A0A087Y4T9_POEFO Loading...

18S rRNA (pseudouridine(1248)-N1)-methyltransferase

AlphaFold DB (A0A3B3VAB5), UniProt , Accession A0A087Y4T9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 236 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	39.5	Very low	41.3	Very low	253 Å²	253	158.5 Å²	158.5	100%	1.246	85%	0.848	S	S	*	*				0	123.4	0	-60.7	177	-166.1	0	0	106.2
2	A	38.3	Very low	41.6	Very low	105 Å²	105	156.6 Å²	156.6	87%	0.868	84%	0.836	S	S	*	*			cis	-137.9	141.4	13.5	0	0	0	0	0	109.2
3	S	36.6	Very low	41.8	Very low	119 Å²	119	156.4 Å²	156.4	83%	0.832	84%	0.835	S	S	*	*			trans	-94.4	114.7	174.8	178.7	0	0	0	0	109	K5	S3-K5 PolarHBondContact O-N 2.74Å
4	G	41	Very low	41.8	Very low	74 Å²	74	157.7 Å²	157.7	76%	0.763	83%	0.834	S	S	*	*			trans	-74.9	111.7	173.2	0	0	0	0	0	110.9	K6	G4-K6 PolarHBondContact O-N 3.2Å
5	K	41	Very low	42.5	Very low	192 Å²	192	156 Å²	156	84%	0.835	81%	0.813	S	S	*	*			trans	-79.2	102.7	169.5	-102.5	177.3	175.2	176.4	0	109.5	S3 R7	S3-K5 PolarHBondContact O-N 2.74Å; K5-R7 PolarHBondContact O-N 3.23Å; K5-R7 VanDerWaalsContact O-N 3.15Å
6	K	43.3	Very low	42.7	Very low	209 Å²	209	156.8 Å²	156.8	91%	0.909	81%	0.812	S	S	*	*			trans	-61	106.2	156.2	-76.5	178.1	174	179.5	0	107.5	G4 G8	G4-K6 PolarHBondContact O-N 3.2Å; K6-G8 PolarHBondContact O-N 3.49Å
7	R	44.4	Very low	43	Very low	238 Å²	238	151.9 Å²	151.9	90%	0.898	79%	0.792	S	S	*	*			trans	-75.7	107.1	165.5	-78.9	-179.6	174.2	168.5	-2.1	106.8	K5	K5-R7 PolarHBondContact O-N 3.23Å; K5-R7 VanDerWaalsContact O-N 3.15Å
8	G	39	Very low	43.2	Very low	56 Å²	56	153.9 Å²	153.9	58%	0.577	79%	0.793	S	S	*	*			trans	-63.2	143.2	179.4	0	0	0	0	0	111.9	K6 E10	K6-G8 PolarHBondContact O-N 3.49Å; G8-E10 PolarHBondContact O-N 2.85Å
9	L	44.1	Very low	43.3	Very low	148 Å²	148	150.2 Å²	150.2	78%	0.775	79%	0.788	S	S	*	*	S	Bend	trans	-76.2	15.5	171.8	-80.5	136.7	0	0	0	112.6	H11 L12	L9-H11 PolarHBondContact O-N 2.87Å; L9-L12 HydrophobicContact CD2-CD1 4Å
10	E	43.1	Very low	43.5	Very low	182 Å²	182	144.7 Å²	144.7	85%	0.85	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-0.8	-167.9	-64.8	177.6	167.8	0	0	114.3	G8	G8-E10 PolarHBondContact O-N 2.85Å
11	H	44	Very low	43.6	Very low	168 Å²	168	147.5 Å²	147.5	78%	0.778	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	5.2	-173.4	-126.1	-53.3	0	0	0	115	L9	L9-H11 PolarHBondContact O-N 2.87Å
12	L	44.8	Very low	43.9	Very low	135 Å²	135	141.3 Å²	141.3	71%	0.707	75%	0.748	S	S	*	*	S	Bend	trans	-89	-11	-175.7	-72.7	167.6	0	0	0	114.5	L9	L9-L12 HydrophobicContact CD2-CD1 4Å
13	D	44.4	Very low	44.1	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	73%	0.728	S	S	*	*	S	Bend	trans	-101	-5.1	-169.8	-71.4	-30.5	0	0	0	115.3
14	E	41.6	Very low	44.2	Very low	175 Å²	175	143.3 Å²	143.3	82%	0.818	73%	0.734	S	S	*	*			trans	-102.5	79.2	174.2	-81.7	-177.1	165.4	0	0	111.4	E16	E14-E16 PolarHBondContact O-N 3.46Å
15	Y	51.7	Low	44.7	Very low	132 Å²	132	142 Å²	142	52%	0.518	71%	0.71	S	S	.	*			trans	-82.4	97.8	162.1	-179.3	-98.6	0	0	0	109.6	P17 R95	Y15-P17 HydrophobicContact CE1-CB 3.96Å; Y15-P17 WeakPolarHBondContact O-CD 3.48Å; Y15-R95 WeakPolarHBondContact OH-CD 3.36Å; Y15-R95 PolarHBondContact OH-NH1 2.81Å
16	E	46.3	Very low	45.1	Very low	169 Å²	169	138.5 Å²	138.5	79%	0.79	70%	0.7	S	S	*	*			trans	-75.7	117.3	162.9	-75.8	-167.3	155.9	0	0	109.3	E14 K18	E14-E16 PolarHBondContact O-N 3.46Å; E16-K18 PolarHBondContact O-N 2.92Å
17	P	48	Very low	45.6	Very low	74 Å²	74	133.7 Å²	133.7	48%	0.481	68%	0.684	S	S	.	*			trans	-63.1	115.1	175	25	-30.8	0	0	0	108.8	Y15 A19	Y15-P17 HydrophobicContact CE1-CB 3.96Å; Y15-P17 WeakPolarHBondContact O-CD 3.48Å; P17-A19 PolarHBondContact O-N 3.38Å
18	K	45.6	Very low	46	Very low	187 Å²	187	129.8 Å²	129.8	81%	0.813	68%	0.675	S	S	*	*			trans	-57.2	114.3	167.6	-74	-177.4	179.4	174.4	0	107.2	E16 A20	E16-K18 PolarHBondContact O-N 2.92Å; K18-A20 PolarHBondContact O-N 3.18Å
19	A	45.3	Very low	46.6	Very low	84 Å²	84	131.2 Å²	131.2	69%	0.694	67%	0.67	S	S	*	*			trans	-55.1	125.6	175.7	0	0	0	0	0	108.3	P17 K21	P17-A19 PolarHBondContact O-N 3.38Å; A19-K21 PolarHBondContact O-N 3.45Å; A19-K21 VanDerWaalsContact O-N 3.11Å
20	A	48.8	Very low	47.3	Very low	40 Å²	40	130.6 Å²	130.6	33%	0.331	66%	0.657	S	S	.	*			trans	-49.6	124.4	168.6	0	0	0	0	0	107.2	K18 T22	K18-A20 PolarHBondContact O-N 3.18Å; A20-T22 PolarHBondContact O-N 2.8Å; A20-T22 PolarHBondContact O-OG1 3.06Å
21	K	44.8	Very low	47.8	Very low	203 Å²	203	125.3 Å²	125.3	88%	0.883	63%	0.633	S	S	*	*			trans	-61.8	87.1	-178.5	-75.5	-176.1	179.6	178.4	0	108.5	A19 G23	A19-K21 PolarHBondContact O-N 3.45Å; A19-K21 VanDerWaalsContact O-N 3.11Å; K21-G23 PolarHBondContact O-N 2.96Å
22	T	45.5	Very low	48.5	Very low	124 Å²	124	120.9 Å²	120.9	76%	0.761	63%	0.626	S	S	*	*			trans	-86	63	177.2	-42	0	0	0	0	106.8	A20	A20-T22 PolarHBondContact O-N 2.8Å; A20-T22 PolarHBondContact O-OG1 3.06Å
23	G	41.9	Very low	50.1	Low	45 Å²	45	118.3 Å²	118.3	46%	0.464	61%	0.61	S	S	.	*			trans	-61	154.1	163	0	0	0	0	0	108.7	K21 I25	K21-G23 PolarHBondContact O-N 2.96Å; G23-I25 PolarHBondContact O-N 3.32Å
24	K	39.4	Very low	52.2	Low	220 Å²	220	116.9 Å²	116.9	96%	0.957	59%	0.593	S	S	*	*			trans	-67.7	77.5	167.5	-74.5	-179.4	177	177.3	0	108.6
25	I	51.6	Low	54.6	Low	48 Å²	48	111.7 Å²	111.7	25%	0.246	57%	0.566	C	S	.	*			trans	-79.9	127.4	176.2	-60.8	165	0	0	0	106.8	G23 D29 R30	G23-I25 PolarHBondContact O-N 3.32Å; I25-D29 HydrophobicContact CG2-CB 3.33Å; I25-R30 HydrophobicContact CB-CG 4.05Å; I25-R30 HydrophobicContact CG2-CG 3.82Å; I25-R30 PolarHBondContact O-NE 2.93Å
26	N	50.3	Low	56.8	Low	117 Å²	117	105.4 Å²	105.4	63%	0.626	54%	0.541	S	S	*	.			trans	-56.4	152.3	178.5	-84.2	-25.4	0	0	0	110.3	H28 D29 R30	N26-H28 PolarHBondContact O-N 3.47Å; N26-D29 PolarHBondContact O-N 3.35Å; N26-D29 VanDerWaalsContact O-N 3.08Å; N26-R30 PolarHBondContact O-N 3.25Å
27	L	53.7	Low	59.3	Low	109 Å²	109	97.5 Å²	97.5	57%	0.571	51%	0.505	S	S	*	.	H	α-helix	trans	-56.8	-37.7	-178.1	-172	69.9	0	0	0	111.9	R30 M31	L27-R30 PolarHBondContact O-N 3.42Å; L27-M31 HydrophobicContact CG-CE 4.36Å; L27-M31 HydrophobicContact CG-SD 4.24Å; L27-M31 VanDerWaalsContact O-CG 3.27Å; L27-M31 WeakPolarHBondContact O-CG 3.49Å; L27-M31 PolarHBondContact O-N 3.02Å; L27-M31 VanDerWaalsContact O-N 3.09Å
28	H	51.8	Low	61.7	Low	156 Å²	156	94 Å²	94	72%	0.722	48%	0.482	S	S	*	.	H	α-helix	trans	-62.5	-43.1	175.2	-82.2	-70.5	0	0	0	113.1	N26 M31 A32	N26-H28 PolarHBondContact O-N 3.47Å; H28-M31 PolarHBondContact O-N 3.02Å; H28-A32 PolarHBondContact O-N 2.99Å; H28-A32 VanDerWaalsContact O-N 3.09Å
29	D	52.8	Low	64.2	Low	86 Å²	86	85.1 Å²	85.1	46%	0.46	44%	0.443	S	S	.	.	H	α-helix	trans	-69.4	-39.2	178.8	-65.7	-32.4	0	0	0	111	I25 N26 M31 A32 E33	I25-D29 HydrophobicContact CG2-CB 3.33Å; N26-D29 PolarHBondContact O-N 3.35Å; N26-D29 VanDerWaalsContact O-N 3.08Å; D29-M31 PolarHBondContact O-N 2.99Å; D29-A32 PolarHBondContact O-N 3Å; D29-A32 VanDerWaalsContact O-N 3.17Å; D29-E33 WeakPolarHBondContact O-CG 3.44Å; D29-E33 PolarHBondContact O-N 2.89Å
30	R	58.1	Low	66.8	Low	135 Å²	135	81.1 Å²	81.1	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-62.4	-26.3	172.3	-85.4	-167.3	-85.4	173.8	-4.4	113.9	I25 N26 L27	I25-R30 HydrophobicContact CB-CG 4.05Å; I25-R30 HydrophobicContact CG2-CG 3.82Å; I25-R30 PolarHBondContact O-NE 2.93Å; N26-R30 PolarHBondContact O-N 3.25Å; L27-R30 PolarHBondContact O-N 3.42Å
31	M	53.8	Low	69.2	Low	71 Å²	71	80.3 Å²	80.3	35%	0.35	40%	0.399	S	S	.	.	H	α-helix	trans	-86.2	-22.3	178	-75.6	176.1	157.2	0	0	112.7	L27 H28 D29 P162	L27-M31 HydrophobicContact CG-CE 4.36Å; L27-M31 HydrophobicContact CG-SD 4.24Å; L27-M31 VanDerWaalsContact O-CG 3.27Å; L27-M31 WeakPolarHBondContact O-CG 3.49Å; L27-M31 PolarHBondContact O-N 3.02Å; L27-M31 VanDerWaalsContact O-N 3.09Å; H28-M31 PolarHBondContact O-N 3.02Å; D29-M31 PolarHBondContact O-N 2.99Å; M31-P162 HydrophobicContact SD-CG 4.26Å
32	A	59.1	Low	71.7	Confident	75 Å²	75	71.1 Å²	71.1	62%	0.62	36%	0.362	S	S	*	.	H	α-helix	trans	-94.6	-18.6	178.1	0	0	0	0	0	113.4	H28 D29	H28-A32 PolarHBondContact O-N 2.99Å; H28-A32 VanDerWaalsContact O-N 3.09Å; D29-A32 PolarHBondContact O-N 3Å; D29-A32 VanDerWaalsContact O-N 3.17Å
33	E	77.9	Confident	74.2	Confident	81 Å²	81	65.2 Å²	65.2	38%	0.379	33%	0.326	S	S	.	.	S	Bend	trans	-66.2	137	177.1	-83.7	173.8	-177.1	0	0	112.2	D29 R35	D29-E33 WeakPolarHBondContact O-CG 3.44Å; D29-E33 PolarHBondContact O-N 2.89Å; E33-R35 PolarHBondContact O-N 3.29Å
34	R	87.6	Confident	76.7	Confident	124 Å²	124	63.1 Å²	63.1	47%	0.468	30%	0.304	S	S	.	.			trans	-55.7	120.8	173.8	-65	179.8	178.9	170.8	-1.6	109.4	L98 E185 W233	R34-L98 WeakPolarHBondContact O-CD2 3.47Å; R34-E185 WeakPolarHBondContact CD-O 3.4Å; R34-E185 WeakPolarHBondContact CG-O 3.18Å; R34-E185 PolarHBondContact NE-O 2.74Å; R34-W233 HydrophobicContact CB-CD2 4.27Å; R34-W233 HydrophobicContact CB-CE3 4.4Å; R34-W233 HydrophobicContact CB-CH2 4.2Å; R34-W233 HydrophobicContact CB-CZ2 4.04Å; R34-W233 HydrophobicContact CB-CZ3 4.39Å
35	R	93.5	Very high	79.4	Confident	65 Å²	65	52.9 Å²	52.9	25%	0.245	26%	0.26	C	S	.	.			trans	-151.8	130.5	179.6	179.8	172.5	-75.5	-168.7	-3.6	110.9	E33 I37 G97 L98 P187 A188	E33-R35 PolarHBondContact O-N 3.29Å; R35-I37 HydrophobicContact CG-CG1 4.27Å; R35-G97 PolarHBondContact NH2-O 2.88Å; R35-L98 CarbonylContact C-O 3.59Å; R35-L98 WeakPolarHBondContact CA-O 3.37Å; R35-P187 CarbonylContact O-C 3.52Å; R35-P187 VanDerWaalsContact O-CA 3.27Å; R35-P187 WeakPolarHBondContact O-CA 3.31Å; R35-A188 PolarHBondContact O-N 2.86Å
36	L	97.5	Very high	81.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.3	169.6	173.8	59.4	0	0	0	107.9	V38 L93 L98 L99 Q100 V190 I225 F229 W233	L36-V38 HydrophobicContact CD1-CG2 4.14Å; L36-V38 HydrophobicContact CD2-CG2 3.95Å; L36-V38 HydrophobicContact CG-CG2 3.87Å; L36-L93 HydrophobicContact CB-CD2 3.87Å; L36-L93 HydrophobicContact CD2-CD2 3.58Å; L36-L93 HydrophobicContact CG-CD2 4.35Å; L36-L98 PolarHBondContact N-O 2.81Å; L36-L99 HydrophobicContact CB-CD1 4.14Å; L36-L99 HydrophobicContact CD2-CD1 3.87Å; L36-L99 HydrophobicContact CG-CD1 3.83Å; L36-L99 CarbonylContact O-C 3.59Å; L36-L99 WeakPolarHBondContact O-CA 3.33Å; L36-Q100 PolarHBondContact O-N 2.85Å; L36-V190 HydrophobicContact CD1-CB 4.21Å; L36-V190 HydrophobicContact CD1-CG2 3.66Å; L36-I225 HydrophobicContact CD1-CG2 4.28Å; L36-I225 HydrophobicContact CD2-CG2 3.87Å; L36-F229 HydrophobicContact CB-CD1 3.87Å; L36-F229 HydrophobicContact CB-CE1 4.08Å; L36-F229 HydrophobicContact CB-CG 4.35Å; L36-F229 HydrophobicContact CD1-CD1 4.24Å; L36-F229 HydrophobicContact CD1-CD2 4.29Å; L36-F229 HydrophobicContact CD1-CE1 3.86Å; L36-F229 HydrophobicContact CD1-CE2 3.9Å; L36-F229 HydrophobicContact CD1-CG 4.45Å; L36-F229 HydrophobicContact CD1-CZ 3.68Å; L36-F229 HydrophobicContact CD2-CB 4.37Å; L36-F229 HydrophobicContact CD2-CD1 4.34Å; L36-F229 HydrophobicContact CD2-CD2 4.09Å; L36-F229 HydrophobicContact CD2-CG 4Å; L36-F229 HydrophobicContact CG-CD1 4.35Å; L36-F229 HydrophobicContact CG-CE1 4.42Å; L36-F229 HydrophobicContact CG-CG 4.49Å; L36-W233 HydrophobicContact CB-CH2 4.2Å; L36-W233 HydrophobicContact CB-CZ3 4.21Å
37	I	98.4	Very high	83.6	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.4	173.4	-57.8	160.2	0	0	0	106.8	R35 I39 Q100 Y102 L160 P161 A188 A189 V190	R35-I37 HydrophobicContact CG-CG1 4.27Å; I37-I39 HydrophobicContact CG2-CD1 4.07Å; I37-Q100 CarbonylContact C-O 3.59Å; I37-Q100 VanDerWaalsContact CA-O 3.3Å; I37-Q100 WeakPolarHBondContact CA-O 3.19Å; I37-Q100 HydrophobicContact CG1-CB 4.21Å; I37-Y102 HydrophobicContact CG2-CD2 3.65Å; I37-Y102 HydrophobicContact CG2-CE2 3.64Å; I37-L160 HydrophobicContact CD1-CD2 4.06Å; I37-L160 HydrophobicContact CG2-CD2 3.77Å; I37-P161 HydrophobicContact CD1-CG 3.85Å; I37-A188 PolarHBondContact N-O 2.87Å; I37-A189 HydrophobicContact CB-CB 4.4Å; I37-A189 CarbonylContact O-C 3.58Å; I37-A189 VanDerWaalsContact O-CA 3.31Å; I37-A189 WeakPolarHBondContact O-CA 3.37Å; I37-V190 PolarHBondContact O-N 2.9Å
38	V	98.7	Very high	85.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.9	176.2	178.1	0	0	0	0	109.3	L36 L40 L88 L99 Q100 V101 Y102 V190 I192	L36-V38 HydrophobicContact CD1-CG2 4.14Å; L36-V38 HydrophobicContact CD2-CG2 3.95Å; L36-V38 HydrophobicContact CG-CG2 3.87Å; V38-L40 HydrophobicContact CG1-CD2 4.07Å; V38-L88 HydrophobicContact CB-CD1 4.26Å; V38-L88 HydrophobicContact CB-CD2 4.14Å; V38-L88 HydrophobicContact CG1-CD1 3.83Å; V38-L88 HydrophobicContact CG1-CD2 4.09Å; V38-L88 HydrophobicContact CG2-CD2 3.81Å; V38-L99 HydrophobicContact CG2-CD1 3.9Å; V38-Q100 PolarHBondContact N-O 2.86Å; V38-V101 WeakPolarHBondContact O-CA 3.12Å; V38-Y102 PolarHBondContact O-N 2.85Å; V38-V190 WeakPolarHBondContact CA-O 3.42Å; V38-I192 HydrophobicContact CG1-CD1 3.92Å; V38-I192 HydrophobicContact CG1-CG1 4.43Å
39	I	98.8	Very high	87.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.6	171.9	-55.4	93.7	0	0	0	108.2	I37 E41 Y102 H104 V156 L160 A189 V190 V191 I192	I37-I39 HydrophobicContact CG2-CD1 4.07Å; I39-E41 PolarHBondContact O-N 2.84Å; I39-Y102 HydrophobicContact CG1-CD2 4.46Å; I39-H104 HydrophobicContact CG2-CB 4.39Å; I39-V156 HydrophobicContact CG1-CG2 3.95Å; I39-V156 HydrophobicContact CG2-CG2 4.48Å; I39-L160 HydrophobicContact CD1-CD2 4.45Å; I39-A189 HydrophobicContact CD1-CB 3.97Å; I39-V190 PolarHBondContact N-O 3.48Å; I39-V191 HydrophobicContact CB-CG2 4.47Å; I39-V191 HydrophobicContact CD1-CG2 4.26Å; I39-V191 WeakPolarHBondContact O-CA 3.35Å; I39-I192 PolarHBondContact O-N 3.47Å
40	L	98.8	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	101.3	170.1	-63.4	-175.5	0	0	0	108.6	V38 T81 C84 L85 L88 Y102 I103 H104 I192 A194	V38-L40 HydrophobicContact CG1-CD2 4.07Å; L40-T81 HydrophobicContact CD1-CG2 4.24Å; L40-C84 HydrophobicContact CD1-CB 3.7Å; L40-C84 HydrophobicContact CD2-CB 3.91Å; L40-C84 HydrophobicContact CG-CB 4.5Å; L40-L85 HydrophobicContact CD1-CD2 3.8Å; L40-L85 HydrophobicContact CD1-CG 4.14Å; L40-L88 HydrophobicContact CD1-CD1 4.23Å; L40-L88 HydrophobicContact CD2-CD1 4.21Å; L40-L88 HydrophobicContact CG-CD1 4.34Å; L40-Y102 PolarHBondContact N-O 2.87Å; L40-I103 HydrophobicContact CB-CG1 4.47Å; L40-I103 HydrophobicContact CD1-CG1 4.37Å; L40-H104 PolarHBondContact O-N 2.93Å; L40-I192 CarbonylContact C-O 3.54Å; L40-I192 WeakPolarHBondContact CA-O 3.46Å; L40-I192 HydrophobicContact CD2-CB 4.29Å; L40-A194 HydrophobicContact CB-CB 3.92Å
41	E	98.5	Very high	91.2	Very high	23 Å²	23	37.7 Å²	37.7	11%	0.107	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	140.4	-170.7	-177	55.8	-125.9	0	0	112.2	I39 A43 H104 V191 I192 A194 F195 V200 V202 Y204	I39-E41 PolarHBondContact O-N 2.84Å; E41-A43 VanDerWaalsContact C-N 3.33Å; E41-A43 PolarHBondContact O-N 2.81Å; E41-H104 VanDerWaalsContact CD-ND1 3.3Å; E41-H104 IonicContact OE1-CE1 3.82Å; E41-H104 IonicContact OE1-CG 3.39Å; E41-H104 IonicContact OE1-ND1 3.31Å; E41-H104 PolarHBondContact OE1-ND1 3.03Å; E41-H104 IonicContact OE2-CG 2.7Å; E41-H104 IonicContact OE2-ND1 2.62Å; E41-H104 PolarHBondContact OE2-ND1 3.28Å; E41-H104 VanDerWaalsContact OE2-ND1 3.14Å; E41-V191 HydrophobicContact CB-CG1 3.64Å; E41-V191 HydrophobicContact CG-CG1 4.17Å; E41-I192 PolarHBondContact N-O 2.96Å; E41-A194 PolarHBondContact O-N 3.07Å; E41-F195 WeakPolarHBondContact O-CD1 3.43Å; E41-V200 HydrophobicContact CG-CG1 4.49Å; E41-V202 HydrophobicContact CG-CG1 3.8Å; E41-Y204 PolarHBondContact OE2-OH 2.84Å
42	G	97.4	Very high	93	Very high	10 Å²	10	44.1 Å²	44.1	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.9	35.9	-180	0	0	0	0	0	114	S44 H104 E106	G42-S44 PolarHBondContact O-N 2.92Å; G42-H104 PolarHBondContact N-O 3.45Å; G42-E106 WeakPolarHBondContact O-CG 3.25Å
43	A	97.8	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.7	179.5	0	0	0	0	0	112.1	E41 V45 T81 I103 H104 T105 E106 A194	E41-A43 VanDerWaalsContact C-N 3.33Å; E41-A43 PolarHBondContact O-N 2.81Å; A43-V45 VanDerWaalsContact C-N 3.28Å; A43-V45 HydrophobicContact CB-CG2 4.11Å; A43-V45 PolarHBondContact O-N 3.36Å; A43-T81 HydrophobicContact CB-CG2 4.4Å; A43-T81 WeakPolarHBondContact CB-OG1 3.31Å; A43-I103 HydrophobicContact CB-CG2 3.32Å; A43-H104 PolarHBondContact N-O 2.64Å; A43-T105 VanDerWaalsContact O-CA 3.25Å; A43-T105 WeakPolarHBondContact O-CA 3.3Å; A43-T105 WeakPolarHBondContact O-CB 3.43Å; A43-E106 PolarHBondContact O-N 3.39Å; A43-A194 HydrophobicContact CB-CB 4.1Å
44	S	95.6	Very high	95.6	Very high	1 Å²	1	45 Å²	45	1%	0.007	23%	0.23	C	C	.	.			trans	-78.9	75	175.4	-161.4	0	0	0	0	110.9	G42 I76 P78	G42-S44 PolarHBondContact O-N 2.92Å; S44-I76 WeakPolarHBondContact OG-CA 3.43Å; S44-P78 WeakPolarHBondContact O-CA 3.2Å; S44-P78 VanDerWaalsContact O-CB 3.3Å; S44-P78 WeakPolarHBondContact O-CB 3.48Å
