A0A2K6BY36_MACNE Loading...

ADP-ribosylation factor

GTP-binding protein involved in protein trafficking; modulates vesicle budding and uncoating within the Golgi apparatus.

AlphaFold DB , UniProt , Accession A0A2K6BY36, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ARF3, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42.8	Very low	46.2	Very low	247 Å²	247	128.8 Å²	128.8	100%	1.217	71%	0.713	S	S	*	*				0	72	0	-76.7	-154	-79.5	0	0	110.2
2	G	48.7	Very low	45.7	Very low	68 Å²	68	129.3 Å²	129.3	70%	0.701	71%	0.712	S	S	*	*			trans	-134.5	93.4	176.9	0	0	0	0	0	107.7
3	N	51.1	Low	46.4	Very low	141 Å²	141	129.5 Å²	129.5	75%	0.754	71%	0.709	S	S	*	*	S	Bend	trans	-173.1	3.7	167.8	-102.6	-5.3	0	0	0	114.4
4	I	51.7	Low	46.9	Very low	136 Å²	136	124.1 Å²	124.1	70%	0.697	70%	0.698	S	S	*	*	S	Bend	trans	-92.1	-31.6	-176.5	-57.5	177.4	0	0	0	111.6
5	F	46.5	Very low	47.5	Very low	176 Å²	176	124.6 Å²	124.6	77%	0.772	69%	0.69	S	S	*	*	H	α-helix	trans	-77.7	-28.2	-179.9	-84	-87.4	0	0	0	114.6	N7 L9	F5-N7 PolarHBondContact O-N 3.27Å; F5-L9 PolarHBondContact O-N 3.48Å
6	G	46.9	Very low	48.7	Very low	50 Å²	50	122.3 Å²	122.3	52%	0.515	67%	0.671	S	S	.	*	H	α-helix	trans	-71.2	-27.7	179.4	0	0	0	0	0	114.1
7	N	44.2	Very low	49.8	Very low	112 Å²	112	124.4 Å²	124.4	60%	0.599	68%	0.675	S	S	*	*	H	α-helix	trans	-88.4	-25.6	177.8	-71.9	-18.5	0	0	0	112.6	F5	F5-N7 PolarHBondContact O-N 3.27Å
8	L	44.7	Very low	51.4	Low	110 Å²	110	117.7 Å²	117.7	58%	0.576	64%	0.638	S	S	*	*	H	α-helix	trans	-76.3	-32	176.4	-154.4	72	0	0	0	112.3	K10 S11	L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.48Å; L8-S11 WeakPolarHBondContact O-CB 3.46Å; L8-S11 PolarHBondContact O-N 3.47Å
9	L	44.5	Very low	52.9	Low	123 Å²	123	114.3 Å²	114.3	64%	0.644	62%	0.615	S	S	*	*	H	α-helix	trans	-70.7	-26	175.2	-138.5	80.9	0	0	0	113.1	F5 S11 L12	F5-L9 PolarHBondContact O-N 3.48Å; L9-S11 VanDerWaalsContact C-N 3.28Å; L9-S11 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 3.22Å
10	K	43.9	Very low	54.5	Low	155 Å²	155	108.6 Å²	108.6	67%	0.674	59%	0.585	S	S	*	*	H	α-helix	trans	-68.4	-26.8	171.9	-78.3	-178.7	178	176.7	0	112.7	L8 L12	L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.48Å; K10-L12 VanDerWaalsContact C-N 3.31Å
11	S	42.9	Very low	56	Low	99 Å²	99	103.4 Å²	103.4	69%	0.692	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-11.9	176	-172.9	0	0	0	0	113.5	L8 L9	L8-S11 WeakPolarHBondContact O-CB 3.46Å; L8-S11 PolarHBondContact O-N 3.47Å; L9-S11 VanDerWaalsContact C-N 3.28Å; L9-S11 PolarHBondContact O-N 3.31Å
12	L	41.3	Very low	58.2	Low	135 Å²	135	91.7 Å²	91.7	71%	0.707	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	2.6	178.4	-74.2	167.8	0	0	0	113.4	L9 K10 G14	L9-L12 PolarHBondContact O-N 3.22Å; K10-L12 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.44Å
13	I	53.7	Low	60.1	Low	131 Å²	131	88.5 Å²	88.5	67%	0.672	47%	0.466	S	S	*	.	S	Bend	trans	-75.6	84.3	167.1	-54.8	172.3	0	0	0	106.4
14	G	54	Low	62	Low	54 Å²	54	81.8 Å²	81.8	56%	0.557	43%	0.43	S	S	*	.			trans	-51.3	153.1	178.1	0	0	0	0	0	112.2	L12 K16	L12-G14 PolarHBondContact O-N 3.44Å; G14-K16 PolarHBondContact O-N 2.92Å
15	K	56.3	Low	63.8	Low	132 Å²	132	75.8 Å²	75.8	57%	0.574	40%	0.399	S	S	*	.			trans	-49.1	126.8	169.8	-74.1	-174.2	179.7	-177.4	0	108.1	E57	K15-E57 VanDerWaalsContact NZ-CD 3.35Å; K15-E57 IonicContact NZ-OE1 2.66Å; K15-E57 PolarHBondContact NZ-OE1 3.3Å; K15-E57 IonicContact NZ-OE2 2.78Å; K15-E57 PolarHBondContact NZ-OE2 3.14Å
16	K	65.6	Low	65.7	Low	88 Å²	88	69.6 Å²	69.6	38%	0.383	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	107.5	-176.7	-169.9	171.6	-179.1	179.6	0	107.6	G14 M18 N60	G14-K16 PolarHBondContact O-N 2.92Å; K16-M18 HydrophobicContact CD-CE 3.65Å; K16-M18 HydrophobicContact CD-SD 4.35Å; K16-M18 HydrophobicContact CG-CE 4.02Å; K16-M18 HydrophobicContact CG-SD 4.16Å; K16-M18 PolarHBondContact O-N 3.12Å; K16-N60 PolarHBondContact N-O 3.13Å; K16-N60 VanDerWaalsContact N-O 3.13Å
17	E	68.4	Low	67.7	Low	157 Å²	157	70.4 Å²	70.4	73%	0.734	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	127.7	174.8	-62.1	-175.2	170.3	0	0	109.1
18	M	77.5	Confident	70	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.02	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.2	175.9	-57.6	-70.8	-154.3	0	0	108.4	K16 I20 I61 S62 Q86 L177	K16-M18 HydrophobicContact CD-CE 3.65Å; K16-M18 HydrophobicContact CD-SD 4.35Å; K16-M18 HydrophobicContact CG-CE 4.02Å; K16-M18 HydrophobicContact CG-SD 4.16Å; K16-M18 PolarHBondContact O-N 3.12Å; M18-I20 HydrophobicContact CB-CD1 4.42Å; M18-I20 PolarHBondContact O-N 3.23Å; M18-I61 HydrophobicContact CB-CG2 3.72Å; M18-I61 HydrophobicContact CG-CG1 4.45Å; M18-I61 HydrophobicContact CG-CG2 3.77Å; M18-S62 PolarHBondContact N-O 3.19Å; M18-Q86 PolarHBondContact SD-NE2 3.43Å; M18-L177 HydrophobicContact CB-CD1 4.5Å; M18-L177 HydrophobicContact CE-CB 4.2Å
19	R	80.9	Confident	72.2	Confident	54 Å²	54	60.4 Å²	60.4	20%	0.204	33%	0.325	C	S	.	.			trans	-76.6	116.9	177.2	-169.5	-179.3	-175.5	168.8	10.7	109.6	W66 Y81 Q83 N84 Q86 G87	R19-W66 VanDerWaalsContact NH2-CZ2 3.27Å; R19-Y81 VanDerWaalsContact CZ-O 3.29Å; R19-Y81 PolarHBondContact NE-O 3.05Å; R19-Y81 VanDerWaalsContact NH2-CA 3.32Å; R19-Y81 PolarHBondContact NH2-O 3.24Å; R19-Q83 WeakPolarHBondContact CD-O 3.31Å; R19-Q83 PolarHBondContact NH1-O 3.37Å; R19-N84 WeakPolarHBondContact CB-O 3.42Å; R19-Q86 PolarHBondContact O-N 2.99Å; R19-G87 PolarHBondContact O-N 3.04Å
20	I	84.6	Confident	74.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.6	179.9	-66.8	167	0	0	0	109.2	M18 I61 F63 T64 G87 I89 L173 L177	M18-I20 HydrophobicContact CB-CD1 4.42Å; M18-I20 PolarHBondContact O-N 3.23Å; I20-I61 HydrophobicContact CD1-CG2 4.3Å; I20-F63 HydrophobicContact CB-CD1 3.97Å; I20-F63 HydrophobicContact CD1-CD1 3.19Å; I20-F63 HydrophobicContact CD1-CE1 3.16Å; I20-F63 HydrophobicContact CD1-CG 4.04Å; I20-F63 HydrophobicContact CD1-CZ 3.98Å; I20-F63 HydrophobicContact CG1-CD1 4.14Å; I20-F63 HydrophobicContact CG1-CE1 4.45Å; I20-F63 HydrophobicContact CG2-CD1 4.05Å; I20-T64 CarbonylContact O-C 3.48Å; I20-G87 CarbonylContact C-O 3.55Å; I20-G87 VanDerWaalsContact CA-O 3.26Å; I20-G87 WeakPolarHBondContact CA-O 3.45Å; I20-I89 HydrophobicContact CG2-CD1 3.8Å; I20-I89 HydrophobicContact CG2-CG1 3.8Å; I20-L173 HydrophobicContact CD1-CD2 4.04Å; I20-L173 HydrophobicContact CG2-CD2 4.13Å; I20-L177 HydrophobicContact CD1-CD1 3.69Å; I20-L177 HydrophobicContact CG1-CD1 4.11Å
21	L	86.5	Confident	76.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.9	179.7	179.7	58.2	0	0	0	109.6	V23 W66 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.85Å; L21-V23 HydrophobicContact CD2-CG1 4.21Å; L21-V23 HydrophobicContact CG-CG1 3.79Å; L21-W66 HydrophobicContact CD1-CB 3.6Å; L21-W66 VanDerWaalsContact CD1-CD1 3.48Å; L21-W66 HydrophobicContact CD1-CG 3.73Å; L21-F82 HydrophobicContact CD2-CD1 3.56Å; L21-F82 HydrophobicContact CD2-CE1 3.67Å; L21-T85 HydrophobicContact CB-CG2 3.7Å; L21-G87 PolarHBondContact N-O 2.87Å; L21-L88 HydrophobicContact CB-CD1 4.09Å; L21-L88 HydrophobicContact CD2-CD1 4.15Å; L21-L88 HydrophobicContact CG-CD1 4.06Å; L21-L88 CarbonylContact O-C 3.55Å; L21-L88 WeakPolarHBondContact O-CA 2.95Å; L21-I89 PolarHBondContact O-N 2.88Å; L21-M110 HydrophobicContact CD2-CE 4.07Å
22	M	89	Confident	78.3	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.3	172.5	-176.8	-172.6	-61.9	0	0	110.1	K30 I33 V65 I89 V91	M22-K30 HydrophobicContact CG-CG 4.46Å; M22-K30 HydrophobicContact SD-CB 4.15Å; M22-I33 HydrophobicContact CE-CB 4.45Å; M22-I33 HydrophobicContact CE-CG2 3.68Å; M22-I33 HydrophobicContact SD-CB 4.31Å; M22-I33 HydrophobicContact SD-CG2 4.17Å; M22-V65 HydrophobicContact CB-CG1 3.85Å; M22-V65 HydrophobicContact CB-CG2 4.3Å; M22-V65 HydrophobicContact CE-CG1 4.47Å; M22-V65 HydrophobicContact CE-CG2 4.07Å; M22-V65 HydrophobicContact SD-CG1 4.22Å; M22-I89 CarbonylContact C-O 3.53Å; M22-I89 VanDerWaalsContact CA-O 3.25Å; M22-I89 WeakPolarHBondContact CA-O 3.29Å; M22-I89 HydrophobicContact CB-CB 4.1Å; M22-I89 HydrophobicContact CE-CD1 3.98Å; M22-I89 HydrophobicContact CE-CG2 4.25Å; M22-I89 HydrophobicContact CG-CB 4.01Å; M22-I89 HydrophobicContact CG-CG2 3.98Å; M22-V91 HydrophobicContact CG-CG2 3.76Å; M22-V91 HydrophobicContact SD-CG2 4.03Å
