	94.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-40.6	178.5	-62.6	178.9	0	0	0	111.6	L113 L122 I123 L126 L292 Q293 P294 W299 E300	L113-L296 HydrophobicContact CD2-CD2 4.21Å; L122-L296 HydrophobicContact CD2-CB 3.89Å; I123-L296 HydrophobicContact CD1-CD1 4.06Å; I123-L296 HydrophobicContact CG1-CD1 3.83Å; I123-L296 HydrophobicContact CG1-CD2 3.9Å; L126-L296 HydrophobicContact CD1-CB 4.22Å; L126-L296 HydrophobicContact CD1-CD2 4.05Å; L292-L296 HydrophobicContact CD1-CD1 4.14Å; L292-L296 HydrophobicContact CD1-CG 4.27Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 2.96Å; Q293-L296 PolarHBondContact O-N 3.27Å; P294-L296 PolarHBondContact O-N 3.08Å; L296-W299 HydrophobicContact CD2-CE3 4.25Å; L296-W299 PolarHBondContact O-N 3.37Å; L296-E300 PolarHBondContact O-N 3.13Å
297	K	95.6	Very high	94.5	Very high	62 Å²	62	37.9 Å²	37.9	27%	0.27	19%	0.187	S	C	.	.	H	α-helix	trans	-70.6	-32.9	178.3	-72.3	-68.4	168.9	-165.3	0	113.4	Q216 Q293 P294 I295 E300	Q216-K297 HydrophobicContact CG-CB 3.95Å; Q216-K297 WeakPolarHBondContact CG-O 3.01Å; Q293-K297 WeakPolarHBondContact O-CB 3.49Å; Q293-K297 WeakPolarHBondContact O-CG 3.38Å; Q293-K297 PolarHBondContact O-N 3.44Å; P294-K297 PolarHBondContact O-N 3.46Å; I295-K297 VanDerWaalsContact C-N 3.34Å; I295-K297 PolarHBondContact O-N 2.82Å; K297-E300 WeakPolarHBondContact CD-OE2 3.38Å; K297-E300 IonicContact NZ-OE2 3.86Å; K297-E300 PolarHBondContact NZ-OE2 3.36Å; K297-E300 WeakPolarHBondContact O-CB 3.49Å
298	F	94.6	Very high	94.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-68.2	-46.7	171.4	175.7	-90.9	0	0	0	111.5	F91 L198 F200 I213 Y217 F269 P294 I295 E300 R301	F91-F298 AromaticContact CE1-CD1 3.85Å; F91-F298 HydrophobicContact CE1-CD1 3.85Å; F91-F298 AromaticContact CE1-CE1 3.76Å; F91-F298 HydrophobicContact CE1-CE1 3.76Å; F91-F298 HydrophobicContact CZ-CD1 4.17Å; L198-F298 HydrophobicContact CD1-CZ 4.24Å; L198-F298 HydrophobicContact CD2-CD1 4.23Å; L198-F298 HydrophobicContact CD2-CE1 3.79Å; L198-F298 HydrophobicContact CD2-CZ 4.18Å; L198-F298 HydrophobicContact CG-CE1 4.12Å; L198-F298 HydrophobicContact CG-CZ 4.21Å; F200-F298 HydrophobicContact CE1-CE1 4.33Å; F200-F298 HydrophobicContact CE1-CZ 4.32Å; I213-F298 HydrophobicContact CG2-CD2 3.54Å; I213-F298 HydrophobicContact CG2-CE2 3.38Å; I213-F298 HydrophobicContact CG2-CZ 4.29Å; Y217-F298 HydrophobicContact CD2-CB 3.79Å; Y217-F298 HydrophobicContact CD2-CD2 4.27Å; Y217-F298 HydrophobicContact CD2-CG 4.17Å; F269-F298 HydrophobicContact CB-CE2 3.68Å; F269-F298 HydrophobicContact CB-CZ 3.73Å; F269-F298 HydrophobicContact CD1-CE2 4.25Å; F269-F298 AromaticContact CD2-CE2 3.39Å; F269-F298 HydrophobicContact CD2-CE2 3.39Å; F269-F298 AromaticContact CD2-CZ 3.39Å; F269-F298 HydrophobicContact CD2-CZ 3.39Å; F269-F298 HydrophobicContact CE2-CE2 4.14Å; F269-F298 HydrophobicContact CE2-CZ 4.31Å; F269-F298 AromaticContact CG-CE2 3.45Å; F269-F298 HydrophobicContact CG-CE2 3.45Å; F269-F298 VanDerWaalsContact CG-CE2 3.45Å; F269-F298 AromaticContact CG-CZ 3.75Å; F269-F298 HydrophobicContact CG-CZ 3.75Å; P294-F298 WeakPolarHBondContact O-CB 3.36Å; P294-F298 PolarHBondContact O-N 2.83Å; I295-F298 PolarHBondContact O-N 3.26Å; F298-E300 VanDerWaalsContact C-N 3.26Å; F298-E300 PolarHBondContact O-N 2.8Å; F298-R301 WeakPolarHBondContact O-CB 3.46Å; F298-R301 PolarHBondContact O-N 3.21Å
299	W	95.6	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56	-41.6	175.2	-174.8	1.3	0	0	0	111.5	F91 L113 L126 M127 T130 L132 I295 L296 R301 A302	F91-W299 HydrophobicContact CZ-CB 4.12Å; F91-W299 HydrophobicContact CZ-CG 4.48Å; L113-W299 HydrophobicContact CD1-CH2 4.28Å; L113-W299 HydrophobicContact CD1-CZ3 3.9Å; L113-W299 HydrophobicContact CD2-CZ3 3.76Å; L126-W299 HydrophobicContact CB-CD2 3.95Å; L126-W299 HydrophobicContact CB-CE3 3.99Å; L126-W299 HydrophobicContact CB-CH2 3.86Å; L126-W299 HydrophobicContact CB-CZ2 3.82Å; L126-W299 HydrophobicContact CB-CZ3 3.94Å; L126-W299 HydrophobicContact CD1-CB 4.29Å; L126-W299 HydrophobicContact CD1-CD2 3.88Å; L126-W299 HydrophobicContact CD1-CE3 3.68Å; L126-W299 HydrophobicContact CD1-CG 4.18Å; L126-W299 HydrophobicContact CD1-CZ3 4.25Å; L126-W299 HydrophobicContact CD2-CB 4.28Å; L126-W299 HydrophobicContact CD2-CD2 4.03Å; L126-W299 HydrophobicContact CD2-CG 3.86Å; L126-W299 HydrophobicContact CG-CD2 4.17Å; L126-W299 HydrophobicContact CG-CE3 4.3Å; L126-W299 HydrophobicContact CG-CG 4.46Å; M127-W299 HydrophobicContact CG-CH2 3.99Å; T130-W299 WeakPolarHBondContact OG1-CZ2 3.28Å; T130-W299 PolarHBondContact OG1-NE1 3.24Å; L132-W299 HydrophobicContact CB-CH2 3.82Å; L132-W299 HydrophobicContact CB-CZ2 3.56Å; L132-W299 HydrophobicContact CD2-CE3 4.11Å; L132-W299 HydrophobicContact CD2-CH2 3.92Å; L132-W299 HydrophobicContact CD2-CZ2 4.32Å; L132-W299 HydrophobicContact CD2-CZ3 3.8Å; L132-W299 HydrophobicContact CG-CH2 4.48Å; L132-W299 HydrophobicContact CG-CZ2 4.45Å; I295-W299 WeakPolarHBondContact O-CB 3.25Å; I295-W299 PolarHBondContact O-N 2.73Å; L296-W299 HydrophobicContact CD2-CE3 4.25Å; L296-W299 PolarHBondContact O-N 3.37Å; W299-R301 PolarHBondContact O-N 3.43Å; W299-A302 WeakPolarHBondContact O-CB 3.42Å; W299-A302 PolarHBondContact O-N 3.13Å
300	E	95.2	Very high	94.7	Very high	57 Å²	57	33.2 Å²	33.2	27%	0.266	17%	0.17	S	C	.	.	H	α-helix	trans	-51.8	-29.9	177	-172.8	170.1	-147.2	0	0	113.3	L126 L296 K297 F298 A302 K303	L126-E300 HydrophobicContact CD2-CB 4.22Å; L296-E300 PolarHBondContact O-N 3.13Å; K297-E300 WeakPolarHBondContact CD-OE2 3.38Å; K297-E300 IonicContact NZ-OE2 3.86Å; K297-E300 PolarHBondContact NZ-OE2 3.36Å; K297-E300 WeakPolarHBondContact O-CB 3.49Å; F298-E300 VanDerWaalsContact C-N 3.26Å; F298-E300 PolarHBondContact O-N 2.8Å; E300-A302 VanDerWaalsContact C-N 3.28Å; E300-A302 PolarHBondContact O-N 3.22Å; E300-K303 WeakPolarHBondContact O-CB 3.33Å; E300-K303 PolarHBondContact O-N 3.47Å; E300-K303 VanDerWaalsContact O-N 3.15Å