45	V	95.8	Very high	96	Very high	6 Å²	6	42 Å²	42	4%	0.036	22%	0.221	C	C	.	.			trans	-124.6	97.8	-178.4	-178.9	0	0	0	0	109.1	A43 L56 T81 T105 M130 L134	A43-V45 VanDerWaalsContact C-N 3.28Å; A43-V45 HydrophobicContact CB-CG2 4.11Å; A43-V45 PolarHBondContact O-N 3.36Å; V45-L56 HydrophobicContact CG1-CD1 4.06Å; V45-T81 HydrophobicContact CG2-CG2 4.25Å; V45-T105 HydrophobicContact CB-CG2 3.95Å; V45-M130 HydrophobicContact CG1-CB 4.17Å; V45-M130 HydrophobicContact CG1-CG 4.26Å; V45-M130 HydrophobicContact CG1-SD 4.25Å; V45-L134 HydrophobicContact CG1-CD1 4.17Å
46	E	95.1	Very high	96.2	Very high	14 Å²	14	39 Å²	39	7%	0.065	21%	0.21	C	C	.	.			trans	-148.1	153.1	179.7	68.8	179.7	130.9	0	0	112	L56 L57 R71 K107	E46-L56 VanDerWaalsContact O-CD1 3.31Å; E46-L56 WeakPolarHBondContact O-CD1 3.36Å; E46-L57 VanDerWaalsContact CD-CD2 3.42Å; E46-L57 HydrophobicContact CG-CB 3.62Å; E46-L57 HydrophobicContact CG-CD2 3.82Å; E46-L57 HydrophobicContact CG-CG 4.37Å; E46-L57 PolarHBondContact O-N 2.67Å; E46-L57 WeakPolarHBondContact OE1-CD2 3.31Å; E46-R71 IonicContact OE1-CZ 2.77Å; E46-R71 IonicContact OE1-NH1 2.64Å; E46-R71 PolarHBondContact OE1-NH1 2.98Å; E46-R71 IonicContact OE1-NH2 2.61Å; E46-R71 PolarHBondContact OE1-NH2 2.98Å; E46-R71 IonicContact OE2-NH1 2.67Å; E46-R71 PolarHBondContact OE2-NH1 2.96Å; E46-K107 HydrophobicContact CB-CD 4.1Å; E46-K107 WeakPolarHBondContact OE2-CE 3.49Å; E46-K107 IonicContact OE2-NZ 3.24Å; E46-K107 PolarHBondContact OE2-NZ 2.94Å
47	T	95.4	Very high	96.1	Very high	46 Å²	46	39.5 Å²	39.5	28%	0.282	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.7	177.8	51.3	0	0	0	0	112	E55 V131 L134	T47-E55 CarbonylContact C-O 3.6Å; T47-E55 WeakPolarHBondContact CA-O 3.37Å; T47-V131 HydrophobicContact CG2-CB 4.38Å; T47-V131 HydrophobicContact CG2-CG1 4.28Å; T47-V131 HydrophobicContact CG2-CG2 4.13Å; T47-L134 HydrophobicContact CG2-CB 4.06Å; T47-L134 HydrophobicContact CG2-CD1 3.7Å
48	V	95.4	Very high	95.8	Very high	27 Å²	27	39.5 Å²	39.5	16%	0.164	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.6	168.6	65.6	0	0	0	0	110.2	V50 F54 E55 L57 M65	V48-V50 HydrophobicContact CG1-CG2 4.06Å; V48-F54 WeakPolarHBondContact O-CA 3.38Å; V48-E55 HydrophobicContact CG1-CB 4.42Å; V48-E55 PolarHBondContact N-O 2.81Å; V48-E55 PolarHBondContact O-N 2.95Å; V48-L57 HydrophobicContact CB-CB 4.34Å; V48-L57 HydrophobicContact CB-CD1 3.67Å; V48-L57 HydrophobicContact CG1-CB 4.27Å; V48-L57 HydrophobicContact CG1-CD1 3.71Å; V48-L57 HydrophobicContact CG2-CD1 3.98Å; V48-M65 HydrophobicContact CG1-CE 4.31Å; V48-M65 HydrophobicContact CG2-CE 4.08Å; V48-M65 HydrophobicContact CG2-SD 4.11Å
49	K	94.8	Very high	95.5	Very high	133 Å²	133	40.6 Å²	40.6	58%	0.578	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	118.8	175.5	-172	179.2	-179	-178.9	0	109.7	G51 F54	K49-G51 WeakPolarHBondContact CE-O 3.44Å; K49-F54 HydrophobicContact CB-CD1 4.27Å; K49-F54 HydrophobicContact CB-CE1 4.05Å; K49-F54 HydrophobicContact CD-CZ 4.36Å; K49-F54 HydrophobicContact CG-CE1 4.31Å; K49-F54 HydrophobicContact CG-CZ 4.42Å
50	V	93.4	Very high	95.1	Very high	46 Å²	46	47.2 Å²	47.2	28%	0.279	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	103.4	177.1	-173.4	0	0	0	0	108.2	V48 K52 T53 E55 M65	V48-V50 HydrophobicContact CG1-CG2 4.06Å; V50-K52 PolarHBondContact O-N 2.73Å; V50-T53 PolarHBondContact N-O 3.24Å; V50-T53 PolarHBondContact O-N 2.95Å; V50-T53 PolarHBondContact O-OG1 3.48Å; V50-E55 HydrophobicContact CG2-CB 4.34Å; V50-E55 HydrophobicContact CG2-CG 4.34Å; V50-M65 HydrophobicContact CG2-CE 3.62Å; V50-M65 HydrophobicContact CG2-SD 4.47Å
51	G	91.9	Very high	94.8	Very high	66 Å²	66	53.2 Å²	53.2	68%	0.68	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-108.9	-173.2	0	0	0	0	0	112.2	K49	K49-G51 WeakPolarHBondContact CE-O 3.44Å
52	K	92.5	Very high	94.6	Very high	206 Å²	206	52.3 Å²	52.3	90%	0.896	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-7.1	179	-62	-173	-176.8	179.2	0	113.7	V50	V50-K52 PolarHBondContact O-N 2.73Å
53	T	94.7	Very high	94.4	Very high	78 Å²	78	57.6 Å²	57.6	48%	0.479	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	159	-176.8	47.8	0	0	0	0	111.4	V50	V50-T53 PolarHBondContact N-O 3.24Å; V50-T53 PolarHBondContact O-N 2.95Å; V50-T53 PolarHBondContact O-OG1 3.48Å
54	F	95.5	Very high	94.2	Very high	97 Å²	97	63.3 Å²	63.3	43%	0.425	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132	170.1	-71.9	-91.1	0	0	0	108.8	V48 K49 V131 H135	V48-F54 WeakPolarHBondContact O-CA 3.38Å; K49-F54 HydrophobicContact CB-CD1 4.27Å; K49-F54 HydrophobicContact CB-CE1 4.05Å; K49-F54 HydrophobicContact CD-CZ 4.36Å; K49-F54 HydrophobicContact CG-CE1 4.31Å; K49-F54 HydrophobicContact CG-CZ 4.42Å; F54-V131 HydrophobicContact CB-CG1 4.02Å; F54-H135 AromaticContact CD1-CE1 3.61Å; F54-H135 AromaticContact CD1-NE2 3.57Å; F54-H135 AromaticContact CD2-CE1 3.43Å; F54-H135 VanDerWaalsContact CD2-CE1 3.43Å; F54-H135 WeakPolarHBondContact CD2-CE1 3.45Å; F54-H135 AromaticContact CE1-CE1 3.95Å; F54-H135 AromaticContact CE2-CE1 3.78Å; F54-H135 AromaticContact CG-CE1 3.31Å; F54-H135 WeakPolarHBondContact CG-CE1 3.39Å; F54-H135 AromaticContact CG-NE2 3.5Å
55	E	96.6	Very high	94.1	Very high	60 Å²	60	66.5 Å²	66.5	28%	0.28	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.3	-177.6	-64.8	-178.5	-148.6	0	0	109.4	T47 V48 V50 L57 H62	T47-E55 CarbonylContact C-O 3.6Å; T47-E55 WeakPolarHBondContact CA-O 3.37Å; V48-E55 HydrophobicContact CG1-CB 4.42Å; V48-E55 PolarHBondContact N-O 2.81Å; V48-E55 PolarHBondContact O-N 2.95Å; V50-E55 HydrophobicContact CG2-CB 4.34Å; V50-E55 HydrophobicContact CG2-CG 4.34Å; E55-L57 PolarHBondContact O-N 3.49Å; E55-H62 IonicContact OE2-CE1 3.31Å; E55-H62 IonicContact OE2-NE2 3.06Å; E55-H62 PolarHBondContact OE2-NE2 2.92Å
56	L	96.7	Very high	94	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	123.4	173.9	-162.9	74.5	0	0	0	108.5	V45 E46 N58 H62 P78 F126 C127 M130 V131 L134	V45-L56 HydrophobicContact CG1-CD1 4.06Å; E46-L56 VanDerWaalsContact O-CD1 3.31Å; E46-L56 WeakPolarHBondContact O-CD1 3.36Å; L56-N58 PolarHBondContact O-N 2.99Å; L56-N58 PolarHBondContact O-ND2 3.24Å; L56-H62 PolarHBondContact O-CE1 3.15Å; L56-H62 PolarHBondContact O-ND1 3.03Å; L56-P78 HydrophobicContact CD2-CB 3.7Å; L56-P78 HydrophobicContact CD2-CG 4.3Å; L56-F126 HydrophobicContact CD2-CE1 4.34Å; L56-C127 HydrophobicContact CB-CB 3.85Å; L56-C127 HydrophobicContact CD2-CB 4.32Å; L56-M130 HydrophobicContact CD1-CB 3.79Å; L56-M130 HydrophobicContact CD2-CB 4.02Å; L56-M130 HydrophobicContact CD2-CG 4.31Å; L56-V131 HydrophobicContact CB-CG2 4.04Å; L56-L134 HydrophobicContact CD1-CD1 4.29Å
57	L	95.7	Very high	94	Very high	9 Å²	9	69.9 Å²	69.9	5%	0.047	36%	0.363	C	S	.	.			trans	-60.3	130.5	-178.8	-167.4	75.3	0	0	0	109.7	E46 V48 E55 H62 I66 I76 P78	E46-L57 VanDerWaalsContact CD-CD2 3.42Å; E46-L57 HydrophobicContact CG-CB 3.62Å; E46-L57 HydrophobicContact CG-CD2 3.82Å; E46-L57 HydrophobicContact CG-CG 4.37Å; E46-L57 PolarHBondContact O-N 2.67Å; E46-L57 WeakPolarHBondContact OE1-CD2 3.31Å; V48-L57 HydrophobicContact CB-CB 4.34Å; V48-L57 HydrophobicContact CB-CD1 3.67Å; V48-L57 HydrophobicContact CG1-CB 4.27Å; V48-L57 HydrophobicContact CG1-CD1 3.71Å; V48-L57 HydrophobicContact CG2-CD1 3.98Å; E55-L57 PolarHBondContact O-N 3.49Å; L57-H62 HydrophobicContact CD1-CB 3.7Å; L57-I66 HydrophobicContact CD1-CD1 4.36Å; L57-I66 HydrophobicContact CD1-CG1 3.87Å; L57-I66 HydrophobicContact CD2-CG1 4.15Å; L57-I66 HydrophobicContact CG-CD1 4.32Å; L57-I66 HydrophobicContact CG-CG1 4.13Å; L57-I76 HydrophobicContact CB-CG2 4.22Å; L57-I76 HydrophobicContact CD2-CD1 4.33Å; L57-I76 HydrophobicContact CD2-CG1 4.32Å; L57-I76 HydrophobicContact CD2-CG2 3.83Å; L57-I76 HydrophobicContact CG-CG2 3.77Å; L57-P78 WeakPolarHBondContact O-CG 3.33Å
58	N	93.5	Very high	93.8	Very high	4 Å²	4	76.4 Å²	76.4	2%	0.021	39%	0.388	C	S	.	.			trans	-152.5	152.4	-178.1	66.9	75.8	0	0	0	110.3	L56 D60 Q61 H62 P78	L56-N58 PolarHBondContact O-N 2.99Å; L56-N58 PolarHBondContact O-ND2 3.24Å; N58-D60 VanDerWaalsContact C-N 3.31Å; N58-D60 PolarHBondContact O-N 3.38Å; N58-D60 PolarHBondContact OD1-N 3.41Å; N58-Q61 PolarHBondContact ND2-OE1 3.22Å; N58-Q61 WeakPolarHBondContact OD1-CB 3.2Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.46Å; N58-Q61 PolarHBondContact OD1-N 3.24Å; N58-H62 PolarHBondContact N-ND1 3.37Å; N58-H62 VanDerWaalsContact N-ND1 3.14Å; N58-H62 PolarHBondContact ND2-CE1 3.19Å; N58-H62 PolarHBondContact ND2-ND1 3.22Å; N58-H62 VanDerWaalsContact O-CB 3.28Å; N58-H62 WeakPolarHBondContact O-CB 3.18Å; N58-H62 PolarHBondContact O-N 3.37Å; N58-H62 VanDerWaalsContact O-N 3.15Å; N58-P78 HydrophobicContact CB-CG 3.76Å
59	C	91.9	Very high	93.6	Very high	23 Å²	23	78.6 Å²	78.6	16%	0.155	40%	0.404	C	S	.	.	H	α-helix	trans	-62.7	-32	-174.3	60.5	0	0	0	0	114.3	K63 P73 I76 R77	C59-K63 WeakPolarHBondContact O-CB 3.47Å; C59-P73 HydrophobicContact CB-CB 4.43Å; C59-P73 WeakPolarHBondContact CB-O 3.32Å; C59-I76 WeakPolarHBondContact CB-O 3.35Å; C59-I76 PolarHBondContact N-O 3.31Å; C59-I76 VanDerWaalsContact N-O 3.17Å; C59-R77 VanDerWaalsContact SG-CD 3.59Å
60	D	90.1	Very high	93.5	Very high	140 Å²	140	75.7 Å²	75.7	75%	0.749	41%	0.412	S	S	*	.	H	α-helix	trans	-80.4	-46.9	-171.3	-62.3	-27.3	0	0	0	112.3	N58	N58-D60 VanDerWaalsContact C-N 3.31Å; N58-D60 PolarHBondContact O-N 3.38Å; N58-D60 PolarHBondContact OD1-N 3.41Å
61	Q	92	Very high	93.5	Very high	125 Å²	125	77.4 Å²	77.4	58%	0.584	41%	0.414	S	S	*	.	H	α-helix	trans	-87.2	-26.5	-175.9	-61.6	177.1	-43.5	0	0	112.5	N58	N58-Q61 PolarHBondContact ND2-OE1 3.22Å; N58-Q61 WeakPolarHBondContact OD1-CB 3.2Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.46Å; N58-Q61 PolarHBondContact OD1-N 3.24Å
62	H	95.1	Very high	93.5	Very high	5 Å²	5	78.3 Å²	78.3	2%	0.023	40%	0.403	C	S	.	.	H	α-helix	trans	-117.2	13.4	-167.6	-51.5	116	0	0	0	114.1	E55 L56 L57 N58 N64 M65 I66	E55-H62 IonicContact OE2-CE1 3.31Å; E55-H62 IonicContact OE2-NE2 3.06Å; E55-H62 PolarHBondContact OE2-NE2 2.92Å; L56-H62 PolarHBondContact O-CE1 3.15Å; L56-H62 PolarHBondContact O-ND1 3.03Å; L57-H62 HydrophobicContact CD1-CB 3.7Å; N58-H62 PolarHBondContact N-ND1 3.37Å; N58-H62 VanDerWaalsContact N-ND1 3.14Å; N58-H62 PolarHBondContact ND2-CE1 3.19Å; N58-H62 PolarHBondContact ND2-ND1 3.22Å; N58-H62 VanDerWaalsContact O-CB 3.28Å; N58-H62 WeakPolarHBondContact O-CB 3.18Å; N58-H62 PolarHBondContact O-N 3.37Å; N58-H62 VanDerWaalsContact O-N 3.15Å; H62-N64 VanDerWaalsContact C-N 3.34Å; H62-N64 PolarHBondContact O-N 3.09Å; H62-M65 HydrophobicContact CB-CE 3.82Å; H62-M65 WeakPolarHBondContact CD2-CE 3.49Å; H62-M65 PolarHBondContact O-N 3.25Å; H62-I66 HydrophobicContact CB-CD1 4.19Å; H62-I66 HydrophobicContact CB-CG1 4.39Å; H62-I66 WeakPolarHBondContact O-CG1 3.3Å; H62-I66 PolarHBondContact O-N 3.45Å
63	K	93.5	Very high	93.5	Very high	120 Å²	120	69.4 Å²	69.4	52%	0.522	37%	0.366	S	S	.	.	H	α-helix	trans	-44.7	-52.3	-176	-169.2	174.9	-178.9	175.8	0	114.1	C59 M65 I66 I67 P73	C59-K63 WeakPolarHBondContact O-CB 3.47Å; K63-M65 VanDerWaalsContact C-N 3.31Å; K63-M65 PolarHBondContact O-N 3.08Å; K63-I66 PolarHBondContact O-N 2.75Å; K63-I67 HydrophobicContact CG-CD1 3.97Å; K63-I67 WeakPolarHBondContact O-CG1 3.49Å; K63-I67 PolarHBondContact O-N 3.03Å; K63-P73 HydrophobicContact CG-CB 4.22Å; K63-P73 HydrophobicContact CG-CG 3.92Å
64	N	93.6	Very high	93.4	Very high	120 Å²	120	67.1 Å²	67.1	64%	0.642	36%	0.358	S	S	*	.	H	α-helix	trans	-65	-34.4	-177.4	-68.7	-24.7	0	0	0	112.7	H62 K68	H62-N64 VanDerWaalsContact C-N 3.34Å; H62-N64 PolarHBondContact O-N 3.09Å; N64-K68 WeakPolarHBondContact O-CB 3.38Å; N64-K68 VanDerWaalsContact O-CG 3.22Å; N64-K68 WeakPolarHBondContact O-CG 3.37Å; N64-K68 PolarHBondContact O-N 3.34Å; N64-K68 VanDerWaalsContact O-N 3.14Å
65	M	93.2	Very high	93.2	Very high	68 Å²	68	66 Å²	66	34%	0.335	35%	0.354	S	S	.	.	H	α-helix	trans	-73.1	-38.9	177.1	-66.8	-168.6	-75.2	0	0	111.4	V48 V50 H62 K63 K68 S69	V48-M65 HydrophobicContact CG1-CE 4.31Å; V48-M65 HydrophobicContact CG2-CE 4.08Å; V48-M65 HydrophobicContact CG2-SD 4.11Å; V50-M65 HydrophobicContact CG2-CE 3.62Å; V50-M65 HydrophobicContact CG2-SD 4.47Å; H62-M65 HydrophobicContact CB-CE 3.82Å; H62-M65 WeakPolarHBondContact CD2-CE 3.49Å; H62-M65 PolarHBondContact O-N 3.25Å; K63-M65 VanDerWaalsContact C-N 3.31Å; K63-M65 PolarHBondContact O-N 3.08Å; M65-K68 PolarHBondContact O-N 3.09Å; M65-S69 PolarHBondContact O-N 3.23Å
66	I	93.6	Very high	93.2	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-61.9	-48.6	177.1	-61.7	161.6	0	0	0	110.1	L57 H62 K63 K68 S69 G70 R71 P73 I76	L57-I66 HydrophobicContact CD1-CD1 4.36Å; L57-I66 HydrophobicContact CD1-CG1 3.87Å; L57-I66 HydrophobicContact CD2-CG1 4.15Å; L57-I66 HydrophobicContact CG-CD1 4.32Å; L57-I66 HydrophobicContact CG-CG1 4.13Å; H62-I66 HydrophobicContact CB-CD1 4.19Å; H62-I66 HydrophobicContact CB-CG1 4.39Å; H62-I66 WeakPolarHBondContact O-CG1 3.3Å; H62-I66 PolarHBondContact O-N 3.45Å; K63-I66 PolarHBondContact O-N 2.75Å; I66-K68 VanDerWaalsContact C-N 3.33Å; I66-K68 PolarHBondContact O-N 3.28Å; I66-S69 WeakPolarHBondContact O-CA 3.26Å; I66-S69 WeakPolarHBondContact O-CB 3.46Å; I66-S69 PolarHBondContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 3.08Å; I66-G70 PolarHBondContact O-N 3.49Å; I66-R71 HydrophobicContact CG2-CB 3.83Å; I66-R71 WeakPolarHBondContact CG2-O 3.41Å; I66-R71 PolarHBondContact O-N 2.96Å; I66-P73 HydrophobicContact CB-CG 4.22Å; I66-P73 HydrophobicContact CD1-CB 4.43Å; I66-P73 HydrophobicContact CG2-CB 4.39Å; I66-P73 HydrophobicContact CG2-CG 4.03Å; I66-I76 HydrophobicContact CD1-CB 3.94Å; I66-I76 HydrophobicContact CD1-CG1 3.82Å; I66-I76 HydrophobicContact CD1-CG2 4.13Å; I66-I76 HydrophobicContact CG1-CG1 4.2Å; I66-I76 HydrophobicContact CG2-CG1 3.9Å
67	I	94	Very high	93.2	Very high	91 Å²	91	67.1 Å²	67.1	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-43.2	177.2	-65.9	168.2	0	0	0	111	K63 S69 G70 P73	K63-I67 HydrophobicContact CG-CD1 3.97Å; K63-I67 WeakPolarHBondContact O-CG1 3.49Å; K63-I67 PolarHBondContact O-N 3.03Å; I67-S69 PolarHBondContact O-N 2.8Å; I67-G70 PolarHBondContact O-N 2.93Å; I67-P73 HydrophobicContact CD1-CG 4.15Å; I67-P73 HydrophobicContact CG1-CG 3.66Å
68	K	93.3	Very high	93.3	Very high	183 Å²	183	66.7 Å²	66.7	80%	0.796	35%	0.353	S	S	*	.	H	α-helix	trans	-62.1	-28.5	176	-77	175.7	-177.9	-174.8	0	113.3	N64 M65 I66 G70	N64-K68 WeakPolarHBondContact O-CB 3.38Å; N64-K68 VanDerWaalsContact O-CG 3.22Å; N64-K68 WeakPolarHBondContact O-CG 3.37Å; N64-K68 PolarHBondContact O-N 3.34Å; N64-K68 VanDerWaalsContact O-N 3.14Å; M65-K68 PolarHBondContact O-N 3.09Å; I66-K68 VanDerWaalsContact C-N 3.33Å; I66-K68 PolarHBondContact O-N 3.28Å; K68-G70 PolarHBondContact O-N 3.2Å
69	S	90.9	Very high	93.5	Very high	72 Å²	72	67.8 Å²	67.8	50%	0.503	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	0.9	173.9	73.3	0	0	0	0	113.9	M65 I66 I67 R71	M65-S69 PolarHBondContact O-N 3.23Å; I66-S69 WeakPolarHBondContact O-CA 3.26Å; I66-S69 WeakPolarHBondContact O-CB 3.46Å; I66-S69 PolarHBondContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 3.08Å; I67-S69 PolarHBondContact O-N 2.8Å; S69-R71 VanDerWaalsContact C-N 3.28Å; S69-R71 PolarHBondContact O-N 2.84Å
70	G	92.5	Very high	93.8	Very high	73 Å²	73	67.9 Å²	67.9	75%	0.753	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	14.7	-178.5	0	0	0	0	0	114.2	I66 I67 K68	I66-G70 PolarHBondContact O-N 3.49Å; I67-G70 PolarHBondContact O-N 2.93Å; K68-G70 PolarHBondContact O-N 3.2Å
71	R	92.1	Very high	94.2	Very high	81 Å²	81	61.2 Å²	61.2	31%	0.306	32%	0.322	S	S	.	.			trans	-103.2	156.4	180	-67	172.1	70.6	-163.9	7.1	110.5	E46 I66 S69 P73 E106	E46-R71 IonicContact OE1-CZ 2.77Å; E46-R71 IonicContact OE1-NH1 2.64Å; E46-R71 PolarHBondContact OE1-NH1 2.98Å; E46-R71 IonicContact OE1-NH2 2.61Å; E46-R71 PolarHBondContact OE1-NH2 2.98Å; E46-R71 IonicContact OE2-NH1 2.67Å; E46-R71 PolarHBondContact OE2-NH1 2.96Å; I66-R71 HydrophobicContact CG2-CB 3.83Å; I66-R71 WeakPolarHBondContact CG2-O 3.41Å; I66-R71 PolarHBondContact O-N 2.96Å; S69-R71 VanDerWaalsContact C-N 3.28Å; S69-R71 PolarHBondContact O-N 2.84Å; R71-P73 WeakPolarHBondContact O-CD 3.44Å; R71-E106 IonicContact NH2-OE2 3.34Å
72	D	92.5	Very high	94.5	Very high	85 Å²	85	55.7 Å²	55.7	46%	0.455	30%	0.296	S	S	.	.			trans	-84.5	120.9	175	175.6	19.3	0	0	0	111	G74 H75	D72-G74 PolarHBondContact O-N 2.91Å; D72-G74 VanDerWaalsContact O-N 3.16Å; D72-G74 PolarHBondContact OD1-N 3.07Å; D72-H75 PolarHBondContact O-N 3.32Å; D72-H75 VanDerWaalsContact O-N 3.16Å; D72-H75 IonicContact OD2-CE1 3.64Å; D72-H75 PolarHBondContact OD2-CE1 3.11Å; D72-H75 VanDerWaalsContact OD2-CE1 3.29Å; D72-H75 IonicContact OD2-ND1 3.17Å; D72-H75 PolarHBondContact OD2-ND1 2.8Å