23	V	88.3	Confident	80.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	174.8	-171.9	-73.4	0	0	0	0	110.3	L21 K30 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.85Å; L21-V23 HydrophobicContact CD2-CG1 4.21Å; L21-V23 HydrophobicContact CG-CG1 3.79Å; V23-K30 VanDerWaalsContact C-CD 3.46Å; V23-W78 HydrophobicContact CG1-CD2 4.29Å; V23-L88 HydrophobicContact CG2-CD1 3.52Å; V23-I89 PolarHBondContact N-O 3.06Å; V23-F90 HydrophobicContact CG2-CD2 3.95Å; V23-F90 CarbonylContact O-C 3.58Å; V23-F90 WeakPolarHBondContact O-CA 3.49Å; V23-V91 PolarHBondContact O-N 2.92Å; V23-M110 HydrophobicContact CB-CE 4.35Å; V23-M110 HydrophobicContact CB-SD 4.36Å; V23-M110 HydrophobicContact CG1-CE 4.33Å; V23-M110 HydrophobicContact CG2-CE 3.59Å; V23-M110 HydrophobicContact CG2-SD 3.71Å
24	G	90.6	Very high	82	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.			trans	147.1	172.6	-174.1	0	0	0	0	0	110.4	K30	G24-K30 PolarHBondContact O-NZ 3.45Å
25	L	89.8	Confident	83.2	Confident	11 Å²	11	32.9 Å²	32.9	6%	0.058	17%	0.165	C	C	.	.	S	Bend	trans	-61.2	162	179.3	-56	-168.6	0	0	0	111.9	A28 K30 R99 E102 A103 E106	L25-A28 VanDerWaalsContact O-CB 3.25Å; L25-A28 WeakPolarHBondContact O-CB 3.41Å; L25-A28 PolarHBondContact O-N 3.18Å; L25-K30 PolarHBondContact O-NZ 3Å; L25-R99 HydrophobicContact CD1-CB 3.81Å; L25-R99 WeakPolarHBondContact CD1-O 3.41Å; L25-E102 HydrophobicContact CD1-CB 4.21Å; L25-E102 HydrophobicContact CD1-CG 4.15Å; L25-E102 HydrophobicContact CD2-CG 4.3Å; L25-A103 HydrophobicContact CD1-CB 3.82Å; L25-A103 HydrophobicContact CG-CB 3.93Å; L25-E106 HydrophobicContact CD2-CG 4.12Å
26	D	86.2	Confident	84.6	Confident	46 Å²	46	28 Å²	28	25%	0.246	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	153.4	171.7	57	-81.1	0	0	0	110.4	A28 G70 Q71 R99	D26-A28 PolarHBondContact O-N 3.05Å; D26-G70 VanDerWaalsContact N-CA 3.34Å; D26-Q71 HydrophobicContact CB-CG 4.28Å; D26-R99 VanDerWaalsContact CG-NH1 3.33Å; D26-R99 PolarHBondContact O-NH2 3.13Å; D26-R99 IonicContact OD1-NH1 3.62Å; D26-R99 PolarHBondContact OD1-NH1 3.42Å; D26-R99 IonicContact OD2-CZ 2.7Å; D26-R99 IonicContact OD2-NH1 2.95Å; D26-R99 PolarHBondContact OD2-NH1 2.89Å; D26-R99 IonicContact OD2-NH2 3.72Å
27	A	88.6	Confident	85.3	Confident	66 Å²	66	25 Å²	25	55%	0.545	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	1.3	-174.3	0	0	0	0	0	116.4	G29 K127	A27-G29 PolarHBondContact O-N 3.35Å; A27-G29 VanDerWaalsContact O-N 3.13Å; A27-K127 WeakPolarHBondContact O-CE 3.3Å; A27-K127 PolarHBondContact O-NZ 3.4Å
28	A	92.1	Very high	85.4	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.008	12%	0.119	C	C	.	.	S	Bend	trans	-63.5	-18.3	177.2	0	0	0	0	0	114.6	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.25Å; L25-A28 WeakPolarHBondContact O-CB 3.41Å; L25-A28 PolarHBondContact O-N 3.18Å; D26-A28 PolarHBondContact O-N 3.05Å; A28-V91 HydrophobicContact CB-CB 4.31Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 WeakPolarHBondContact CB-O 3.41Å; A28-V91 WeakPolarHBondContact O-CG1 3.3Å; A28-N126 PolarHBondContact O-ND2 3.16Å
29	G	90.9	Very high	84.7	Confident	11 Å²	11	26.7 Å²	26.7	11%	0.113	14%	0.14	C	C	.	.	S	Bend	trans	101.7	15.9	176.5	0	0	0	0	0	115.4	A27 T31 T32 I33	A27-G29 PolarHBondContact O-N 3.35Å; A27-G29 VanDerWaalsContact O-N 3.13Å; G29-T31 PolarHBondContact O-N 3.31Å; G29-T32 WeakPolarHBondContact O-CB 3.37Å; G29-T32 PolarHBondContact O-N 3.12Å; G29-I33 WeakPolarHBondContact O-CG1 3Å; G29-I33 PolarHBondContact O-N 3.43Å
30	K	88.4	Confident	83.5	Confident	8 Å²	8	26.9 Å²	26.9	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-52.6	-52.1	177.3	-58.3	-177.6	-62.5	-81.3	0	112.7	M22 V23 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CG-CG 4.46Å; M22-K30 HydrophobicContact SD-CB 4.15Å; V23-K30 VanDerWaalsContact C-CD 3.46Å; G24-K30 PolarHBondContact O-NZ 3.45Å; L25-K30 PolarHBondContact O-NZ 3Å; K30-T32 VanDerWaalsContact C-N 3.33Å; K30-T32 PolarHBondContact O-N 3.31Å; K30-I33 PolarHBondContact O-N 3.1Å; K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 3.08Å; K30-D67 VanDerWaalsContact CE-OD1 3.23Å; K30-D67 WeakPolarHBondContact CE-OD1 3.33Å; K30-V68 WeakPolarHBondContact CE-O 3.47Å; K30-V91 HydrophobicContact CG-CB 3.94Å; K30-V91 HydrophobicContact CG-CG2 3.89Å
31	T	82.8	Confident	81.5	Confident	21 Å²	21	33.8 Å²	33.8	13%	0.129	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-45.6	177.3	-35.2	0	0	0	0	110.8	G29 I33 L34 Y35 T45 D67	G29-T31 PolarHBondContact O-N 3.31Å; T31-I33 VanDerWaalsContact C-N 3.35Å; T31-I33 PolarHBondContact O-N 3.37Å; T31-L34 WeakPolarHBondContact O-CB 3.27Å; T31-L34 PolarHBondContact O-N 2.9Å; T31-Y35 HydrophobicContact CG2-CD2 3.74Å; T31-Y35 HydrophobicContact CG2-CE2 3.58Å; T31-Y35 VanDerWaalsContact O-CD2 3.27Å; T31-Y35 WeakPolarHBondContact O-CD2 3.22Å; T31-Y35 PolarHBondContact O-N 2.79Å; T31-T45 HydrophobicContact CG2-CG2 3.96Å; T31-D67 WeakPolarHBondContact CB-OD2 3.38Å; T31-D67 PolarHBondContact OG1-OD2 3.12Å
32	T	88.1	Confident	79.3	Confident	25 Å²	25	38.9 Å²	38.9	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-45.1	178.4	-46	0	0	0	0	111.5	G29 K30 Y35 K36 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.37Å; G29-T32 PolarHBondContact O-N 3.12Å; K30-T32 VanDerWaalsContact C-N 3.33Å; K30-T32 PolarHBondContact O-N 3.31Å; T32-Y35 PolarHBondContact O-N 2.64Å; T32-K36 WeakPolarHBondContact O-CB 3.34Å; T32-K36 PolarHBondContact O-N 2.78Å; T32-A160 HydrophobicContact CG2-CB 3.8Å; T32-T161 HydrophobicContact CG2-CG2 4.2Å
33	I	89	Confident	76.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.8	-49.1	175.1	-66.1	172.5	0	0	0	110.2	M22 G29 K30 T31 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CB 4.45Å; M22-I33 HydrophobicContact CE-CG2 3.68Å; M22-I33 HydrophobicContact SD-CB 4.31Å; M22-I33 HydrophobicContact SD-CG2 4.17Å; G29-I33 WeakPolarHBondContact O-CG1 3Å; G29-I33 PolarHBondContact O-N 3.43Å; K30-I33 PolarHBondContact O-N 3.1Å; T31-I33 VanDerWaalsContact C-N 3.35Å; T31-I33 PolarHBondContact O-N 3.37Å; I33-Y35 PolarHBondContact O-N 3.44Å; I33-K36 PolarHBondContact O-N 3.41Å; I33-L37 HydrophobicContact CG2-CD1 3.73Å; I33-L37 HydrophobicContact CG2-CG 4.27Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.27Å; I33-L37 PolarHBondContact O-N 3.06Å; I33-V91 HydrophobicContact CD1-CG1 3.79Å; I33-V91 HydrophobicContact CD1-CG2 3.97Å; I33-F124 HydrophobicContact CD1-CD2 3.91Å; I33-F124 HydrophobicContact CG2-CE2 4.44Å; I33-A160 HydrophobicContact CD1-CB 4.39Å; I33-A160 HydrophobicContact CG1-CB 3.49Å; I33-A160 VanDerWaalsContact CG1-CB 3.49Å; I33-L166 HydrophobicContact CD1-CD2 4.12Å; I33-L166 HydrophobicContact CG1-CD2 3.89Å; I33-L166 HydrophobicContact CG2-CD1 4.31Å; I33-L166 HydrophobicContact CG2-CD2 3.99Å
34	L	83.9	Confident	74.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-54.7	-51.7	179.4	169.3	69.7	0	0	0	111.9	K30 T31 L37 K38 E54 V56 V65	K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 3.08Å; T31-L34 WeakPolarHBondContact O-CB 3.27Å; T31-L34 PolarHBondContact O-N 2.9Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-K38 VanDerWaalsContact O-CB 3.31Å; L34-K38 WeakPolarHBondContact O-CB 3.36Å; L34-K38 PolarHBondContact O-N 3.32Å; L34-E54 HydrophobicContact CD1-CB 3.64Å; L34-E54 HydrophobicContact CD2-CB 3.77Å; L34-E54 HydrophobicContact CD2-CG 3.86Å; L34-E54 HydrophobicContact CG-CB 4.19Å; L34-V56 HydrophobicContact CD1-CG2 3.31Å; L34-V65 HydrophobicContact CB-CG1 4.29Å; L34-V65 HydrophobicContact CD1-CB 3.74Å; L34-V65 HydrophobicContact CD1-CG1 3.77Å; L34-V65 HydrophobicContact CD1-CG2 4.14Å; L34-V65 HydrophobicContact CD2-CG1 4.25Å; L34-V65 HydrophobicContact CG-CG1 4.33Å
35	Y	80.4	Confident	72.4	Confident	65 Å²	65	50.8 Å²	50.8	26%	0.255	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-40.2	179.3	-83	-83.7	0	0	0	112.3	T31 T32 I33 L37 K38 L39 V43	T31-Y35 HydrophobicContact CG2-CD2 3.74Å; T31-Y35 HydrophobicContact CG2-CE2 3.58Å; T31-Y35 VanDerWaalsContact O-CD2 3.27Å; T31-Y35 WeakPolarHBondContact O-CD2 3.22Å; T31-Y35 PolarHBondContact O-N 2.79Å; T32-Y35 PolarHBondContact O-N 2.64Å; I33-Y35 PolarHBondContact O-N 3.44Å; Y35-L37 VanDerWaalsContact C-N 3.27Å; Y35-L37 PolarHBondContact O-N 2.98Å; Y35-K38 PolarHBondContact O-N 3.42Å; Y35-L39 HydrophobicContact CD1-CD1 3.76Å; Y35-L39 HydrophobicContact CE1-CD1 4.45Å; Y35-L39 PolarHBondContact O-N 2.98Å; Y35-V43 HydrophobicContact CD1-CB 4.23Å; Y35-V43 HydrophobicContact CD1-CG2 4.2Å; Y35-V43 HydrophobicContact CG-CB 4.41Å