301	R	93.1	Very high	94.8	Very high	53 Å²	53	37.6 Å²	37.6	20%	0.2	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-67	-24.5	179	-64.4	-70.3	173.9	-168.9	-2.6	114.2	N212 I213 Q216 F298 W299 K303 T304	N212-R301 PolarHBondContact OD1-NE 2.94Å; N212-R301 PolarHBondContact OD1-NH1 3.42Å; I213-R301 HydrophobicContact CB-CG 4.44Å; I213-R301 HydrophobicContact CD1-CB 4.36Å; I213-R301 HydrophobicContact CG1-CB 3.88Å; I213-R301 HydrophobicContact CG1-CG 3.94Å; I213-R301 HydrophobicContact CG2-CB 4.31Å; I213-R301 HydrophobicContact CG2-CG 4.3Å; Q216-R301 HydrophobicContact CB-CG 4.42Å; Q216-R301 HydrophobicContact CG-CG 4.26Å; F298-R301 WeakPolarHBondContact O-CB 3.46Å; F298-R301 PolarHBondContact O-N 3.21Å; W299-R301 PolarHBondContact O-N 3.43Å; R301-K303 PolarHBondContact O-N 3.13Å; R301-K303 VanDerWaalsContact O-N 3.1Å; R301-T304 PolarHBondContact O-N 3.11Å; R301-T304 PolarHBondContact O-OG1 3.3Å
302	A	92.7	Very high	94.6	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-62.6	-16.1	174.1	0	0	0	0	0	113.5	V89 L198 W299 E300	V89-A302 HydrophobicContact CG2-CB 3.31Å; L198-A302 HydrophobicContact CB-CB 4.29Å; L198-A302 HydrophobicContact CD2-CB 3.95Å; W299-A302 WeakPolarHBondContact O-CB 3.42Å; W299-A302 PolarHBondContact O-N 3.13Å; E300-A302 VanDerWaalsContact C-N 3.28Å; E300-A302 PolarHBondContact O-N 3.22Å
303	K	92.7	Very high	94.3	Very high	86 Å²	86	45.7 Å²	45.7	37%	0.374	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-89.8	-5.1	177.9	-61.1	170	60.2	178.3	0	113.3	L126 S129 T130 E300 R301	L126-K303 HydrophobicContact CD2-CD 4.04Å; S129-K303 WeakPolarHBondContact OG-CD 3.41Å; S129-K303 WeakPolarHBondContact OG-CE 3.29Å; S129-K303 PolarHBondContact OG-NZ 3.43Å; T130-K303 HydrophobicContact CG2-CD 4.16Å; T130-K303 HydrophobicContact CG2-CG 3.72Å; E300-K303 WeakPolarHBondContact O-CB 3.33Å; E300-K303 PolarHBondContact O-N 3.47Å; E300-K303 VanDerWaalsContact O-N 3.15Å; R301-K303 PolarHBondContact O-N 3.13Å; R301-K303 VanDerWaalsContact O-N 3.1Å
304	T	93.4	Very high	94.1	Very high	49 Å²	49	48.6 Å²	48.6	30%	0.301	23%	0.233	S	C	.	.	S	Bend	trans	-95	163.5	-177.9	66.3	0	0	0	0	111.6	R301 I343	R301-T304 PolarHBondContact O-N 3.11Å; R301-T304 PolarHBondContact O-OG1 3.3Å; T304-I343 WeakPolarHBondContact OG1-CG2 3.27Å
305	G	93.3	Very high	94	Very high	24 Å²	24	52.3 Å²	52.3	25%	0.247	26%	0.256	C	S	.	.	S	Bend	trans	97.3	-143.9	178.4	0	0	0	0	0	114.3	R342 L344	G305-R342 CarbonylContact C-O 3.59Å; G305-R342 WeakPolarHBondContact CA-O 3.46Å; G305-L344 VanDerWaalsContact CA-N 3.32Å; G305-L344 WeakPolarHBondContact CA-O 3.42Å; G305-L344 PolarHBondContact N-O 2.03Å
306	I	93.4	Very high	93.9	Very high	22 Å²	22	57 Å²	57	11%	0.113	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.9	177.1	61	174.2	0	0	0	110.8	I325 F332 F340 Y341 R342 L344 L351 I367	I306-I325 HydrophobicContact CD1-CD1 3.79Å; I306-F332 HydrophobicContact CD1-CZ 4.32Å; I306-F340 HydrophobicContact CD1-CE2 4.15Å; I306-F340 HydrophobicContact CG1-CE2 4.24Å; I306-Y341 CarbonylContact O-C 3.53Å; I306-Y341 WeakPolarHBondContact O-CA 3.24Å; I306-R342 HydrophobicContact CG1-CB 3.97Å; I306-R342 PolarHBondContact N-O 3.15Å; I306-R342 PolarHBondContact O-N 3.27Å; I306-L344 HydrophobicContact CD1-CD1 4.16Å; I306-L344 HydrophobicContact CG1-CD1 4.05Å; I306-L344 HydrophobicContact CG2-CD1 4.36Å; I306-L351 HydrophobicContact CD1-CD1 4.13Å; I306-L351 HydrophobicContact CD1-CD2 4.12Å; I306-I367 HydrophobicContact CG2-CD1 3.87Å; I306-I367 HydrophobicContact CG2-CG1 4.16Å
307	K	93.6	Very high	93.7	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.2	168.2	64.1	178.5	178.7	-179.2	0	110.1	L85 F340 Y341	L85-K307 HydrophobicContact CB-CD 4.42Å; L85-K307 HydrophobicContact CD2-CB 4.36Å; L85-K307 HydrophobicContact CD2-CD 4.38Å; L85-K307 HydrophobicContact CD2-CG 4.26Å; L85-K307 PolarHBondContact O-NZ 3.4Å; K307-F340 WeakPolarHBondContact CA-O 3.28Å; K307-F340 WeakPolarHBondContact CB-O 3.45Å; K307-Y341 HydrophobicContact CB-CD1 3.43Å; K307-Y341 VanDerWaalsContact CB-CD1 3.43Å; K307-Y341 HydrophobicContact CB-CE1 3.79Å; K307-Y341 HydrophobicContact CB-CG 4.22Å; K307-Y341 HydrophobicContact CD-CD1 3.99Å; K307-Y341 HydrophobicContact CD-CE1 3.66Å; K307-Y341 HydrophobicContact CG-CD1 4.35Å; K307-Y341 HydrophobicContact CG-CE1 4.37Å
308	G	95	Very high	93.7	Very high	14 Å²	14	61.1 Å²	61.1	14%	0.144	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-176.8	-179.5	0	0	0	0	0	112.7	E339 F340	G308-E339 CarbonylContact O-C 3.54Å; G308-E339 VanDerWaalsContact O-CA 3.28Å; G308-E339 WeakPolarHBondContact O-CA 3.45Å; G308-F340 VanDerWaalsContact C-CE1 3.47Å; G308-F340 PolarHBondContact N-O 2.99Å; G308-F340 VanDerWaalsContact N-O 3.08Å; G308-F340 WeakPolarHBondContact O-CD1 3.07Å; G308-F340 PolarHBondContact O-N 3.25Å
309	V	95.8	Very high	93.6	Very high	46 Å²	46	62.2 Å²	62.2	28%	0.279	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.5	175	-173.8	0	0	0	0	108.5	T84 L85 R311 N337 G338 E339	T84-V309 HydrophobicContact CG2-CG2 3.64Å; L85-V309 HydrophobicContact CD1-CG2 4.48Å; L85-V309 HydrophobicContact CD2-CG2 4.09Å; L85-V309 HydrophobicContact CG-CG2 4.26Å; V309-R311 HydrophobicContact CG1-CG 3.91Å; V309-N337 VanDerWaalsContact CG1-O 3.31Å; V309-N337 WeakPolarHBondContact CG1-O 3.31Å; V309-G338 CarbonylContact C-O 3.54Å; V309-G338 VanDerWaalsContact CA-O 3.3Å; V309-G338 WeakPolarHBondContact CA-O 3.19Å; V309-E339 HydrophobicContact CG2-CB 4.47Å
310	V	94.6	Very high	93.5	Very high	22 Å²	22	66.6 Å²	66.6	13%	0.133	34%	0.339	C	S	.	.			trans	-91.2	123.6	172	-170.4	0	0	0	0	108	V319 A321 M323 G338 F340 V353	V310-V319 HydrophobicContact CG1-CB 4.28Å; V310-V319 PolarHBondContact O-N 2.91Å; V310-A321 HydrophobicContact CB-CB 4.3Å; V310-A321 HydrophobicContact CG1-CB 3.97Å; V310-A321 HydrophobicContact CG2-CB 4.12Å; V310-M323 HydrophobicContact CG2-SD 4.46Å; V310-G338 PolarHBondContact N-O 3.41Å; V310-G338 WeakPolarHBondContact O-CA 3.27Å; V310-F340 HydrophobicContact CG2-CD1 3.86Å; V310-F340 HydrophobicContact CG2-CE1 3.98Å; V310-V353 HydrophobicContact CG1-CG1 4.15Å; V310-V353 HydrophobicContact CG2-CG1 4.29Å