73	P	92.8	Very high	94.7	Very high	19 Å²	19	59.9 Å²	59.9	12%	0.123	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-53.3	-30.2	172.3	-24.9	34.2	0	0	0	114.1	C59 K63 I66 I67 R71 H75 I76	C59-P73 HydrophobicContact CB-CB 4.43Å; C59-P73 WeakPolarHBondContact CB-O 3.32Å; K63-P73 HydrophobicContact CG-CB 4.22Å; K63-P73 HydrophobicContact CG-CG 3.92Å; I66-P73 HydrophobicContact CB-CG 4.22Å; I66-P73 HydrophobicContact CD1-CB 4.43Å; I66-P73 HydrophobicContact CG2-CB 4.39Å; I66-P73 HydrophobicContact CG2-CG 4.03Å; I67-P73 HydrophobicContact CD1-CG 4.15Å; I67-P73 HydrophobicContact CG1-CG 3.66Å; R71-P73 WeakPolarHBondContact O-CD 3.44Å; P73-H75 PolarHBondContact O-N 2.62Å; P73-I76 PolarHBondContact O-N 2.9Å; P73-I76 VanDerWaalsContact O-N 3.11Å
74	G	92.8	Very high	94.9	Very high	30 Å²	30	54.2 Å²	54.2	31%	0.309	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-59.7	-26.3	179.7	0	0	0	0	0	113.9	D72 R77 A196	D72-G74 PolarHBondContact O-N 2.91Å; D72-G74 VanDerWaalsContact O-N 3.16Å; D72-G74 PolarHBondContact OD1-N 3.07Å; G74-R77 WeakPolarHBondContact O-CG 3.5Å; G74-A196 WeakPolarHBondContact O-CB 3.27Å
75	H	91.9	Very high	95.2	Very high	73 Å²	73	48.5 Å²	48.5	34%	0.338	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-86.1	-16	-179.8	-70	75.7	0	0	0	113.2	D72 P73 R77	D72-H75 PolarHBondContact O-N 3.32Å; D72-H75 VanDerWaalsContact O-N 3.16Å; D72-H75 IonicContact OD2-CE1 3.64Å; D72-H75 PolarHBondContact OD2-CE1 3.11Å; D72-H75 VanDerWaalsContact OD2-CE1 3.29Å; D72-H75 IonicContact OD2-ND1 3.17Å; D72-H75 PolarHBondContact OD2-ND1 2.8Å; P73-H75 PolarHBondContact O-N 2.62Å; H75-R77 PolarHBondContact O-N 3.49Å; H75-R77 VanDerWaalsContact O-N 3.14Å
76	I	95.4	Very high	95.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.25	C	S	.	.			trans	-91.1	81.6	-175.4	-48.2	-53	0	0	0	110.7	S44 L57 C59 I66 P73 P78	S44-I76 WeakPolarHBondContact OG-CA 3.43Å; L57-I76 HydrophobicContact CB-CG2 4.22Å; L57-I76 HydrophobicContact CD2-CD1 4.33Å; L57-I76 HydrophobicContact CD2-CG1 4.32Å; L57-I76 HydrophobicContact CD2-CG2 3.83Å; L57-I76 HydrophobicContact CG-CG2 3.77Å; C59-I76 WeakPolarHBondContact CB-O 3.35Å; C59-I76 PolarHBondContact N-O 3.31Å; C59-I76 VanDerWaalsContact N-O 3.17Å; I66-I76 HydrophobicContact CD1-CB 3.94Å; I66-I76 HydrophobicContact CD1-CG1 3.82Å; I66-I76 HydrophobicContact CD1-CG2 4.13Å; I66-I76 HydrophobicContact CG1-CG1 4.2Å; I66-I76 HydrophobicContact CG2-CG1 3.9Å; P73-I76 PolarHBondContact O-N 2.9Å; P73-I76 VanDerWaalsContact O-N 3.11Å; I76-P78 VanDerWaalsContact C-CD 3.44Å; I76-P78 WeakPolarHBondContact O-CD 3.4Å
77	R	96.6	Very high	95.6	Very high	86 Å²	86	50.2 Å²	50.2	33%	0.325	27%	0.269	S	S	.	.			trans	-125.8	65.4	-170.7	-67	-67.1	-59.4	-77.2	-3	113.6	C59 G74 H75 D79 I80 A196	C59-R77 VanDerWaalsContact SG-CD 3.59Å; G74-R77 WeakPolarHBondContact O-CG 3.5Å; H75-R77 PolarHBondContact O-N 3.49Å; H75-R77 VanDerWaalsContact O-N 3.14Å; R77-D79 VanDerWaalsContact C-OD1 3.31Å; R77-D79 VanDerWaalsContact CA-OD1 3.32Å; R77-D79 WeakPolarHBondContact CA-OD1 3.33Å; R77-D79 WeakPolarHBondContact CB-OD1 3.47Å; R77-D79 WeakPolarHBondContact CD-OD1 3.35Å; R77-D79 IonicContact CZ-OD1 3.29Å; R77-D79 IonicContact CZ-OD2 3.8Å; R77-D79 IonicContact NE-OD1 2.83Å; R77-D79 PolarHBondContact NE-OD1 3.02Å; R77-D79 IonicContact NE-OD2 3.72Å; R77-D79 PolarHBondContact NE-OD2 3.33Å; R77-D79 IonicContact NH2-OD1 2.79Å; R77-D79 IonicContact NH2-OD2 3.24Å; R77-D79 PolarHBondContact NH2-OD2 3.11Å; R77-D79 PolarHBondContact O-N 2.85Å; R77-D79 VanDerWaalsContact O-N 3.13Å; R77-I80 HydrophobicContact CB-CD1 3.6Å; R77-I80 HydrophobicContact CB-CG1 3.96Å; R77-I80 HydrophobicContact CG-CD1 4.36Å; R77-I80 WeakPolarHBondContact O-CB 3.04Å; R77-I80 PolarHBondContact O-N 3.01Å; R77-I80 VanDerWaalsContact O-N 3.14Å; R77-A196 HydrophobicContact CB-CB 4.23Å; R77-A196 HydrophobicContact CG-CB 3.8Å
78	P	97.4	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-21.4	173.5	23.8	-37.1	0	0	0	114.4	S44 L56 L57 N58 I76 I80 T81 H82 F123	S44-P78 WeakPolarHBondContact O-CA 3.2Å; S44-P78 VanDerWaalsContact O-CB 3.3Å; S44-P78 WeakPolarHBondContact O-CB 3.48Å; L56-P78 HydrophobicContact CD2-CB 3.7Å; L56-P78 HydrophobicContact CD2-CG 4.3Å; L57-P78 WeakPolarHBondContact O-CG 3.33Å; N58-P78 HydrophobicContact CB-CG 3.76Å; I76-P78 VanDerWaalsContact C-CD 3.44Å; I76-P78 WeakPolarHBondContact O-CD 3.4Å; P78-I80 PolarHBondContact O-N 2.77Å; P78-T81 PolarHBondContact O-N 2.67Å; P78-H82 PolarHBondContact O-N 3.35Å; P78-F123 HydrophobicContact CB-CE2 4.3Å; P78-F123 HydrophobicContact CB-CZ 4.32Å; P78-F123 HydrophobicContact CG-CE2 4.25Å; P78-F123 HydrophobicContact CG-CZ 3.81Å
79	D	97.9	Very high	96.1	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-29.2	176.3	61.6	-65	0	0	0	112.7	R77 H82 Q83 F123	R77-D79 VanDerWaalsContact C-OD1 3.31Å; R77-D79 VanDerWaalsContact CA-OD1 3.32Å; R77-D79 WeakPolarHBondContact CA-OD1 3.33Å; R77-D79 WeakPolarHBondContact CB-OD1 3.47Å; R77-D79 WeakPolarHBondContact CD-OD1 3.35Å; R77-D79 IonicContact CZ-OD1 3.29Å; R77-D79 IonicContact CZ-OD2 3.8Å; R77-D79 IonicContact NE-OD1 2.83Å; R77-D79 PolarHBondContact NE-OD1 3.02Å; R77-D79 IonicContact NE-OD2 3.72Å; R77-D79 PolarHBondContact NE-OD2 3.33Å; R77-D79 IonicContact NH2-OD1 2.79Å; R77-D79 IonicContact NH2-OD2 3.24Å; R77-D79 PolarHBondContact NH2-OD2 3.11Å; R77-D79 PolarHBondContact O-N 2.85Å; R77-D79 VanDerWaalsContact O-N 3.13Å; D79-H82 WeakPolarHBondContact O-CB 3.27Å; D79-H82 PolarHBondContact O-N 2.98Å; D79-Q83 VanDerWaalsContact O-CG 3.31Å; D79-Q83 WeakPolarHBondContact O-CG 3.15Å; D79-Q83 PolarHBondContact O-N 3.14Å; D79-F123 HydrophobicContact CB-CD2 4.23Å; D79-F123 HydrophobicContact CB-CE2 3.89Å; D79-F123 HydrophobicContact CB-CZ 4.34Å
80	I	98.4	Very high	96.3	Very high	24 Å²	24	37.1 Å²	37.1	12%	0.123	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-49.3	174.9	-64.6	173.7	0	0	0	109.8	R77 P78 H82 Q83 C84 F195 A196 A218	R77-I80 HydrophobicContact CB-CD1 3.6Å; R77-I80 HydrophobicContact CB-CG1 3.96Å; R77-I80 HydrophobicContact CG-CD1 4.36Å; R77-I80 WeakPolarHBondContact O-CB 3.04Å; R77-I80 PolarHBondContact O-N 3.01Å; R77-I80 VanDerWaalsContact O-N 3.14Å; P78-I80 PolarHBondContact O-N 2.77Å; I80-H82 VanDerWaalsContact C-N 3.33Å; I80-H82 PolarHBondContact O-N 3.13Å; I80-Q83 PolarHBondContact O-N 3.1Å; I80-C84 PolarHBondContact O-N 3.21Å; I80-C84 PolarHBondContact O-SG 3.12Å; I80-F195 WeakPolarHBondContact CD1-O 3.27Å; I80-A196 HydrophobicContact CD1-CB 4.25Å; I80-A218 HydrophobicContact CG2-CB 3.82Å
81	T	98.4	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-44.4	176.8	-61.6	0	0	0	0	110.4	L40 A43 V45 P78 Q83 C84 L85 I103 F126	L40-T81 HydrophobicContact CD1-CG2 4.24Å; A43-T81 HydrophobicContact CB-CG2 4.4Å; A43-T81 WeakPolarHBondContact CB-OG1 3.31Å; V45-T81 HydrophobicContact CG2-CG2 4.25Å; P78-T81 PolarHBondContact O-N 2.67Å; T81-Q83 PolarHBondContact O-N 3.43Å; T81-C84 PolarHBondContact O-N 2.88Å; T81-L85 HydrophobicContact CG2-CD1 4.06Å; T81-L85 HydrophobicContact CG2-CG 4.31Å; T81-L85 VanDerWaalsContact O-CG 3.26Å; T81-L85 WeakPolarHBondContact O-CG 3.5Å; T81-L85 PolarHBondContact O-N 3.31Å; T81-I103 HydrophobicContact CG2-CD1 4.02Å; T81-I103 HydrophobicContact CG2-CG1 4.38Å; T81-I103 HydrophobicContact CG2-CG2 4.38Å; T81-F126 HydrophobicContact CG2-CZ 4.43Å
82	H	98.7	Very high	96.9	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.046	17%	0.171	C	C	.	.	H	α-helix	trans	-54.4	-52.2	177.1	179.1	-136.1	0	0	0	112	P78 D79 I80 C84 L85 L86 P120 R121 F123 F126	P78-H82 PolarHBondContact O-N 3.35Å; D79-H82 WeakPolarHBondContact O-CB 3.27Å; D79-H82 PolarHBondContact O-N 2.98Å; I80-H82 VanDerWaalsContact C-N 3.33Å; I80-H82 PolarHBondContact O-N 3.13Å; H82-C84 PolarHBondContact O-N 3.38Å; H82-L85 PolarHBondContact O-N 2.87Å; H82-L86 WeakPolarHBondContact O-CG 3.45Å; H82-L86 PolarHBondContact O-N 3.29Å; H82-P120 PolarHBondContact NE2-O 3.38Å; H82-R121 PolarHBondContact CE1-O 3.39Å; H82-F123 HydrophobicContact CB-CD2 4.16Å; H82-F123 HydrophobicContact CB-CE2 4.48Å; H82-F123 AromaticContact ND1-CD2 3.71Å; H82-F126 HydrophobicContact CB-CD1 3.68Å; H82-F126 HydrophobicContact CB-CD2 4.46Å; H82-F126 HydrophobicContact CB-CE1 3.69Å; H82-F126 HydrophobicContact CB-CE2 4.47Å; H82-F126 HydrophobicContact CB-CG 4.07Å; H82-F126 HydrophobicContact CB-CZ 4.1Å; H82-F126 AromaticContact CD2-CD1 3.93Å; H82-F126 AromaticContact CD2-CD2 3.62Å; H82-F126 AromaticContact CD2-CG 3.41Å; H82-F126 VanDerWaalsContact CD2-CG 3.41Å; H82-F126 WeakPolarHBondContact CD2-CG 3.37Å; H82-F126 AromaticContact CG-CD1 3.84Å; H82-F126 AromaticContact CG-CG 3.81Å
83	Q	98.6	Very high	97	Very high	93 Å²	93	28.6 Å²	28.6	44%	0.435	15%	0.15	S	C	.	.	H	α-helix	trans	-63.1	-40.4	179.9	-69.1	171.4	11.7	0	0	112.5	D79 I80 T81 L85 L86 M87 A219	D79-Q83 VanDerWaalsContact O-CG 3.31Å; D79-Q83 WeakPolarHBondContact O-CG 3.15Å; D79-Q83 PolarHBondContact O-N 3.14Å; I80-Q83 PolarHBondContact O-N 3.1Å; T81-Q83 PolarHBondContact O-N 3.43Å; Q83-L85 VanDerWaalsContact C-N 3.35Å; Q83-L85 PolarHBondContact O-N 3.44Å; Q83-L86 PolarHBondContact O-N 2.85Å; Q83-M87 WeakPolarHBondContact O-CG 3.38Å; Q83-M87 PolarHBondContact O-N 3.25Å; Q83-M87 VanDerWaalsContact O-N 3.11Å; Q83-A219 HydrophobicContact CB-CB 3.85Å
84	C	98.8	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-48.3	174.9	-66	0	0	0	0	111.2	L40 I80 T81 H82 L86 M87 L88 A218 A219	L40-C84 HydrophobicContact CD1-CB 3.7Å; L40-C84 HydrophobicContact CD2-CB 3.91Å; L40-C84 HydrophobicContact CG-CB 4.5Å; I80-C84 PolarHBondContact O-N 3.21Å; I80-C84 PolarHBondContact O-SG 3.12Å; T81-C84 PolarHBondContact O-N 2.88Å; H82-C84 PolarHBondContact O-N 3.38Å; C84-L86 VanDerWaalsContact C-N 3.3Å; C84-L86 PolarHBondContact O-N 2.96Å; C84-M87 PolarHBondContact O-N 3.18Å; C84-M87 VanDerWaalsContact O-N 3.15Å; C84-L88 WeakPolarHBondContact O-CB 3.48Å; C84-L88 VanDerWaalsContact O-CG 3.26Å; C84-L88 WeakPolarHBondContact O-CG 3.25Å; C84-L88 PolarHBondContact O-N 3.41Å; C84-A218 WeakPolarHBondContact SG-CB 3.31Å; C84-A219 PolarHBondContact SG-N 3.11Å
85	L	98.6	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-36.6	178.5	-66.3	176.9	0	0	0	112.5	L40 T81 H82 Q83 M87 M89 V101 I103 I113 I119 F126	L40-L85 HydrophobicContact CD1-CD2 3.8Å; L40-L85 HydrophobicContact CD1-CG 4.14Å; T81-L85 HydrophobicContact CG2-CD1 4.06Å; T81-L85 HydrophobicContact CG2-CG 4.31Å; T81-L85 VanDerWaalsContact O-CG 3.26Å; T81-L85 WeakPolarHBondContact O-CG 3.5Å; T81-L85 PolarHBondContact O-N 3.31Å; H82-L85 PolarHBondContact O-N 2.87Å; Q83-L85 VanDerWaalsContact C-N 3.35Å; Q83-L85 PolarHBondContact O-N 3.44Å; L85-M87 VanDerWaalsContact C-N 3.35Å; L85-M89 VanDerWaalsContact O-CB 3.23Å; L85-M89 WeakPolarHBondContact O-CB 3.47Å; L85-M89 WeakPolarHBondContact O-CG 3.38Å; L85-M89 PolarHBondContact O-N 3.31Å; L85-V101 HydrophobicContact CD2-CG1 3.86Å; L85-I103 HydrophobicContact CD1-CD1 3.94Å; L85-I103 HydrophobicContact CD2-CD1 4.32Å; L85-I103 HydrophobicContact CD2-CG1 4.43Å; L85-I113 HydrophobicContact CD1-CD1 4.17Å; L85-I113 HydrophobicContact CD2-CD1 3.23Å; L85-I113 HydrophobicContact CG-CD1 4.31Å; L85-I119 HydrophobicContact CB-CD1 4.38Å; L85-I119 HydrophobicContact CB-CG1 4.09Å; L85-I119 HydrophobicContact CB-CG2 4.21Å; L85-I119 HydrophobicContact CD1-CD1 4.21Å; L85-F126 HydrophobicContact CD1-CE2 3.72Å; L85-F126 HydrophobicContact CD1-CZ 4.24Å
86	L	98.6	Very high	97.4	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.12	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-43.4	174.1	-65.8	-175.5	0	0	0	111.6	H82 Q83 C84 D90 I119	H82-L86 WeakPolarHBondContact O-CG 3.45Å; H82-L86 PolarHBondContact O-N 3.29Å; Q83-L86 PolarHBondContact O-N 2.85Å; C84-L86 VanDerWaalsContact C-N 3.3Å; C84-L86 PolarHBondContact O-N 2.96Å; L86-D90 VanDerWaalsContact O-CB 3.24Å; L86-D90 WeakPolarHBondContact O-CB 3.22Å; L86-D90 VanDerWaalsContact O-CG 3.26Å; L86-D90 PolarHBondContact O-N 3.36Å; L86-I119 HydrophobicContact CD2-CB 4Å; L86-I119 HydrophobicContact CD2-CG2 3.7Å
87	M	98.3	Very high	97.3	Very high	82 Å²	82	32.3 Å²	32.3	40%	0.404	17%	0.166	S	C	.	.	H	α-helix	trans	-67.6	-46.1	178.2	-63.7	-61.6	94.5	0	0	112	Q83 C84 L85 S91 A219 C222 A223	Q83-M87 WeakPolarHBondContact O-CG 3.38Å; Q83-M87 PolarHBondContact O-N 3.25Å; Q83-M87 VanDerWaalsContact O-N 3.11Å; C84-M87 PolarHBondContact O-N 3.18Å; C84-M87 VanDerWaalsContact O-N 3.15Å; L85-M87 VanDerWaalsContact C-N 3.35Å; M87-S91 PolarHBondContact O-N 3.28Å; M87-A219 HydrophobicContact CG-CB 4.08Å; M87-C222 HydrophobicContact CB-CB 4.39Å; M87-A223 HydrophobicContact CB-CB 4.48Å
88	L	98.6	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-51	-179.1	-71.1	172	0	0	0	111.7	V38 L40 C84 D90 S91 L99 V101 C222	V38-L88 HydrophobicContact CB-CD1 4.26Å; V38-L88 HydrophobicContact CB-CD2 4.14Å; V38-L88 HydrophobicContact CG1-CD1 3.83Å; V38-L88 HydrophobicContact CG1-CD2 4.09Å; V38-L88 HydrophobicContact CG2-CD2 3.81Å; L40-L88 HydrophobicContact CD1-CD1 4.23Å; L40-L88 HydrophobicContact CD2-CD1 4.21Å; L40-L88 HydrophobicContact CG-CD1 4.34Å; C84-L88 WeakPolarHBondContact O-CB 3.48Å; C84-L88 VanDerWaalsContact O-CG 3.26Å; C84-L88 WeakPolarHBondContact O-CG 3.25Å; C84-L88 PolarHBondContact O-N 3.41Å; L88-D90 VanDerWaalsContact C-N 3.3Å; L88-D90 PolarHBondContact O-N 3.05Å; L88-S91 WeakPolarHBondContact O-CB 3.45Å; L88-S91 PolarHBondContact O-N 3.36Å; L88-S91 PolarHBondContact O-OG 3.13Å; L88-L99 HydrophobicContact CB-CD2 4.02Å; L88-L99 HydrophobicContact CD2-CD2 4.36Å; L88-L99 WeakPolarHBondContact O-CD2 3.42Å; L88-V101 HydrophobicContact CB-CG2 4.14Å; L88-V101 HydrophobicContact CD1-CG1 3.86Å; L88-V101 HydrophobicContact CD1-CG2 4.03Å; L88-C222 HydrophobicContact CD2-CB 3.71Å; L88-C222 HydrophobicContact CG-CB 3.85Å
89	M	97.8	Very high	97.3	Very high	13 Å²	13	30.3 Å²	30.3	6%	0.064	16%	0.162	C	C	.	.	H	α-helix	trans	-74.8	-21.1	-172.4	-59.1	-59.7	-68.5	0	0	112.9	L85 N94 V101 I113 N114 P115 T117 I119	L85-M89 VanDerWaalsContact O-CB 3.23Å; L85-M89 WeakPolarHBondContact O-CB 3.47Å; L85-M89 WeakPolarHBondContact O-CG 3.38Å; L85-M89 PolarHBondContact O-N 3.31Å; M89-N94 PolarHBondContact O-ND2 3.06Å; M89-V101 HydrophobicContact SD-CG2 4.15Å; M89-I113 HydrophobicContact CE-CG2 3.9Å; M89-I113 HydrophobicContact SD-CG2 4.07Å; M89-N114 WeakPolarHBondContact CE-O 3.35Å; M89-P115 WeakPolarHBondContact CE-O 3.38Å; M89-T117 VanDerWaalsContact CE-O 3.25Å; M89-T117 WeakPolarHBondContact CE-O 3.28Å; M89-I119 HydrophobicContact CB-CG1 4.22Å; M89-I119 HydrophobicContact CG-CD1 4.49Å; M89-I119 HydrophobicContact CG-CG1 3.7Å
90	D	96.4	Very high	97.3	Very high	58 Å²	58	29.7 Å²	29.7	31%	0.31	16%	0.158	S	C	.	.	H	α-helix	trans	-84.2	-18.9	175.2	-79.7	3.8	0	0	0	114.4	L86 L88 R121	L86-D90 VanDerWaalsContact O-CB 3.24Å; L86-D90 WeakPolarHBondContact O-CB 3.22Å; L86-D90 VanDerWaalsContact O-CG 3.26Å; L86-D90 PolarHBondContact O-N 3.36Å; L88-D90 VanDerWaalsContact C-N 3.3Å; L88-D90 PolarHBondContact O-N 3.05Å; D90-R121 VanDerWaalsContact CG-NH1 3.29Å; D90-R121 IonicContact OD1-CZ 3.57Å; D90-R121 VanDerWaalsContact OD1-CZ 3.31Å; D90-R121 IonicContact OD1-NH1 3.79Å; D90-R121 PolarHBondContact OD1-NH1 3.2Å; D90-R121 IonicContact OD1-NH2 2.73Å; D90-R121 PolarHBondContact OD1-NH2 3.3Å; D90-R121 IonicContact OD2-CZ 2.67Å; D90-R121 IonicContact OD2-NH1 3.67Å; D90-R121 PolarHBondContact OD2-NH1 3.25Å; D90-R121 IonicContact OD2-NH2 3.14Å; D90-R121 PolarHBondContact OD2-NH2 3.17Å
91	S	97.7	Very high	97.3	Very high	8 Å²	8	28.6 Å²	28.6	6%	0.056	15%	0.152	C	C	.	.	S	Bend	trans	-53.4	139.3	-176.1	66	0	0	0	0	111.9	M87 L88 L93 N94 R95 E230	M87-S91 PolarHBondContact O-N 3.28Å; L88-S91 WeakPolarHBondContact O-CB 3.45Å; L88-S91 PolarHBondContact O-N 3.36Å; L88-S91 PolarHBondContact O-OG 3.13Å; S91-L93 PolarHBondContact O-N 3.17Å; S91-L93 VanDerWaalsContact O-N 3.16Å; S91-N94 PolarHBondContact O-N 3.19Å; S91-N94 WeakPolarHBondContact OG-CB 3.41Å; S91-N94 PolarHBondContact OG-N 2.97Å; S91-N94 VanDerWaalsContact OG-N 3.08Å; S91-R95 PolarHBondContact O-N 3.06Å; S91-E230 WeakPolarHBondContact CB-OE1 3.48Å
92	P	97.7	Very high	97.4	Very high	52 Å²	52	29.3 Å²	29.3	34%	0.338	16%	0.155	S	C	.	.	H	α-helix	trans	-46.6	-37.5	165.1	-29.1	33.1	0	0	0	112.5	N94 R95 A96 E230 V235	P92-N94 PolarHBondContact O-N 2.93Å; P92-R95 CarbonylContact O-C 3.58Å; P92-R95 PolarHBondContact O-N 3.27Å; P92-R95 VanDerWaalsContact O-N 3.15Å; P92-A96 WeakPolarHBondContact O-CB 3.37Å; P92-A96 PolarHBondContact O-N 3.48Å; P92-E230 HydrophobicContact CB-CG 4.37Å; P92-E230 WeakPolarHBondContact CD-OE1 3.4Å; P92-V235 HydrophobicContact CB-CG1 3.86Å