36	K	85	Confident	70.1	Confident	31 Å²	31	57 Å²	57	14%	0.135	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-41.1	176.7	-169.9	73.1	178.7	-166.4	0	111.4	T32 I33 G40 I42 T161 S162 L166	T32-K36 WeakPolarHBondContact O-CB 3.34Å; T32-K36 PolarHBondContact O-N 2.78Å; I33-K36 PolarHBondContact O-N 3.41Å; K36-G40 PolarHBondContact O-N 3.35Å; K36-I42 HydrophobicContact CD-CG1 4.11Å; K36-T161 PolarHBondContact NZ-O 3.37Å; K36-S162 WeakPolarHBondContact CE-O 3.24Å; K36-S162 PolarHBondContact NZ-O 3.47Å; K36-L166 HydrophobicContact CB-CD1 4.24Å; K36-L166 HydrophobicContact CG-CD1 3.95Å
37	L	79.5	Confident	67.9	Low	25 Å²	25	60.7 Å²	60.7	13%	0.131	35%	0.348	C	S	.	.	H	α-helix	trans	-74.7	-34.5	177.3	-64.3	171.5	0	0	0	112.9	I33 L34 Y35 V56 L166 Y167 L170	I33-L37 HydrophobicContact CG2-CD1 3.73Å; I33-L37 HydrophobicContact CG2-CG 4.27Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.27Å; I33-L37 PolarHBondContact O-N 3.06Å; L34-L37 PolarHBondContact O-N 3.49Å; Y35-L37 VanDerWaalsContact C-N 3.27Å; Y35-L37 PolarHBondContact O-N 2.98Å; L37-V56 HydrophobicContact CB-CG1 3.84Å; L37-L166 HydrophobicContact CD2-CB 4.32Å; L37-L166 HydrophobicContact CD2-CD1 4.4Å; L37-Y167 HydrophobicContact CD2-CE1 4.17Å; L37-L170 HydrophobicContact CD1-CD1 3.77Å; L37-L170 HydrophobicContact CD2-CD1 3.53Å; L37-L170 HydrophobicContact CG-CD1 4.3Å
38	K	71.9	Confident	66.1	Low	105 Å²	105	60.4 Å²	60.4	46%	0.457	34%	0.34	S	S	.	.	H	α-helix	trans	-76	-38.1	-176.8	-170.6	175.7	-175.3	-175.8	0	113.5	L34 Y35 E54 V56	L34-K38 VanDerWaalsContact O-CB 3.31Å; L34-K38 WeakPolarHBondContact O-CB 3.36Å; L34-K38 PolarHBondContact O-N 3.32Å; Y35-K38 PolarHBondContact O-N 3.42Å; K38-E54 WeakPolarHBondContact CD-OE2 3.21Å; K38-E54 WeakPolarHBondContact CE-OE2 3.44Å; K38-E54 IonicContact NZ-OE2 3.87Å; K38-E54 PolarHBondContact NZ-OE2 2.81Å; K38-V56 HydrophobicContact CB-CG2 4.22Å
39	L	62.2	Low	63.6	Low	90 Å²	90	68.6 Å²	68.6	47%	0.471	38%	0.382	S	S	.	.	H	α-helix	trans	-111.2	-11.3	-168	-62.2	175.8	0	0	0	113.6	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.76Å; Y35-L39 HydrophobicContact CE1-CD1 4.45Å; Y35-L39 PolarHBondContact O-N 2.98Å; L39-E41 PolarHBondContact O-N 3.42Å; L39-V43 HydrophobicContact CD1-CG2 3.49Å; L39-V43 VanDerWaalsContact CD1-CG2 3.49Å
40	G	56.5	Low	61.6	Low	58 Å²	58	70.2 Å²	70.2	60%	0.598	40%	0.399	S	S	*	.	S	Bend	trans	63.4	-0.4	-169.3	0	0	0	0	0	113.7	K36	K36-G40 PolarHBondContact O-N 3.35Å
41	E	40.9	Very low	60.1	Low	146 Å²	146	72.9 Å²	72.9	68%	0.682	41%	0.411	S	S	*	.	S	Bend	trans	-127.5	152.6	-174.9	-68.6	-170.7	170.3	0	0	111	L39 V43	L39-E41 PolarHBondContact O-N 3.42Å; E41-V43 PolarHBondContact O-N 3.29Å
42	I	41	Very low	58.9	Low	107 Å²	107	73.8 Å²	73.8	55%	0.549	42%	0.415	S	S	.	.			trans	-82.1	111.3	-178.5	-57.3	172.4	0	0	0	108.5	K36 T161	K36-I42 HydrophobicContact CD-CG1 4.11Å; I42-T161 WeakPolarHBondContact CD1-O 3.22Å; I42-T161 VanDerWaalsContact CG1-O 3.27Å; I42-T161 WeakPolarHBondContact CG1-O 3.34Å
43	V	38.7	Very low	57.4	Low	59 Å²	59	75.6 Å²	75.6	36%	0.358	43%	0.425	S	S	.	.			trans	-98.9	126.1	168.1	-176.8	0	0	0	0	108.6	Y35 L39 E41 T45	Y35-V43 HydrophobicContact CD1-CB 4.23Å; Y35-V43 HydrophobicContact CD1-CG2 4.2Å; Y35-V43 HydrophobicContact CG-CB 4.41Å; L39-V43 HydrophobicContact CD1-CG2 3.49Å; L39-V43 VanDerWaalsContact CD1-CG2 3.49Å; E41-V43 PolarHBondContact O-N 3.29Å; V43-T45 PolarHBondContact O-N 2.92Å; V43-T45 VanDerWaalsContact O-N 3.14Å
44	T	42	Very low	56.2	Low	128 Å²	128	76.3 Å²	76.3	79%	0.785	43%	0.429	S	S	*	.			trans	-62.3	112.5	169.9	45	0	0	0	0	109.1
45	T	42.9	Very low	55.1	Low	63 Å²	63	79.8 Å²	79.8	39%	0.387	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-76.6	136	-175.8	55.2	0	0	0	0	111.6	T31 V43	T31-T45 HydrophobicContact CG2-CG2 3.96Å; V43-T45 PolarHBondContact O-N 2.92Å; V43-T45 VanDerWaalsContact O-N 3.14Å
46	I	41.6	Very low	54.5	Low	142 Å²	142	77 Å²	77	73%	0.728	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-95.9	139.3	167.9	-60.9	173.2	0	0	0	107.8	T48	I46-T48 PolarHBondContact O-N 2.58Å
47	P	40.4	Very low	53.5	Low	123 Å²	123	81.2 Å²	81.2	80%	0.799	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-54.6	124.1	176.3	-23	32.2	0	0	0	111.4
48	T	50	Low	53	Low	60 Å²	60	81.8 Å²	81.8	37%	0.368	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-82.3	133.5	-175.6	38.8	0	0	0	0	112	I46	I46-T48 PolarHBondContact O-N 2.58Å
49	I	39.6	Very low	52.8	Low	174 Å²	174	82.3 Å²	82.3	89%	0.892	46%	0.463	S	S	*	.	S	Bend	trans	-92.2	109.2	165.1	-61.9	174.6	0	0	0	107.2
50	G	49.2	Very low	52.6	Low	45 Å²	45	83 Å²	83	46%	0.464	47%	0.467	S	S	.	.	S	Bend	trans	76.9	130.2	170.7	0	0	0	0	0	114.9	N52	G50-N52 PolarHBondContact O-N 2.8Å
51	F	56	Low	52.8	Low	64 Å²	64	80.7 Å²	80.7	28%	0.281	44%	0.441	S	S	.	.			trans	11.1	100.8	162	-64.4	-89.8	0	0	0	116.9	V68 I74 L77 Y81	F51-V68 HydrophobicContact CD1-CG1 4.01Å; F51-V68 HydrophobicContact CD1-CG2 4.21Å; F51-V68 HydrophobicContact CE1-CB 4.21Å; F51-V68 HydrophobicContact CE1-CG1 3.26Å; F51-V68 HydrophobicContact CE1-CG2 3.98Å; F51-V68 HydrophobicContact CZ-CG1 3.48Å; F51-V68 VanDerWaalsContact CZ-CG1 3.48Å; F51-I74 HydrophobicContact CE2-CB 4.31Å; F51-I74 HydrophobicContact CE2-CG2 4.41Å; F51-I74 HydrophobicContact CZ-CB 4.23Å; F51-L77 HydrophobicContact CD2-CD1 4.27Å; F51-L77 HydrophobicContact CE1-CB 3.44Å; F51-L77 VanDerWaalsContact CE1-CB 3.44Å; F51-L77 HydrophobicContact CE1-CD1 4.07Å; F51-L77 HydrophobicContact CE1-CG 4.34Å; F51-L77 HydrophobicContact CE2-CB 4.2Å; F51-L77 HydrophobicContact CE2-CD1 3.17Å; F51-L77 HydrophobicContact CE2-CG 4.25Å; F51-L77 HydrophobicContact CZ-CB 3.2Å; F51-L77 HydrophobicContact CZ-CD1 3.08Å; F51-L77 HydrophobicContact CZ-CG 3.7Å; F51-Y81 AromaticContact CD1-CE2 3.79Å; F51-Y81 HydrophobicContact CD1-CE2 3.79Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.47Å; F51-Y81 AromaticContact CE1-CE2 3.91Å; F51-Y81 HydrophobicContact CE1-CE2 3.91Å
52	N	57.3	Low	53.6	Low	40 Å²	40	74.7 Å²	74.7	21%	0.214	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.7	166.1	-170.9	30.9	0	0	0	110	G50 E54 W66 D67	G50-N52 PolarHBondContact O-N 2.8Å; N52-E54 PolarHBondContact ND2-OE1 3.35Å; N52-W66 CarbonylContact O-C 3.57Å; N52-D67 HydrophobicContact CB-CB 4.26Å; N52-D67 PolarHBondContact N-O 2.95Å; N52-D67 PolarHBondContact O-N 3.38Å
53	V	58.5	Low	54.7	Low	62 Å²	62	69.9 Å²	69.9	38%	0.376	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	112.4	-179.6	-168.7	0	0	0	0	107	T64 W66	V53-T64 HydrophobicContact CG1-CG2 3.76Å; V53-W66 HydrophobicContact CB-CE3 3.9Å; V53-W66 HydrophobicContact CB-CZ3 3.89Å; V53-W66 HydrophobicContact CG1-CD2 3.74Å; V53-W66 HydrophobicContact CG1-CE3 3.48Å; V53-W66 VanDerWaalsContact CG1-CE3 3.48Å; V53-W66 HydrophobicContact CG1-CH2 3.66Å; V53-W66 HydrophobicContact CG1-CZ2 3.9Å; V53-W66 HydrophobicContact CG1-CZ3 3.42Å; V53-W66 VanDerWaalsContact CG1-CZ3 3.42Å; V53-W66 HydrophobicContact CG2-CD2 4.24Å; V53-W66 HydrophobicContact CG2-CE3 3.23Å; V53-W66 HydrophobicContact CG2-CH2 4.19Å; V53-W66 HydrophobicContact CG2-CZ3 3.18Å
54	E	62.9	Low	55.5	Low	16 Å²	16	68.7 Å²	68.7	8%	0.075	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136	-178.4	-65.5	-156.4	-157.7	0	0	111.3	L34 K38 N52 T64 V65	L34-E54 HydrophobicContact CD1-CB 3.64Å; L34-E54 HydrophobicContact CD2-CB 3.77Å; L34-E54 HydrophobicContact CD2-CG 3.86Å; L34-E54 HydrophobicContact CG-CB 4.19Å; K38-E54 WeakPolarHBondContact CD-OE2 3.21Å; K38-E54 WeakPolarHBondContact CE-OE2 3.44Å; K38-E54 IonicContact NZ-OE2 3.87Å; K38-E54 PolarHBondContact NZ-OE2 2.81Å; N52-E54 PolarHBondContact ND2-OE1 3.35Å; E54-T64 CarbonylContact O-C 3.49Å; E54-V65 PolarHBondContact N-O 3.14Å; E54-V65 PolarHBondContact O-N 3.15Å