311	R	94.6	Very high	93.4	Very high	118 Å²	118	63.9 Å²	63.9	45%	0.445	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-128.8	148.1	178.7	-63.8	-176.7	177.5	-78.7	-4	110.3	V309 Q316 D317	V309-R311 HydrophobicContact CG1-CG 3.91Å; R311-Q316 WeakPolarHBondContact CD-O 3.35Å; R311-Q316 PolarHBondContact NH1-O 2.62Å; R311-D317 CarbonylContact C-O 3.55Å; R311-D317 WeakPolarHBondContact CA-O 3.49Å
312	E	92.2	Very high	93.4	Very high	37 Å²	37	66.6 Å²	66.6	17%	0.173	34%	0.339	C	S	.	.			trans	-63.5	141.1	164.1	-155.4	-64.4	117.3	0	0	108.6	E314 T315 Q316 D317 V319 Y358	E312-E314 WeakPolarHBondContact OE2-CA 3.49Å; E312-E314 WeakPolarHBondContact OE2-CB 3.33Å; E312-E314 PolarHBondContact OE2-N 3.23Å; E312-T315 PolarHBondContact OE2-N 2.87Å; E312-Q316 WeakPolarHBondContact O-CA 3.45Å; E312-Q316 PolarHBondContact O-N 3.11Å; E312-Q316 VanDerWaalsContact O-N 3.08Å; E312-D317 PolarHBondContact N-O 3.29Å; E312-V319 HydrophobicContact CB-CG2 4.04Å; E312-Y358 HydrophobicContact CG-CE1 4.3Å; E312-Y358 WeakPolarHBondContact CG-OH 3.14Å
313	K	89.5	Confident	93.4	Very high	158 Å²	158	66.4 Å²	66.4	69%	0.687	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-43.1	-168.6	-177.1	-173.3	172.1	-160.6	0	112.4	Q316	K313-Q316 PolarHBondContact O-NE2 2.72Å
314	E	91.7	Very high	93.4	Very high	147 Å²	147	67 Å²	67	69%	0.687	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-46.4	-173.7	-57.9	-60	156.4	0	0	111.4	E312	E312-E314 WeakPolarHBondContact OE2-CA 3.49Å; E312-E314 WeakPolarHBondContact OE2-CB 3.33Å; E312-E314 PolarHBondContact OE2-N 3.23Å
315	T	93.6	Very high	93.3	Very high	79 Å²	79	64.7 Å²	64.7	49%	0.485	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.8	-178.3	74.8	0	0	0	0	113.4	E312 D317	E312-T315 PolarHBondContact OE2-N 2.87Å; T315-D317 WeakPolarHBondContact CB-OD2 3.26Å; T315-D317 PolarHBondContact O-N 2.97Å; T315-D317 VanDerWaalsContact OG1-CB 3.29Å; T315-D317 WeakPolarHBondContact OG1-CB 3.4Å; T315-D317 PolarHBondContact OG1-N 2.84Å; T315-D317 PolarHBondContact OG1-OD2 3.16Å
316	Q	93.8	Very high	93.3	Very high	109 Å²	109	68.4 Å²	68.4	51%	0.509	34%	0.34	S	S	.	.			trans	61.6	10.4	-170.9	-62.2	-66.7	-58.6	0	0	114.2	R311 E312 K313	R311-Q316 WeakPolarHBondContact CD-O 3.35Å; R311-Q316 PolarHBondContact NH1-O 2.62Å; E312-Q316 WeakPolarHBondContact O-CA 3.45Å; E312-Q316 PolarHBondContact O-N 3.11Å; E312-Q316 VanDerWaalsContact O-N 3.08Å; K313-Q316 PolarHBondContact O-NE2 2.72Å
317	D	94.2	Very high	93	Very high	93 Å²	93	70.9 Å²	70.9	50%	0.497	37%	0.37	S	S	.	.			trans	-65.3	142.3	179.2	-68.3	-38.1	0	0	0	110.8	R311 E312 T315	R311-D317 CarbonylContact C-O 3.55Å; R311-D317 WeakPolarHBondContact CA-O 3.49Å; E312-D317 PolarHBondContact N-O 3.29Å; T315-D317 WeakPolarHBondContact CB-OD2 3.26Å; T315-D317 PolarHBondContact O-N 2.97Å; T315-D317 VanDerWaalsContact OG1-CB 3.29Å; T315-D317 WeakPolarHBondContact OG1-CB 3.4Å; T315-D317 PolarHBondContact OG1-N 2.84Å; T315-D317 PolarHBondContact OG1-OD2 3.16Å
318	P	94.5	Very high	92.7	Very high	57 Å²	57	67.2 Å²	67.2	37%	0.37	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-64.6	139.2	174.1	27.8	-33.5	0	0	0	111.1	C336 N337	P318-C336 WeakPolarHBondContact CB-O 3.42Å; P318-C336 WeakPolarHBondContact CG-O 3.35Å; P318-N337 WeakPolarHBondContact CB-O 3.28Å
319	V	92.9	Very high	92.1	Very high	25 Å²	25	73.3 Å²	73.3	15%	0.152	38%	0.378	C	S	.	.			trans	-122.6	130.8	-178.2	-179.3	0	0	0	0	110.8	V310 E312 A321 S334 G338 V355	V310-V319 HydrophobicContact CG1-CB 4.28Å; V310-V319 PolarHBondContact O-N 2.91Å; E312-V319 HydrophobicContact CB-CG2 4.04Å; V319-A321 PolarHBondContact O-N 2.8Å; V319-S334 PolarHBondContact O-OG 2.66Å; V319-G338 WeakPolarHBondContact O-CA 3.37Å; V319-V355 HydrophobicContact CG1-CB 4.17Å; V319-V355 HydrophobicContact CG1-CG1 3.43Å; V319-V355 VanDerWaalsContact CG1-CG1 3.43Å; V319-V355 HydrophobicContact CG1-CG2 3.57Å
320	V	93.2	Very high	91.5	Very high	91 Å²	91	73.1 Å²	73.1	55%	0.552	38%	0.375	S	S	*	.			trans	-74.9	107.6	166.5	177	0	0	0	0	108	S334	V320-S334 WeakPolarHBondContact CA-OG 3.17Å
321	A	93.9	Very high	91.1	Very high	1 Å²	1	73.7 Å²	73.7	1%	0.008	38%	0.379	C	S	.	.			trans	-116.2	147.1	-176.6	0	0	0	0	0	109.6	V310 V319 M323 F333 S334 V353 V355	V310-A321 HydrophobicContact CB-CB 4.3Å; V310-A321 HydrophobicContact CG1-CB 3.97Å; V310-A321 HydrophobicContact CG2-CB 4.12Å; V319-A321 PolarHBondContact O-N 2.8Å; A321-M323 HydrophobicContact CB-SD 4.07Å; A321-M323 VanDerWaalsContact O-SD 3.36Å; A321-F333 VanDerWaalsContact O-CA 3.26Å; A321-F333 WeakPolarHBondContact O-CA 3.28Å; A321-S334 PolarHBondContact N-OG 2.78Å; A321-S334 PolarHBondContact O-N 2.69Å; A321-V353 HydrophobicContact CB-CG1 3.8Å; A321-V355 HydrophobicContact CB-CG2 3.64Å
322	K	93.6	Very high	90.9	Very high	109 Å²	109	68.3 Å²	68.3	47%	0.474	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.1	166.7	-176.6	177.4	-177.9	176.6	0	108.4	P331 F333 S354	K322-P331 HydrophobicContact CD-CB 4.48Å; K322-P331 HydrophobicContact CG-CB 4.05Å; K322-F333 HydrophobicContact CB-CD1 3.99Å; K322-F333 HydrophobicContact CB-CE1 3.71Å; K322-F333 HydrophobicContact CD-CE1 4.1Å; K322-F333 HydrophobicContact CD-CZ 4.33Å; K322-F333 HydrophobicContact CG-CD1 4.27Å; K322-F333 HydrophobicContact CG-CE1 3.67Å; K322-F333 HydrophobicContact CG-CZ 4.08Å; K322-S354 PolarHBondContact N-O 2.75Å; K322-S354 PolarHBondContact O-N 3.14Å