93	L	96.4	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-43.3	176.8	-158.4	65.8	0	0	0	113.6	L36 S91 A96 G97 L98 F229 E230 W233 V235	L36-L93 HydrophobicContact CB-CD2 3.87Å; L36-L93 HydrophobicContact CD2-CD2 3.58Å; L36-L93 HydrophobicContact CG-CD2 4.35Å; S91-L93 PolarHBondContact O-N 3.17Å; S91-L93 VanDerWaalsContact O-N 3.16Å; L93-A96 PolarHBondContact O-N 2.73Å; L93-G97 PolarHBondContact O-N 3.24Å; L93-L98 HydrophobicContact CD1-CB 3.87Å; L93-L98 HydrophobicContact CD1-CD1 4.16Å; L93-L98 HydrophobicContact CG-CB 4.12Å; L93-L98 PolarHBondContact O-N 2.95Å; L93-L98 VanDerWaalsContact O-N 3.1Å; L93-F229 HydrophobicContact CD1-CB 4.39Å; L93-F229 HydrophobicContact CD2-CB 3.73Å; L93-E230 HydrophobicContact CB-CG 3.79Å; L93-E230 WeakPolarHBondContact CB-OE1 3.2Å; L93-E230 HydrophobicContact CD1-CG 4.08Å; L93-E230 HydrophobicContact CG-CG 4.43Å; L93-E230 PolarHBondContact N-OE1 3.14Å; L93-W233 HydrophobicContact CD1-CE3 3.85Å; L93-W233 HydrophobicContact CD1-CZ3 4.22Å; L93-V235 HydrophobicContact CD1-CG2 4.13Å
94	N	97.2	Very high	97.4	Very high	15 Å²	15	25.9 Å²	25.9	8%	0.08	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-43.2	175.2	-173.3	48.9	0	0	0	111.5	M89 S91 P92 A96 G97 L99 P115	M89-N94 PolarHBondContact O-ND2 3.06Å; S91-N94 PolarHBondContact O-N 3.19Å; S91-N94 WeakPolarHBondContact OG-CB 3.41Å; S91-N94 PolarHBondContact OG-N 2.97Å; S91-N94 VanDerWaalsContact OG-N 3.08Å; P92-N94 PolarHBondContact O-N 2.93Å; N94-A96 PolarHBondContact O-N 2.84Å; N94-G97 PolarHBondContact O-N 3.42Å; N94-L99 HydrophobicContact CB-CB 4.04Å; N94-L99 HydrophobicContact CB-CD2 3.78Å; N94-P115 PolarHBondContact ND2-O 2.97Å; N94-P115 VanDerWaalsContact ND2-O 3.1Å; N94-P115 WeakPolarHBondContact OD1-CB 3.3Å
95	R	93.6	Very high	97.3	Very high	120 Å²	120	26 Å²	26	45%	0.453	14%	0.14	S	C	.	.	H	α-helix	trans	-64.6	-29.3	178.1	-61.4	-178.1	-179.2	-152.8	2.8	112.4	Y15 S91 P92 G97	Y15-R95 WeakPolarHBondContact OH-CD 3.36Å; Y15-R95 PolarHBondContact OH-NH1 2.81Å; S91-R95 PolarHBondContact O-N 3.06Å; P92-R95 CarbonylContact O-C 3.58Å; P92-R95 PolarHBondContact O-N 3.27Å; P92-R95 VanDerWaalsContact O-N 3.15Å; R95-G97 PolarHBondContact O-N 3.44Å
96	A	94.2	Very high	97.1	Very high	50 Å²	50	30.1 Å²	30.1	41%	0.413	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.3	172.7	0	0	0	0	0	113.6	P92 L93 N94 L98 V235	P92-A96 WeakPolarHBondContact O-CB 3.37Å; P92-A96 PolarHBondContact O-N 3.48Å; L93-A96 PolarHBondContact O-N 2.73Å; N94-A96 PolarHBondContact O-N 2.84Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 HydrophobicContact CB-CD1 4.02Å; A96-L98 HydrophobicContact CB-CG 4.13Å; A96-V235 HydrophobicContact CB-CG1 3.99Å; A96-V235 HydrophobicContact CB-CG2 4.3Å
97	G	94.3	Very high	96.9	Very high	17 Å²	17	35.4 Å²	35.4	18%	0.175	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	15.7	-178.4	0	0	0	0	0	114.3	R35 L93 N94 R95	R35-G97 PolarHBondContact NH2-O 2.88Å; L93-G97 PolarHBondContact O-N 3.24Å; N94-G97 PolarHBondContact O-N 3.42Å; R95-G97 PolarHBondContact O-N 3.44Å
98	L	96.1	Very high	96.8	Very high	44 Å²	44	36.4 Å²	36.4	23%	0.23	19%	0.188	C	C	.	.			trans	-102.9	8.5	-174.9	-57.9	172.4	0	0	0	112.8	R34 R35 L36 L93 A96 W233 V235	R34-L98 WeakPolarHBondContact O-CD2 3.47Å; R35-L98 CarbonylContact C-O 3.59Å; R35-L98 WeakPolarHBondContact CA-O 3.37Å; L36-L98 PolarHBondContact N-O 2.81Å; L93-L98 HydrophobicContact CD1-CB 3.87Å; L93-L98 HydrophobicContact CD1-CD1 4.16Å; L93-L98 HydrophobicContact CG-CB 4.12Å; L93-L98 PolarHBondContact O-N 2.95Å; L93-L98 VanDerWaalsContact O-N 3.1Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 HydrophobicContact CB-CD1 4.02Å; A96-L98 HydrophobicContact CB-CG 4.13Å; L98-W233 HydrophobicContact CB-CE3 4.32Å; L98-W233 HydrophobicContact CB-CZ3 4.15Å; L98-W233 HydrophobicContact CD1-CE3 4.17Å; L98-V235 HydrophobicContact CD1-CG2 3.74Å
99	L	97.7	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.3	177	-174	66.5	0	0	0	111.2	L36 V38 L88 N94 V101	L36-L99 HydrophobicContact CB-CD1 4.14Å; L36-L99 HydrophobicContact CD2-CD1 3.87Å; L36-L99 HydrophobicContact CG-CD1 3.83Å; L36-L99 CarbonylContact O-C 3.59Å; L36-L99 WeakPolarHBondContact O-CA 3.33Å; V38-L99 HydrophobicContact CG2-CD1 3.9Å; L88-L99 HydrophobicContact CB-CD2 4.02Å; L88-L99 HydrophobicContact CD2-CD2 4.36Å; L88-L99 WeakPolarHBondContact O-CD2 3.42Å; N94-L99 HydrophobicContact CB-CB 4.04Å; N94-L99 HydrophobicContact CB-CD2 3.78Å; L99-V101 HydrophobicContact CD1-CG2 4.38Å; L99-V101 HydrophobicContact CD2-CG2 3.87Å; L99-V101 HydrophobicContact CG-CG2 3.91Å
100	Q	97.9	Very high	96.8	Very high	14 Å²	14	36.8 Å²	36.8	7%	0.065	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.1	163.8	178.5	58.4	55.7	0	0	108.6	L36 I37 V38 Y102 I113	L36-Q100 PolarHBondContact O-N 2.85Å; I37-Q100 CarbonylContact C-O 3.59Å; I37-Q100 VanDerWaalsContact CA-O 3.3Å; I37-Q100 WeakPolarHBondContact CA-O 3.19Å; I37-Q100 HydrophobicContact CG1-CB 4.21Å; V38-Q100 PolarHBondContact N-O 2.86Å; Q100-Y102 HydrophobicContact CG-CD2 4.31Å; Q100-Y102 HydrophobicContact CG-CE2 3.65Å; Q100-I113 PolarHBondContact NE2-O 2.64Å
101	V	98.6	Very high	96.9	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.1	-179.3	-174.3	0	0	0	0	110.2	V38 L85 L88 M89 L99 I113	V38-V101 WeakPolarHBondContact O-CA 3.12Å; L85-V101 HydrophobicContact CD2-CG1 3.86Å; L88-V101 HydrophobicContact CB-CG2 4.14Å; L88-V101 HydrophobicContact CD1-CG1 3.86Å; L88-V101 HydrophobicContact CD1-CG2 4.03Å; M89-V101 HydrophobicContact SD-CG2 4.15Å; L99-V101 HydrophobicContact CD1-CG2 4.38Å; L99-V101 HydrophobicContact CD2-CG2 3.87Å; L99-V101 HydrophobicContact CG-CG2 3.91Å; V101-I113 HydrophobicContact CB-CB 4.29Å; V101-I113 HydrophobicContact CB-CD1 4.24Å; V101-I113 HydrophobicContact CG1-CD1 3.9Å; V101-I113 PolarHBondContact O-N 3.37Å; V101-I113 VanDerWaalsContact O-N 3.11Å
102	Y	98.8	Very high	96.9	Very high	15 Å²	15	36.4 Å²	36.4	6%	0.059	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147	168.4	-63.8	-78.2	0	0	0	110.1	I37 V38 I39 L40 Q100 I111 E112 I152 V156 H159	I37-Y102 HydrophobicContact CG2-CD2 3.65Å; I37-Y102 HydrophobicContact CG2-CE2 3.64Å; V38-Y102 PolarHBondContact O-N 2.85Å; I39-Y102 HydrophobicContact CG1-CD2 4.46Å; L40-Y102 PolarHBondContact N-O 2.87Å; Q100-Y102 HydrophobicContact CG-CD2 4.31Å; Q100-Y102 HydrophobicContact CG-CE2 3.65Å; Y102-I111 CarbonylContact C-O 3.57Å; Y102-I111 VanDerWaalsContact CA-O 3.27Å; Y102-I111 WeakPolarHBondContact CA-O 3.4Å; Y102-E112 HydrophobicContact CD1-CB 4.07Å; Y102-E112 HydrophobicContact CD1-CG 4.32Å; Y102-E112 HydrophobicContact CE1-CB 3.83Å; Y102-E112 HydrophobicContact CE1-CG 3.71Å; Y102-I152 HydrophobicContact CD1-CD1 3.89Å; Y102-I152 HydrophobicContact CE1-CD1 3.61Å; Y102-V156 HydrophobicContact CD2-CG2 4.34Å; Y102-V156 HydrophobicContact CG-CG2 4.28Å; Y102-H159 HydrophobicContact CE1-CB 4.4Å
103	I	98.8	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.4	167.8	-54.7	163.9	0	0	0	107.3	L40 A43 T81 L85 T105 L110 I111 I113	L40-I103 HydrophobicContact CB-CG1 4.47Å; L40-I103 HydrophobicContact CD1-CG1 4.37Å; A43-I103 HydrophobicContact CB-CG2 3.32Å; T81-I103 HydrophobicContact CG2-CD1 4.02Å; T81-I103 HydrophobicContact CG2-CG1 4.38Å; T81-I103 HydrophobicContact CG2-CG2 4.38Å; L85-I103 HydrophobicContact CD1-CD1 3.94Å; L85-I103 HydrophobicContact CD2-CD1 4.32Å; L85-I103 HydrophobicContact CD2-CG1 4.43Å; I103-T105 HydrophobicContact CG2-CG2 4.24Å; I103-L110 WeakPolarHBondContact O-CA 3.34Å; I103-I111 HydrophobicContact CB-CB 4.18Å; I103-I111 HydrophobicContact CB-CD1 4.49Å; I103-I111 PolarHBondContact N-O 3.41Å; I103-I111 PolarHBondContact O-N 3.04Å; I103-I113 HydrophobicContact CD1-CD1 3.79Å; I103-I113 HydrophobicContact CD1-CG1 4.48Å; I103-I113 HydrophobicContact CG1-CD1 4.03Å
104	H	98.5	Very high	96.9	Very high	30 Å²	30	35.9 Å²	35.9	14%	0.139	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.9	168.2	-173.4	-122.8	0	0	0	108.5	I39 L40 E41 G42 A43 N108 A109 L110	I39-H104 HydrophobicContact CG2-CB 4.39Å; L40-H104 PolarHBondContact O-N 2.93Å; E41-H104 VanDerWaalsContact CD-ND1 3.3Å; E41-H104 IonicContact OE1-CE1 3.82Å; E41-H104 IonicContact OE1-CG 3.39Å; E41-H104 IonicContact OE1-ND1 3.31Å; E41-H104 PolarHBondContact OE1-ND1 3.03Å; E41-H104 IonicContact OE2-CG 2.7Å; E41-H104 IonicContact OE2-ND1 2.62Å; E41-H104 PolarHBondContact OE2-ND1 3.28Å; E41-H104 VanDerWaalsContact OE2-ND1 3.14Å; G42-H104 PolarHBondContact N-O 3.45Å; A43-H104 PolarHBondContact N-O 2.64Å; H104-N108 PolarHBondContact NE2-OD1 3.32Å; H104-N108 VanDerWaalsContact NE2-OD1 3.08Å; H104-A109 WeakPolarHBondContact CA-O 3.44Å; H104-L110 HydrophobicContact CB-CD1 4.14Å
105	T	97.7	Very high	96.8	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	160	-173.8	74.6	0	0	0	0	112.1	A43 V45 I103 K107 N108 A109 I111	A43-T105 VanDerWaalsContact O-CA 3.25Å; A43-T105 WeakPolarHBondContact O-CA 3.3Å; A43-T105 WeakPolarHBondContact O-CB 3.43Å; V45-T105 HydrophobicContact CB-CG2 3.95Å; I103-T105 HydrophobicContact CG2-CG2 4.24Å; T105-K107 PolarHBondContact O-N 3.14Å; T105-K107 PolarHBondContact OG1-N 3.02Å; T105-N108 PolarHBondContact O-N 3.41Å; T105-A109 HydrophobicContact CG2-CB 4.14Å; T105-A109 PolarHBondContact N-O 3.08Å; T105-A109 WeakPolarHBondContact OG1-CB 3.17Å; T105-A109 PolarHBondContact OG1-N 3.37Å; T105-A109 VanDerWaalsContact OG1-N 3.07Å; T105-I111 HydrophobicContact CG2-CD1 4.2Å
106	E	94.9	Very high	96.8	Very high	86 Å²	86	36 Å²	36	40%	0.402	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.8	171.6	-64.8	-178.1	172	0	0	113.1	G42 A43 R71 N108	G42-E106 WeakPolarHBondContact O-CG 3.25Å; A43-E106 PolarHBondContact O-N 3.39Å; R71-E106 IonicContact NH2-OE2 3.34Å; E106-N108 VanDerWaalsContact C-N 3.29Å; E106-N108 PolarHBondContact O-N 3.44Å
107	K	94.8	Very high	96.8	Very high	135 Å²	135	34 Å²	34	59%	0.587	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	22	176.8	-70.9	-169.8	164.2	176.7	0	113.3	E46 T105 A109	E46-K107 HydrophobicContact CB-CD 4.1Å; E46-K107 WeakPolarHBondContact OE2-CE 3.49Å; E46-K107 IonicContact OE2-NZ 3.24Å; E46-K107 PolarHBondContact OE2-NZ 2.94Å; T105-K107 PolarHBondContact O-N 3.14Å; T105-K107 PolarHBondContact OG1-N 3.02Å; K107-A109 PolarHBondContact O-N 3.1Å
108	N	95.9	Very high	96.9	Very high	103 Å²	103	42.9 Å²	42.9	55%	0.551	20%	0.202	S	C	*	.	S	Bend	trans	58.6	28.9	176.1	-166.5	30.6	0	0	0	113.3	H104 T105 E106 N154	H104-N108 PolarHBondContact NE2-OD1 3.32Å; H104-N108 VanDerWaalsContact NE2-OD1 3.08Å; T105-N108 PolarHBondContact O-N 3.41Å; E106-N108 VanDerWaalsContact C-N 3.29Å; E106-N108 PolarHBondContact O-N 3.44Å; N108-N154 PolarHBondContact O-ND2 2.92Å; N108-N154 PolarHBondContact OD1-ND2 3.16Å; N108-N154 VanDerWaalsContact OD1-ND2 3.08Å
109	A	97.4	Very high	96.9	Very high	19 Å²	19	41.3 Å²	41.3	16%	0.157	19%	0.194	C	C	.	.			trans	-91.9	131.9	171.2	0	0	0	0	0	109	H104 T105 K107 M151	H104-A109 WeakPolarHBondContact CA-O 3.44Å; T105-A109 HydrophobicContact CG2-CB 4.14Å; T105-A109 PolarHBondContact N-O 3.08Å; T105-A109 WeakPolarHBondContact OG1-CB 3.17Å; T105-A109 PolarHBondContact OG1-N 3.37Å; T105-A109 VanDerWaalsContact OG1-N 3.07Å; K107-A109 PolarHBondContact O-N 3.1Å; A109-M151 HydrophobicContact CB-SD 3.98Å
110	L	98.5	Very high	96.9	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.7	176.2	-173.6	64.3	0	0	0	110.2	I103 H104 M151 I152 N154 V156	I103-L110 WeakPolarHBondContact O-CA 3.34Å; H104-L110 HydrophobicContact CB-CD1 4.14Å; L110-M151 CarbonylContact O-C 3.53Å; L110-M151 WeakPolarHBondContact O-CA 3.36Å; L110-I152 HydrophobicContact CB-CG1 4.08Å; L110-I152 HydrophobicContact CD2-CD1 3.56Å; L110-I152 HydrophobicContact CD2-CG1 3.72Å; L110-I152 HydrophobicContact CG-CD1 3.79Å; L110-I152 HydrophobicContact CG-CG1 3.62Å; L110-I152 PolarHBondContact O-N 3.18Å; L110-N154 WeakPolarHBondContact CB-OD1 3.5Å; L110-V156 HydrophobicContact CD1-CB 4.01Å; L110-V156 HydrophobicContact CD1-CG2 3.96Å; L110-V156 HydrophobicContact CD2-CB 3.92Å; L110-V156 HydrophobicContact CD2-CG2 4.21Å
111	I	98.6	Very high	96.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.5	-176.8	-61.3	160.9	0	0	0	108.6	Y102 I103 T105 I113 L133 K150 M151	Y102-I111 CarbonylContact C-O 3.57Å; Y102-I111 VanDerWaalsContact CA-O 3.27Å; Y102-I111 WeakPolarHBondContact CA-O 3.4Å; I103-I111 HydrophobicContact CB-CB 4.18Å; I103-I111 HydrophobicContact CB-CD1 4.49Å; I103-I111 PolarHBondContact N-O 3.41Å; I103-I111 PolarHBondContact O-N 3.04Å; T105-I111 HydrophobicContact CG2-CD1 4.2Å; I111-I113 HydrophobicContact CG2-CG1 4.47Å; I111-L133 HydrophobicContact CB-CD2 4.48Å; I111-L133 HydrophobicContact CD1-CD2 3.79Å; I111-L133 HydrophobicContact CG1-CD2 4.04Å; I111-L133 HydrophobicContact CG2-CD2 3.62Å; I111-K150 WeakPolarHBondContact CA-O 3.41Å; I111-M151 HydrophobicContact CG1-CG 4.33Å; I111-M151 HydrophobicContact CG1-SD 4.34Å
112	E	98.4	Very high	96.8	Very high	58 Å²	58	52 Å²	52	27%	0.271	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.7	169.6	-176.4	-174	176.5	0	0	109.7	Y102 K150 I152	Y102-E112 HydrophobicContact CD1-CB 4.07Å; Y102-E112 HydrophobicContact CD1-CG 4.32Å; Y102-E112 HydrophobicContact CE1-CB 3.83Å; Y102-E112 HydrophobicContact CE1-CG 3.71Å; E112-K150 PolarHBondContact N-O 3.14Å; E112-K150 PolarHBondContact O-N 3.11Å; E112-K150 VanDerWaalsContact O-N 3.07Å; E112-I152 HydrophobicContact CB-CD1 4.05Å; E112-I152 HydrophobicContact CB-CG1 4.3Å; E112-I152 HydrophobicContact CB-CG2 4.01Å
113	I	98.1	Very high	96.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.5	176.1	-51.2	-174.9	0	0	0	109.3	L85 M89 Q100 V101 I103 I111 T117 L149	L85-I113 HydrophobicContact CD1-CD1 4.17Å; L85-I113 HydrophobicContact CD2-CD1 3.23Å; L85-I113 HydrophobicContact CG-CD1 4.31Å; M89-I113 HydrophobicContact CE-CG2 3.9Å; M89-I113 HydrophobicContact SD-CG2 4.07Å; Q100-I113 PolarHBondContact NE2-O 2.64Å; V101-I113 HydrophobicContact CB-CB 4.29Å; V101-I113 HydrophobicContact CB-CD1 4.24Å; V101-I113 HydrophobicContact CG1-CD1 3.9Å; V101-I113 PolarHBondContact O-N 3.37Å; V101-I113 VanDerWaalsContact O-N 3.11Å; I103-I113 HydrophobicContact CD1-CD1 3.79Å; I103-I113 HydrophobicContact CD1-CG1 4.48Å; I103-I113 HydrophobicContact CG1-CD1 4.03Å; I111-I113 HydrophobicContact CG2-CG1 4.47Å; I113-T117 HydrophobicContact CG2-CG2 4.39Å; I113-L149 HydrophobicContact CB-CD2 4.13Å; I113-L149 HydrophobicContact CD1-CD2 4.3Å; I113-L149 HydrophobicContact CG1-CD2 3.72Å; I113-L149 HydrophobicContact CG2-CD2 3.91Å
114	N	95.9	Very high	96.6	Very high	39 Å²	39	59.2 Å²	59.2	21%	0.209	29%	0.286	C	S	.	.			trans	-69.4	132.4	172	-174.5	-40.6	0	0	0	109.5	M89 Q116 T117 K147 L148	M89-N114 WeakPolarHBondContact CE-O 3.35Å; N114-Q116 PolarHBondContact O-N 3.34Å; N114-Q116 WeakPolarHBondContact OD1-CB 3.47Å; N114-Q116 PolarHBondContact OD1-N 3.26Å; N114-T117 WeakPolarHBondContact O-CB 3.5Å; N114-T117 PolarHBondContact O-N 3.48Å; N114-T117 PolarHBondContact O-OG1 3.42Å; N114-K147 PolarHBondContact ND2-O 2.79Å; N114-L148 WeakPolarHBondContact CB-O 3.27Å; N114-L148 PolarHBondContact N-O 3.31Å
115	P	95.2	Very high	96.6	Very high	37 Å²	37	66.6 Å²	66.6	24%	0.24	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-26.4	177.2	-31.2	37.7	0	0	0	115.4	M89 N94 T117	M89-P115 WeakPolarHBondContact CE-O 3.38Å; N94-P115 PolarHBondContact ND2-O 2.97Å; N94-P115 VanDerWaalsContact ND2-O 3.1Å; N94-P115 WeakPolarHBondContact OD1-CB 3.3Å; P115-T117 VanDerWaalsContact C-N 3.26Å; P115-T117 PolarHBondContact O-N 3.47Å
116	Q	93	Very high	96.6	Very high	100 Å²	100	66.5 Å²	66.5	47%	0.467	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.8	178	-62.9	-174.6	-29.2	0	0	113.9	N114 R118 L148	N114-Q116 PolarHBondContact O-N 3.34Å; N114-Q116 WeakPolarHBondContact OD1-CB 3.47Å; N114-Q116 PolarHBondContact OD1-N 3.26Å; Q116-R118 PolarHBondContact O-N 3.27Å; Q116-L148 HydrophobicContact CB-CD2 4.5Å
117	T	94.8	Very high	96.7	Very high	8 Å²	8	63 Å²	63	5%	0.049	30%	0.297	C	S	.	.			trans	-67.4	118.6	-177.8	-54.6	0	0	0	0	110.7	M89 I113 N114 P115 I119 L148 L149	M89-T117 VanDerWaalsContact CE-O 3.25Å; M89-T117 WeakPolarHBondContact CE-O 3.28Å; I113-T117 HydrophobicContact CG2-CG2 4.39Å; N114-T117 WeakPolarHBondContact O-CB 3.5Å; N114-T117 PolarHBondContact O-N 3.48Å; N114-T117 PolarHBondContact O-OG1 3.42Å; P115-T117 VanDerWaalsContact C-N 3.26Å; P115-T117 PolarHBondContact O-N 3.47Å; T117-I119 HydrophobicContact CG2-CD1 3.85Å; T117-I119 PolarHBondContact O-N 3.06Å; T117-L148 HydrophobicContact CG2-CB 4.25Å; T117-L148 WeakPolarHBondContact OG1-CB 3.21Å; T117-L148 PolarHBondContact OG1-O 2.86Å; T117-L149 HydrophobicContact CG2-CD2 4.31Å; T117-L149 HydrophobicContact CG2-CG 4.24Å
118	R	94.4	Very high	96.8	Very high	204 Å²	204	58.6 Å²	58.6	77%	0.77	29%	0.29	S	S	*	.			trans	-85	106.2	169	-67.7	-176.5	-178.3	-109.2	5.1	109.8	Q116	Q116-R118 PolarHBondContact O-N 3.27Å