55	T	61.2	Low	56.3	Low	73 Å²	73	62.7 Å²	62.7	45%	0.448	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.5	173.3	-59.8	0	0	0	0	109.1	S62 F63	T55-S62 WeakPolarHBondContact CG2-OG 3.34Å; T55-F63 CarbonylContact C-O 3.46Å; T55-F63 VanDerWaalsContact CA-O 3.24Å; T55-F63 WeakPolarHBondContact CA-O 3.14Å
56	V	66.4	Low	57	Low	5 Å²	5	61.5 Å²	61.5	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.6	175.1	-178.7	0	0	0	0	108.5	L34 L37 K38 F63	L34-V56 HydrophobicContact CD1-CG2 3.31Å; L37-V56 HydrophobicContact CB-CG1 3.84Å; K38-V56 HydrophobicContact CB-CG2 4.22Å; V56-F63 HydrophobicContact CB-CB 4.39Å; V56-F63 PolarHBondContact N-O 2.68Å; V56-F63 WeakPolarHBondContact O-CB 3.44Å; V56-F63 WeakPolarHBondContact O-CD2 3.18Å; V56-F63 PolarHBondContact O-N 3.09Å
57	E	66.1	Low	57.9	Low	121 Å²	121	55 Å²	55	57%	0.565	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.7	171.8	-63.2	-164.7	165.6	0	0	110	K15	K15-E57 VanDerWaalsContact NZ-CD 3.35Å; K15-E57 IonicContact NZ-OE1 2.66Å; K15-E57 PolarHBondContact NZ-OE1 3.3Å; K15-E57 IonicContact NZ-OE2 2.78Å; K15-E57 PolarHBondContact NZ-OE2 3.14Å
58	Y	67.6	Low	58.8	Low	37 Å²	37	49.1 Å²	49.1	15%	0.145	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.9	169	176.1	-100	0	0	0	110.9	N60 I61 F63 Y167 L170 D171	Y58-N60 PolarHBondContact O-N 2.89Å; Y58-I61 PolarHBondContact N-O 3.39Å; Y58-I61 PolarHBondContact O-N 3.07Å; Y58-I61 VanDerWaalsContact O-O 3.06Å; Y58-F63 HydrophobicContact CD1-CE2 4.19Å; Y58-F63 HydrophobicContact CD1-CZ 4.2Å; Y58-F63 HydrophobicContact CG-CE2 4.33Å; Y58-Y167 HydrophobicContact CD2-CD1 4.06Å; Y58-Y167 AromaticContact CD2-CE1 3.91Å; Y58-Y167 HydrophobicContact CD2-CE1 3.91Å; Y58-Y167 AromaticContact CE2-CD1 3.25Å; Y58-Y167 HydrophobicContact CE2-CD1 3.25Å; Y58-Y167 AromaticContact CE2-CE1 3.43Å; Y58-Y167 HydrophobicContact CE2-CE1 3.43Å; Y58-Y167 VanDerWaalsContact CE2-CE1 3.43Å; Y58-Y167 HydrophobicContact CE2-CG 4.49Å; Y58-Y167 AromaticContact CZ-CD1 3.68Å; Y58-L170 HydrophobicContact CD1-CB 4.19Å; Y58-L170 HydrophobicContact CD1-CD1 4.41Å; Y58-L170 HydrophobicContact CE1-CB 3.99Å; Y58-L170 HydrophobicContact CG-CD1 4.44Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.19Å; Y58-D171 PolarHBondContact OH-OD1 3.2Å
59	K	67.4	Low	59.3	Low	116 Å²	116	47 Å²	47	50%	0.504	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	-121.8	-169.2	-62	179.2	175.3	174.3	0	110.8	D171	K59-D171 WeakPolarHBondContact CE-OD1 3.23Å; K59-D171 IonicContact NZ-OD1 3.17Å; K59-D171 PolarHBondContact NZ-OD1 3.14Å; K59-D171 IonicContact NZ-OD2 3.58Å; K59-D171 PolarHBondContact NZ-OD2 2.59Å
60	N	59.1	Low	60.2	Low	104 Å²	104	38.7 Å²	38.7	56%	0.556	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	16.7	-179.2	-59.3	-11	0	0	0	112.2	K16 Y58	K16-N60 PolarHBondContact N-O 3.13Å; K16-N60 VanDerWaalsContact N-O 3.13Å; Y58-N60 PolarHBondContact O-N 2.89Å
61	I	60.2	Low	61.1	Low	10 Å²	10	42.1 Å²	42.1	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.7	-174.5	-58.3	172.7	0	0	0	108.5	M18 I20 Y58 F63 A174	M18-I61 HydrophobicContact CB-CG2 3.72Å; M18-I61 HydrophobicContact CG-CG1 4.45Å; M18-I61 HydrophobicContact CG-CG2 3.77Å; I20-I61 HydrophobicContact CD1-CG2 4.3Å; Y58-I61 PolarHBondContact N-O 3.39Å; Y58-I61 PolarHBondContact O-N 3.07Å; Y58-I61 VanDerWaalsContact O-O 3.06Å; I61-F63 HydrophobicContact CB-CD2 4.37Å; I61-F63 HydrophobicContact CB-CE2 3.67Å; I61-F63 HydrophobicContact CB-CZ 4.2Å; I61-F63 HydrophobicContact CG2-CD2 3.95Å; I61-F63 HydrophobicContact CG2-CE2 3.53Å; I61-F63 HydrophobicContact CG2-CZ 3.88Å; I61-F63 WeakPolarHBondContact O-CD2 3.39Å; I61-A174 HydrophobicContact CD1-CB 3.48Å; I61-A174 VanDerWaalsContact CD1-CB 3.48Å
62	S	58.5	Low	61.8	Low	19 Å²	19	44 Å²	44	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.8	169.8	-174	0	0	0	0	108.4	M18 T55	M18-S62 PolarHBondContact N-O 3.19Å; T55-S62 WeakPolarHBondContact CG2-OG 3.34Å
63	F	63.3	Low	62.5	Low	6 Å²	6	51.3 Å²	51.3	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.2	-177.7	-63.9	-110.5	0	0	0	108.7	I20 T55 V56 Y58 I61 V65 L170 L173	I20-F63 HydrophobicContact CB-CD1 3.97Å; I20-F63 HydrophobicContact CD1-CD1 3.19Å; I20-F63 HydrophobicContact CD1-CE1 3.16Å; I20-F63 HydrophobicContact CD1-CG 4.04Å; I20-F63 HydrophobicContact CD1-CZ 3.98Å; I20-F63 HydrophobicContact CG1-CD1 4.14Å; I20-F63 HydrophobicContact CG1-CE1 4.45Å; I20-F63 HydrophobicContact CG2-CD1 4.05Å; T55-F63 CarbonylContact C-O 3.46Å; T55-F63 VanDerWaalsContact CA-O 3.24Å; T55-F63 WeakPolarHBondContact CA-O 3.14Å; V56-F63 HydrophobicContact CB-CB 4.39Å; V56-F63 PolarHBondContact N-O 2.68Å; V56-F63 WeakPolarHBondContact O-CB 3.44Å; V56-F63 WeakPolarHBondContact O-CD2 3.18Å; V56-F63 PolarHBondContact O-N 3.09Å; Y58-F63 HydrophobicContact CD1-CE2 4.19Å; Y58-F63 HydrophobicContact CD1-CZ 4.2Å; Y58-F63 HydrophobicContact CG-CE2 4.33Å; I61-F63 HydrophobicContact CB-CD2 4.37Å; I61-F63 HydrophobicContact CB-CE2 3.67Å; I61-F63 HydrophobicContact CB-CZ 4.2Å; I61-F63 HydrophobicContact CG2-CD2 3.95Å; I61-F63 HydrophobicContact CG2-CE2 3.53Å; I61-F63 HydrophobicContact CG2-CZ 3.88Å; I61-F63 WeakPolarHBondContact O-CD2 3.39Å; F63-V65 HydrophobicContact CB-CG2 4.39Å; F63-V65 PolarHBondContact O-N 3.02Å; F63-L170 HydrophobicContact CD1-CD2 4.36Å; F63-L170 HydrophobicContact CE1-CD2 3.68Å; F63-L170 HydrophobicContact CZ-CD2 4.22Å; F63-L173 HydrophobicContact CE1-CD2 4.46Å
64	T	55.3	Low	63.1	Low	34 Å²	34	50.1 Å²	50.1	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	88.8	169.7	-50.2	0	0	0	0	110.1	I20 V53 E54 W66	I20-T64 CarbonylContact O-C 3.48Å; V53-T64 HydrophobicContact CG1-CG2 3.76Å; E54-T64 CarbonylContact O-C 3.49Å; T64-W66 HydrophobicContact CG2-CZ2 3.96Å; T64-W66 PolarHBondContact O-NE1 3.03Å
65	V	59.4	Low	63.6	Low	2 Å²	2	50.3 Å²	50.3	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.2	176.9	167.4	0	0	0	0	109.7	M22 L34 E54 F63	M22-V65 HydrophobicContact CB-CG1 3.85Å; M22-V65 HydrophobicContact CB-CG2 4.3Å; M22-V65 HydrophobicContact CE-CG1 4.47Å; M22-V65 HydrophobicContact CE-CG2 4.07Å; M22-V65 HydrophobicContact SD-CG1 4.22Å; L34-V65 HydrophobicContact CB-CG1 4.29Å; L34-V65 HydrophobicContact CD1-CB 3.74Å; L34-V65 HydrophobicContact CD1-CG1 3.77Å; L34-V65 HydrophobicContact CD1-CG2 4.14Å; L34-V65 HydrophobicContact CD2-CG1 4.25Å; L34-V65 HydrophobicContact CG-CG1 4.33Å; E54-V65 PolarHBondContact N-O 3.14Å; E54-V65 PolarHBondContact O-N 3.15Å; F63-V65 HydrophobicContact CB-CG2 4.39Å; F63-V65 PolarHBondContact O-N 3.02Å
66	W	58.3	Low	64.5	Low	39 Å²	39	51 Å²	51	15%	0.148	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	95.2	171.7	-53.5	76.4	0	0	0	107.2	R19 L21 N52 V53 T64 V68 Y81	R19-W66 VanDerWaalsContact NH2-CZ2 3.27Å; L21-W66 HydrophobicContact CD1-CB 3.6Å; L21-W66 VanDerWaalsContact CD1-CD1 3.48Å; L21-W66 HydrophobicContact CD1-CG 3.73Å; N52-W66 CarbonylContact O-C 3.57Å; V53-W66 HydrophobicContact CB-CE3 3.9Å; V53-W66 HydrophobicContact CB-CZ3 3.89Å; V53-W66 HydrophobicContact CG1-CD2 3.74Å; V53-W66 HydrophobicContact CG1-CE3 3.48Å; V53-W66 VanDerWaalsContact CG1-CE3 3.48Å; V53-W66 HydrophobicContact CG1-CH2 3.66Å; V53-W66 HydrophobicContact CG1-CZ2 3.9Å; V53-W66 HydrophobicContact CG1-CZ3 3.42Å; V53-W66 VanDerWaalsContact CG1-CZ3 3.42Å; V53-W66 HydrophobicContact CG2-CD2 4.24Å; V53-W66 HydrophobicContact CG2-CE3 3.23Å; V53-W66 HydrophobicContact CG2-CH2 4.19Å; V53-W66 HydrophobicContact CG2-CZ3 3.18Å; T64-W66 HydrophobicContact CG2-CZ2 3.96Å; T64-W66 PolarHBondContact O-NE1 3.03Å; W66-V68 HydrophobicContact CB-CG2 3.98Å; W66-V68 PolarHBondContact O-N 3.29Å; W66-Y81 HydrophobicContact CB-CD2 4.08Å; W66-Y81 HydrophobicContact CB-CE2 4.45Å; W66-Y81 HydrophobicContact CB-CG 4.4Å; W66-Y81 AromaticContact CD2-CD1 3.39Å; W66-Y81 HydrophobicContact CD2-CD1 3.39Å; W66-Y81 AromaticContact CD2-CD2 3.82Å; W66-Y81 HydrophobicContact CD2-CD2 3.82Å; W66-Y81 AromaticContact CD2-CE1 3.76Å; W66-Y81 HydrophobicContact CD2-CE1 3.76Å; W66-Y81 HydrophobicContact CD2-CE2 4.08Å; W66-Y81 AromaticContact CD2-CG 3.42Å; W66-Y81 HydrophobicContact CD2-CG 3.42Å; W66-Y81 VanDerWaalsContact CD2-CG 3.42Å; W66-Y81 AromaticContact CE2-CD1 3.58Å; W66-Y81 AromaticContact CE2-CG 3.86Å; W66-Y81 AromaticContact CE3-CD1 3.18Å; W66-Y81 HydrophobicContact CE3-CD1 3.18Å; W66-Y81 