323	M	92.4	Very high	90.8	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.2	174.8	-65.5	89.4	54.6	0	0	112.3	V310 A321 P331 F332 F340 L351 I352 V353	V310-M323 HydrophobicContact CG2-SD 4.46Å; A321-M323 HydrophobicContact CB-SD 4.07Å; A321-M323 VanDerWaalsContact O-SD 3.36Å; M323-P331 CarbonylContact O-C 3.55Å; M323-P331 WeakPolarHBondContact O-CA 3.31Å; M323-P331 VanDerWaalsContact O-CB 3.29Å; M323-P331 WeakPolarHBondContact O-CB 3.23Å; M323-F332 HydrophobicContact CB-CD1 4.1Å; M323-F332 HydrophobicContact CB-CD2 4.16Å; M323-F332 HydrophobicContact CB-CE1 3.68Å; M323-F332 HydrophobicContact CB-CE2 3.78Å; M323-F332 HydrophobicContact CB-CG 4.29Å; M323-F332 HydrophobicContact CB-CZ 3.51Å; M323-F332 HydrophobicContact CE-CD2 3.16Å; M323-F332 HydrophobicContact CE-CE2 3.24Å; M323-F332 HydrophobicContact CE-CG 4.02Å; M323-F332 HydrophobicContact CE-CZ 4.14Å; M323-F332 HydrophobicContact CG-CE2 4.24Å; M323-F332 HydrophobicContact CG-CZ 4.29Å; M323-F332 PolarHBondContact N-O 2.83Å; M323-F332 PolarHBondContact O-N 2.94Å; M323-F340 HydrophobicContact CE-CB 3.22Å; M323-F340 HydrophobicContact CE-CD1 4.34Å; M323-F340 HydrophobicContact CE-CD2 4.21Å; M323-F340 HydrophobicContact CE-CG 3.7Å; M323-F340 HydrophobicContact SD-CB 4.29Å; M323-F340 HydrophobicContact SD-CG 4.42Å; M323-L351 HydrophobicContact CB-CD1 3.77Å; M323-L351 HydrophobicContact CG-CD1 4.1Å; M323-I352 CarbonylContact C-O 3.23Å; M323-I352 VanDerWaalsContact CA-O 3.23Å; M323-I352 WeakPolarHBondContact CA-O 3.4Å; M323-V353 HydrophobicContact CG-CG1 4.44Å; M323-V353 HydrophobicContact CG-CG2 4.17Å
324	K	91.8	Very high	90.9	Very high	97 Å²	97	65 Å²	65	42%	0.422	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134.2	172.1	-173	173.8	-176.7	174.4	0	110.6	R328 I352	K324-R328 WeakPolarHBondContact CE-O 3.36Å; K324-I352 PolarHBondContact N-O 3.39Å; K324-I352 PolarHBondContact O-N 2.93Å
325	I	92.5	Very high	90.9	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.9	168.6	-58.3	-62.8	0	0	0	108.2	I306 G327 R328 F332 L344 Y349 R350 L351	I306-I325 HydrophobicContact CD1-CD1 3.79Å; I325-G327 PolarHBondContact O-N 3.11Å; I325-R328 HydrophobicContact CB-CB 4.01Å; I325-R328 HydrophobicContact CB-CG 3.67Å; I325-R328 HydrophobicContact CG2-CG 3.73Å; I325-R328 PolarHBondContact O-N 2.86Å; I325-R328 VanDerWaalsContact O-O 3.11Å; I325-F332 HydrophobicContact CD1-CE1 4.45Å; I325-F332 HydrophobicContact CD1-CZ 4.49Å; I325-F332 HydrophobicContact CG1-CE1 4.06Å; I325-L344 HydrophobicContact CD1-CD1 4.01Å; I325-L344 HydrophobicContact CG1-CD1 4.19Å; I325-Y349 HydrophobicContact CG2-CD1 3.66Å; I325-Y349 HydrophobicContact CG2-CG 4.33Å; I325-R350 WeakPolarHBondContact CA-O 3.25Å; I325-L351 HydrophobicContact CD1-CB 4.11Å; I325-L351 HydrophobicContact CD1-CD1 3.63Å; I325-L351 HydrophobicContact CD1-CG 4.49Å
326	I	91.7	Very high	90.8	Very high	102 Å²	102	60.3 Å²	60.3	52%	0.523	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	129.2	173.3	-60.2	-161.8	0	0	0	109.2	R350 I352	I326-R350 HydrophobicContact CB-CB 4.3Å; I326-R350 HydrophobicContact CD1-CB 4.1Å; I326-R350 HydrophobicContact CD1-CG 3.98Å; I326-R350 HydrophobicContact CG1-CB 4.06Å; I326-R350 HydrophobicContact CG1-CG 4.28Å; I326-R350 PolarHBondContact N-O 3.31Å; I326-I352 HydrophobicContact CD1-CD1 4.21Å; I326-I352 HydrophobicContact CD1-CG1 4.32Å; I326-I352 HydrophobicContact CG1-CD1 4.39Å; I326-I352 HydrophobicContact CG1-CG1 4.02Å
327	G	88.1	Confident	90.7	Very high	73 Å²	73	58.2 Å²	58.2	75%	0.753	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-4.9	-174	0	0	0	0	0	114.4	I325	I325-G327 PolarHBondContact O-N 3.11Å
328	R	87.7	Confident	90.6	Very high	30 Å²	30	53.8 Å²	53.8	11%	0.113	30%	0.297	C	S	.	.			trans	-113	133.7	170.5	-51.9	-62	-171.9	168.7	5.2	109.5	P205 D206 D208 K324 I325	P205-R328 PolarHBondContact O-NH1 3.48Å; P205-R328 VanDerWaalsContact O-NH1 3.16Å; D206-R328 VanDerWaalsContact OD1-CD 3.27Å; D206-R328 WeakPolarHBondContact OD1-CD 3.28Å; D206-R328 IonicContact OD1-CZ 3.99Å; D206-R328 IonicContact OD1-NE 2.93Å; D208-R328 IonicContact OD1-CZ 3.59Å; D208-R328 IonicContact OD1-NH1 3.14Å; D208-R328 PolarHBondContact OD1-NH1 3.48Å; D208-R328 IonicContact OD1-NH2 3.09Å; D208-R328 PolarHBondContact OD1-NH2 3.22Å; D208-R328 IonicContact OD2-CZ 3.97Å; D208-R328 IonicContact OD2-NH1 3.75Å; D208-R328 IonicContact OD2-NH2 2.99Å; D208-R328 PolarHBondContact OD2-NH2 3.41Å; K324-R328 WeakPolarHBondContact CE-O 3.36Å; I325-R328 HydrophobicContact CB-CB 4.01Å; I325-R328 HydrophobicContact CB-CG 3.67Å; I325-R328 HydrophobicContact CG2-CG 3.73Å; I325-R328 PolarHBondContact O-N 2.86Å; I325-R328 VanDerWaalsContact O-O 3.11Å
329	E	81.7	Confident	90.7	Very high	143 Å²	143	51.2 Å²	51.2	67%	0.668	28%	0.28	S	S	*	.			trans	-81.9	-37	-172.5	-47.8	-177.6	151.3	0	0	112.7	P205 P331	P205-E329 HydrophobicContact CB-CB 4Å; P205-E329 HydrophobicContact CB-CG 3.98Å; P205-E329 HydrophobicContact CG-CB 3.69Å; P205-E329 HydrophobicContact CG-CG 3.9Å; E329-P331 WeakPolarHBondContact O-CD 3.39Å
330	I	82.6	Confident	90.6	Very high	42 Å²	42	51 Å²	51	22%	0.215	28%	0.277	C	S	.	.			trans	-80.5	119.7	-175.5	-58.6	-49.8	0	0	0	111.4	P205 Y261	P205-I330 HydrophobicContact CG-CD1 4.43Å; P205-I330 HydrophobicContact CG-CG1 3.94Å; Y261-I330 HydrophobicContact CE1-CB 4.26Å; Y261-I330 HydrophobicContact CE1-CD1 4.49Å; Y261-I330 HydrophobicContact CE1-CG1 3.55Å; Y261-I330 HydrophobicContact CE1-CG2 4.29Å; Y261-I330 WeakPolarHBondContact OH-CB 3.25Å; Y261-I330 VanDerWaalsContact OH-CG1 3.24Å; Y261-I330 WeakPolarHBondContact OH-CG1 3.48Å
331	P	87.9	Confident	90.6	Very high	34 Å²	34	47.8 Å²	47.8	22%	0.221	26%	0.255	C	S	.	.			trans	-74.5	159.8	170.6	33.8	-34.5	0	0	0	110.9	K322 M323 E329	K322-P331 HydrophobicContact CD-CB 4.48Å; K322-P331 HydrophobicContact CG-CB 4.05Å; M323-P331 CarbonylContact O-C 3.55Å; M323-P331 WeakPolarHBondContact O-CA 3.31Å; M323-P331 VanDerWaalsContact O-CB 3.29Å; M323-P331 WeakPolarHBondContact O-CB 3.23Å; E329-P331 WeakPolarHBondContact O-CD 3.39Å