119	I	97.2	Very high	96.8	Very high	12 Å²	12	55 Å²	55	6%	0.062	27%	0.271	C	S	.	.			trans	-70.4	129	178.5	-56.7	-65.5	0	0	0	109.4	L85 L86 M89 T117 R121 F126	L85-I119 HydrophobicContact CB-CD1 4.38Å; L85-I119 HydrophobicContact CB-CG1 4.09Å; L85-I119 HydrophobicContact CB-CG2 4.21Å; L85-I119 HydrophobicContact CD1-CD1 4.21Å; L86-I119 HydrophobicContact CD2-CB 4Å; L86-I119 HydrophobicContact CD2-CG2 3.7Å; M89-I119 HydrophobicContact CB-CG1 4.22Å; M89-I119 HydrophobicContact CG-CD1 4.49Å; M89-I119 HydrophobicContact CG-CG1 3.7Å; T117-I119 HydrophobicContact CG2-CD1 3.85Å; T117-I119 PolarHBondContact O-N 3.06Å; I119-R121 PolarHBondContact O-N 3.13Å; I119-F126 HydrophobicContact CG2-CD2 4.14Å
120	P	97.7	Very high	96.8	Very high	30 Å²	30	54.1 Å²	54.1	20%	0.195	26%	0.263	C	S	.	.			trans	-58.4	131.9	177.6	-24.5	33.4	0	0	0	111.9	H82 R125 L129	H82-P120 PolarHBondContact NE2-O 3.38Å; P120-R125 HydrophobicContact CB-CB 3.59Å; P120-R125 HydrophobicContact CG-CB 4.26Å; P120-L129 HydrophobicContact CG-CD2 3.91Å
121	R	97.2	Very high	96.8	Very high	140 Å²	140	55 Å²	55	53%	0.528	27%	0.268	S	S	.	.	S	Bend	trans	-71.4	-31.4	-179.4	-58.9	-52.3	-175.8	159.5	2.5	113.8	H82 D90 I119	H82-R121 PolarHBondContact CE1-O 3.39Å; D90-R121 VanDerWaalsContact CG-NH1 3.29Å; D90-R121 IonicContact OD1-CZ 3.57Å; D90-R121 VanDerWaalsContact OD1-CZ 3.31Å; D90-R121 IonicContact OD1-NH1 3.79Å; D90-R121 PolarHBondContact OD1-NH1 3.2Å; D90-R121 IonicContact OD1-NH2 2.73Å; D90-R121 PolarHBondContact OD1-NH2 3.3Å; D90-R121 IonicContact OD2-CZ 2.67Å; D90-R121 IonicContact OD2-NH1 3.67Å; D90-R121 PolarHBondContact OD2-NH1 3.25Å; D90-R121 IonicContact OD2-NH2 3.14Å; D90-R121 PolarHBondContact OD2-NH2 3.17Å; I119-R121 PolarHBondContact O-N 3.13Å
122	T	97.7	Very high	96.7	Very high	70 Å²	70	58.7 Å²	58.7	43%	0.429	29%	0.286	S	S	.	.	S	Bend	trans	-86.3	132.1	176.8	61.4	0	0	0	0	110	T124 R125 F126	T122-T124 VanDerWaalsContact C-N 3.3Å; T122-T124 PolarHBondContact O-N 3.15Å; T122-R125 PolarHBondContact O-N 3.34Å; T122-R125 VanDerWaalsContact O-N 3.13Å; T122-R125 WeakPolarHBondContact OG1-CB 3.44Å; T122-R125 WeakPolarHBondContact OG1-CD 3.45Å; T122-R125 VanDerWaalsContact OG1-CG 3.26Å; T122-R125 WeakPolarHBondContact OG1-CG 3.16Å; T122-F126 PolarHBondContact O-N 3.17Å; T122-F126 VanDerWaalsContact O-N 3.12Å
123	F	96.8	Very high	96.6	Very high	57 Å²	57	56 Å²	56	25%	0.25	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-41	-177.5	179.1	-113.3	0	0	0	112.3	P78 D79 H82 R125 F126 C127	P78-F123 HydrophobicContact CB-CE2 4.3Å; P78-F123 HydrophobicContact CB-CZ 4.32Å; P78-F123 HydrophobicContact CG-CE2 4.25Å; P78-F123 HydrophobicContact CG-CZ 3.81Å; D79-F123 HydrophobicContact CB-CD2 4.23Å; D79-F123 HydrophobicContact CB-CE2 3.89Å; D79-F123 HydrophobicContact CB-CZ 4.34Å; H82-F123 HydrophobicContact CB-CD2 4.16Å; H82-F123 HydrophobicContact CB-CE2 4.48Å; H82-F123 AromaticContact ND1-CD2 3.71Å; F123-R125 VanDerWaalsContact C-N 3.33Å; F123-R125 PolarHBondContact O-N 3.27Å; F123-F126 HydrophobicContact CD2-CD1 4.17Å; F123-F126 HydrophobicContact CE2-CD1 4.15Å; F123-F126 WeakPolarHBondContact O-CB 3.13Å; F123-F126 PolarHBondContact O-N 2.86Å; F123-F126 VanDerWaalsContact O-N 3.11Å; F123-C127 VanDerWaalsContact CE1-SG 3.57Å; F123-C127 WeakPolarHBondContact CZ-SG 3.43Å; F123-C127 PolarHBondContact O-N 3.15Å; F123-C127 PolarHBondContact O-SG 2.91Å
124	T	96.3	Very high	96.5	Very high	109 Å²	109	57.5 Å²	57.5	67%	0.669	28%	0.281	S	S	*	.	H	α-helix	trans	-57.8	-40.6	176.8	-45.8	0	0	0	0	113.3	T122 C127 G128	T122-T124 VanDerWaalsContact C-N 3.3Å; T122-T124 PolarHBondContact O-N 3.15Å; T124-C127 PolarHBondContact O-N 3.22Å; T124-G128 PolarHBondContact O-N 3.16Å
125	R	97.2	Very high	96.5	Very high	186 Å²	186	60 Å²	60	70%	0.702	29%	0.291	S	S	*	.	H	α-helix	trans	-71.9	-36.8	177.5	-71.2	-177.8	-173.4	173.7	2.7	111.4	P120 T122 F123 C127 G128 L129	P120-R125 HydrophobicContact CB-CB 3.59Å; P120-R125 HydrophobicContact CG-CB 4.26Å; T122-R125 PolarHBondContact O-N 3.34Å; T122-R125 VanDerWaalsContact O-N 3.13Å; T122-R125 WeakPolarHBondContact OG1-CB 3.44Å; T122-R125 WeakPolarHBondContact OG1-CD 3.45Å; T122-R125 VanDerWaalsContact OG1-CG 3.26Å; T122-R125 WeakPolarHBondContact OG1-CG 3.16Å; F123-R125 VanDerWaalsContact C-N 3.33Å; F123-R125 PolarHBondContact O-N 3.27Å; R125-C127 VanDerWaalsContact C-N 3.34Å; R125-G128 PolarHBondContact O-N 3.01Å; R125-L129 PolarHBondContact O-N 2.91Å
126	F	98	Very high	96.5	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-44.8	172.1	169.4	-98.7	0	0	0	111.5	L56 T81 H82 L85 I119 T122 F123 G128 L129 M130	L56-F126 HydrophobicContact CD2-CE1 4.34Å; T81-F126 HydrophobicContact CG2-CZ 4.43Å; H82-F126 HydrophobicContact CB-CD1 3.68Å; H82-F126 HydrophobicContact CB-CD2 4.46Å; H82-F126 HydrophobicContact CB-CE1 3.69Å; H82-F126 HydrophobicContact CB-CE2 4.47Å; H82-F126 HydrophobicContact CB-CG 4.07Å; H82-F126 HydrophobicContact CB-CZ 4.1Å; H82-F126 AromaticContact CD2-CD1 3.93Å; H82-F126 AromaticContact CD2-CD2 3.62Å; H82-F126 AromaticContact CD2-CG 3.41Å; H82-F126 VanDerWaalsContact CD2-CG 3.41Å; H82-F126 WeakPolarHBondContact CD2-CG 3.37Å; H82-F126 AromaticContact CG-CD1 3.84Å; H82-F126 AromaticContact CG-CG 3.81Å; L85-F126 HydrophobicContact CD1-CE2 3.72Å; L85-F126 HydrophobicContact CD1-CZ 4.24Å; I119-F126 HydrophobicContact CG2-CD2 4.14Å; T122-F126 PolarHBondContact O-N 3.17Å; T122-F126 VanDerWaalsContact O-N 3.12Å; F123-F126 HydrophobicContact CD2-CD1 4.17Å; F123-F126 HydrophobicContact CE2-CD1 4.15Å; F123-F126 WeakPolarHBondContact O-CB 3.13Å; F123-F126 PolarHBondContact O-N 2.86Å; F123-F126 VanDerWaalsContact O-N 3.11Å; F126-G128 PolarHBondContact O-N 3.29Å; F126-L129 WeakPolarHBondContact O-CB 3.26Å; F126-L129 PolarHBondContact O-N 3.25Å; F126-L129 VanDerWaalsContact O-N 3.15Å; F126-M130 HydrophobicContact CD1-CG 4.3Å; F126-M130 HydrophobicContact CD2-CE 4.32Å; F126-M130 HydrophobicContact CD2-CG 4.19Å; F126-M130 HydrophobicContact CE1-CG 3.79Å; F126-M130 HydrophobicContact CE2-CE 3.81Å; F126-M130 HydrophobicContact CE2-CG 3.66Å; F126-M130 HydrophobicContact CE2-SD 3.81Å; F126-M130 HydrophobicContact CG-CG 4.49Å; F126-M130 HydrophobicContact CZ-CE 4.45Å; F126-M130 HydrophobicContact CZ-CG 3.44Å; F126-M130 VanDerWaalsContact CZ-CG 3.44Å; F126-M130 HydrophobicContact CZ-SD 3.85Å; F126-M130 WeakPolarHBondContact O-CG 3.4Å; F126-M130 PolarHBondContact O-N 2.94Å
127	C	97.3	Very high	96.7	Very high	12 Å²	12	64.9 Å²	64.9	8%	0.081	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-48.4	175.4	-67.3	0	0	0	0	111.9	L56 F123 T124 R125 L129 M130 V131	L56-C127 HydrophobicContact CB-CB 3.85Å; L56-C127 HydrophobicContact CD2-CB 4.32Å; F123-C127 VanDerWaalsContact CE1-SG 3.57Å; F123-C127 WeakPolarHBondContact CZ-SG 3.43Å; F123-C127 PolarHBondContact O-N 3.15Å; F123-C127 PolarHBondContact O-SG 2.91Å; T124-C127 PolarHBondContact O-N 3.22Å; R125-C127 VanDerWaalsContact C-N 3.34Å; C127-L129 VanDerWaalsContact C-N 3.31Å; C127-L129 PolarHBondContact O-N 3.01Å; C127-M130 PolarHBondContact O-N 2.76Å; C127-V131 VanDerWaalsContact O-CG2 3.3Å; C127-V131 WeakPolarHBondContact O-CG2 3.49Å; C127-V131 PolarHBondContact O-N 2.86Å
128	G	96.8	Very high	96.7	Very high	43 Å²	43	65.6 Å²	65.6	44%	0.443	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-39.9	176.5	0	0	0	0	0	113.3	T124 R125 F126 V131 Q132	T124-G128 PolarHBondContact O-N 3.16Å; R125-G128 PolarHBondContact O-N 3.01Å; F126-G128 PolarHBondContact O-N 3.29Å; G128-V131 PolarHBondContact O-N 3.32Å; G128-Q132 WeakPolarHBondContact O-CB 3.36Å; G128-Q132 PolarHBondContact O-N 3.33Å
129	L	96.9	Very high	96.8	Very high	29 Å²	29	56.3 Å²	56.3	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-44.1	176	179.7	64	0	0	0	112.2	P120 R125 F126 C127 Q132 L133 V139 L149	P120-L129 HydrophobicContact CG-CD2 3.91Å; R125-L129 PolarHBondContact O-N 2.91Å; F126-L129 WeakPolarHBondContact O-CB 3.26Å; F126-L129 PolarHBondContact O-N 3.25Å; F126-L129 VanDerWaalsContact O-N 3.15Å; C127-L129 VanDerWaalsContact C-N 3.31Å; C127-L129 PolarHBondContact O-N 3.01Å; L129-Q132 PolarHBondContact O-N 2.67Å; L129-L133 WeakPolarHBondContact O-CB 3.36Å; L129-L133 PolarHBondContact O-N 2.64Å; L129-V139 HydrophobicContact CD1-CB 4.36Å; L129-V139 HydrophobicContact CD1-CG1 3.84Å; L129-V139 HydrophobicContact CD1-CG2 4.06Å; L129-L149 HydrophobicContact CD1-CD1 3.94Å; L129-L149 HydrophobicContact CD2-CD1 3.78Å; L129-L149 HydrophobicContact CG-CD1 3.75Å
130	M	97.8	Very high	96.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.4	-40.1	178.1	-67.4	-59.4	100.5	0	0	112	V45 L56 F126 C127 Q132 L133 L134 L149	V45-M130 HydrophobicContact CG1-CB 4.17Å; V45-M130 HydrophobicContact CG1-CG 4.26Å; V45-M130 HydrophobicContact CG1-SD 4.25Å; L56-M130 HydrophobicContact CD1-CB 3.79Å; L56-M130 HydrophobicContact CD2-CB 4.02Å; L56-M130 HydrophobicContact CD2-CG 4.31Å; F126-M130 HydrophobicContact CD1-CG 4.3Å; F126-M130 HydrophobicContact CD2-CE 4.32Å; F126-M130 HydrophobicContact CD2-CG 4.19Å; F126-M130 HydrophobicContact CE1-CG 3.79Å; F126-M130 HydrophobicContact CE2-CE 3.81Å; F126-M130 HydrophobicContact CE2-CG 3.66Å; F126-M130 HydrophobicContact CE2-SD 3.81Å; F126-M130 HydrophobicContact CG-CG 4.49Å; F126-M130 HydrophobicContact CZ-CE 4.45Å; F126-M130 HydrophobicContact CZ-CG 3.44Å; F126-M130 VanDerWaalsContact CZ-CG 3.44Å; F126-M130 HydrophobicContact CZ-SD 3.85Å; F126-M130 WeakPolarHBondContact O-CG 3.4Å; F126-M130 PolarHBondContact O-N 2.94Å; C127-M130 PolarHBondContact O-N 2.76Å; M130-Q132 VanDerWaalsContact C-N 3.33Å; M130-Q132 PolarHBondContact O-N 2.61Å; M130-L133 HydrophobicContact CE-CD2 4.3Å; M130-L133 WeakPolarHBondContact O-CB 3.23Å; M130-L133 PolarHBondContact O-N 3.34Å; M130-L133 HydrophobicContact SD-CD2 4.31Å; M130-L134 WeakPolarHBondContact O-CG 3.24Å; M130-L134 PolarHBondContact O-N 3.25Å; M130-L149 HydrophobicContact CE-CD1 3.69Å
131	V	97.3	Very high	96.3	Very high	19 Å²	19	61.6 Å²	61.6	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-47.2	172.6	172.2	0	0	0	0	110.3	T47 F54 L56 C127 G128 L133 L134 H135	T47-V131 HydrophobicContact CG2-CB 4.38Å; T47-V131 HydrophobicContact CG2-CG1 4.28Å; T47-V131 HydrophobicContact CG2-CG2 4.13Å; F54-V131 HydrophobicContact CB-CG1 4.02Å; L56-V131 HydrophobicContact CB-CG2 4.04Å; C127-V131 VanDerWaalsContact O-CG2 3.3Å; C127-V131 WeakPolarHBondContact O-CG2 3.49Å; C127-V131 PolarHBondContact O-N 2.86Å; G128-V131 PolarHBondContact O-N 3.32Å; V131-L133 VanDerWaalsContact C-N 3.33Å; V131-L133 PolarHBondContact O-N 3.39Å; V131-L134 PolarHBondContact O-N 3.3Å; V131-H135 PolarHBondContact O-CD2 3.32Å; V131-H135 PolarHBondContact O-N 3.49Å
132	Q	96.4	Very high	95.9	Very high	79 Å²	79	60.5 Å²	60.5	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-44.1	177.1	-179	-179	-27	0	0	111.8	G128 L129 M130 H135 K136 V139	G128-Q132 WeakPolarHBondContact O-CB 3.36Å; G128-Q132 PolarHBondContact O-N 3.33Å; L129-Q132 PolarHBondContact O-N 2.67Å; M130-Q132 VanDerWaalsContact C-N 3.33Å; M130-Q132 PolarHBondContact O-N 2.61Å; Q132-H135 PolarHBondContact O-N 2.85Å; Q132-K136 HydrophobicContact CG-CD 3.95Å; Q132-K136 HydrophobicContact CG-CG 4.46Å; Q132-K136 WeakPolarHBondContact O-CB 3.41Å; Q132-K136 PolarHBondContact O-N 3.19Å; Q132-V139 HydrophobicContact CG-CG2 4.19Å
133	L	97.5	Very high	95.4	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-49.5	177.5	172.2	63.1	0	0	0	111.7	I111 L129 M130 V131 H135 K136 L137 V139 L149 M151	I111-L133 HydrophobicContact CB-CD2 4.48Å; I111-L133 HydrophobicContact CD1-CD2 3.79Å; I111-L133 HydrophobicContact CG1-CD2 4.04Å; I111-L133 HydrophobicContact CG2-CD2 3.62Å; L129-L133 WeakPolarHBondContact O-CB 3.36Å; L129-L133 PolarHBondContact O-N 2.64Å; M130-L133 HydrophobicContact CE-CD2 4.3Å; M130-L133 WeakPolarHBondContact O-CB 3.23Å; M130-L133 PolarHBondContact O-N 3.34Å; M130-L133 HydrophobicContact SD-CD2 4.31Å; V131-L133 VanDerWaalsContact C-N 3.33Å; V131-L133 PolarHBondContact O-N 3.39Å; L133-H135 VanDerWaalsContact C-N 3.28Å; L133-H135 PolarHBondContact O-N 3.21Å; L133-K136 PolarHBondContact O-N 2.74Å; L133-L137 WeakPolarHBondContact O-CA 3.49Å; L133-L137 PolarHBondContact O-N 2.96Å; L133-V139 HydrophobicContact CB-CG2 3.91Å; L133-V139 HydrophobicContact CD1-CG2 4.37Å; L133-L149 HydrophobicContact CD1-CB 3.75Å; L133-L149 HydrophobicContact CD2-CB 4.01Å; L133-L149 HydrophobicContact CD2-CD1 4.37Å; L133-L149 HydrophobicContact CG-CB 4.39Å; L133-M151 HydrophobicContact CD1-CG 4.39Å
134	L	95.9	Very high	94.8	Very high	32 Å²	32	63.1 Å²	63.1	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-34	-178	-71.2	173.9	0	0	0	112.1	V45 T47 L56 M130 V131 M151	V45-L134 HydrophobicContact CG1-CD1 4.17Å; T47-L134 HydrophobicContact CG2-CB 4.06Å; T47-L134 HydrophobicContact CG2-CD1 3.7Å; L56-L134 HydrophobicContact CD1-CD1 4.29Å; M130-L134 WeakPolarHBondContact O-CG 3.24Å; M130-L134 PolarHBondContact O-N 3.25Å; V131-L134 PolarHBondContact O-N 3.3Å; L134-M151 HydrophobicContact CD2-SD 4.11Å
135	H	94.6	Very high	94.5	Very high	92 Å²	92	63 Å²	63	43%	0.426	35%	0.345	S	S	.	.	H	α-helix	trans	-78.4	-41.4	177.9	-80.2	-121.7	0	0	0	113.6	F54 V131 Q132 L133	F54-H135 AromaticContact CD1-CE1 3.61Å; F54-H135 AromaticContact CD1-NE2 3.57Å; F54-H135 AromaticContact CD2-CE1 3.43Å; F54-H135 VanDerWaalsContact CD2-CE1 3.43Å; F54-H135 WeakPolarHBondContact CD2-CE1 3.45Å; F54-H135 AromaticContact CE1-CE1 3.95Å; F54-H135 AromaticContact CE2-CE1 3.78Å; F54-H135 AromaticContact CG-CE1 3.31Å; F54-H135 WeakPolarHBondContact CG-CE1 3.39Å; F54-H135 AromaticContact CG-NE2 3.5Å; V131-H135 PolarHBondContact O-CD2 3.32Å; V131-H135 PolarHBondContact O-N 3.49Å; Q132-H135 PolarHBondContact O-N 2.85Å; L133-H135 VanDerWaalsContact C-N 3.28Å; L133-H135 PolarHBondContact O-N 3.21Å
136	K	95.8	Very high	94.2	Very high	141 Å²	141	58.9 Å²	58.9	61%	0.613	33%	0.333	S	S	*	.	H	α-helix	trans	-96.9	-3.9	-174.2	-63.5	-173.2	179.4	179.1	0	113.5	Q132 L133 S138	Q132-K136 HydrophobicContact CG-CD 3.95Å; Q132-K136 HydrophobicContact CG-CG 4.46Å; Q132-K136 WeakPolarHBondContact O-CB 3.41Å; Q132-K136 PolarHBondContact O-N 3.19Å; L133-K136 PolarHBondContact O-N 2.74Å; K136-S138 PolarHBondContact O-N 2.77Å
137	L	96.3	Very high	94	Very high	98 Å²	98	62.8 Å²	62.8	51%	0.513	35%	0.35	S	S	.	.	S	Bend	trans	60.6	-6	-174.1	-47	178.9	0	0	0	114.9	L133 M151	L133-L137 WeakPolarHBondContact O-CA 3.49Å; L133-L137 PolarHBondContact O-N 2.96Å; L137-M151 HydrophobicContact CB-CB 4.47Å; L137-M151 HydrophobicContact CD2-CE 3.4Å; L137-M151 VanDerWaalsContact CD2-CE 3.4Å; L137-M151 PolarHBondContact O-N 3.16Å
138	S	96.3	Very high	93.9	Very high	23 Å²	23	63.9 Å²	63.9	16%	0.161	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	153.8	174.3	58.5	0	0	0	0	111.7	K136 L149	K136-S138 PolarHBondContact O-N 2.77Å; S138-L149 CarbonylContact C-O 3.5Å; S138-L149 WeakPolarHBondContact CA-O 3.43Å; S138-L149 WeakPolarHBondContact CB-O 3.31Å
139	V	96.6	Very high	93.9	Very high	10 Å²	10	61.9 Å²	61.9	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.4	172	-177.4	0	0	0	0	108.3	L129 Q132 L133 K147 L148 L149	L129-V139 HydrophobicContact CD1-CB 4.36Å; L129-V139 HydrophobicContact CD1-CG1 3.84Å; L129-V139 HydrophobicContact CD1-CG2 4.06Å; Q132-V139 HydrophobicContact CG-CG2 4.19Å; L133-V139 HydrophobicContact CB-CG2 3.91Å; L133-V139 HydrophobicContact CD1-CG2 4.37Å; V139-K147 CarbonylContact O-C 3.59Å; V139-K147 WeakPolarHBondContact O-CA 3.16Å; V139-L148 PolarHBondContact O-N 3.44Å; V139-L149 HydrophobicContact CB-CB 4.22Å; V139-L149 HydrophobicContact CB-CD1 4.46Å; V139-L149 HydrophobicContact CG2-CB 4.42Å; V139-L149 HydrophobicContact CG2-CD1 4.39Å; V139-L149 PolarHBondContact N-O 3.39Å; V139-L149 PolarHBondContact O-N 2.83Å
140	R	93.9	Very high	93.9	Very high	134 Å²	134	64.3 Å²	64.3	51%	0.506	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	156.6	178.8	-64.8	-179	-170.1	-93.3	8.9	111	P145 Q146 K147	R140-P145 PolarHBondContact NH1-O 2.91Å; R140-Q146 CarbonylContact C-O 3.59Å; R140-Q146 WeakPolarHBondContact CA-O 3.23Å; R140-Q146 WeakPolarHBondContact CB-O 3.3Å; R140-K147 HydrophobicContact CG-CG 4.12Å
141	A	90.8	Very high	93.9	Very high	19 Å²	19	67 Å²	67	16%	0.157	36%	0.357	C	S	.	.			trans	-60.3	148.6	168.7	0	0	0	0	0	110.2	D143 G144 Q146 L148	A141-D143 VanDerWaalsContact C-N 3.26Å; A141-D143 VanDerWaalsContact CB-OD1 3.31Å; A141-D143 WeakPolarHBondContact CB-OD1 2.87Å; A141-G144 VanDerWaalsContact O-O 3.05Å; A141-Q146 PolarHBondContact N-O 2.88Å; A141-L148 HydrophobicContact CB-CD1 4.02Å; A141-L148 HydrophobicContact CB-CD2 4.41Å; A141-L148 HydrophobicContact CB-CG 4.14Å
142	A	87.1	Confident	94	Very high	116 Å²	116	67.1 Å²	67.1	96%	0.959	36%	0.357	S	S	*	.	S	Bend	trans	-71.6	-28.4	179.4	0	0	0	0	0	111.9
143	D	87.8	Confident	94	Very high	156 Å²	156	71.8 Å²	71.8	83%	0.834	38%	0.376	S	S	*	.	S	Bend	trans	-101.7	5.5	-174.1	60.8	-30.4	0	0	0	113.3	A141	A141-D143 VanDerWaalsContact C-N 3.26Å; A141-D143 VanDerWaalsContact CB-OD1 3.31Å; A141-D143 WeakPolarHBondContact CB-OD1 2.87Å