AromaticContact CE3-CD2 3.72Å; W66-Y81 HydrophobicContact CE3-CD2 3.72Å; W66-Y81 AromaticContact CE3-CE1 3Å; W66-Y81 HydrophobicContact CE3-CE1 3Å; W66-Y81 AromaticContact CE3-CE2 3.49Å; W66-Y81 HydrophobicContact CE3-CE2 3.49Å; W66-Y81 VanDerWaalsContact CE3-CE2 3.49Å; W66-Y81 AromaticContact CE3-CG 3.55Å; W66-Y81 HydrophobicContact CE3-CG 3.55Å; W66-Y81 AromaticContact CE3-CZ 3.08Å; W66-Y81 HydrophobicContact CG-CD1 4.26Å; W66-Y81 AromaticContact CG-CD2 3.98Å; W66-Y81 HydrophobicContact CG-CD2 3.98Å; W66-Y81 HydrophobicContact CG-CE2 4.49Å; W66-Y81 AromaticContact CG-CG 3.81Å; W66-Y81 HydrophobicContact CG-CG 3.81Å; W66-Y81 AromaticContact CH2-CD1 3.44Å; W66-Y81 HydrophobicContact CH2-CD1 3.44Å; W66-Y81 VanDerWaalsContact CH2-CD1 3.44Å; W66-Y81 AromaticContact CH2-CE1 3.36Å; W66-Y81 HydrophobicContact CH2-CE1 3.36Å; W66-Y81 HydrophobicContact CH2-CG 4.45Å; W66-Y81 AromaticContact CZ2-CD1 3.62Å; W66-Y81 HydrophobicContact CZ2-CD1 3.62Å; W66-Y81 HydrophobicContact CZ2-CE1 4.05Å; W66-Y81 HydrophobicContact CZ2-CG 4.36Å; W66-Y81 AromaticContact CZ3-CD1 3.23Å; W66-Y81 HydrophobicContact CZ3-CD1 3.23Å; W66-Y81 AromaticContact CZ3-CE1 2.78Å; W66-Y81 HydrophobicContact CZ3-CE1 2.78Å; W66-Y81 HydrophobicContact CZ3-CE2 4.13Å; W66-Y81 HydrophobicContact CZ3-CG 4.09Å; W66-Y81 AromaticContact CZ3-CZ 3.26Å
67	D	59.6	Low	64.8	Low	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	83	168.3	-178.7	27.2	0	0	0	108	K30 T31 N52	K30-D67 VanDerWaalsContact CE-OD1 3.23Å; K30-D67 WeakPolarHBondContact CE-OD1 3.33Å; T31-D67 WeakPolarHBondContact CB-OD2 3.38Å; T31-D67 PolarHBondContact OG1-OD2 3.12Å; N52-D67 HydrophobicContact CB-CB 4.26Å; N52-D67 PolarHBondContact N-O 2.95Å; N52-D67 PolarHBondContact O-N 3.38Å
68	V	59.6	Low	65.5	Low	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.242	C	C	.	.			trans	-85.5	120.7	169.8	-165.3	0	0	0	0	106.9	K30 F51 W66 G70 Y81	K30-V68 WeakPolarHBondContact CE-O 3.47Å; F51-V68 HydrophobicContact CD1-CG1 4.01Å; F51-V68 HydrophobicContact CD1-CG2 4.21Å; F51-V68 HydrophobicContact CE1-CB 4.21Å; F51-V68 HydrophobicContact CE1-CG1 3.26Å; F51-V68 HydrophobicContact CE1-CG2 3.98Å; F51-V68 HydrophobicContact CZ-CG1 3.48Å; F51-V68 VanDerWaalsContact CZ-CG1 3.48Å; W66-V68 HydrophobicContact CB-CG2 3.98Å; W66-V68 PolarHBondContact O-N 3.29Å; V68-G70 PolarHBondContact O-N 2.68Å; V68-Y81 HydrophobicContact CG2-CD2 3.97Å; V68-Y81 HydrophobicContact CG2-CE2 3.86Å
69	G	59.6	Low	66.1	Low	15 Å²	15	53.2 Å²	53.2	16%	0.155	26%	0.261	C	S	.	.			trans	-50.8	140.6	173.8	0	0	0	0	0	109.7	Q71 I74	G69-Q71 VanDerWaalsContact C-N 3.28Å; G69-Q71 PolarHBondContact O-N 2.85Å; G69-I74 WeakPolarHBondContact O-CD1 3.46Å; G69-I74 WeakPolarHBondContact O-CG1 3.36Å
70	G	59.8	Low	66.6	Low	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.			trans	-91	11.8	-174.6	0	0	0	0	0	113.9	D26 V68 R75	D26-G70 VanDerWaalsContact N-CA 3.34Å; V68-G70 PolarHBondContact O-N 2.68Å; G70-R75 PolarHBondContact O-NE 3.05Å; G70-R75 PolarHBondContact O-NH2 3Å
71	Q	67.5	Low	67.5	Low	116 Å²	116	50.4 Å²	50.4	54%	0.542	25%	0.245	S	C	.	.	S	Bend	trans	-67.4	139.9	175.3	-62.5	179.8	10.4	0	0	109.9	D26 G69 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.28Å; G69-Q71 VanDerWaalsContact C-N 3.28Å; G69-Q71 PolarHBondContact O-N 2.85Å; Q71-K73 PolarHBondContact O-N 2.79Å; Q71-I74 HydrophobicContact CB-CD1 4.41Å; Q71-I74 HydrophobicContact CB-CG1 4.16Å; Q71-I74 WeakPolarHBondContact O-CG1 3.46Å; Q71-I74 PolarHBondContact O-N 2.78Å; Q71-R75 PolarHBondContact O-N 2.94Å
72	D	71.3	Confident	68.8	Low	105 Å²	105	50.1 Å²	50.1	56%	0.561	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-45.4	-42.5	-175.1	-59.1	-10.6	0	0	0	113.7	I74 R75	D72-I74 PolarHBondContact O-N 3.03Å; D72-R75 IonicContact OD1-CZ 3.41Å; D72-R75 IonicContact OD1-NE 3.73Å; D72-R75 IonicContact OD1-NH1 2.68Å; D72-R75 PolarHBondContact OD1-NH1 3.44Å; D72-R75 IonicContact OD1-NH2 3.11Å; D72-R75 PolarHBondContact OD1-NH2 3Å
73	K	70.9	Confident	70	Confident	192 Å²	192	54.9 Å²	54.9	84%	0.835	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-65.1	-22	-174.5	-64.2	-175.6	-179.2	178.1	0	114.5	Q71	Q71-K73 PolarHBondContact O-N 2.79Å
74	I	71.6	Confident	71	Confident	38 Å²	38	61.1 Å²	61.1	20%	0.195	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-113.3	-6.8	-173.6	56.2	170.9	0	0	0	113.6	F51 G69 Q71 D72 L77	F51-I74 HydrophobicContact CE2-CB 4.31Å; F51-I74 HydrophobicContact CE2-CG2 4.41Å; F51-I74 HydrophobicContact CZ-CB 4.23Å; G69-I74 WeakPolarHBondContact O-CD1 3.46Å; G69-I74 WeakPolarHBondContact O-CG1 3.36Å; Q71-I74 HydrophobicContact CB-CD1 4.41Å; Q71-I74 HydrophobicContact CB-CG1 4.16Å; Q71-I74 WeakPolarHBondContact O-CG1 3.46Å; Q71-I74 PolarHBondContact O-N 2.78Å; D72-I74 PolarHBondContact O-N 3.03Å; I74-L77 WeakPolarHBondContact O-CB 3.41Å; I74-L77 PolarHBondContact O-N 3.08Å
75	R	73.9	Confident	72.5	Confident	19 Å²	19	59.9 Å²	59.9	7%	0.072	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-56	-36.2	174.5	-59.2	-174.2	-173.6	155	8.7	114.7	G70 Q71 D72 L77 W78 E102 E106	G70-R75 PolarHBondContact O-NE 3.05Å; G70-R75 PolarHBondContact O-NH2 3Å; Q71-R75 PolarHBondContact O-N 2.94Å; D72-R75 IonicContact OD1-CZ 3.41Å; D72-R75 IonicContact OD1-NE 3.73Å; D72-R75 IonicContact OD1-NH1 2.68Å; D72-R75 PolarHBondContact OD1-NH1 3.44Å; D72-R75 IonicContact OD1-NH2 3.11Å; D72-R75 PolarHBondContact OD1-NH2 3Å; R75-L77 PolarHBondContact O-N 2.78Å; R75-W78 HydrophobicContact CB-CD2 4.41Å; R75-W78 HydrophobicContact CG-CH2 4.25Å; R75-W78 HydrophobicContact CG-CZ2 3.97Å; R75-W78 VanDerWaalsContact O-CB 3.28Å; R75-W78 WeakPolarHBondContact O-CB 3.07Å; R75-W78 PolarHBondContact O-N 3.37Å; R75-E102 IonicContact CZ-OE1 2.81Å; R75-E102 IonicContact NH1-OE1 3.76Å; R75-E102 PolarHBondContact NH1-OE1 3.4Å; R75-E102 IonicContact NH2-OE1 3.18Å; R75-E102 PolarHBondContact NH2-OE1 2.97Å; R75-E106 WeakPolarHBondContact CD-OE1 3.25Å; R75-E106 IonicContact CZ-OE1 3.85Å; R75-E106 IonicContact NE-OE1 3.21Å; R75-E106 IonicContact NH1-OE1 2.86Å; R75-E106 PolarHBondContact NH1-OE1 3.43Å
76	P	80	Confident	74	Confident	87 Å²	87	62.2 Å²	62.2	57%	0.565	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.3	178.4	-28.8	37.1	0	0	0	114.2	W78	P76-W78 PolarHBondContact O-N 2.83Å
77	L	72.8	Confident	75.6	Confident	63 Å²	63	60.3 Å²	60.3	33%	0.33	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-76.6	-11	-177.6	-62	168.8	0	0	0	112.6	F51 I74 R75 R79 H80	F51-L77 HydrophobicContact CD2-CD1 4.27Å; F51-L77 HydrophobicContact CE1-CB 3.44Å; F51-L77 VanDerWaalsContact CE1-CB 3.44Å; F51-L77 HydrophobicContact CE1-CD1 4.07Å; F51-L77 HydrophobicContact CE1-CG 4.34Å; F51-L77 HydrophobicContact CE2-CB 4.2Å; F51-L77 HydrophobicContact CE2-CD1 3.17Å; F51-L77 HydrophobicContact CE2-CG 4.25Å; F51-L77 HydrophobicContact CZ-CB 3.2Å; F51-L77 HydrophobicContact CZ-CD1 3.08Å; F51-L77 HydrophobicContact CZ-CG 3.7Å; I74-L77 WeakPolarHBondContact O-CB 3.41Å; I74-L77 PolarHBondContact O-N 3.08Å; R75-L77 PolarHBondContact O-N 2.78Å; L77-R79 PolarHBondContact O-N 3.18Å; L77-H80 PolarHBondContact O-CD2 3.46Å; L77-H80 PolarHBondContact O-N 3.18Å
78	W	79.6	Confident	77.3	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.015	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-56.3	-34.5	174.2	-65.2	3	0	0	0	111.4	V23 R75 P76 H80 Y81 F82 E106 M110	V23-W78 HydrophobicContact CG1-CD2 4.29Å; R75-W78 HydrophobicContact CB-CD2 4.41Å; R75-W78 HydrophobicContact CG-CH2 4.25Å; R75-W78 HydrophobicContact CG-CZ2 3.97Å; R75-W78 VanDerWaalsContact O-CB 3.28Å; R75-W78 WeakPolarHBondContact O-CB 3.07Å; R75-W78 PolarHBondContact O-N 3.37Å; P76-W78 PolarHBondContact O-N 2.83Å; W78-H80 PolarHBondContact O-N 3.38Å; W78-Y81 PolarHBondContact O-N 3.29Å; W78-F82 VanDerWaalsContact C-CE1 3.43Å; W78-F82 HydrophobicContact CB-CE1 3.78Å; W78-F82 HydrophobicContact CB-CZ 3.81Å; W78-F82 WeakPolarHBondContact O-CD1 3.44Å; W78-F82 WeakPolarHBondContact O-CE1 3.28Å; W78-E106 HydrophobicContact CZ3-CB 4.2Å; W78-M110 HydrophobicContact CD2-SD 4.41Å; W78-M110 HydrophobicContact CE3-CE 4.15Å; W78-M110 HydrophobicContact CE3-CG 3.89Å; W78-M110 HydrophobicContact CE3-SD 3.29Å; W78-M110 HydrophobicContact CZ3-CG 4.17Å; W78-M110 HydrophobicContact CZ3-SD 3.42Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.39Å