332	F	89	Confident	90.5	Very high	5 Å²	5	48 Å²	48	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	166.4	173	59.4	-72.4	0	0	0	108.6	I306 M323 I325 F340 R342 L351	I306-F332 HydrophobicContact CD1-CZ 4.32Å; M323-F332 HydrophobicContact CB-CD1 4.1Å; M323-F332 HydrophobicContact CB-CD2 4.16Å; M323-F332 HydrophobicContact CB-CE1 3.68Å; M323-F332 HydrophobicContact CB-CE2 3.78Å; M323-F332 HydrophobicContact CB-CG 4.29Å; M323-F332 HydrophobicContact CB-CZ 3.51Å; M323-F332 HydrophobicContact CE-CD2 3.16Å; M323-F332 HydrophobicContact CE-CE2 3.24Å; M323-F332 HydrophobicContact CE-CG 4.02Å; M323-F332 HydrophobicContact CE-CZ 4.14Å; M323-F332 HydrophobicContact CG-CE2 4.24Å; M323-F332 HydrophobicContact CG-CZ 4.29Å; M323-F332 PolarHBondContact N-O 2.83Å; M323-F332 PolarHBondContact O-N 2.94Å; I325-F332 HydrophobicContact CD1-CE1 4.45Å; I325-F332 HydrophobicContact CD1-CZ 4.49Å; I325-F332 HydrophobicContact CG1-CE1 4.06Å; F332-F340 HydrophobicContact CE2-CB 4.38Å; F332-F340 AromaticContact CE2-CD2 3.84Å; F332-F340 HydrophobicContact CE2-CD2 3.84Å; F332-F340 HydrophobicContact CE2-CG 4.42Å; F332-R342 HydrophobicContact CD1-CG 4.35Å; F332-R342 HydrophobicContact CD2-CB 4.17Å; F332-R342 HydrophobicContact CE1-CB 4.22Å; F332-R342 HydrophobicContact CE1-CG 4.14Å; F332-R342 HydrophobicContact CE2-CB 3.74Å; F332-R342 HydrophobicContact CE2-CG 4.49Å; F332-R342 HydrophobicContact CZ-CB 3.79Å; F332-R342 HydrophobicContact CZ-CG 4.21Å; F332-L351 HydrophobicContact CE1-CD1 4.16Å; F332-L351 HydrophobicContact CZ-CD1 3.64Å
333	F	91	Very high	90.5	Very high	121 Å²	121	43 Å²	43	53%	0.531	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.7	-170	-60.4	-95.1	0	0	0	111	A321 K322	A321-F333 VanDerWaalsContact O-CA 3.26Å; A321-F333 WeakPolarHBondContact O-CA 3.28Å; K322-F333 HydrophobicContact CB-CD1 3.99Å; K322-F333 HydrophobicContact CB-CE1 3.71Å; K322-F333 HydrophobicContact CD-CE1 4.1Å; K322-F333 HydrophobicContact CD-CZ 4.33Å; K322-F333 HydrophobicContact CG-CD1 4.27Å; K322-F333 HydrophobicContact CG-CE1 3.67Å; K322-F333 HydrophobicContact CG-CZ 4.08Å
334	S	92.4	Very high	90.5	Very high	5 Å²	5	43 Å²	43	4%	0.035	23%	0.234	C	C	.	.			trans	-75.3	150.7	163.6	50.9	0	0	0	0	110.3	V319 V320 A321 G338 E339	V319-S334 PolarHBondContact O-OG 2.66Å; V320-S334 WeakPolarHBondContact CA-OG 3.17Å; A321-S334 PolarHBondContact N-OG 2.78Å; A321-S334 PolarHBondContact O-N 2.69Å; S334-G338 VanDerWaalsContact CB-C 3.4Å; S334-G338 WeakPolarHBondContact CB-O 3.31Å; S334-E339 CarbonylContact C-O 3.58Å; S334-E339 WeakPolarHBondContact CA-O 3.41Å; S334-E339 WeakPolarHBondContact CB-O 3.05Å
335	N	90.5	Very high	90.5	Very high	29 Å²	29	39.8 Å²	39.8	16%	0.155	22%	0.221	C	C	.	.			trans	-80.6	-175	174.7	66.1	22.1	0	0	0	111.7	P195 N337 G338 E339	P195-N335 HydrophobicContact CB-CB 4.42Å; P195-N335 WeakPolarHBondContact CG-ND2 3.06Å; N335-N337 PolarHBondContact O-N 3Å; N335-N337 VanDerWaalsContact O-N 3.14Å; N335-N337 WeakPolarHBondContact OD1-CA 3.17Å; N335-N337 VanDerWaalsContact OD1-CB 3.32Å; N335-N337 WeakPolarHBondContact OD1-CB 3.44Å; N335-N337 PolarHBondContact OD1-N 2.87Å; N335-G338 WeakPolarHBondContact O-CA 3.39Å; N335-G338 PolarHBondContact O-N 3.21Å; N335-G338 PolarHBondContact OD1-N 3.32Å; N335-E339 PolarHBondContact N-O 2.8Å; N335-E339 PolarHBondContact ND2-OE2 2.92Å; N335-E339 WeakPolarHBondContact OD1-CB 3.38Å; N335-E339 PolarHBondContact OD1-N 3.13Å; N335-E339 VanDerWaalsContact OD1-N 3.07Å
336	C	91.1	Very high	90.7	Very high	98 Å²	98	43.3 Å²	43.3	66%	0.662	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.2	178.2	55.6	0	0	0	0	114.4	P318 G338	P318-C336 WeakPolarHBondContact CB-O 3.42Å; P318-C336 WeakPolarHBondContact CG-O 3.35Å; C336-G338 VanDerWaalsContact C-N 3.25Å
337	N	92.3	Very high	90.8	Very high	64 Å²	64	39.7 Å²	39.7	34%	0.342	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.4	172.2	-62	-31.9	0	0	0	112.3	V309 P318 N335 E339	V309-N337 VanDerWaalsContact CG1-O 3.31Å; V309-N337 WeakPolarHBondContact CG1-O 3.31Å; P318-N337 WeakPolarHBondContact CB-O 3.28Å; N335-N337 PolarHBondContact O-N 3Å; N335-N337 VanDerWaalsContact O-N 3.14Å; N335-N337 WeakPolarHBondContact OD1-CA 3.17Å; N335-N337 VanDerWaalsContact OD1-CB 3.32Å; N335-N337 WeakPolarHBondContact OD1-CB 3.44Å; N335-N337 PolarHBondContact OD1-N 2.87Å; N337-E339 HydrophobicContact CB-CB 4.43Å; N337-E339 PolarHBondContact O-N 3Å
338	G	93	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	71.8	1.1	-174.7	0	0	0	0	0	112.9	V309 V310 V319 S334 N335 C336	V309-G338 CarbonylContact C-O 3.54Å; V309-G338 VanDerWaalsContact CA-O 3.3Å; V309-G338 WeakPolarHBondContact CA-O 3.19Å; V310-G338 PolarHBondContact N-O 3.41Å; V310-G338 WeakPolarHBondContact O-CA 3.27Å; V319-G338 WeakPolarHBondContact O-CA 3.37Å; S334-G338 VanDerWaalsContact CB-C 3.4Å; S334-G338 WeakPolarHBondContact CB-O 3.31Å; N335-G338 WeakPolarHBondContact O-CA 3.39Å; N335-G338 PolarHBondContact O-N 3.21Å; N335-G338 PolarHBondContact OD1-N 3.32Å; C336-G338 VanDerWaalsContact C-N 3.25Å
339	E	94.7	Very high	91.5	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	139.6	-172	178.7	-154.5	-127.1	0	0	111.6	H82 T84 L85 G308 V309 S334 N335 N337 Y341	H82-E339 IonicContact CE1-OE1 3.92Å; H82-E339 PolarHBondContact CE1-OE1 2.94Å; H82-E339 VanDerWaalsContact CE1-OE1 3.27Å; H82-E339 IonicContact CE1-OE2 2.88Å; H82-E339 PolarHBondContact CE1-OE2 3.49Å; H82-E339 IonicContact NE2-OE1 3.59Å; H82-E339 PolarHBondContact NE2-OE1 3.06Å; H82-E339 IonicContact NE2-OE2 3.34Å; H82-E339 PolarHBondContact NE2-OE2 3.39Å; T84-E339 VanDerWaalsContact CA-OE1 3.27Å; T84-E339 WeakPolarHBondContact CA-OE1 3.26Å; T84-E339 HydrophobicContact CG2-CB 4.23Å; T84-E339 HydrophobicContact CG2-CG 4.25Å; L85-E339 HydrophobicContact CD2-CG 4.31Å; L85-E339 PolarHBondContact N-OE1 3.38Å; G308-E339 CarbonylContact O-C 3.54Å; G308-E339 VanDerWaalsContact O-CA 3.28Å; G308-E339 WeakPolarHBondContact O-CA 3.45Å; V309-E339 HydrophobicContact CG2-CB 4.47Å; S334-E339 CarbonylContact C-O 3.58Å; S334-E339 WeakPolarHBondContact CA-O 3.41Å; S334-E339 WeakPolarHBondContact CB-O 3.05Å; N335-E339 PolarHBondContact N-O 2.8Å; N335-E339 PolarHBondContact ND2-OE2 2.92Å; N335-E339 WeakPolarHBondContact OD1-CB 3.38Å; N335-E339 PolarHBondContact OD1-N 3.13Å; N335-E339 VanDerWaalsContact OD1-N 3.07Å; N337-E339 HydrophobicContact CB-CB 4.43Å; N337-E339 PolarHBondContact O-N 3Å; E339-Y341 VanDerWaalsContact CD-OH 3.23Å; E339-Y341 HydrophobicContact CG-CD2 4.41Å; E339-Y341 HydrophobicContact CG-CE2 3.64Å; E339-Y341 WeakPolarHBondContact OE1-CE2 3.04Å; E339-Y341 VanDerWaalsContact OE1-CZ 3.27Å; E339-Y341 PolarHBondContact OE1-OH 3.39Å; E339-Y341 VanDerWaalsContact OE2-CE2 3.28Å; E339-Y341 WeakPolarHBondContact OE2-CE2 2.91Å