144	G	85.3	Confident	94	Very high	27 Å²	27	74.5 Å²	74.5	28%	0.278	39%	0.39	S	S	.	.	S	Bend	trans	-170.5	170.7	-178.8	0	0	0	0	0	116	A141 Q146	A141-G144 VanDerWaalsContact O-O 3.05Å; G144-Q146 PolarHBondContact O-N 2.8Å
145	P	88.9	Confident	94	Very high	107 Å²	107	75.9 Å²	75.9	70%	0.695	40%	0.401	S	S	*	.	S	Bend	trans	-74.8	-6.9	-178.2	31.7	-36.2	0	0	0	113.2	R140 K147	R140-P145 PolarHBondContact NH1-O 2.91Å; P145-K147 PolarHBondContact O-N 3.36Å
146	Q	90.8	Very high	94.1	Very high	98 Å²	98	71.9 Å²	71.9	46%	0.458	38%	0.383	S	S	.	.			trans	-64.1	134.7	-173.8	-61.1	-164.3	1.1	0	0	111.4	R140 A141 G144	R140-Q146 CarbonylContact C-O 3.59Å; R140-Q146 WeakPolarHBondContact CA-O 3.23Å; R140-Q146 WeakPolarHBondContact CB-O 3.3Å; A141-Q146 PolarHBondContact N-O 2.88Å; G144-Q146 PolarHBondContact O-N 2.8Å
147	K	93.8	Very high	94	Very high	82 Å²	82	66.9 Å²	66.9	36%	0.357	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.1	172.7	-65.9	-178	178.7	-176.1	0	108.2	N114 V139 R140 P145 K150	N114-K147 PolarHBondContact ND2-O 2.79Å; V139-K147 CarbonylContact O-C 3.59Å; V139-K147 WeakPolarHBondContact O-CA 3.16Å; R140-K147 HydrophobicContact CG-CG 4.12Å; P145-K147 PolarHBondContact O-N 3.36Å; K147-K150 HydrophobicContact CD-CD 4.22Å; K147-K150 HydrophobicContact CD-CG 4.39Å
148	L	95.1	Very high	93.9	Very high	35 Å²	35	67.9 Å²	67.9	18%	0.183	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-43.2	178.1	-66.2	-179.8	0	0	0	110.9	N114 Q116 T117 V139 A141	N114-L148 WeakPolarHBondContact CB-O 3.27Å; N114-L148 PolarHBondContact N-O 3.31Å; Q116-L148 HydrophobicContact CB-CD2 4.5Å; T117-L148 HydrophobicContact CG2-CB 4.25Å; T117-L148 WeakPolarHBondContact OG1-CB 3.21Å; T117-L148 PolarHBondContact OG1-O 2.86Å; V139-L148 PolarHBondContact O-N 3.44Å; A141-L148 HydrophobicContact CB-CD1 4.02Å; A141-L148 HydrophobicContact CB-CD2 4.41Å; A141-L148 HydrophobicContact CB-CG 4.14Å
149	L	97.3	Very high	93.8	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140	174.9	-63.3	163.4	0	0	0	108.5	I113 T117 L129 M130 L133 S138 V139	I113-L149 HydrophobicContact CB-CD2 4.13Å; I113-L149 HydrophobicContact CD1-CD2 4.3Å; I113-L149 HydrophobicContact CG1-CD2 3.72Å; I113-L149 HydrophobicContact CG2-CD2 3.91Å; T117-L149 HydrophobicContact CG2-CD2 4.31Å; T117-L149 HydrophobicContact CG2-CG 4.24Å; L129-L149 HydrophobicContact CD1-CD1 3.94Å; L129-L149 HydrophobicContact CD2-CD1 3.78Å; L129-L149 HydrophobicContact CG-CD1 3.75Å; M130-L149 HydrophobicContact CE-CD1 3.69Å; L133-L149 HydrophobicContact CD1-CB 3.75Å; L133-L149 HydrophobicContact CD2-CB 4.01Å; L133-L149 HydrophobicContact CD2-CD1 4.37Å; L133-L149 HydrophobicContact CG-CB 4.39Å; S138-L149 CarbonylContact C-O 3.5Å; S138-L149 WeakPolarHBondContact CA-O 3.43Å; S138-L149 WeakPolarHBondContact CB-O 3.31Å; V139-L149 HydrophobicContact CB-CB 4.22Å; V139-L149 HydrophobicContact CB-CD1 4.46Å; V139-L149 HydrophobicContact CG2-CB 4.42Å; V139-L149 HydrophobicContact CG2-CD1 4.39Å; V139-L149 PolarHBondContact N-O 3.39Å; V139-L149 PolarHBondContact O-N 2.83Å
150	K	97.6	Very high	93.7	Very high	80 Å²	80	70.1 Å²	70.1	35%	0.348	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	133.9	-178.7	-177.3	-169.1	164.5	-157	0	110.8	I111 E112 K147 I152	I111-K150 WeakPolarHBondContact CA-O 3.41Å; E112-K150 PolarHBondContact N-O 3.14Å; E112-K150 PolarHBondContact O-N 3.11Å; E112-K150 VanDerWaalsContact O-N 3.07Å; K147-K150 HydrophobicContact CD-CD 4.22Å; K147-K150 HydrophobicContact CD-CG 4.39Å; K150-I152 HydrophobicContact CD-CG2 4.03Å; K150-I152 HydrophobicContact CG-CG2 4.22Å
151	M	97.6	Very high	93.6	Very high	56 Å²	56	64.6 Å²	64.6	28%	0.276	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.7	165.4	-65	-124.2	-66.6	0	0	110	A109 L110 I111 L133 L134 L137	A109-M151 HydrophobicContact CB-SD 3.98Å; L110-M151 CarbonylContact O-C 3.53Å; L110-M151 WeakPolarHBondContact O-CA 3.36Å; I111-M151 HydrophobicContact CG1-CG 4.33Å; I111-M151 HydrophobicContact CG1-SD 4.34Å; L133-M151 HydrophobicContact CD1-CG 4.39Å; L134-M151 HydrophobicContact CD2-SD 4.11Å; L137-M151 HydrophobicContact CB-CB 4.47Å; L137-M151 HydrophobicContact CD2-CE 3.4Å; L137-M151 VanDerWaalsContact CD2-CE 3.4Å; L137-M151 PolarHBondContact O-N 3.16Å
152	I	97.8	Very high	93.5	Very high	22 Å²	22	68.3 Å²	68.3	11%	0.113	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	168.1	-179.9	57.8	163.5	0	0	0	110.2	Y102 L110 E112 K150	Y102-I152 HydrophobicContact CD1-CD1 3.89Å; Y102-I152 HydrophobicContact CE1-CD1 3.61Å; L110-I152 HydrophobicContact CB-CG1 4.08Å; L110-I152 HydrophobicContact CD2-CD1 3.56Å; L110-I152 HydrophobicContact CD2-CG1 3.72Å; L110-I152 HydrophobicContact CG-CD1 3.79Å; L110-I152 HydrophobicContact CG-CG1 3.62Å; L110-I152 PolarHBondContact O-N 3.18Å; E112-I152 HydrophobicContact CB-CD1 4.05Å; E112-I152 HydrophobicContact CB-CG1 4.3Å; E112-I152 HydrophobicContact CB-CG2 4.01Å; K150-I152 HydrophobicContact CD-CG2 4.03Å; K150-I152 HydrophobicContact CG-CG2 4.22Å
153	K	97.8	Very high	93.4	Very high	177 Å²	177	66.4 Å²	66.4	77%	0.77	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-81.5	142.1	-178.2	-67.9	-174.9	176.3	-176.2	0	110.4	H159	K153-H159 PolarHBondContact O-NE2 3.11Å
154	N	96.9	Very high	93.5	Very high	57 Å²	57	59 Å²	59	31%	0.305	34%	0.336	S	S	.	.	S	Bend	trans	-70.9	161.1	165.8	-73	-50.3	0	0	0	111.9	N108 L110	N108-N154 PolarHBondContact O-ND2 2.92Å; N108-N154 PolarHBondContact OD1-ND2 3.16Å; N108-N154 VanDerWaalsContact OD1-ND2 3.08Å; L110-N154 WeakPolarHBondContact CB-OD1 3.5Å
155	P	96.6	Very high	94	Very high	62 Å²	62	59.6 Å²	59.6	40%	0.403	33%	0.334	S	S	.	.	P	Polyproline II helix	cis	-78.4	163.1	-5.2	33.5	-37.6	0	0	0	113.5	S157 D158 H159	P155-S157 WeakPolarHBondContact CB-OG 3.39Å; P155-S157 WeakPolarHBondContact CG-OG 3.48Å; P155-S157 PolarHBondContact O-N 3.43Å; P155-D158 WeakPolarHBondContact CD-OD2 3.45Å; P155-D158 PolarHBondContact O-N 3.38Å; P155-H159 PolarHBondContact O-CD2 3.03Å; P155-H159 VanDerWaalsContact O-CD2 3.28Å
156	V	96.2	Very high	94.3	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.042	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-63.9	-29.2	176.8	68.6	0	0	0	0	112.5	I39 Y102 L110 D158 H159 Y204	I39-V156 HydrophobicContact CG1-CG2 3.95Å; I39-V156 HydrophobicContact CG2-CG2 4.48Å; Y102-V156 HydrophobicContact CD2-CG2 4.34Å; Y102-V156 HydrophobicContact CG-CG2 4.28Å; L110-V156 HydrophobicContact CD1-CB 4.01Å; L110-V156 HydrophobicContact CD1-CG2 3.96Å; L110-V156 HydrophobicContact CD2-CB 3.92Å; L110-V156 HydrophobicContact CD2-CG2 4.21Å; V156-D158 PolarHBondContact O-N 2.89Å; V156-H159 PolarHBondContact O-N 3.46Å; V156-Y204 HydrophobicContact CG1-CD1 4.24Å; V156-Y204 HydrophobicContact CG1-CD2 4.45Å; V156-Y204 HydrophobicContact CG1-CE1 3.72Å; V156-Y204 HydrophobicContact CG1-CE2 3.94Å
157	S	94	Very high	94.7	Very high	37 Å²	37	53 Å²	53	26%	0.259	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-57.3	-30.8	178.2	47	0	0	0	0	113.7	P155 H159 L160	P155-S157 WeakPolarHBondContact CB-OG 3.39Å; P155-S157 WeakPolarHBondContact CG-OG 3.48Å; P155-S157 PolarHBondContact O-N 3.43Å; S157-H159 PolarHBondContact O-N 3.19Å; S157-L160 PolarHBondContact O-N 3.15Å
158	D	94.6	Very high	94.8	Very high	119 Å²	119	49.1 Å²	49.1	64%	0.636	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-67.5	-17.7	178	-72.8	2.8	0	0	0	113	P155 V156	P155-D158 WeakPolarHBondContact CD-OD2 3.45Å; P155-D158 PolarHBondContact O-N 3.38Å; V156-D158 PolarHBondContact O-N 2.89Å
159	H	94.6	Very high	95	Very high	65 Å²	65	48.2 Å²	48.2	30%	0.301	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-105	3.7	-178.4	-49.7	-83.7	0	0	0	112.8	Y102 K153 P155 V156 S157	Y102-H159 HydrophobicContact CE1-CB 4.4Å; K153-H159 PolarHBondContact O-NE2 3.11Å; P155-H159 PolarHBondContact O-CD2 3.03Å; P155-H159 VanDerWaalsContact O-CD2 3.28Å; V156-H159 PolarHBondContact O-N 3.46Å; S157-H159 PolarHBondContact O-N 3.19Å
160	L	93.9	Very high	94.9	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.079	28%	0.278	C	S	.	.	S	Bend	trans	-91.4	147.1	177.7	-55.7	-176.6	0	0	0	110.8	I37 I39 S157 R166 A189	I37-L160 HydrophobicContact CD1-CD2 4.06Å; I37-L160 HydrophobicContact CG2-CD2 3.77Å; I39-L160 HydrophobicContact CD1-CD2 4.45Å; S157-L160 PolarHBondContact O-N 3.15Å; L160-R166 HydrophobicContact CD1-CG 4.11Å; L160-A189 HydrophobicContact CD1-CB 4.03Å; L160-A189 HydrophobicContact CD2-CB 4.33Å
161	P	91.4	Very high	94.8	Very high	17 Å²	17	50.6 Å²	50.6	11%	0.11	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-59.5	147.7	172.6	-22	32.2	0	0	0	112	I37 G163 C164 P187	I37-P161 HydrophobicContact CD1-CG 3.85Å; P161-G163 PolarHBondContact O-N 3.14Å; P161-C164 HydrophobicContact CB-CB 4.2Å; P161-C164 WeakPolarHBondContact O-CB 3.47Å; P161-C164 PolarHBondContact O-N 3.34Å; P161-P187 HydrophobicContact CB-CG 4.2Å; P161-P187 HydrophobicContact CG-CB 4.25Å; P161-P187 HydrophobicContact CG-CG 4.48Å
162	P	87.8	Confident	94.5	Very high	97 Å²	97	52.9 Å²	52.9	63%	0.63	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	136.9	173.7	-22.1	32.9	0	0	0	111.8	M31 C164	M31-P162 HydrophobicContact SD-CG 4.26Å; P162-C164 PolarHBondContact O-N 3.38Å
163	G	85.1	Confident	94.2	Very high	77 Å²	77	53.8 Å²	53.8	79%	0.794	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	9.5	179	0	0	0	0	0	115.1	P161 P165	P161-G163 PolarHBondContact O-N 3.14Å; G163-P165 VanDerWaalsContact O-CD 3.3Å; G163-P165 WeakPolarHBondContact O-CD 3.42Å
164	C	91	Very high	93.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	31%	0.305	C	S	.	.			trans	-69	116.6	175	-176.6	0	0	0	0	110.2	P161 P162 P187 A188 A189	P161-C164 HydrophobicContact CB-CB 4.2Å; P161-C164 WeakPolarHBondContact O-CB 3.47Å; P161-C164 PolarHBondContact O-N 3.34Å; P162-C164 PolarHBondContact O-N 3.38Å; C164-P187 HydrophobicContact CB-CG 4.28Å; C164-A188 VanDerWaalsContact SG-CA 3.54Å; C164-A189 PolarHBondContact SG-N 2.97Å
165	P	95	Very high	93.7	Very high	38 Å²	38	53.6 Å²	53.6	25%	0.247	33%	0.33	C	S	.	.			trans	-61	140.2	177.2	-22.4	35	0	0	0	111.5	G163 P187 A189 E206	G163-P165 VanDerWaalsContact O-CD 3.3Å; G163-P165 WeakPolarHBondContact O-CD 3.42Å; P165-P187 WeakPolarHBondContact CD-O 3.26Å; P165-A189 PolarHBondContact O-N 3.32Å; P165-E206 WeakPolarHBondContact CA-OE2 3.5Å
166	R	96.4	Very high	93.7	Very high	63 Å²	63	51.9 Å²	51.9	24%	0.238	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108.3	-174.6	-62.4	159.5	-162.5	159.3	-0.5	110.4	L160 A189 Y204 E206	L160-R166 HydrophobicContact CD1-CG 4.11Å; R166-A189 CarbonylContact C-O 3.49Å; R166-A189 WeakPolarHBondContact CA-O 3.38Å; R166-A189 HydrophobicContact CG-CB 4.07Å; R166-Y204 VanDerWaalsContact CB-O 3.23Å; R166-Y204 WeakPolarHBondContact CB-O 3.49Å; R166-Y204 WeakPolarHBondContact CD-O 3.18Å; R166-E206 HydrophobicContact CB-CG 4.45Å; R166-E206 PolarHBondContact N-OE2 3.01Å; R166-E206 VanDerWaalsContact N-OE2 3.16Å; R166-E206 PolarHBondContact O-N 3.21Å
167	I	97.4	Very high	93.8	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.5	-169.3	-48	179.1	0	0	0	109.2	M169 V182 A189 V190 V191 Q207 V209	I167-M169 HydrophobicContact CB-CE 4.42Å; I167-M169 HydrophobicContact CG2-CE 3.42Å; I167-M169 VanDerWaalsContact CG2-CE 3.42Å; I167-V182 HydrophobicContact CD1-CB 4.36Å; I167-A189 PolarHBondContact N-O 3.11Å; I167-V190 CarbonylContact O-C 3.54Å; I167-V190 WeakPolarHBondContact O-CA 3.49Å; I167-V191 PolarHBondContact O-N 2.89Å; I167-Q207 WeakPolarHBondContact CA-O 3.39Å; I167-Q207 HydrophobicContact CB-CG 4.49Å; I167-Q207 HydrophobicContact CG1-CG 4.26Å; I167-Q207 HydrophobicContact CG2-CG 4.15Å; I167-V209 HydrophobicContact CG2-CB 4.25Å; I167-V209 HydrophobicContact CG2-CG2 3.83Å
168	G	97.8	Very high	93.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.5	171.4	0	0	0	0	0	111.6	Q207 T208 V209	G168-Q207 PolarHBondContact N-O 2.7Å; G168-T208 CarbonylContact O-C 3.58Å; G168-T208 VanDerWaalsContact O-CA 3.22Å; G168-T208 WeakPolarHBondContact O-CA 3.5Å; G168-T208 WeakPolarHBondContact O-CG2 3.25Å; G168-V209 PolarHBondContact O-N 3.39Å
169	M	97.4	Very high	94	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.079	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.3	171.1	-63	-66.5	87.5	0	0	110.3	I167 V190 V191 I192 V209 I211 T221 I225	I167-M169 HydrophobicContact CB-CE 4.42Å; I167-M169 HydrophobicContact CG2-CE 3.42Å; I167-M169 VanDerWaalsContact CG2-CE 3.42Å; M169-V190 HydrophobicContact CE-CG1 4.38Å; M169-V190 HydrophobicContact CG-CG1 3.63Å; M169-V190 HydrophobicContact SD-CG1 4.14Å; M169-V191 WeakPolarHBondContact CB-O 3.32Å; M169-V191 PolarHBondContact N-O 3.47Å; M169-I192 HydrophobicContact CB-CG1 4.4Å; M169-I192 HydrophobicContact CG-CG1 3.95Å; M169-V209 HydrophobicContact CE-CB 3.77Å; M169-I211 HydrophobicContact SD-CG2 4.18Å; M169-T221 HydrophobicContact CB-CG2 4.21Å; M169-T221 HydrophobicContact CG-CG2 4.05Å; M169-I225 HydrophobicContact SD-CD1 3.88Å; M169-I225 HydrophobicContact SD-CG1 4.33Å
170	S	96.3	Very high	94.1	Very high	26 Å²	26	55.1 Å²	55.1	18%	0.182	33%	0.332	C	S	.	.			trans	-148.9	134.8	173.6	-177.3	0	0	0	0	111.1	S172 A173 V209 S210	S170-S172 PolarHBondContact O-N 3.24Å; S170-S172 PolarHBondContact OG-N 3.15Å; S170-A173 VanDerWaalsContact O-CB 3.31Å; S170-A173 WeakPolarHBondContact O-CB 3.48Å; S170-A173 PolarHBondContact O-N 2.79Å; S170-V209 PolarHBondContact N-O 3.2Å; S170-S210 VanDerWaalsContact O-CA 3.32Å; S170-S210 WeakPolarHBondContact O-CA 3.48Å; S170-S210 VanDerWaalsContact O-CB 3.31Å; S170-S210 WeakPolarHBondContact O-CB 3.42Å
171	F	94.3	Very high	94.2	Very high	106 Å²	106	59.5 Å²	59.5	47%	0.465	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-60.4	-33.9	171.2	170.3	-109.2	0	0	0	111.8	A173 P215	F171-A173 VanDerWaalsContact C-N 3.27Å; F171-A173 PolarHBondContact O-N 3.31Å; F171-P215 HydrophobicContact CD1-CG 4.29Å; F171-P215 HydrophobicContact CD2-CG 4.23Å; F171-P215 HydrophobicContact CE1-CG 4.08Å; F171-P215 HydrophobicContact CE2-CG 4.03Å; F171-P215 HydrophobicContact CG-CG 4.36Å; F171-P215 HydrophobicContact CZ-CG 3.95Å
172	S	92.7	Very high	94.3	Very high	104 Å²	104	59.3 Å²	59.3	73%	0.727	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-86.4	12.1	-176.9	-54.1	0	0	0	0	114	S170 G174	S170-S172 PolarHBondContact O-N 3.24Å; S170-S172 PolarHBondContact OG-N 3.15Å; S172-G174 PolarHBondContact O-N 3.4Å
173	A	90.4	Very high	94.6	Very high	42 Å²	42	55.6 Å²	55.6	35%	0.347	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-75.1	-3.6	-176.5	0	0	0	0	0	114.9	S170 F171 T208	S170-A173 VanDerWaalsContact O-CB 3.31Å; S170-A173 WeakPolarHBondContact O-CB 3.48Å; S170-A173 PolarHBondContact O-N 2.79Å; F171-A173 VanDerWaalsContact C-N 3.27Å; F171-A173 PolarHBondContact O-N 3.31Å; A173-T208 HydrophobicContact CB-CG2 3.83Å
174	G	91.1	Very high	95	Very high	52 Å²	52	53.6 Å²	53.6	54%	0.536	31%	0.307	S	S	.	.	S	Bend	trans	116.6	-149.5	-176.9	0	0	0	0	0	112.2	S172	S172-G174 PolarHBondContact O-N 3.4Å
175	E	94.3	Very high	94.9	Very high	178 Å²	178	61.5 Å²	61.5	83%	0.832	34%	0.343	S	S	*	.	S	Bend	trans	-63.4	136.9	179.2	-169.5	175.7	179.4	0	0	111
176	A	96.4	Very high	94.7	Very high	25 Å²	25	60.8 Å²	60.8	21%	0.207	34%	0.343	C	S	.	.			trans	-69.9	132.9	179.6	0	0	0	0	0	111.3	S210 N213	A176-S210 CarbonylContact C-O 3.56Å; A176-S210 WeakPolarHBondContact CA-O 3.36Å; A176-N213 WeakPolarHBondContact CB-OD1 3.47Å
177	V	96.9	Very high	94.6	Very high	58 Å²	58	58.6 Å²	58.6	35%	0.352	34%	0.337	S	S	.	.			trans	-104.4	163	175	-51.7	0	0	0	0	111.3	A179 V182 V209 S210	V177-A179 PolarHBondContact O-N 3.16Å; V177-V182 HydrophobicContact CG2-CG1 3.85Å; V177-V209 HydrophobicContact CG2-CG1 3.27Å; V177-S210 PolarHBondContact N-O 3Å
178	N	96.8	Very high	94.6	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	34%	0.336	S	S	.	.			trans	-70.7	127.1	171	-174.4	-42.3	0	0	0	109.7	R180 T181	N178-R180 PolarHBondContact O-N 3.29Å; N178-R180 WeakPolarHBondContact OD1-CB 3.32Å; N178-R180 WeakPolarHBondContact OD1-CG 3.12Å; N178-R180 PolarHBondContact OD1-N 2.81Å; N178-T181 HydrophobicContact CB-CG2 4.19Å; N178-T181 PolarHBondContact O-N 2.81Å; N178-T181 PolarHBondContact O-OG1 3.19Å
179	A	96.6	Very high	94.6	Very high	15 Å²	15	58.4 Å²	58.4	12%	0.124	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-56.7	-24.6	-179.1	0	0	0	0	0	113.9	V177 T181 V182 I211 A228	V177-A179 PolarHBondContact O-N 3.16Å; A179-T181 VanDerWaalsContact C-N 3.27Å; A179-T181 PolarHBondContact O-N 2.83Å; A179-V182 WeakPolarHBondContact O-CG2 3.2Å; A179-V182 PolarHBondContact O-N 3.41Å; A179-I211 HydrophobicContact CB-CB 4.44Å; A179-I211 HydrophobicContact CB-CG2 4.19Å; A179-A228 HydrophobicContact CB-CB 3.61Å