79	R	80.2	Confident	78.9	Confident	144 Å²	144	60.1 Å²	60.1	54%	0.543	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-60.3	-30.1	-176.6	-56.3	-177.3	86.3	151	0.7	113.2	L77 Y81 F82 E113	L77-R79 PolarHBondContact O-N 3.18Å; R79-Y81 PolarHBondContact O-N 3.48Å; R79-F82 HydrophobicContact CB-CD2 4.21Å; R79-F82 HydrophobicContact CB-CE2 4.03Å; R79-F82 HydrophobicContact CG-CD2 4.29Å; R79-F82 HydrophobicContact CG-CE2 3.66Å; R79-F82 HydrophobicContact CG-CZ 4.18Å; R79-F82 PolarHBondContact O-N 2.75Å; R79-E113 IonicContact CZ-OE1 3.05Å; R79-E113 IonicContact CZ-OE2 3.13Å; R79-E113 IonicContact NE-OE1 3.93Å; R79-E113 IonicContact NE-OE2 2.7Å; R79-E113 PolarHBondContact NE-OE2 2.7Å; R79-E113 IonicContact NH1-OE1 2.89Å; R79-E113 IonicContact NH2-OE1 3.77Å; R79-E113 PolarHBondContact NH2-OE1 3.2Å; R79-E113 IonicContact NH2-OE2 2.73Å; R79-E113 PolarHBondContact NH2-OE2 2.96Å
80	H	78.8	Confident	80.7	Confident	126 Å²	126	59.4 Å²	59.4	58%	0.583	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.8	-14.4	175.6	-61.7	-57.1	0	0	0	113.1	L77 W78	L77-H80 PolarHBondContact O-CD2 3.46Å; L77-H80 PolarHBondContact O-N 3.18Å; W78-H80 PolarHBondContact O-N 3.38Å
81	Y	78	Confident	82.4	Confident	35 Å²	35	59.4 Å²	59.4	14%	0.137	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-108.9	-0.6	-176.8	-49.7	-49.2	0	0	0	114.6	R19 F51 W66 V68 W78 R79 T85	R19-Y81 VanDerWaalsContact CZ-O 3.29Å; R19-Y81 PolarHBondContact NE-O 3.05Å; R19-Y81 VanDerWaalsContact NH2-CA 3.32Å; R19-Y81 PolarHBondContact NH2-O 3.24Å; F51-Y81 AromaticContact CD1-CE2 3.79Å; F51-Y81 HydrophobicContact CD1-CE2 3.79Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.47Å; F51-Y81 AromaticContact CE1-CE2 3.91Å; F51-Y81 HydrophobicContact CE1-CE2 3.91Å; W66-Y81 HydrophobicContact CB-CD2 4.08Å; W66-Y81 HydrophobicContact CB-CE2 4.45Å; W66-Y81 HydrophobicContact CB-CG 4.4Å; W66-Y81 AromaticContact CD2-CD1 3.39Å; W66-Y81 HydrophobicContact CD2-CD1 3.39Å; W66-Y81 AromaticContact CD2-CD2 3.82Å; W66-Y81 HydrophobicContact CD2-CD2 3.82Å; W66-Y81 AromaticContact CD2-CE1 3.76Å; W66-Y81 HydrophobicContact CD2-CE1 3.76Å; W66-Y81 HydrophobicContact CD2-CE2 4.08Å; W66-Y81 AromaticContact CD2-CG 3.42Å; W66-Y81 HydrophobicContact CD2-CG 3.42Å; W66-Y81 VanDerWaalsContact CD2-CG 3.42Å; W66-Y81 AromaticContact CE2-CD1 3.58Å; W66-Y81 AromaticContact CE2-CG 3.86Å; W66-Y81 AromaticContact CE3-CD1 3.18Å; W66-Y81 HydrophobicContact CE3-CD1 3.18Å; W66-Y81 AromaticContact CE3-CD2 3.72Å; W66-Y81 HydrophobicContact CE3-CD2 3.72Å; W66-Y81 AromaticContact CE3-CE1 3Å; W66-Y81 HydrophobicContact CE3-CE1 3Å; W66-Y81 AromaticContact CE3-CE2 3.49Å; W66-Y81 HydrophobicContact CE3-CE2 3.49Å; W66-Y81 VanDerWaalsContact CE3-CE2 3.49Å; W66-Y81 AromaticContact CE3-CG 3.55Å; W66-Y81 HydrophobicContact CE3-CG 3.55Å; W66-Y81 AromaticContact CE3-CZ 3.08Å; W66-Y81 HydrophobicContact CG-CD1 4.26Å; W66-Y81 AromaticContact CG-CD2 3.98Å; W66-Y81 HydrophobicContact CG-CD2 3.98Å; W66-Y81 HydrophobicContact CG-CE2 4.49Å; W66-Y81 AromaticContact CG-CG 3.81Å; W66-Y81 HydrophobicContact CG-CG 3.81Å; W66-Y81 AromaticContact CH2-CD1 3.44Å; W66-Y81 HydrophobicContact CH2-CD1 3.44Å; W66-Y81 VanDerWaalsContact CH2-CD1 3.44Å; W66-Y81 AromaticContact CH2-CE1 3.36Å; W66-Y81 HydrophobicContact CH2-CE1 3.36Å; W66-Y81 HydrophobicContact CH2-CG 4.45Å; W66-Y81 AromaticContact CZ2-CD1 3.62Å; W66-Y81 HydrophobicContact CZ2-CD1 3.62Å; W66-Y81 HydrophobicContact CZ2-CE1 4.05Å; W66-Y81 HydrophobicContact CZ2-CG 4.36Å; W66-Y81 AromaticContact CZ3-CD1 3.23Å; W66-Y81 HydrophobicContact CZ3-CD1 3.23Å; W66-Y81 AromaticContact CZ3-CE1 2.78Å; W66-Y81 HydrophobicContact CZ3-CE1 2.78Å; W66-Y81 HydrophobicContact CZ3-CE2 4.13Å; W66-Y81 HydrophobicContact CZ3-CG 4.09Å; W66-Y81 AromaticContact CZ3-CZ 3.26Å; V68-Y81 HydrophobicContact CG2-CD2 3.97Å; V68-Y81 HydrophobicContact CG2-CE2 3.86Å; W78-Y81 PolarHBondContact O-N 3.29Å; R79-Y81 PolarHBondContact O-N 3.48Å; Y81-T85 PolarHBondContact O-OG1 3.07Å
82	F	86.3	Confident	83.8	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.018	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-36	-175.8	-63.1	-10.2	0	0	0	113.2	L21 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.56Å; L21-F82 HydrophobicContact CD2-CE1 3.67Å; W78-F82 VanDerWaalsContact C-CE1 3.43Å; W78-F82 HydrophobicContact CB-CE1 3.78Å; W78-F82 HydrophobicContact CB-CZ 3.81Å; W78-F82 WeakPolarHBondContact O-CD1 3.44Å; W78-F82 WeakPolarHBondContact O-CE1 3.28Å; R79-F82 HydrophobicContact CB-CD2 4.21Å; R79-F82 HydrophobicContact CB-CE2 4.03Å; R79-F82 HydrophobicContact CG-CD2 4.29Å; R79-F82 HydrophobicContact CG-CE2 3.66Å; R79-F82 HydrophobicContact CG-CZ 4.18Å; R79-F82 PolarHBondContact O-N 2.75Å; F82-N84 PolarHBondContact O-N 3.28Å; F82-T85 WeakPolarHBondContact O-CB 3.38Å; F82-T85 PolarHBondContact O-N 3.1Å; F82-T85 PolarHBondContact O-OG1 3.11Å; F82-M110 HydrophobicContact CD1-CE 4.45Å; F82-M110 HydrophobicContact CE1-CE 3.46Å; F82-M110 VanDerWaalsContact CE1-CE 3.46Å; F82-M110 HydrophobicContact CZ-CE 3.78Å; F82-M110 HydrophobicContact CZ-CG 4.15Å; F82-E113 HydrophobicContact CD2-CB 3.93Å; F82-E113 HydrophobicContact CD2-CG 3.98Å; F82-E113 HydrophobicContact CE2-CB 4.11Å; F82-E113 HydrophobicContact CE2-CG 3.67Å; F82-E115 HydrophobicContact CB-CB 3.67Å; F82-E115 HydrophobicContact CB-CG 4.44Å; F82-L116 HydrophobicContact CB-CD1 4.49Å; F82-L116 HydrophobicContact CB-CD2 3.98Å; F82-L116 HydrophobicContact CB-CG 3.92Å; F82-L116 HydrophobicContact CD1-CD1 3.69Å; F82-L116 HydrophobicContact CD1-CD2 4.15Å; F82-L116 HydrophobicContact CD1-CG 4.05Å; F82-L116 HydrophobicContact CD2-CD1 4.07Å; F82-L116 HydrophobicContact CD2-CG 4.18Å; F82-L116 HydrophobicContact CE1-CD1 3.85Å; F82-L116 HydrophobicContact CE2-CD1 4.21Å; F82-L116 HydrophobicContact CG-CD1 3.83Å; F82-L116 HydrophobicContact CG-CD2 4.15Å; F82-L116 HydrophobicContact CG-CG 3.79Å; F82-L116 HydrophobicContact CZ-CD1 4.11Å
83	Q	84.7	Confident	85.1	Confident	119 Å²	119	50.1 Å²	50.1	56%	0.556	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	135.8	-179.1	-69.5	-175.9	-16.6	0	0	111.6	R19 T85 E115	R19-Q83 WeakPolarHBondContact CD-O 3.31Å; R19-Q83 PolarHBondContact NH1-O 3.37Å; Q83-T85 PolarHBondContact O-N 3.37Å; Q83-E115 HydrophobicContact CG-CG 4.23Å
84	N	83.7	Confident	86.4	Confident	136 Å²	136	41 Å²	41	73%	0.727	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	10.2	-179.8	-53.9	-41.1	0	0	0	115.5	R19 F82 Q86	R19-N84 WeakPolarHBondContact CB-O 3.42Å; F82-N84 PolarHBondContact O-N 3.28Å; N84-Q86 PolarHBondContact O-N 3.4Å
85	T	87.5	Confident	87.7	Confident	8 Å²	8	41.8 Å²	41.8	5%	0.049	20%	0.203	C	C	.	.			trans	-73.4	121.7	176	-73.6	0	0	0	0	109.9	L21 Y81 F82 Q83 G87 L116	L21-T85 HydrophobicContact CB-CG2 3.7Å; Y81-T85 PolarHBondContact O-OG1 3.07Å; F82-T85 WeakPolarHBondContact O-CB 3.38Å; F82-T85 PolarHBondContact O-N 3.1Å; F82-T85 PolarHBondContact O-OG1 3.11Å; Q83-T85 PolarHBondContact O-N 3.37Å; T85-G87 WeakPolarHBondContact CG2-O 3.41Å; T85-L116 HydrophobicContact CG2-CD2 3.85Å
86	Q	90.9	Very high	88.8	Confident	51 Å²	51	42.3 Å²	42.3	24%	0.238	21%	0.208	C	C	.	.			trans	-97.7	-28.6	-175.9	-61.9	173.5	-102.8	0	0	112.2	M18 R19 N84 A119 V120 L177	M18-Q86 PolarHBondContact SD-NE2 3.43Å; R19-Q86 PolarHBondContact O-N 2.99Å; N84-Q86 PolarHBondContact O-N 3.4Å; Q86-A119 WeakPolarHBondContact O-CA 3.22Å; Q86-V120 PolarHBondContact O-N 2.75Å; Q86-L177 HydrophobicContact CB-CD2 4.02Å; Q86-L177 VanDerWaalsContact O-CD2 3.22Å; Q86-L177 WeakPolarHBondContact O-CD2 3.06Å
87	G	92.3	Very high	89.6	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.1	175.6	0	0	0	0	0	111.1	R19 I20 L21 T85 V120	R19-G87 PolarHBondContact O-N 3.04Å; I20-G87 CarbonylContact C-O 3.55Å; I20-G87 VanDerWaalsContact CA-O 3.26Å; I20-G87 WeakPolarHBondContact CA-O 3.45Å; L21-G87 PolarHBondContact N-O 2.87Å; T85-G87 WeakPolarHBondContact CG2-O 3.41Å; G87-V120 CarbonylContact C-O 3.56Å; G87-V120 WeakPolarHBondContact CA-O 3.31Å