340	F	92.7	Very high	92.2	Very high	22 Å²	22	44.1 Å²	44.1	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.8	174.8	69.4	-92.3	0	0	0	113	I306 K307 G308 V310 M323 F332 L351	I306-F340 HydrophobicContact CD1-CE2 4.15Å; I306-F340 HydrophobicContact CG1-CE2 4.24Å; K307-F340 WeakPolarHBondContact CA-O 3.28Å; K307-F340 WeakPolarHBondContact CB-O 3.45Å; G308-F340 VanDerWaalsContact C-CE1 3.47Å; G308-F340 PolarHBondContact N-O 2.99Å; G308-F340 VanDerWaalsContact N-O 3.08Å; G308-F340 WeakPolarHBondContact O-CD1 3.07Å; G308-F340 PolarHBondContact O-N 3.25Å; V310-F340 HydrophobicContact CG2-CD1 3.86Å; V310-F340 HydrophobicContact CG2-CE1 3.98Å; M323-F340 HydrophobicContact CE-CB 3.22Å; M323-F340 HydrophobicContact CE-CD1 4.34Å; M323-F340 HydrophobicContact CE-CD2 4.21Å; M323-F340 HydrophobicContact CE-CG 3.7Å; M323-F340 HydrophobicContact SD-CB 4.29Å; M323-F340 HydrophobicContact SD-CG 4.42Å; F332-F340 HydrophobicContact CE2-CB 4.38Å; F332-F340 AromaticContact CE2-CD2 3.84Å; F332-F340 HydrophobicContact CE2-CD2 3.84Å; F332-F340 HydrophobicContact CE2-CG 4.42Å; F340-L351 HydrophobicContact CE2-CD2 4.29Å; F340-L351 HydrophobicContact CZ-CD2 4.14Å
341	Y	92.2	Very high	92.8	Very high	23 Å²	23	42.2 Å²	42.2	9%	0.09	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.3	172.2	-56.8	-94.4	0	0	0	109.9	L85 R86 P87 V197 I306 K307 E339	L85-Y341 WeakPolarHBondContact CA-OH 3.28Å; L85-Y341 PolarHBondContact N-OH 3.35Å; R86-Y341 PolarHBondContact N-OH 3.44Å; R86-Y341 VanDerWaalsContact N-OH 3.08Å; R86-Y341 PolarHBondContact O-OH 2.95Å; P87-Y341 HydrophobicContact CB-CD1 4.31Å; P87-Y341 HydrophobicContact CB-CE1 4.01Å; P87-Y341 HydrophobicContact CG-CD1 4.09Å; P87-Y341 HydrophobicContact CG-CE1 3.65Å; V197-Y341 HydrophobicContact CB-CG 4.38Å; V197-Y341 HydrophobicContact CG1-CD1 4.4Å; V197-Y341 HydrophobicContact CG1-CG 4.09Å; V197-Y341 HydrophobicContact CG2-CD1 3.87Å; V197-Y341 HydrophobicContact CG2-CD2 3.38Å; V197-Y341 HydrophobicContact CG2-CE1 4.39Å; V197-Y341 HydrophobicContact CG2-CE2 3.94Å; V197-Y341 HydrophobicContact CG2-CG 3.34Å; I306-Y341 CarbonylContact O-C 3.53Å; I306-Y341 WeakPolarHBondContact O-CA 3.24Å; K307-Y341 HydrophobicContact CB-CD1 3.43Å; K307-Y341 VanDerWaalsContact CB-CD1 3.43Å; K307-Y341 HydrophobicContact CB-CE1 3.79Å; K307-Y341 HydrophobicContact CB-CG 4.22Å; K307-Y341 HydrophobicContact CD-CD1 3.99Å; K307-Y341 HydrophobicContact CD-CE1 3.66Å; K307-Y341 HydrophobicContact CG-CD1 4.35Å; K307-Y341 HydrophobicContact CG-CE1 4.37Å; E339-Y341 VanDerWaalsContact CD-OH 3.23Å; E339-Y341 HydrophobicContact CG-CD2 4.41Å; E339-Y341 HydrophobicContact CG-CE2 3.64Å; E339-Y341 WeakPolarHBondContact OE1-CE2 3.04Å; E339-Y341 VanDerWaalsContact OE1-CZ 3.27Å; E339-Y341 PolarHBondContact OE1-OH 3.39Å; E339-Y341 VanDerWaalsContact OE2-CE2 3.28Å; E339-Y341 WeakPolarHBondContact OE2-CE2 2.91Å
342	R	92	Very high	93.1	Very high	6 Å²	6	42.2 Å²	42.2	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	119.1	165.1	-170.2	59.5	169.5	-162.4	-8.6	109.5	D206 G265 G305 I306 F332 L344	D206-R342 IonicContact OD1-NE 2.63Å; D206-R342 IonicContact OD1-NH2 3.61Å; D206-R342 IonicContact OD2-CZ 3.83Å; D206-R342 IonicContact OD2-NH2 2.6Å; D206-R342 PolarHBondContact OD2-NH2 3.18Å; G265-R342 PolarHBondContact O-NH1 3.31Å; G305-R342 CarbonylContact C-O 3.59Å; G305-R342 WeakPolarHBondContact CA-O 3.46Å; I306-R342 HydrophobicContact CG1-CB 3.97Å; I306-R342 PolarHBondContact N-O 3.15Å; I306-R342 PolarHBondContact O-N 3.27Å; F332-R342 HydrophobicContact CD1-CG 4.35Å; F332-R342 HydrophobicContact CD2-CB 4.17Å; F332-R342 HydrophobicContact CE1-CB 4.22Å; F332-R342 HydrophobicContact CE1-CG 4.14Å; F332-R342 HydrophobicContact CE2-CB 3.74Å; F332-R342 HydrophobicContact CE2-CG 4.49Å; F332-R342 HydrophobicContact CZ-CB 3.79Å; F332-R342 HydrophobicContact CZ-CG 4.21Å; R342-L344 HydrophobicContact CG-CD2 4.28Å; R342-L344 HydrophobicContact CG-CG 4.15Å; R342-L344 PolarHBondContact O-N 3.07Å
343	I	92.5	Very high	93.4	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	22%	0.217	C	C	.	.			trans	-68.6	128.7	173.9	-57.1	174.3	0	0	0	108.5	V197 L198 V209 I213 T304	V197-I343 HydrophobicContact CG1-CD1 4.43Å; V197-I343 HydrophobicContact CG1-CG1 4.17Å; L198-I343 HydrophobicContact CB-CD1 4.19Å; L198-I343 HydrophobicContact CD1-CD1 3.77Å; L198-I343 HydrophobicContact CG-CD1 4.41Å; V209-I343 HydrophobicContact CG1-CB 4.18Å; V209-I343 HydrophobicContact CG1-CG2 3.73Å; I213-I343 HydrophobicContact CD1-CD1 4.23Å; I213-I343 HydrophobicContact CD1-CG2 3.94Å; T304-I343 WeakPolarHBondContact OG1-CG2 3.27Å
344	L	92.8	Very high	93.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.			trans	-146.2	147.2	-179.9	-67.1	172.1	0	0	0	108.6	G305 I306 I325 R342 Y349 I367	G305-L344 VanDerWaalsContact CA-N 3.32Å; G305-L344 WeakPolarHBondContact CA-O 3.42Å; G305-L344 PolarHBondContact N-O 2.03Å; I306-L344 HydrophobicContact CD1-CD1 4.16Å; I306-L344 HydrophobicContact CG1-CD1 4.05Å; I306-L344 HydrophobicContact CG2-CD1 4.36Å; I325-L344 HydrophobicContact CD1-CD1 4.01Å; I325-L344 HydrophobicContact CG1-CD1 4.19Å; R342-L344 HydrophobicContact CG-CD2 4.28Å; R342-L344 HydrophobicContact CG-CG 4.15Å; R342-L344 PolarHBondContact O-N 3.07Å; L344-Y349 HydrophobicContact CB-CE2 4.1Å; L344-Y349 HydrophobicContact CD1-CD1 4.23Å; L344-Y349 HydrophobicContact CD1-CD2 4.14Å; L344-Y349 HydrophobicContact CD1-CE1 4.37Å; L344-Y349 HydrophobicContact CD1-CE2 4.29Å; L344-Y349 HydrophobicContact CD1-CG 4.09Å; L344-Y349 HydrophobicContact CD2-CE1 4.07Å; L344-I367 HydrophobicContact CB-CD1 3.5Å; L344-I367 HydrophobicContact CD1-CD1 3.99Å; L344-I367 HydrophobicContact CG-CD1 4.39Å