180	R	96.9	Very high	94.6	Very high	125 Å²	125	57.6 Å²	57.6	47%	0.472	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-67.2	-27.6	175.6	-64.2	173.2	66.4	151.3	-6.9	113.1	N178 V182 V183 A228 E231 V232	N178-R180 PolarHBondContact O-N 3.29Å; N178-R180 WeakPolarHBondContact OD1-CB 3.32Å; N178-R180 WeakPolarHBondContact OD1-CG 3.12Å; N178-R180 PolarHBondContact OD1-N 2.81Å; R180-V182 PolarHBondContact O-N 3.32Å; R180-V183 PolarHBondContact O-N 2.86Å; R180-A228 HydrophobicContact CG-CB 4.3Å; R180-E231 VanDerWaalsContact CD-OE2 3.26Å; R180-E231 WeakPolarHBondContact CD-OE2 3.45Å; R180-E231 IonicContact CZ-OE2 3.41Å; R180-E231 IonicContact NE-OE2 3.55Å; R180-E231 IonicContact NH1-OE2 2.77Å; R180-E231 PolarHBondContact NH1-OE2 3.28Å; R180-V232 HydrophobicContact CB-CG2 3.97Å; R180-V232 HydrophobicContact CG-CG2 4.21Å
181	T	95.6	Very high	94.7	Very high	106 Å²	106	56.4 Å²	56.4	65%	0.65	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-78.7	-10.9	-179.1	67.6	0	0	0	0	112.4	N178 A179	N178-T181 HydrophobicContact CB-CG2 4.19Å; N178-T181 PolarHBondContact O-N 2.81Å; N178-T181 PolarHBondContact O-OG1 3.19Å; A179-T181 VanDerWaalsContact C-N 3.27Å; A179-T181 PolarHBondContact O-N 2.83Å
182	V	93.7	Very high	94.9	Very high	14 Å²	14	51.5 Å²	51.5	9%	0.085	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-89.5	-5.7	175.1	-53.2	0	0	0	0	113	I167 V177 A179 R180 P184 V209 I225	I167-V182 HydrophobicContact CD1-CB 4.36Å; V177-V182 HydrophobicContact CG2-CG1 3.85Å; A179-V182 WeakPolarHBondContact O-CG2 3.2Å; A179-V182 PolarHBondContact O-N 3.41Å; R180-V182 PolarHBondContact O-N 3.32Å; V182-P184 WeakPolarHBondContact O-CD 3.15Å; V182-V209 HydrophobicContact CG1-CB 4.49Å; V182-V209 HydrophobicContact CG1-CG1 3.83Å; V182-V209 HydrophobicContact CG1-CG2 4.44Å; V182-I225 HydrophobicContact CG2-CD1 4.22Å
183	V	95.7	Very high	95.2	Very high	18 Å²	18	47.3 Å²	47.3	11%	0.109	28%	0.275	C	S	.	.			trans	-85.3	114.4	-176.4	-173.6	0	0	0	0	109.8	R180 A228 F229 V232 W233	R180-V183 PolarHBondContact O-N 2.86Å; V183-A228 HydrophobicContact CG2-CB 4.25Å; V183-F229 HydrophobicContact CB-CE2 4.39Å; V183-F229 HydrophobicContact CB-CZ 4.38Å; V183-F229 HydrophobicContact CG1-CD1 3.7Å; V183-F229 HydrophobicContact CG1-CD2 4.35Å; V183-F229 HydrophobicContact CG1-CE1 3.76Å; V183-F229 HydrophobicContact CG1-CE2 4.41Å; V183-F229 HydrophobicContact CG1-CG 4.02Å; V183-F229 HydrophobicContact CG1-CZ 4.12Å; V183-F229 HydrophobicContact CG2-CD1 4.47Å; V183-F229 HydrophobicContact CG2-CD2 3.63Å; V183-F229 HydrophobicContact CG2-CE2 3.75Å; V183-F229 HydrophobicContact CG2-CG 4.03Å; V183-F229 HydrophobicContact CG2-CZ 4.22Å; V183-V232 HydrophobicContact CB-CB 4.1Å; V183-V232 HydrophobicContact CB-CG1 4Å; V183-V232 HydrophobicContact CB-CG2 4.1Å; V183-V232 HydrophobicContact CG1-CB 3.86Å; V183-V232 HydrophobicContact CG1-CG1 3.68Å; V183-V232 HydrophobicContact CG1-CG2 4.42Å; V183-V232 HydrophobicContact CG2-CB 4.32Å; V183-V232 HydrophobicContact CG2-CG2 4.05Å; V183-W233 HydrophobicContact CG1-CZ2 4.35Å
184	P	92.9	Very high	95.5	Very high	36 Å²	36	45.3 Å²	45.3	23%	0.234	26%	0.259	C	S	.	.			trans	-79.3	169.3	175.5	34.1	-34.7	0	0	0	111.7	V182 G186 A188 W233	V182-P184 WeakPolarHBondContact O-CD 3.15Å; P184-G186 PolarHBondContact O-N 2.83Å; P184-A188 HydrophobicContact CG-CB 3.61Å; P184-W233 PolarHBondContact O-NE1 3.29Å
185	E	88.4	Confident	95.7	Very high	166 Å²	166	44.8 Å²	44.8	78%	0.776	24%	0.242	S	C	*	.	S	Bend	trans	-70.1	-19.3	172.1	-65	-169.2	166.4	0	0	113.5	R34	R34-E185 WeakPolarHBondContact CD-O 3.4Å; R34-E185 WeakPolarHBondContact CG-O 3.18Å; R34-E185 PolarHBondContact NE-O 2.74Å
186	G	91.6	Very high	95.7	Very high	24 Å²	24	37.5 Å²	37.5	25%	0.247	21%	0.212	C	C	.	.	S	Bend	trans	-110.2	-159	-177	0	0	0	0	0	113.5	P184 W233	P184-G186 PolarHBondContact O-N 2.83Å; G186-W233 WeakPolarHBondContact O-CZ2 3.47Å
187	P	94.3	Very high	95.4	Very high	16 Å²	16	42.4 Å²	42.4	10%	0.104	23%	0.23	C	C	.	.			trans	-65.3	154.5	171.9	30.1	-35.3	0	0	0	111.1	R35 P161 C164 P165	R35-P187 CarbonylContact O-C 3.52Å; R35-P187 VanDerWaalsContact O-CA 3.27Å; R35-P187 WeakPolarHBondContact O-CA 3.31Å; P161-P187 HydrophobicContact CB-CG 4.2Å; P161-P187 HydrophobicContact CG-CB 4.25Å; P161-P187 HydrophobicContact CG-CG 4.48Å; C164-P187 HydrophobicContact CB-CG 4.28Å; P165-P187 WeakPolarHBondContact CD-O 3.26Å
188	A	96.1	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.5	176.1	0	0	0	0	0	110.9	R35 I37 C164 P184 F229	R35-A188 PolarHBondContact O-N 2.86Å; I37-A188 PolarHBondContact N-O 2.87Å; C164-A188 VanDerWaalsContact SG-CA 3.54Å; P184-A188 HydrophobicContact CG-CB 3.61Å; A188-F229 HydrophobicContact CB-CE1 3.74Å; A188-F229 HydrophobicContact CB-CZ 3.63Å
189	A	97.6	Very high	94.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.4	170.4	0	0	0	0	0	109.5	I37 I39 L160 C164 P165 R166 I167	I37-A189 HydrophobicContact CB-CB 4.4Å; I37-A189 CarbonylContact O-C 3.58Å; I37-A189 VanDerWaalsContact O-CA 3.31Å; I37-A189 WeakPolarHBondContact O-CA 3.37Å; I39-A189 HydrophobicContact CD1-CB 3.97Å; L160-A189 HydrophobicContact CD1-CB 4.03Å; L160-A189 HydrophobicContact CD2-CB 4.33Å; C164-A189 PolarHBondContact SG-N 2.97Å; P165-A189 PolarHBondContact O-N 3.32Å; R166-A189 CarbonylContact C-O 3.49Å; R166-A189 WeakPolarHBondContact CA-O 3.38Å; R166-A189 HydrophobicContact CG-CB 4.07Å; I167-A189 PolarHBondContact N-O 3.11Å
190	V	98.4	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123	178.1	-177.8	0	0	0	0	109.1	L36 I37 V38 I39 I167 M169 I192 I225 F229	L36-V190 HydrophobicContact CD1-CB 4.21Å; L36-V190 HydrophobicContact CD1-CG2 3.66Å; I37-V190 PolarHBondContact O-N 2.9Å; V38-V190 WeakPolarHBondContact CA-O 3.42Å; I39-V190 PolarHBondContact N-O 3.48Å; I167-V190 CarbonylContact O-C 3.54Å; I167-V190 WeakPolarHBondContact O-CA 3.49Å; M169-V190 HydrophobicContact CE-CG1 4.38Å; M169-V190 HydrophobicContact CG-CG1 3.63Å; M169-V190 HydrophobicContact SD-CG1 4.14Å; V190-I192 HydrophobicContact CG1-CD1 4.32Å; V190-I192 HydrophobicContact CG1-CG1 4.02Å; V190-I225 HydrophobicContact CG1-CG1 4.46Å; V190-I225 HydrophobicContact CG1-CG2 4.39Å; V190-I225 HydrophobicContact CG2-CG2 4.26Å; V190-F229 HydrophobicContact CG2-CE2 4.41Å; V190-F229 HydrophobicContact CG2-CZ 4.43Å
191	V	98.6	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.6	-179.8	-169.1	0	0	0	0	109.3	I39 E41 I167 M169 V200 V202 Y204 T205	I39-V191 HydrophobicContact CB-CG2 4.47Å; I39-V191 HydrophobicContact CD1-CG2 4.26Å; I39-V191 WeakPolarHBondContact O-CA 3.35Å; E41-V191 HydrophobicContact CB-CG1 3.64Å; E41-V191 HydrophobicContact CG-CG1 4.17Å; I167-V191 PolarHBondContact O-N 2.89Å; M169-V191 WeakPolarHBondContact CB-O 3.32Å; M169-V191 PolarHBondContact N-O 3.47Å; V191-V200 HydrophobicContact CB-CG1 4.22Å; V191-V200 HydrophobicContact CG1-CG1 3.58Å; V191-V202 HydrophobicContact CG1-CG2 4.43Å; V191-Y204 HydrophobicContact CG2-CD2 4.44Å; V191-Y204 HydrophobicContact CG2-CE2 3.47Å; V191-Y204 VanDerWaalsContact CG2-CE2 3.47Å; V191-T205 HydrophobicContact CB-CG2 4.15Å; V191-T205 HydrophobicContact CG2-CG2 3.59Å
192	I	98.6	Very high	94.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.9	-177.3	-56.6	176.1	0	0	0	108.3	V38 I39 L40 E41 M169 V190 A194 A218 T221 C222	V38-I192 HydrophobicContact CG1-CD1 3.92Å; V38-I192 HydrophobicContact CG1-CG1 4.43Å; I39-I192 PolarHBondContact O-N 3.47Å; L40-I192 CarbonylContact C-O 3.54Å; L40-I192 WeakPolarHBondContact CA-O 3.46Å; L40-I192 HydrophobicContact CD2-CB 4.29Å; E41-I192 PolarHBondContact N-O 2.96Å; M169-I192 HydrophobicContact CB-CG1 4.4Å; M169-I192 HydrophobicContact CG-CG1 3.95Å; V190-I192 HydrophobicContact CG1-CD1 4.32Å; V190-I192 HydrophobicContact CG1-CG1 4.02Å; I192-A194 PolarHBondContact O-N 3.07Å; I192-A218 HydrophobicContact CG2-CB 4.14Å; I192-T221 HydrophobicContact CD1-CG2 4.09Å; I192-T221 HydrophobicContact CG1-CG2 4.28Å; I192-T221 HydrophobicContact CG2-CG2 4.2Å; I192-C222 HydrophobicContact CD1-CB 4.45Å
193	G	98.1	Very high	94.3	Very high	15 Å²	15	46.4 Å²	46.4	16%	0.155	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125	176.6	0	0	0	0	0	112	F195 V200 A218	G193-F195 VanDerWaalsContact CA-CE1 3.41Å; G193-V200 VanDerWaalsContact N-CG2 3.35Å; G193-A218 WeakPolarHBondContact O-CB 3.37Å
194	A	97.8	Very high	94.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.276	C	S	.	.			trans	-110.2	34.9	-179.9	0	0	0	0	0	112.6	L40 E41 A43 I192	L40-A194 HydrophobicContact CB-CB 3.92Å; E41-A194 PolarHBondContact O-N 3.07Å; A43-A194 HydrophobicContact CB-CB 4.1Å; I192-A194 PolarHBondContact O-N 3.07Å
195	F	95.6	Very high	94.4	Very high	41 Å²	41	46.6 Å²	46.6	18%	0.18	27%	0.274	C	S	.	.	S	Bend	trans	-115.4	164.2	179	44.5	-103.3	0	0	0	111.3	E41 I80 G193 H197 G198 V200	E41-F195 WeakPolarHBondContact O-CD1 3.43Å; I80-F195 WeakPolarHBondContact CD1-O 3.27Å; G193-F195 VanDerWaalsContact CA-CE1 3.41Å; F195-H197 VanDerWaalsContact CD2-C 3.45Å; F195-H197 VanDerWaalsContact CD2-O 3.27Å; F195-H197 WeakPolarHBondContact CD2-O 3.33Å; F195-G198 WeakPolarHBondContact CE2-O 3.25Å; F195-V200 HydrophobicContact CE1-CG2 4.45Å; F195-V200 HydrophobicContact CZ-CG2 4.34Å
196	A	93.1	Very high	94.7	Very high	25 Å²	25	44.6 Å²	44.6	21%	0.207	27%	0.265	C	S	.	.	S	Bend	trans	-70.8	-43.7	179.7	0	0	0	0	0	113	G74 R77 I80	G74-A196 WeakPolarHBondContact O-CB 3.27Å; R77-A196 HydrophobicContact CB-CB 4.23Å; R77-A196 HydrophobicContact CG-CB 3.8Å; I80-A196 HydrophobicContact CD1-CB 4.25Å
197	H	90.3	Very high	94.8	Very high	128 Å²	128	48.1 Å²	48.1	59%	0.593	28%	0.275	S	S	*	.	S	Bend	trans	-143.2	144.4	-178.5	-59.9	-60.6	0	0	0	109.4	F195	F195-H197 VanDerWaalsContact CD2-C 3.45Å; F195-H197 VanDerWaalsContact CD2-O 3.27Å; F195-H197 WeakPolarHBondContact CD2-O 3.33Å
198	G	91.3	Very high	94.9	Very high	67 Å²	67	50.5 Å²	50.5	69%	0.691	29%	0.289	S	S	*	.			trans	138.2	-168.7	-179.8	0	0	0	0	0	112.3	F195	F195-G198 WeakPolarHBondContact CE2-O 3.25Å
199	S	91.8	Very high	94.9	Very high	79 Å²	79	51.3 Å²	51.3	55%	0.552	29%	0.294	S	S	*	.			trans	-136.6	148.9	173.4	54.6	0	0	0	0	109.4	N201	S199-N201 PolarHBondContact O-N 2.94Å
200	V	93.3	Very high	94.9	Very high	24 Å²	24	51.6 Å²	51.6	15%	0.145	30%	0.296	C	S	.	.			trans	-65.3	117.9	171.8	175.9	0	0	0	0	107.5	E41 V191 G193 F195 V202	E41-V200 HydrophobicContact CG-CG1 4.49Å; V191-V200 HydrophobicContact CB-CG1 4.22Å; V191-V200 HydrophobicContact CG1-CG1 3.58Å; G193-V200 VanDerWaalsContact N-CG2 3.35Å; F195-V200 HydrophobicContact CE1-CG2 4.45Å; F195-V200 HydrophobicContact CZ-CG2 4.34Å; V200-V202 HydrophobicContact CG1-CG1 4.44Å; V200-V202 HydrophobicContact CG1-CG2 4.04Å
201	N	90.3	Very high	94.8	Very high	149 Å²	149	52.7 Å²	52.7	80%	0.797	30%	0.302	S	S	*	.			trans	-133	88.7	177.7	-176.4	24.6	0	0	0	108.8	S199	S199-N201 PolarHBondContact O-N 2.94Å
202	V	94	Very high	94.8	Very high	23 Å²	23	53.8 Å²	53.8	14%	0.139	31%	0.309	C	S	.	.			trans	-129.5	148.2	-178.7	-63.1	0	0	0	0	109.6	E41 V191 V200 Y204 T205	E41-V202 HydrophobicContact CG-CG1 3.8Å; V191-V202 HydrophobicContact CG1-CG2 4.43Å; V200-V202 HydrophobicContact CG1-CG1 4.44Å; V200-V202 HydrophobicContact CG1-CG2 4.04Å; V202-Y204 VanDerWaalsContact C-N 3.33Å; V202-Y204 HydrophobicContact CB-CD1 3.76Å; V202-Y204 HydrophobicContact CB-CE1 3.42Å; V202-Y204 VanDerWaalsContact CB-CE1 3.42Å; V202-Y204 HydrophobicContact CG1-CD1 4.5Å; V202-Y204 HydrophobicContact CG1-CE1 3.71Å; V202-Y204 HydrophobicContact CG2-CD1 4.04Å; V202-Y204 HydrophobicContact CG2-CD2 4.39Å; V202-Y204 HydrophobicContact CG2-CE1 3.71Å; V202-Y204 HydrophobicContact CG2-CE2 4.1Å; V202-Y204 HydrophobicContact CG2-CG 4.36Å; V202-T205 HydrophobicContact CG2-CG2 3.5Å; V202-T205 PolarHBondContact O-OG1 3.36Å
203	D	93.4	Very high	94.7	Very high	159 Å²	159	59.2 Å²	59.2	85%	0.85	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-13	-175.5	61.2	-11	0	0	0	113.7
204	Y	93.7	Very high	94.6	Very high	26 Å²	26	66.9 Å²	66.9	10%	0.102	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6	-175.4	63.4	-95.5	0	0	0	114.2	E41 V156 R166 V191 V202	E41-Y204 PolarHBondContact OE2-OH 2.84Å; V156-Y204 HydrophobicContact CG1-CD1 4.24Å; V156-Y204 HydrophobicContact CG1-CD2 4.45Å; V156-Y204 HydrophobicContact CG1-CE1 3.72Å; V156-Y204 HydrophobicContact CG1-CE2 3.94Å; R166-Y204 VanDerWaalsContact CB-O 3.23Å; R166-Y204 WeakPolarHBondContact CB-O 3.49Å; R166-Y204 WeakPolarHBondContact CD-O 3.18Å; V191-Y204 HydrophobicContact CG2-CD2 4.44Å; V191-Y204 HydrophobicContact CG2-CE2 3.47Å; V191-Y204 VanDerWaalsContact CG2-CE2 3.47Å; V202-Y204 VanDerWaalsContact C-N 3.33Å; V202-Y204 HydrophobicContact CB-CD1 3.76Å; V202-Y204 HydrophobicContact CB-CE1 3.42Å; V202-Y204 VanDerWaalsContact CB-CE1 3.42Å; V202-Y204 HydrophobicContact CG1-CD1 4.5Å; V202-Y204 HydrophobicContact CG1-CE1 3.71Å; V202-Y204 HydrophobicContact CG2-CD1 4.04Å; V202-Y204 HydrophobicContact CG2-CD2 4.39Å; V202-Y204 HydrophobicContact CG2-CE1 3.71Å; V202-Y204 HydrophobicContact CG2-CE2 4.1Å; V202-Y204 HydrophobicContact CG2-CG 4.36Å
205	T	95.8	Very high	94.5	Very high	32 Å²	32	71.6 Å²	71.6	20%	0.196	39%	0.394	C	S	.	.			trans	-81	135	174.3	47.9	0	0	0	0	111.3	V191 V202	V191-T205 HydrophobicContact CB-CG2 4.15Å; V191-T205 HydrophobicContact CG2-CG2 3.59Å; V202-T205 HydrophobicContact CG2-CG2 3.5Å; V202-T205 PolarHBondContact O-OG1 3.36Å
206	E	94.9	Very high	94.6	Very high	125 Å²	125	71.9 Å²	71.9	58%	0.584	40%	0.398	S	S	*	.	S	Bend	trans	-88.9	-29	-179.2	-65.2	162.5	172.5	0	0	111.8	P165 R166	P165-E206 WeakPolarHBondContact CA-OE2 3.5Å; R166-E206 HydrophobicContact CB-CG 4.45Å; R166-E206 PolarHBondContact N-OE2 3.01Å; R166-E206 VanDerWaalsContact N-OE2 3.16Å; R166-E206 PolarHBondContact O-N 3.21Å
207	Q	93.6	Very high	94.8	Very high	98 Å²	98	73.9 Å²	73.9	46%	0.458	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157.7	177.2	60.1	175.9	-13.8	0	0	110.4	I167 G168 V209	I167-Q207 WeakPolarHBondContact CA-O 3.39Å; I167-Q207 HydrophobicContact CB-CG 4.49Å; I167-Q207 HydrophobicContact CG1-CG 4.26Å; I167-Q207 HydrophobicContact CG2-CG 4.15Å; G168-Q207 PolarHBondContact N-O 2.7Å; Q207-V209 HydrophobicContact CG-CG2 4.47Å
208	T	96.1	Very high	95.2	Very high	65 Å²	65	68.5 Å²	68.5	40%	0.399	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.3	173.8	-52.6	0	0	0	0	108.8	G168 A173	G168-T208 CarbonylContact O-C 3.58Å; G168-T208 VanDerWaalsContact O-CA 3.22Å; G168-T208 WeakPolarHBondContact O-CA 3.5Å; G168-T208 WeakPolarHBondContact O-CG2 3.25Å; A173-T208 HydrophobicContact CB-CG2 3.83Å
209	V	96.8	Very high	95.5	Very high	17 Å²	17	65.8 Å²	65.8	10%	0.103	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143	-174	-179.8	0	0	0	0	110.9	I167 G168 M169 S170 V177 V182 Q207 I211	I167-V209 HydrophobicContact CG2-CB 4.25Å; I167-V209 HydrophobicContact CG2-CG2 3.83Å; G168-V209 PolarHBondContact O-N 3.39Å; M169-V209 HydrophobicContact CE-CB 3.77Å; S170-V209 PolarHBondContact N-O 3.2Å; V177-V209 HydrophobicContact CG2-CG1 3.27Å; V182-V209 HydrophobicContact CG1-CB 4.49Å; V182-V209 HydrophobicContact CG1-CG1 3.83Å; V182-V209 HydrophobicContact CG1-CG2 4.44Å; Q207-V209 HydrophobicContact CG-CG2 4.47Å; V209-I211 HydrophobicContact CG1-CG2 4.36Å
210	S	97.3	Very high	95.8	Very high	6 Å²	6	65.8 Å²	65.8	4%	0.042	35%	0.352	C	S	.	.			trans	-101.4	131.9	167.4	-177.3	0	0	0	0	109	S170 A176 V177 S212	S170-S210 VanDerWaalsContact O-CA 3.32Å; S170-S210 WeakPolarHBondContact O-CA 3.48Å; S170-S210 VanDerWaalsContact O-CB 3.31Å; S170-S210 WeakPolarHBondContact O-CB 3.42Å; A176-S210 CarbonylContact C-O 3.56Å; A176-S210 WeakPolarHBondContact CA-O 3.36Å; V177-S210 PolarHBondContact N-O 3Å; S210-S212 PolarHBondContact OG-O 3.37Å
211	I	97.7	Very high	96.1	Very high	24 Å²	24	65.3 Å²	65.3	12%	0.123	35%	0.349	C	S	.	.			trans	-109.6	8.2	178.1	61	158.5	0	0	0	112.8	M169 A179 V209 L216 T221 K224 I225	M169-I211 HydrophobicContact SD-CG2 4.18Å; A179-I211 HydrophobicContact CB-CB 4.44Å; A179-I211 HydrophobicContact CB-CG2 4.19Å; V209-I211 HydrophobicContact CG1-CG2 4.36Å; I211-L216 HydrophobicContact CD1-CD1 4.15Å; I211-L216 HydrophobicContact CG1-CD1 4.14Å; I211-T221 HydrophobicContact CD1-CG2 4.18Å; I211-K224 HydrophobicContact CD1-CB 3.87Å; I211-K224 HydrophobicContact CD1-CD 4.15Å; I211-I225 HydrophobicContact CD1-CD1 4.19Å; I211-I225 HydrophobicContact CD1-CG1 4.28Å; I211-I225 HydrophobicContact CG2-CD1 4.37Å
212	S	97.2	Very high	96.5	Very high	22 Å²	22	58.2 Å²	58.2	15%	0.154	31%	0.312	C	S	.	.			trans	-158.4	144.6	177	-168	0	0	0	0	112	S210 Y214	S210-S212 PolarHBondContact OG-O 3.37Å; S212-Y214 WeakPolarHBondContact CB-O 3.4Å; S212-Y214 PolarHBondContact O-N 2.93Å; S212-Y214 PolarHBondContact OG-N 3.33Å
213	N	96.3	Very high	96.7	Very high	119 Å²	119	58.5 Å²	58.5	64%	0.636	32%	0.316	S	S	*	.	S	Bend	trans	-72.9	-2.4	169.9	-66.1	-33.3	0	0	0	112.9	A176	A176-N213 WeakPolarHBondContact CB-OD1 3.47Å