88	L	93.4	Very high	90.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.3	176.9	178.6	64.8	0	0	0	108.1	L21 V23 M110 L111 L116 A119 V120 L121 L122	L21-L88 HydrophobicContact CB-CD1 4.09Å; L21-L88 HydrophobicContact CD2-CD1 4.15Å; L21-L88 HydrophobicContact CG-CD1 4.06Å; L21-L88 CarbonylContact O-C 3.55Å; L21-L88 WeakPolarHBondContact O-CA 2.95Å; V23-L88 HydrophobicContact CG2-CD1 3.52Å; L88-M110 HydrophobicContact CD1-CE 3.84Å; L88-M110 HydrophobicContact CD2-CE 4.4Å; L88-L111 HydrophobicContact CD2-CD2 3.69Å; L88-L116 HydrophobicContact CD2-CD1 4.49Å; L88-A119 HydrophobicContact CB-CB 4.43Å; L88-V120 PolarHBondContact N-O 3.45Å; L88-L121 HydrophobicContact CB-CD1 4.41Å; L88-L121 HydrophobicContact CD2-CD1 4Å; L88-L121 HydrophobicContact CG-CD1 4.12Å; L88-L121 CarbonylContact O-C 3.56Å; L88-L121 WeakPolarHBondContact O-CA 3.24Å; L88-L122 PolarHBondContact O-N 2.87Å
89	I	95	Very high	91.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114	169.8	-56.7	178.4	0	0	0	107.5	I20 L21 M22 V23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CD1 3.8Å; I20-I89 HydrophobicContact CG2-CG1 3.8Å; L21-I89 PolarHBondContact O-N 2.88Å; M22-I89 CarbonylContact C-O 3.53Å; M22-I89 VanDerWaalsContact CA-O 3.25Å; M22-I89 WeakPolarHBondContact CA-O 3.29Å; M22-I89 HydrophobicContact CB-CB 4.1Å; M22-I89 HydrophobicContact CE-CD1 3.98Å; M22-I89 HydrophobicContact CE-CG2 4.25Å; M22-I89 HydrophobicContact CG-CB 4.01Å; M22-I89 HydrophobicContact CG-CG2 3.98Å; V23-I89 PolarHBondContact N-O 3.06Å; I89-V91 HydrophobicContact CG2-CG2 4.18Å; I89-L122 CarbonylContact C-O 3.53Å; I89-L122 VanDerWaalsContact CA-O 3.25Å; I89-L122 WeakPolarHBondContact CA-O 3.18Å; I89-L122 HydrophobicContact CD1-CD2 4.39Å; I89-L122 HydrophobicContact CG1-CB 4.33Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; I89-F124 HydrophobicContact CD1-CE2 4.45Å; I89-F124 HydrophobicContact CG2-CD2 3.38Å; I89-F124 HydrophobicContact CG2-CE2 3.64Å; I89-F124 HydrophobicContact CG2-CG 4.3Å; I89-L170 HydrophobicContact CD1-CD2 3.82Å; I89-L173 HydrophobicContact CD1-CD2 4Å; I89-L173 HydrophobicContact CG1-CD2 3.84Å
90	F	96	Very high	92.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.4	175.4	-163.8	-94.7	0	0	0	109.8	V23 V92 A103 L107 M110 L121 L122 V123 F124	V23-F90 HydrophobicContact CG2-CD2 3.95Å; V23-F90 CarbonylContact O-C 3.58Å; V23-F90 WeakPolarHBondContact O-CA 3.49Å; F90-V92 HydrophobicContact CD1-CG2 3.67Å; F90-V92 HydrophobicContact CE1-CG2 3.72Å; F90-A103 HydrophobicContact CE1-CB 4.16Å; F90-A103 HydrophobicContact CZ-CB 4.37Å; F90-A103 WeakPolarHBondContact CZ-O 3.43Å; F90-L107 HydrophobicContact CB-CD1 4.08Å; F90-L107 HydrophobicContact CD1-CB 4.36Å; F90-L107 HydrophobicContact CD1-CD1 4.34Å; F90-L107 HydrophobicContact CD1-CD2 4.37Å; F90-L107 HydrophobicContact CD2-CB 4.23Å; F90-L107 HydrophobicContact CD2-CD1 3.76Å; F90-L107 HydrophobicContact CE1-CB 4.03Å; F90-L107 HydrophobicContact CE2-CB 3.9Å; F90-L107 HydrophobicContact CE2-CD1 4.28Å; F90-L107 HydrophobicContact CG-CB 4.46Å; F90-L107 HydrophobicContact CG-CD1 3.81Å; F90-L107 HydrophobicContact CZ-CB 3.8Å; F90-M110 HydrophobicContact CE2-SD 4.42Å; F90-L121 HydrophobicContact CB-CD1 4.07Å; F90-L122 PolarHBondContact N-O 3.33Å; F90-V123 HydrophobicContact CB-CG2 4.49Å; F90-V123 CarbonylContact O-C 3.36Å; F90-V123 VanDerWaalsContact O-CA 3.3Å; F90-V123 WeakPolarHBondContact O-CA 3.4Å; F90-F124 PolarHBondContact O-N 3.4Å
91	V	96.1	Very high	93.2	Very high	1 Å²	1	43 Å²	43	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.2	-176.5	-169.7	0	0	0	0	109.6	M22 V23 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.76Å; M22-V91 HydrophobicContact SD-CG2 4.03Å; V23-V91 PolarHBondContact O-N 2.92Å; A28-V91 HydrophobicContact CB-CB 4.31Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 WeakPolarHBondContact CB-O 3.41Å; A28-V91 WeakPolarHBondContact O-CG1 3.3Å; K30-V91 HydrophobicContact CG-CB 3.94Å; K30-V91 HydrophobicContact CG-CG2 3.89Å; I33-V91 HydrophobicContact CD1-CG1 3.79Å; I33-V91 HydrophobicContact CD1-CG2 3.97Å; I89-V91 HydrophobicContact CG2-CG2 4.18Å; V91-F124 HydrophobicContact CG1-CB 4.38Å; V91-F124 HydrophobicContact CG2-CB 4.47Å; V91-F124 HydrophobicContact CG2-CD2 4.39Å; V91-N126 HydrophobicContact CG1-CB 3.89Å
92	V	97.8	Very high	94	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.2	178.6	-178.1	0	0	0	0	109.6	F90 S94 V123 F124 N126 I139 L143	F90-V92 HydrophobicContact CD1-CG2 3.67Å; F90-V92 HydrophobicContact CE1-CG2 3.72Å; V92-S94 PolarHBondContact O-N 3.24Å; V92-V123 HydrophobicContact CG2-CG1 4.25Å; V92-F124 PolarHBondContact N-O 3.04Å; V92-N126 WeakPolarHBondContact O-CB 3.33Å; V92-N126 PolarHBondContact O-N 3.2Å; V92-I139 HydrophobicContact CG1-CD1 4.19Å; V92-I139 HydrophobicContact CG1-CG2 4.47Å; V92-L143 HydrophobicContact CG2-CD1 4Å; V92-L143 HydrophobicContact CG2-CD2 4.47Å
93	D	97.4	Very high	94.4	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.112	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	108.4	164.6	-172.9	-19.8	0	0	0	108.8	N95 D96 K127	D93-N95 PolarHBondContact O-N 3.3Å; D93-N95 WeakPolarHBondContact OD1-CA 3.3Å; D93-N95 WeakPolarHBondContact OD1-CB 3.25Å; D93-N95 PolarHBondContact OD1-N 3.23Å; D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 2.8Å; D93-D96 PolarHBondContact OD1-N 2.88Å; D93-K127 WeakPolarHBondContact OD1-CD 3.42Å; D93-K127 IonicContact OD1-NZ 2.67Å; D93-K127 VanDerWaalsContact OD2-CE 3.27Å; D93-K127 WeakPolarHBondContact OD2-CE 2.95Å; D93-K127 IonicContact OD2-NZ 3.28Å; D93-K127 PolarHBondContact OD2-NZ 3.36Å
94	S	98.6	Very high	95	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.5	-178.4	-51.8	0	0	0	0	112.6	V92 A125 N126 Q128 A133 M134 I139	V92-S94 PolarHBondContact O-N 3.24Å; S94-A125 PolarHBondContact OG-O 2.93Å; S94-N126 WeakPolarHBondContact CB-O 3.25Å; S94-N126 PolarHBondContact N-O 2.99Å; S94-N126 PolarHBondContact OG-N 2.67Å; S94-N126 PolarHBondContact OG-O 3Å; S94-Q128 PolarHBondContact OG-NE2 2.88Å; S94-A133 CarbonylContact O-C 3.53Å; S94-A133 WeakPolarHBondContact O-CA 3.43Å; S94-M134 WeakPolarHBondContact CB-O 3.34Å; S94-M134 WeakPolarHBondContact O-CB 3.36Å; S94-M134 WeakPolarHBondContact O-CE 3.27Å; S94-M134 WeakPolarHBondContact O-CG 3.47Å; S94-M134 PolarHBondContact O-N 2.66Å; S94-I139 VanDerWaalsContact OG-CD1 3.27Å; S94-I139 WeakPolarHBondContact OG-CD1 3.3Å
95	N	98.1	Very high	95.6	Very high	54 Å²	54	41.7 Å²	41.7	29%	0.289	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.8	179.2	-163.8	75	0	0	0	112.1	D93 R97 L130 N132	D93-N95 PolarHBondContact O-N 3.3Å; D93-N95 WeakPolarHBondContact OD1-CA 3.3Å; D93-N95 WeakPolarHBondContact OD1-CB 3.25Å; D93-N95 PolarHBondContact OD1-N 3.23Å; N95-R97 PolarHBondContact O-N 2.74Å; N95-R97 VanDerWaalsContact O-N 3.17Å; N95-L130 HydrophobicContact CB-CB 3.99Å; N95-L130 HydrophobicContact CB-CD1 3.53Å; N95-L130 HydrophobicContact CB-CG 4.4Å; N95-N132 WeakPolarHBondContact OD1-CB 3.48Å; N95-N132 PolarHBondContact OD1-N 3.11Å
96	D	97.3	Very high	95.8	Very high	31 Å²	31	42.1 Å²	42.1	17%	0.166	19%	0.192	C	C	.	.			trans	-87.6	77.5	177.2	-162.8	-28.6	0	0	0	111.7	D93 E98 R99 V100	D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 2.8Å; D93-D96 PolarHBondContact OD1-N 2.88Å; D96-E98 PolarHBondContact O-N 3.44Å; D96-E98 PolarHBondContact OD1-N 3.24Å; D96-R99 WeakPolarHBondContact OD1-CB 3.47Å; D96-R99 PolarHBondContact OD1-N 3.14Å; D96-R99 IonicContact OD1-NE 3.01Å; D96-R99 IonicContact OD2-CZ 3.18Å; D96-R99 IonicContact OD2-NE 2.84Å; D96-R99 PolarHBondContact OD2-NE 2.86Å; D96-R99 IonicContact OD2-NH2 2.65Å; D96-R99 PolarHBondContact OD2-NH2 2.8Å; D96-V100 PolarHBondContact O-N 2.9Å
97	R	97.5	Very high	96.1	Very high	102 Å²	102	39.7 Å²	39.7	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22	-179.4	-68.6	174.7	167.9	-83.3	-8.8	113.2	N95 V100 N132 M134 E138	N95-R97 PolarHBondContact O-N 2.74Å; N95-R97 VanDerWaalsContact O-N 3.17Å; R97-V100 WeakPolarHBondContact O-CG1 3.31Å; R97-N132 PolarHBondContact NE-O 3.13Å; R97-N132 PolarHBondContact NH2-O 3.11Å; R97-M134 HydrophobicContact CG-CE 4.3Å; R97-M134 HydrophobicContact CG-CG 3.86Å; R97-M134 HydrophobicContact CG-SD 3.91Å; R97-M134 VanDerWaalsContact CZ-CG 3.48Å; R97-E138 IonicContact CZ-OE1 3.05Å; R97-E138 IonicContact CZ-OE2 3.05Å; R97-E138 IonicContact NH1-OE1 2.63Å; R97-E138 PolarHBondContact NH1-OE1 3.14Å; R97-E138 IonicContact NH1-OE2 3.89Å; R97-E138 PolarHBondContact NH1-OE2 3.19Å; R97-E138 IonicContact NH2-OE1 2.64Å; R97-E138 IonicContact NH2-OE2 3.94Å; R97-E138 PolarHBondContact NH2-OE2 2.9Å