345	L	93.4	Very high	93.6	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.157	22%	0.215	C	C	.	.			trans	-75.8	161.2	174	-59.7	-176	0	0	0	111.6	D208 V209 N212 G347 Y349	D208-L345 HydrophobicContact CB-CD1 4.18Å; V209-L345 HydrophobicContact CG2-CG 4.18Å; N212-L345 HydrophobicContact CB-CD1 3.96Å; N212-L345 HydrophobicContact CB-CD2 3.61Å; N212-L345 HydrophobicContact CB-CG 4.37Å; N212-L345 WeakPolarHBondContact OD1-CD2 3.35Å; L345-G347 PolarHBondContact O-N 3.34Å; L345-Y349 WeakPolarHBondContact O-CE2 3.43Å; L345-Y349 PolarHBondContact O-OH 3.07Å
346	P	95	Very high	93.5	Very high	77 Å²	77	46.4 Å²	46.4	50%	0.5	24%	0.241	S	C	.	.	S	Bend	trans	-49.7	134.1	171.9	-28.8	37.4	0	0	0	111.9	I367 G369	P346-I367 CarbonylContact C-O 3.5Å; P346-I367 VanDerWaalsContact CA-O 3.29Å; P346-I367 WeakPolarHBondContact CA-O 3.18Å; P346-G369 VanDerWaalsContact CG-CA 3.48Å
347	G	94.8	Very high	93.3	Very high	26 Å²	26	50.1 Å²	50.1	27%	0.268	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-179.3	-171.7	0	0	0	0	0	113.7	L345 T366 I367	L345-G347 PolarHBondContact O-N 3.34Å; G347-T366 WeakPolarHBondContact O-CA 3.1Å; G347-I367 PolarHBondContact N-O 3.06Å; G347-I367 PolarHBondContact O-N 3.09Å
348	K	95.3	Very high	93.1	Very high	183 Å²	183	53.3 Å²	53.3	80%	0.796	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.1	176.9	-64.8	179.8	-178	176.8	0	109.2	T366	K348-T366 HydrophobicContact CG-CG2 4.29Å
349	Y	95	Very high	92.8	Very high	37 Å²	37	60.6 Å²	60.6	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.7	-176.5	-60	-83.8	0	0	0	111.1	I325 L344 L345 K365 I367	I325-Y349 HydrophobicContact CG2-CD1 3.66Å; I325-Y349 HydrophobicContact CG2-CG 4.33Å; L344-Y349 HydrophobicContact CB-CE2 4.1Å; L344-Y349 HydrophobicContact CD1-CD1 4.23Å; L344-Y349 HydrophobicContact CD1-CD2 4.14Å; L344-Y349 HydrophobicContact CD1-CE1 4.37Å; L344-Y349 HydrophobicContact CD1-CE2 4.29Å; L344-Y349 HydrophobicContact CD1-CG 4.09Å; L344-Y349 HydrophobicContact CD2-CE1 4.07Å; L345-Y349 WeakPolarHBondContact O-CE2 3.43Å; L345-Y349 PolarHBondContact O-OH 3.07Å; Y349-K365 PolarHBondContact N-O 3.18Å; Y349-K365 PolarHBondContact O-N 3.17Å; Y349-I367 HydrophobicContact CD2-CD1 3.77Å; Y349-I367 HydrophobicContact CD2-CG1 4.11Å; Y349-I367 HydrophobicContact CE2-CD1 3.61Å; Y349-I367 HydrophobicContact CE2-CG1 4.16Å
350	R	95.7	Very high	92.6	Very high	119 Å²	119	67.1 Å²	67.1	45%	0.449	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.4	167.6	-170.4	174.7	-63.4	-89.4	0.8	108.8	I325 I326 S362 L363	I325-R350 WeakPolarHBondContact CA-O 3.25Å; I326-R350 HydrophobicContact CB-CB 4.3Å; I326-R350 HydrophobicContact CD1-CB 4.1Å; I326-R350 HydrophobicContact CD1-CG 3.98Å; I326-R350 HydrophobicContact CG1-CB 4.06Å; I326-R350 HydrophobicContact CG1-CG 4.28Å; I326-R350 PolarHBondContact N-O 3.31Å; R350-S362 VanDerWaalsContact CD-OG 3.31Å; R350-S362 WeakPolarHBondContact CD-OG 3.33Å; R350-S362 WeakPolarHBondContact CG-OG 3.09Å; R350-S362 PolarHBondContact NH1-OG 3.4Å; R350-L363 CarbonylContact C-O 3.54Å; R350-L363 WeakPolarHBondContact CA-O 3.35Å
351	L	95.5	Very high	92.6	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119	177.9	176.6	69.5	0	0	0	108.8	I306 M323 I325 F332 F340 V353 S362 L363	I306-L351 HydrophobicContact CD1-CD1 4.13Å; I306-L351 HydrophobicContact CD1-CD2 4.12Å; M323-L351 HydrophobicContact CB-CD1 3.77Å; M323-L351 HydrophobicContact CG-CD1 4.1Å; I325-L351 HydrophobicContact CD1-CB 4.11Å; I325-L351 HydrophobicContact CD1-CD1 3.63Å; I325-L351 HydrophobicContact CD1-CG 4.49Å; F332-L351 HydrophobicContact CE1-CD1 4.16Å; F332-L351 HydrophobicContact CZ-CD1 3.64Å; F340-L351 HydrophobicContact CE2-CD2 4.29Å; F340-L351 HydrophobicContact CZ-CD2 4.14Å; L351-V353 HydrophobicContact CD2-CG2 3.96Å; L351-V353 HydrophobicContact CG-CG2 3.93Å; L351-S362 CarbonylContact O-C 3.46Å; L351-S362 WeakPolarHBondContact O-CA 3.29Å; L351-L363 HydrophobicContact CB-CB 4.39Å; L351-L363 HydrophobicContact CD2-CD1 4.37Å; L351-L363 PolarHBondContact N-O 2.75Å; L351-L363 PolarHBondContact O-N 2.74Å
352	I	94.9	Very high	92.7	Very high	34 Å²	34	73 Å²	73	17%	0.174	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127	167.3	-55.8	-56	0	0	0	108	M323 K324 I326 F360 Q361	M323-I352 CarbonylContact C-O 3.23Å; M323-I352 VanDerWaalsContact CA-O 3.23Å; M323-I352 WeakPolarHBondContact CA-O 3.4Å; K324-I352 PolarHBondContact N-O 3.39Å; K324-I352 PolarHBondContact O-N 2.93Å; I326-I352 HydrophobicContact CD1-CD1 4.21Å; I326-I352 HydrophobicContact CD1-CG1 4.32Å; I326-I352 HydrophobicContact CG1-CD1 4.39Å; I326-I352 HydrophobicContact CG1-CG1 4.02Å; I352-F360 HydrophobicContact CD1-CD2 4.47Å; I352-F360 HydrophobicContact CG2-CB 4.29Å; I352-F360 HydrophobicContact CG2-CD2 4Å; I352-F360 HydrophobicContact CG2-CG 4.43Å; I352-Q361 CarbonylContact C-O 3.6Å; I352-Q361 VanDerWaalsContact CA-O 3.3Å; I352-Q361 WeakPolarHBondContact CA-O 3.42Å
353	V	95.6	Very high	92.8	Very high	14 Å²	14	75.5 Å²	75.5	9%	0.085	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.4	175	-174.1	0	0	0	0	107.6	V310 A321 M323 L351 F360 Q361 L363	V310-V353 HydrophobicContact CG1-CG1 4.15Å; V310-V353 HydrophobicContact CG2-CG1 4.29Å; A321-V353 HydrophobicContact CB-CG1 3.8Å; M323-V353 HydrophobicContact CG-CG1 4.44Å; M323-V353 HydrophobicContact CG-CG2 4.17Å; L351-V353 HydrophobicContact CD2-CG2 3.96Å; L351-V353 HydrophobicContact CG-CG2 3.93Å; V353-F360 CarbonylContact O-C 3.54Å; V353-F360 VanDerWaalsContact O-CA 3.26Å; V353-F360 WeakPolarHBondContact O-CA 3.4Å; V353-F360 WeakPolarHBondContact O-CB 3.43Å; V353-Q361 HydrophobicContact CB-CB 4.44Å; V353-Q361 PolarHBondContact N-O 2.65Å; V353-Q361 PolarHBondContact O-N 2.92Å; V353-L363 HydrophobicContact CG2-CD1 4.22Å