214	Y	96.7	Very high	97	Very high	175 Å²	175	55.1 Å²	55.1	69%	0.686	29%	0.294	S	S	*	.	S	Bend	trans	-118.4	144.2	177.2	-56.8	-80.8	0	0	0	110.2	S212 L216	S212-Y214 WeakPolarHBondContact CB-O 3.4Å; S212-Y214 PolarHBondContact O-N 2.93Å; S212-Y214 PolarHBondContact OG-N 3.33Å; Y214-L216 PolarHBondContact O-N 2.92Å
215	P	95.3	Very high	97.2	Very high	99 Å²	99	53.9 Å²	53.9	64%	0.643	29%	0.289	S	S	*	.			trans	-58.1	126.4	169.3	-22.2	33	0	0	0	110.3	F171	F171-P215 HydrophobicContact CD1-CG 4.29Å; F171-P215 HydrophobicContact CD2-CG 4.23Å; F171-P215 HydrophobicContact CE1-CG 4.08Å; F171-P215 HydrophobicContact CE2-CG 4.03Å; F171-P215 HydrophobicContact CG-CG 4.36Å; F171-P215 HydrophobicContact CZ-CG 3.95Å
216	L	97.4	Very high	97.3	Very high	48 Å²	48	52.5 Å²	52.5	25%	0.251	28%	0.28	S	S	.	.			trans	-104.7	150.5	179.5	-56.8	-176.3	0	0	0	110.4	I211 Y214 L220 T221 K224	I211-L216 HydrophobicContact CD1-CD1 4.15Å; I211-L216 HydrophobicContact CG1-CD1 4.14Å; Y214-L216 PolarHBondContact O-N 2.92Å; L216-L220 HydrophobicContact CD2-CD2 3.92Å; L216-T221 WeakPolarHBondContact CB-OG1 3.46Å; L216-K224 HydrophobicContact CD1-CD 3.78Å
217	S	98.1	Very high	97.5	Very high	66 Å²	66	49 Å²	49	46%	0.462	27%	0.27	S	S	.	.			trans	-66.3	153.4	162.5	70.1	0	0	0	0	110.2	A219 L220 T221	S217-A219 PolarHBondContact O-N 2.99Å; S217-L220 PolarHBondContact O-N 3.43Å; S217-L220 VanDerWaalsContact OG-CB 3.3Å; S217-L220 WeakPolarHBondContact OG-CB 3.44Å; S217-L220 PolarHBondContact OG-N 3.36Å; S217-L220 VanDerWaalsContact OG-N 3.17Å; S217-T221 PolarHBondContact O-N 2.95Å; S217-T221 PolarHBondContact O-OG1 3.4Å
218	A	98.3	Very high	97.7	Very high	15 Å²	15	44.6 Å²	44.6	12%	0.124	25%	0.25	C	S	.	.	H	α-helix	trans	-58	-39.6	176.1	0	0	0	0	0	111.7	I80 C84 I192 G193 T221 C222	I80-A218 HydrophobicContact CG2-CB 3.82Å; C84-A218 WeakPolarHBondContact SG-CB 3.31Å; I192-A218 HydrophobicContact CG2-CB 4.14Å; G193-A218 WeakPolarHBondContact O-CB 3.37Å; A218-T221 WeakPolarHBondContact O-CB 3.41Å; A218-T221 PolarHBondContact O-N 3.16Å; A218-C222 PolarHBondContact O-N 3.42Å; A218-C222 PolarHBondContact O-SG 3.37Å
219	A	98.5	Very high	97.8	Very high	10 Å²	10	41.5 Å²	41.5	8%	0.083	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-41	178.5	0	0	0	0	0	112.5	Q83 C84 M87 S217 T221 C222 A223	Q83-A219 HydrophobicContact CB-CB 3.85Å; C84-A219 PolarHBondContact SG-N 3.11Å; M87-A219 HydrophobicContact CG-CB 4.08Å; S217-A219 PolarHBondContact O-N 2.99Å; A219-T221 VanDerWaalsContact C-N 3.32Å; A219-C222 WeakPolarHBondContact O-CB 3.3Å; A219-C222 PolarHBondContact O-N 3Å; A219-A223 PolarHBondContact O-N 2.9Å
220	L	98.5	Very high	97.8	Very high	79 Å²	79	41.7 Å²	41.7	41%	0.414	23%	0.231	S	C	.	.	H	α-helix	trans	-68.5	-34.7	175.7	-177.9	57.8	0	0	0	111.6	L216 S217 A223 K224	L216-L220 HydrophobicContact CD2-CD2 3.92Å; S217-L220 PolarHBondContact O-N 3.43Å; S217-L220 VanDerWaalsContact OG-CB 3.3Å; S217-L220 WeakPolarHBondContact OG-CB 3.44Å; S217-L220 PolarHBondContact OG-N 3.36Å; S217-L220 VanDerWaalsContact OG-N 3.17Å; L220-A223 PolarHBondContact O-N 3.32Å; L220-K224 HydrophobicContact CD1-CG 4.47Å; L220-K224 HydrophobicContact CG-CD 4.45Å; L220-K224 WeakPolarHBondContact O-CG 3.18Å; L220-K224 PolarHBondContact O-N 3.32Å
221	T	98.6	Very high	97.8	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.086	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-46	172.3	-55.7	0	0	0	0	110.7	M169 I192 I211 L216 S217 A218 A219 A223 K224 I225	M169-T221 HydrophobicContact CB-CG2 4.21Å; M169-T221 HydrophobicContact CG-CG2 4.05Å; I192-T221 HydrophobicContact CD1-CG2 4.09Å; I192-T221 HydrophobicContact CG1-CG2 4.28Å; I192-T221 HydrophobicContact CG2-CG2 4.2Å; I211-T221 HydrophobicContact CD1-CG2 4.18Å; L216-T221 WeakPolarHBondContact CB-OG1 3.46Å; S217-T221 PolarHBondContact O-N 2.95Å; S217-T221 PolarHBondContact O-OG1 3.4Å; A218-T221 WeakPolarHBondContact O-CB 3.41Å; A218-T221 PolarHBondContact O-N 3.16Å; A219-T221 VanDerWaalsContact C-N 3.32Å; T221-A223 VanDerWaalsContact C-N 3.35Å; T221-A223 PolarHBondContact O-N 3.27Å; T221-K224 PolarHBondContact O-N 2.95Å; T221-I225 HydrophobicContact CG2-CG1 4.46Å; T221-I225 WeakPolarHBondContact O-CB 3.42Å; T221-I225 WeakPolarHBondContact O-CG1 3.22Å; T221-I225 PolarHBondContact O-N 3.23Å
222	C	98.7	Very high	97.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-48.9	173.6	-66.5	0	0	0	0	111.6	M87 L88 I192 A218 A219 I225 C226	M87-C222 HydrophobicContact CB-CB 4.39Å; L88-C222 HydrophobicContact CD2-CB 3.71Å; L88-C222 HydrophobicContact CG-CB 3.85Å; I192-C222 HydrophobicContact CD1-CB 4.45Å; A218-C222 PolarHBondContact O-N 3.42Å; A218-C222 PolarHBondContact O-SG 3.37Å; A219-C222 WeakPolarHBondContact O-CB 3.3Å; A219-C222 PolarHBondContact O-N 3Å; C222-I225 PolarHBondContact O-N 3.17Å; C222-C226 WeakPolarHBondContact O-CB 3.31Å; C222-C226 PolarHBondContact O-N 3.34Å; C222-C226 PolarHBondContact O-SG 3.03Å
223	A	98.5	Very high	97.7	Very high	28 Å²	28	48.7 Å²	48.7	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-47.8	180	0	0	0	0	0	112.2	M87 A219 L220 T221 I225 C226 S227	M87-A223 HydrophobicContact CB-CB 4.48Å; A219-A223 PolarHBondContact O-N 2.9Å; L220-A223 PolarHBondContact O-N 3.32Å; T221-A223 VanDerWaalsContact C-N 3.35Å; T221-A223 PolarHBondContact O-N 3.27Å; A223-I225 VanDerWaalsContact C-N 3.35Å; A223-I225 PolarHBondContact O-N 3.43Å; A223-C226 PolarHBondContact O-N 3.43Å; A223-S227 PolarHBondContact O-N 2.83Å; A223-S227 PolarHBondContact O-OG 2.95Å
224	K	98.4	Very high	97.6	Very high	88 Å²	88	45.7 Å²	45.7	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-40.1	179.1	-77.4	177.9	174.8	-69.8	0	112.8	I211 L216 L220 T221 A228	I211-K224 HydrophobicContact CD1-CB 3.87Å; I211-K224 HydrophobicContact CD1-CD 4.15Å; L216-K224 HydrophobicContact CD1-CD 3.78Å; L220-K224 HydrophobicContact CD1-CG 4.47Å; L220-K224 HydrophobicContact CG-CD 4.45Å; L220-K224 WeakPolarHBondContact O-CG 3.18Å; L220-K224 PolarHBondContact O-N 3.32Å; T221-K224 PolarHBondContact O-N 2.95Å; K224-A228 WeakPolarHBondContact O-CB 3Å; K224-A228 PolarHBondContact O-N 3.36Å
225	I	98.3	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-48.1	176.5	-68.3	-65.3	0	0	0	110.1	L36 M169 V182 V190 I211 T221 C222 A223 S227 A228 F229	L36-I225 HydrophobicContact CD1-CG2 4.28Å; L36-I225 HydrophobicContact CD2-CG2 3.87Å; M169-I225 HydrophobicContact SD-CD1 3.88Å; M169-I225 HydrophobicContact SD-CG1 4.33Å; V182-I225 HydrophobicContact CG2-CD1 4.22Å; V190-I225 HydrophobicContact CG1-CG1 4.46Å; V190-I225 HydrophobicContact CG1-CG2 4.39Å; V190-I225 HydrophobicContact CG2-CG2 4.26Å; I211-I225 HydrophobicContact CD1-CD1 4.19Å; I211-I225 HydrophobicContact CD1-CG1 4.28Å; I211-I225 HydrophobicContact CG2-CD1 4.37Å; T221-I225 HydrophobicContact CG2-CG1 4.46Å; T221-I225 WeakPolarHBondContact O-CB 3.42Å; T221-I225 WeakPolarHBondContact O-CG1 3.22Å; T221-I225 PolarHBondContact O-N 3.23Å; C222-I225 PolarHBondContact O-N 3.17Å; A223-I225 VanDerWaalsContact C-N 3.35Å; A223-I225 PolarHBondContact O-N 3.43Å; I225-S227 VanDerWaalsContact C-N 3.34Å; I225-S227 PolarHBondContact O-N 3.34Å; I225-A228 PolarHBondContact O-N 3.25Å; I225-F229 HydrophobicContact CG2-CD2 3.83Å; I225-F229 HydrophobicContact CG2-CE2 3.86Å; I225-F229 VanDerWaalsContact O-CD2 3.25Å; I225-F229 WeakPolarHBondContact O-CD2 3.26Å; I225-F229 PolarHBondContact O-N 2.91Å
226	C	98.2	Very high	97.1	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-55	-49.2	175.5	-75.5	0	0	0	0	111.7	C222 A223 A228 F229 E230	C222-C226 WeakPolarHBondContact O-CB 3.31Å; C222-C226 PolarHBondContact O-N 3.34Å; C222-C226 PolarHBondContact O-SG 3.03Å; A223-C226 PolarHBondContact O-N 3.43Å; C226-A228 VanDerWaalsContact C-N 3.35Å; C226-A228 PolarHBondContact O-N 3.02Å; C226-F229 PolarHBondContact O-N 3.39Å; C226-E230 WeakPolarHBondContact O-CB 3.32Å; C226-E230 WeakPolarHBondContact O-CG 3.31Å; C226-E230 PolarHBondContact O-N 2.77Å
227	S	98.3	Very high	97.1	Very high	53 Å²	53	44.1 Å²	44.1	37%	0.371	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-38.6	178.9	-60.4	0	0	0	0	113.3	A223 I225 E230 E231	A223-S227 PolarHBondContact O-N 2.83Å; A223-S227 PolarHBondContact O-OG 2.95Å; I225-S227 VanDerWaalsContact C-N 3.34Å; I225-S227 PolarHBondContact O-N 3.34Å; S227-E230 WeakPolarHBondContact CA-OE2 3.31Å; S227-E230 PolarHBondContact O-N 3.27Å; S227-E231 WeakPolarHBondContact O-CG 3.37Å; S227-E231 PolarHBondContact O-N 2.82Å
228	A	98.1	Very high	97	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-43.2	175.8	0	0	0	0	0	112.1	A179 R180 V183 K224 I225 C226 V232	A179-A228 HydrophobicContact CB-CB 3.61Å; R180-A228 HydrophobicContact CG-CB 4.3Å; V183-A228 HydrophobicContact CG2-CB 4.25Å; K224-A228 WeakPolarHBondContact O-CB 3Å; K224-A228 PolarHBondContact O-N 3.36Å; I225-A228 PolarHBondContact O-N 3.25Å; C226-A228 VanDerWaalsContact C-N 3.35Å; C226-A228 PolarHBondContact O-N 3.02Å; A228-V232 VanDerWaalsContact O-CG2 3.31Å; A228-V232 WeakPolarHBondContact O-CG2 3.35Å; A228-V232 PolarHBondContact O-N 3.35Å; A228-V232 VanDerWaalsContact O-N 3.07Å
229	F	97.8	Very high	97	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-39.9	175.8	-85.8	-104	0	0	0	111.9	L36 L93 V183 A188 V190 I225 C226 V232 W233	L36-F229 HydrophobicContact CB-CD1 3.87Å; L36-F229 HydrophobicContact CB-CE1 4.08Å; L36-F229 HydrophobicContact CB-CG 4.35Å; L36-F229 HydrophobicContact CD1-CD1 4.24Å; L36-F229 HydrophobicContact CD1-CD2 4.29Å; L36-F229 HydrophobicContact CD1-CE1 3.86Å; L36-F229 HydrophobicContact CD1-CE2 3.9Å; L36-F229 HydrophobicContact CD1-CG 4.45Å; L36-F229 HydrophobicContact CD1-CZ 3.68Å; L36-F229 HydrophobicContact CD2-CB 4.37Å; L36-F229 HydrophobicContact CD2-CD1 4.34Å; L36-F229 HydrophobicContact CD2-CD2 4.09Å; L36-F229 HydrophobicContact CD2-CG 4Å; L36-F229 HydrophobicContact CG-CD1 4.35Å; L36-F229 HydrophobicContact CG-CE1 4.42Å; L36-F229 HydrophobicContact CG-CG 4.49Å; L93-F229 HydrophobicContact CD1-CB 4.39Å; L93-F229 HydrophobicContact CD2-CB 3.73Å; V183-F229 HydrophobicContact CB-CE2 4.39Å; V183-F229 HydrophobicContact CB-CZ 4.38Å; V183-F229 HydrophobicContact CG1-CD1 3.7Å; V183-F229 HydrophobicContact CG1-CD2 4.35Å; V183-F229 HydrophobicContact CG1-CE1 3.76Å; V183-F229 HydrophobicContact CG1-CE2 4.41Å; V183-F229 HydrophobicContact CG1-CG 4.02Å; V183-F229 HydrophobicContact CG1-CZ 4.12Å; V183-F229 HydrophobicContact CG2-CD1 4.47Å; V183-F229 HydrophobicContact CG2-CD2 3.63Å; V183-F229 HydrophobicContact CG2-CE2 3.75Å; V183-F229 HydrophobicContact CG2-CG 4.03Å; V183-F229 HydrophobicContact CG2-CZ 4.22Å; A188-F229 HydrophobicContact CB-CE1 3.74Å; A188-F229 HydrophobicContact CB-CZ 3.63Å; V190-F229 HydrophobicContact CG2-CE2 4.41Å; V190-F229 HydrophobicContact CG2-CZ 4.43Å; I225-F229 HydrophobicContact CG2-CD2 3.83Å; I225-F229 HydrophobicContact CG2-CE2 3.86Å; I225-F229 VanDerWaalsContact O-CD2 3.25Å; I225-F229 WeakPolarHBondContact O-CD2 3.26Å; I225-F229 PolarHBondContact O-N 2.91Å; C226-F229 PolarHBondContact O-N 3.39Å; F229-V232 PolarHBondContact O-N 2.93Å; F229-W233 HydrophobicContact CD1-CD2 4.17Å; F229-W233 AromaticContact CD1-CE2 3.8Å; F229-W233 HydrophobicContact CD1-CE3 4.11Å; F229-W233 AromaticContact CD1-CH2 3.32Å; F229-W233 HydrophobicContact CD1-CH2 3.32Å; F229-W233 AromaticContact CD1-CZ2 3.39Å; F229-W233 HydrophobicContact CD1-CZ2 3.39Å; F229-W233 AromaticContact CD1-CZ3 3.71Å; F229-W233 HydrophobicContact CD1-CZ3 3.71Å; F229-W233 AromaticContact CE1-CH2 3.59Å; F229-W233 HydrophobicContact CE1-CH2 3.59Å; F229-W233 AromaticContact CE1-CZ2 3.51Å; F229-W233 HydrophobicContact CE1-CZ2 3.51Å; F229-W233 HydrophobicContact CE1-CZ3 4.41Å; F229-W233 VanDerWaalsContact O-CB 3.25Å; F229-W233 WeakPolarHBondContact O-CB 3.46Å; F229-W233 PolarHBondContact O-N 2.86Å
230	E	97.8	Very high	96.9	Very high	21 Å²	21	46.5 Å²	46.5	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-50.2	174.4	-73.3	159.9	-178.1	0	0	111.4	S91 P92 L93 C226 S227 V232 W233 G234 V235	S91-E230 WeakPolarHBondContact CB-OE1 3.48Å; P92-E230 HydrophobicContact CB-CG 4.37Å; P92-E230 WeakPolarHBondContact CD-OE1 3.4Å; L93-E230 HydrophobicContact CB-CG 3.79Å; L93-E230 WeakPolarHBondContact CB-OE1 3.2Å; L93-E230 HydrophobicContact CD1-CG 4.08Å; L93-E230 HydrophobicContact CG-CG 4.43Å; L93-E230 PolarHBondContact N-OE1 3.14Å; C226-E230 WeakPolarHBondContact O-CB 3.32Å; C226-E230 WeakPolarHBondContact O-CG 3.31Å; C226-E230 PolarHBondContact O-N 2.77Å; S227-E230 WeakPolarHBondContact CA-OE2 3.31Å; S227-E230 PolarHBondContact O-N 3.27Å; E230-V232 PolarHBondContact O-N 3.45Å; E230-W233 PolarHBondContact O-N 3.03Å; E230-G234 WeakPolarHBondContact O-CA 3.19Å; E230-G234 PolarHBondContact O-N 3.26Å; E230-V235 HydrophobicContact CB-CB 4.21Å; E230-V235 HydrophobicContact CG-CB 4.18Å; E230-V235 HydrophobicContact CG-CG1 4.38Å; E230-V235 PolarHBondContact O-N 3.24Å
231	E	97.1	Very high	96.8	Very high	107 Å²	107	44.5 Å²	44.5	50%	0.5	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-43.7	179.1	-74.8	-179.7	-156.7	0	0	112.6	R180 S227	R180-E231 VanDerWaalsContact CD-OE2 3.26Å; R180-E231 WeakPolarHBondContact CD-OE2 3.45Å; R180-E231 IonicContact CZ-OE2 3.41Å; R180-E231 IonicContact NE-OE2 3.55Å; R180-E231 IonicContact NH1-OE2 2.77Å; R180-E231 PolarHBondContact NH1-OE2 3.28Å; S227-E231 WeakPolarHBondContact O-CG 3.37Å; S227-E231 PolarHBondContact O-N 2.82Å
232	V	96.9	Very high	96.6	Very high	60 Å²	60	46.5 Å²	46.5	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-74.7	-35.3	-177.4	173.8	0	0	0	0	111.6	R180 V183 A228 F229 E230	R180-V232 HydrophobicContact CB-CG2 3.97Å; R180-V232 HydrophobicContact CG-CG2 4.21Å; V183-V232 HydrophobicContact CB-CB 4.1Å; V183-V232 HydrophobicContact CB-CG1 4Å; V183-V232 HydrophobicContact CB-CG2 4.1Å; V183-V232 HydrophobicContact CG1-CB 3.86Å; V183-V232 HydrophobicContact CG1-CG1 3.68Å; V183-V232 HydrophobicContact CG1-CG2 4.42Å; V183-V232 HydrophobicContact CG2-CB 4.32Å; V183-V232 HydrophobicContact CG2-CG2 4.05Å; A228-V232 VanDerWaalsContact O-CG2 3.31Å; A228-V232 WeakPolarHBondContact O-CG2 3.35Å; A228-V232 PolarHBondContact O-N 3.35Å; A228-V232 VanDerWaalsContact O-N 3.07Å; F229-V232 PolarHBondContact O-N 2.93Å; E230-V232 PolarHBondContact O-N 3.45Å
233	W	95.4	Very high	96.5	Very high	31 Å²	31	49.8 Å²	49.8	12%	0.117	29%	0.286	C	S	.	.	H	α-helix	trans	-90.3	-1.5	179	-64.3	-11.4	0	0	0	114	R34 L36 L93 L98 V183 P184 G186 F229 E230	R34-W233 HydrophobicContact CB-CD2 4.27Å; R34-W233 HydrophobicContact CB-CE3 4.4Å; R34-W233 HydrophobicContact CB-CH2 4.2Å; R34-W233 HydrophobicContact CB-CZ2 4.04Å; R34-W233 HydrophobicContact CB-CZ3 4.39Å; L36-W233 HydrophobicContact CB-CH2 4.2Å; L36-W233 HydrophobicContact CB-CZ3 4.21Å; L93-W233 HydrophobicContact CD1-CE3 3.85Å; L93-W233 HydrophobicContact CD1-CZ3 4.22Å; L98-W233 HydrophobicContact CB-CE3 4.32Å; L98-W233 HydrophobicContact CB-CZ3 4.15Å; L98-W233 HydrophobicContact CD1-CE3 4.17Å; V183-W233 HydrophobicContact CG1-CZ2 4.35Å; P184-W233 PolarHBondContact O-NE1 3.29Å; G186-W233 WeakPolarHBondContact O-CZ2 3.47Å; F229-W233 HydrophobicContact CD1-CD2 4.17Å; F229-W233 AromaticContact CD1-CE2 3.8Å; F229-W233 HydrophobicContact CD1-CE3 4.11Å; F229-W233 AromaticContact CD1-CH2 3.32Å; F229-W233 HydrophobicContact CD1-CH2 3.32Å; F229-W233 AromaticContact CD1-CZ2 3.39Å; F229-W233 HydrophobicContact CD1-CZ2 3.39Å; F229-W233 AromaticContact CD1-CZ3 3.71Å; F229-W233 HydrophobicContact CD1-CZ3 3.71Å; F229-W233 AromaticContact CE1-CH2 3.59Å; F229-W233 HydrophobicContact CE1-CH2 3.59Å; F229-W233 AromaticContact CE1-CZ2 3.51Å; F229-W233 HydrophobicContact CE1-CZ2 3.51Å; F229-W233 HydrophobicContact CE1-CZ3 4.41Å; F229-W233 VanDerWaalsContact O-CB 3.25Å; F229-W233 WeakPolarHBondContact O-CB 3.46Å; F229-W233 PolarHBondContact O-N 2.86Å; E230-W233 PolarHBondContact O-N 3.03Å
234	G	94.8	Very high	96.3	Very high	56 Å²	56	51.5 Å²	51.5	58%	0.577	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	33.3	175.8	0	0	0	0	0	114	E230	E230-G234 WeakPolarHBondContact O-CA 3.19Å; E230-G234 PolarHBondContact O-N 3.26Å
235	V	94.8	Very high	96.2	Very high	26 Å²	26	48.4 Å²	48.4	16%	0.158	28%	0.283	C	S	.	.			trans	-91.1	117.3	172.8	-176.4	0	0	0	0	108.3	P92 L93 A96 L98 E230	P92-V235 HydrophobicContact CB-CG1 3.86Å; L93-V235 HydrophobicContact CD1-CG2 4.13Å; A96-V235 HydrophobicContact CB-CG1 3.99Å; A96-V235 HydrophobicContact CB-CG2 4.3Å; L98-V235 HydrophobicContact CD1-CG2 3.74Å; E230-V235 HydrophobicContact CB-CB 4.21Å; E230-V235 HydrophobicContact CG-CB 4.18Å; E230-V235 HydrophobicContact CG-CG1 4.38Å; E230-V235 PolarHBondContact O-N 3.24Å
236	L	86.5	Confident	96	Very high	219 Å²	219	52.8 Å²	52.8	100%	1.147	31%	0.308	S	S	*	.			trans	-120.1	0	-175.2	-58.3	177	0	0	0	111.9

Retrieved 236 of 236 residues in 529.8 ms (Link to these results)

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