354	S	94.5	Very high	92.9	Very high	46 Å²	46	78.8 Å²	78.8	32%	0.322	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129	-177.8	-56.1	0	0	0	0	109.9	K322	K322-S354 PolarHBondContact N-O 2.75Å; K322-S354 PolarHBondContact O-N 3.14Å
355	V	92.6	Very high	92.9	Very high	33 Å²	33	83.6 Å²	83.6	20%	0.2	42%	0.42	C	S	.	.			trans	-124	138.6	175.2	-178.9	0	0	0	0	106.4	V319 A321 H357 Y358	V319-V355 HydrophobicContact CG1-CB 4.17Å; V319-V355 HydrophobicContact CG1-CG1 3.43Å; V319-V355 VanDerWaalsContact CG1-CG1 3.43Å; V319-V355 HydrophobicContact CG1-CG2 3.57Å; A321-V355 HydrophobicContact CB-CG2 3.64Å; V355-H357 PolarHBondContact O-N 2.76Å; V355-Y358 HydrophobicContact CB-CD2 3.9Å; V355-Y358 HydrophobicContact CB-CG 4.29Å; V355-Y358 HydrophobicContact CG1-CD2 3.56Å; V355-Y358 HydrophobicContact CG1-CE2 4.03Å; V355-Y358 HydrophobicContact CG1-CG 4.4Å; V355-Y358 PolarHBondContact O-N 2.66Å; V355-Y358 VanDerWaalsContact O-N 3.11Å
356	E	88.1	Confident	92.9	Very high	154 Å²	154	87.2 Å²	87.2	72%	0.72	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	135.3	177.7	-163.3	177	-173.9	0	0	110.4	Y358	E356-Y358 WeakPolarHBondContact O-CD2 3.39Å; E356-Y358 PolarHBondContact O-N 2.93Å
357	H	87.3	Confident	92.7	Very high	177 Å²	177	84.8 Å²	84.8	82%	0.819	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	4.9	-176.4	-43.1	-62.1	0	0	0	116.8	V355	V355-H357 PolarHBondContact O-N 2.76Å
358	Y	86.9	Confident	92.4	Very high	131 Å²	131	88.7 Å²	88.7	51%	0.514	45%	0.45	S	S	.	.	S	Bend	trans	-112.6	153.9	171.6	-68.3	-101.3	0	0	0	111.5	E312 V355 E356	E312-Y358 HydrophobicContact CG-CE1 4.3Å; E312-Y358 WeakPolarHBondContact CG-OH 3.14Å; V355-Y358 HydrophobicContact CB-CD2 3.9Å; V355-Y358 HydrophobicContact CB-CG 4.29Å; V355-Y358 HydrophobicContact CG1-CD2 3.56Å; V355-Y358 HydrophobicContact CG1-CE2 4.03Å; V355-Y358 HydrophobicContact CG1-CG 4.4Å; V355-Y358 PolarHBondContact O-N 2.66Å; V355-Y358 VanDerWaalsContact O-N 3.11Å; E356-Y358 WeakPolarHBondContact O-CD2 3.39Å; E356-Y358 PolarHBondContact O-N 2.93Å
359	D	88.1	Confident	91.4	Very high	153 Å²	153	85.9 Å²	85.9	82%	0.818	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-63.1	138.9	165.2	-70.6	-39.5	0	0	0	110.3
360	F	89.4	Confident	91.2	Very high	139 Å²	139	88.4 Å²	88.4	61%	0.61	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-68.6	146.2	176.7	73.1	-90.5	0	0	0	110.9	I352 V353	I352-F360 HydrophobicContact CD1-CD2 4.47Å; I352-F360 HydrophobicContact CG2-CB 4.29Å; I352-F360 HydrophobicContact CG2-CD2 4Å; I352-F360 HydrophobicContact CG2-CG 4.43Å; V353-F360 CarbonylContact O-C 3.54Å; V353-F360 VanDerWaalsContact O-CA 3.26Å; V353-F360 WeakPolarHBondContact O-CA 3.4Å; V353-F360 WeakPolarHBondContact O-CB 3.43Å
361	Q	92.4	Very high	91	Very high	119 Å²	119	86.7 Å²	86.7	56%	0.556	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	143	171.8	-62.7	-173.4	30.5	0	0	110.7	I352 V353	I352-Q361 CarbonylContact C-O 3.6Å; I352-Q361 VanDerWaalsContact CA-O 3.3Å; I352-Q361 WeakPolarHBondContact CA-O 3.42Å; V353-Q361 HydrophobicContact CB-CB 4.44Å; V353-Q361 PolarHBondContact N-O 2.65Å; V353-Q361 PolarHBondContact O-N 2.92Å
362	S	94.3	Very high	90.8	Very high	49 Å²	49	91.4 Å²	91.4	34%	0.343	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.5	172.9	151.2	0	0	0	0	109.8	R350 L351	R350-S362 VanDerWaalsContact CD-OG 3.31Å; R350-S362 WeakPolarHBondContact CD-OG 3.33Å; R350-S362 WeakPolarHBondContact CG-OG 3.09Å; R350-S362 PolarHBondContact NH1-OG 3.4Å; L351-S362 CarbonylContact O-C 3.46Å; L351-S362 WeakPolarHBondContact O-CA 3.29Å
363	L	94.4	Very high	90.5	Very high	60 Å²	60	94.8 Å²	94.8	31%	0.314	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.1	-178.3	-56.8	173.7	0	0	0	110.8	R350 L351 V353	R350-L363 CarbonylContact C-O 3.54Å; R350-L363 WeakPolarHBondContact CA-O 3.35Å; L351-L363 HydrophobicContact CB-CB 4.39Å; L351-L363 HydrophobicContact CD2-CD1 4.37Å; L351-L363 PolarHBondContact N-O 2.75Å; L351-L363 PolarHBondContact O-N 2.74Å; V353-L363 HydrophobicContact CG2-CD1 4.22Å
364	A	95	Very high	90.2	Very high	72 Å²	72	99.9 Å²	99.9	60%	0.595	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80	129.5	168.3	0	0	0	0	0	109.8
365	K	92.1	Very high	89.9	Confident	100 Å²	100	103.5 Å²	103.5	44%	0.435	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.1	134.1	-179.9	-64.4	-64.6	177.5	-177.6	0	110.4	Y349	Y349-K365 PolarHBondContact N-O 3.18Å; Y349-K365 PolarHBondContact O-N 3.17Å
366	T	93.7	Very high	89.7	Confident	107 Å²	107	108.5 Å²	108.5	66%	0.656	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.1	128.4	173.6	-56.6	0	0	0	0	108.2	G347 K348	G347-T366 WeakPolarHBondContact O-CA 3.1Å; K348-T366 HydrophobicContact CG-CG2 4.29Å
367	I	91.6	Very high	89.8	Confident	26 Å²	26	105 Å²	105	13%	0.133	60%	0.602	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	113.5	175.3	-53.1	178.3	0	0	0	106.4	I306 L344 P346 G347 Y349	I306-I367 HydrophobicContact CG2-CD1 3.87Å; I306-I367 HydrophobicContact CG2-CG1 4.16Å; L344-I367 HydrophobicContact CB-CD1 3.5Å; L344-I367 HydrophobicContact CD1-CD1 3.99Å; L344-I367 HydrophobicContact CG-CD1 4.39Å; P346-I367 CarbonylContact C-O 3.5Å; P346-I367 VanDerWaalsContact CA-O 3.29Å; P346-I367 WeakPolarHBondContact CA-O 3.18Å; G347-I367 PolarHBondContact N-O 3.06Å; G347-I367 PolarHBondContact O-N 3.09Å; Y349-I367 HydrophobicContact CD2-CD1 3.77Å; Y349-I367 HydrophobicContact CD2-CG1 4.11Å; Y349-I367 HydrophobicContact CE2-CD1 3.61Å; Y349-I367 HydrophobicContact CE2-CG1 4.16Å
368	S	87.6	Confident	90.1	Very high	107 Å²	107	99 Å²	99	75%	0.748	58%	0.584	S	S	*	*			trans	-77.7	145.9	172.7	49.9	0	0	0	0	110.4
369	G	75.2	Confident	90.3	Very high	125 Å²	125	96.1 Å²	96.1	100%	1.289	59%	0.591	S	S	*	*			trans	-84	0	175.7	0	0	0	0	0	113.7	P346	P346-G369 VanDerWaalsContact CG-CA 3.48Å

Retrieved 369 of 369 residues in 425.9 ms (Link to these results)

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