98	E	96.8	Very high	96.2	Very high	180 Å²	180	42.1 Å²	42.1	84%	0.841	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-42.7	-177.6	-64.3	-177.3	178.1	0	0	111.3	D96	D96-E98 PolarHBondContact O-N 3.44Å; D96-E98 PolarHBondContact OD1-N 3.24Å
99	R	95.4	Very high	96.2	Very high	64 Å²	64	48.6 Å²	48.6	24%	0.242	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	3.6	-176.2	-61.9	-170	-66.3	160.2	2.5	114.8	L25 D26 D96 N101 E102 A103	L25-R99 HydrophobicContact CD1-CB 3.81Å; L25-R99 WeakPolarHBondContact CD1-O 3.41Å; D26-R99 VanDerWaalsContact CG-NH1 3.33Å; D26-R99 PolarHBondContact O-NH2 3.13Å; D26-R99 IonicContact OD1-NH1 3.62Å; D26-R99 PolarHBondContact OD1-NH1 3.42Å; D26-R99 IonicContact OD2-CZ 2.7Å; D26-R99 IonicContact OD2-NH1 2.95Å; D26-R99 PolarHBondContact OD2-NH1 2.89Å; D26-R99 IonicContact OD2-NH2 3.72Å; D96-R99 WeakPolarHBondContact OD1-CB 3.47Å; D96-R99 PolarHBondContact OD1-N 3.14Å; D96-R99 IonicContact OD1-NE 3.01Å; D96-R99 IonicContact OD2-CZ 3.18Å; D96-R99 IonicContact OD2-NE 2.84Å; D96-R99 PolarHBondContact OD2-NE 2.86Å; D96-R99 IonicContact OD2-NH2 2.65Å; D96-R99 PolarHBondContact OD2-NH2 2.8Å; R99-N101 VanDerWaalsContact C-N 3.25Å; R99-N101 PolarHBondContact O-N 2.93Å; R99-E102 WeakPolarHBondContact O-CB 3.37Å; R99-E102 PolarHBondContact O-N 2.78Å; R99-E102 VanDerWaalsContact O-N 3.11Å; R99-A103 PolarHBondContact O-N 3.07Å
100	V	97.1	Very high	96.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-32.2	177.7	69.3	0	0	0	0	113.6	D96 R97 A103 R104 M134 K142	D96-V100 PolarHBondContact O-N 2.9Å; R97-V100 WeakPolarHBondContact O-CG1 3.31Å; V100-A103 WeakPolarHBondContact O-CB 3.21Å; V100-A103 PolarHBondContact O-N 2.87Å; V100-R104 PolarHBondContact O-N 2.76Å; V100-M134 HydrophobicContact CB-CE 3.79Å; V100-M134 HydrophobicContact CB-SD 4.36Å; V100-M134 HydrophobicContact CG1-CE 4.36Å; V100-M134 HydrophobicContact CG1-SD 4.34Å; V100-M134 HydrophobicContact CG2-CE 3.73Å; V100-M134 HydrophobicContact CG2-SD 4.22Å; V100-K142 HydrophobicContact CB-CD 4.47Å; V100-K142 HydrophobicContact CG1-CB 4.5Å; V100-K142 HydrophobicContact CG1-CD 3.76Å; V100-K142 HydrophobicContact CG2-CB 3.87Å; V100-K142 HydrophobicContact CG2-CD 4Å
101	N	96.5	Very high	96	Very high	90 Å²	90	49.7 Å²	49.7	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-70.7	-38.1	175.2	-69.1	-31.8	0	0	0	111.5	R99 A103 R104 E105	R99-N101 VanDerWaalsContact C-N 3.25Å; R99-N101 PolarHBondContact O-N 2.93Å; N101-A103 VanDerWaalsContact C-N 3.34Å; N101-R104 WeakPolarHBondContact O-CB 3.23Å; N101-R104 PolarHBondContact O-N 3.03Å; N101-E105 PolarHBondContact O-N 3.35Å
102	E	95.2	Very high	95.9	Very high	52 Å²	52	53.3 Å²	53.3	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-42.7	172.1	-178.8	-175.7	-175.2	0	0	110.8	L25 R75 R99 R104 E105 E106	L25-E102 HydrophobicContact CD1-CB 4.21Å; L25-E102 HydrophobicContact CD1-CG 4.15Å; L25-E102 HydrophobicContact CD2-CG 4.3Å; R75-E102 IonicContact CZ-OE1 2.81Å; R75-E102 IonicContact NH1-OE1 3.76Å; R75-E102 PolarHBondContact NH1-OE1 3.4Å; R75-E102 IonicContact NH2-OE1 3.18Å; R75-E102 PolarHBondContact NH2-OE1 2.97Å; R99-E102 WeakPolarHBondContact O-CB 3.37Å; R99-E102 PolarHBondContact O-N 2.78Å; R99-E102 VanDerWaalsContact O-N 3.11Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.38Å; E102-E105 PolarHBondContact O-N 3.38Å; E102-E105 VanDerWaalsContact O-N 3.13Å; E102-E106 PolarHBondContact O-N 2.81Å
103	A	95.4	Very high	95.7	Very high	3 Å²	3	54.9 Å²	54.9	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-39.9	175	0	0	0	0	0	111.7	L25 F90 R99 V100 N101 L107 L143	L25-A103 HydrophobicContact CD1-CB 3.82Å; L25-A103 HydrophobicContact CG-CB 3.93Å; F90-A103 HydrophobicContact CE1-CB 4.16Å; F90-A103 HydrophobicContact CZ-CB 4.37Å; F90-A103 WeakPolarHBondContact CZ-O 3.43Å; R99-A103 PolarHBondContact O-N 3.07Å; V100-A103 WeakPolarHBondContact O-CB 3.21Å; V100-A103 PolarHBondContact O-N 2.87Å; N101-A103 VanDerWaalsContact C-N 3.34Å; A103-L107 WeakPolarHBondContact O-CB 3.39Å; A103-L107 PolarHBondContact O-N 3.06Å; A103-L143 HydrophobicContact CB-CD2 4.42Å
104	R	97.6	Very high	95.5	Very high	109 Å²	109	59 Å²	59	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-49.3	172.1	175.6	-164.2	179.8	156.4	-7.4	111.3	V100 N101 E102 E106 L107 M108 K142 L143	V100-R104 PolarHBondContact O-N 2.76Å; N101-R104 WeakPolarHBondContact O-CB 3.23Å; N101-R104 PolarHBondContact O-N 3.03Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.38Å; R104-E106 VanDerWaalsContact C-N 3.33Å; R104-E106 PolarHBondContact O-N 2.61Å; R104-L107 PolarHBondContact O-N 3.22Å; R104-M108 HydrophobicContact CG-CG 4.24Å; R104-M108 WeakPolarHBondContact O-CB 3.08Å; R104-M108 VanDerWaalsContact O-CG 3.25Å; R104-M108 WeakPolarHBondContact O-CG 3.22Å; R104-M108 PolarHBondContact O-N 3.34Å; R104-K142 VanDerWaalsContact CD-O 3.3Å; R104-K142 WeakPolarHBondContact CD-O 3.36Å; R104-L143 HydrophobicContact CB-CD2 4.02Å
105	E	95.6	Very high	95.3	Very high	103 Å²	103	63.1 Å²	63.1	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-45.9	-179	-73.7	-175.9	-158.4	0	0	111.5	N101 E102 M108 R109	N101-E105 PolarHBondContact O-N 3.35Å; E102-E105 PolarHBondContact O-N 3.38Å; E102-E105 VanDerWaalsContact O-N 3.13Å; E105-M108 PolarHBondContact O-N 3.24Å; E105-R109 WeakPolarHBondContact O-CB 3.36Å; E105-R109 VanDerWaalsContact O-CG 3.24Å; E105-R109 WeakPolarHBondContact O-CG 3.3Å; E105-R109 PolarHBondContact O-N 2.84Å; E105-R109 IonicContact OE2-NH2 3.8Å; E105-R109 PolarHBondContact OE2-NH2 3.24Å
106	E	92.5	Very high	95.1	Very high	17 Å²	17	60.6 Å²	60.6	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-44.1	177.7	-67.5	-56.5	156.6	0	0	112	L25 R75 W78 E102 R104 M108 R109 M110	L25-E106 HydrophobicContact CD2-CG 4.12Å; R75-E106 WeakPolarHBondContact CD-OE1 3.25Å; R75-E106 IonicContact CZ-OE1 3.85Å; R75-E106 IonicContact NE-OE1 3.21Å; R75-E106 IonicContact NH1-OE1 2.86Å; R75-E106 PolarHBondContact NH1-OE1 3.43Å; W78-E106 HydrophobicContact CZ3-CB 4.2Å; E102-E106 PolarHBondContact O-N 2.81Å; R104-E106 VanDerWaalsContact C-N 3.33Å; R104-E106 PolarHBondContact O-N 2.61Å; E106-M108 PolarHBondContact O-N 2.61Å; E106-R109 PolarHBondContact O-N 3.35Å; E106-R109 IonicContact OE1-CZ 3.78Å; E106-R109 IonicContact OE1-NH1 3.61Å; E106-R109 PolarHBondContact OE1-NH1 3.36Å; E106-M110 VanDerWaalsContact O-CG 3.27Å; E106-M110 WeakPolarHBondContact O-CG 3.49Å; E106-M110 PolarHBondContact O-N 3.27Å
107	L	95.5	Very high	94.8	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.2	-51.6	173.7	177.2	60.9	0	0	0	110.5	F90 A103 R104 R109 M110 L111 L121 L143 L145	F90-L107 HydrophobicContact CB-CD1 4.08Å; F90-L107 HydrophobicContact CD1-CB 4.36Å; F90-L107 HydrophobicContact CD1-CD1 4.34Å; F90-L107 HydrophobicContact CD1-CD2 4.37Å; F90-L107 HydrophobicContact CD2-CB 4.23Å; F90-L107 HydrophobicContact CD2-CD1 3.76Å; F90-L107 HydrophobicContact CE1-CB 4.03Å; F90-L107 HydrophobicContact CE2-CB 3.9Å; F90-L107 HydrophobicContact CE2-CD1 4.28Å; F90-L107 HydrophobicContact CG-CB 4.46Å; F90-L107 HydrophobicContact CG-CD1 3.81Å; F90-L107 HydrophobicContact CZ-CB 3.8Å; A103-L107 WeakPolarHBondContact O-CB 3.39Å; A103-L107 PolarHBondContact O-N 3.06Å; R104-L107 PolarHBondContact O-N 3.22Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-R109 PolarHBondContact O-N 2.94Å; L107-M110 WeakPolarHBondContact O-CB 3.26Å; L107-M110 PolarHBondContact O-N 2.92Å; L107-M110 VanDerWaalsContact O-N 3.16Å; L107-L111 HydrophobicContact CD1-CD1 3.81Å; L107-L111 HydrophobicContact CD1-CD2 4.02Å; L107-L111 HydrophobicContact CD1-CG 3.81Å; L107-L111 HydrophobicContact CD2-CD1 4.48Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.19Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 2.93Å; L107-L121 HydrophobicContact CD1-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD2 4.29Å; L107-L143 HydrophobicContact CD2-CB 4.42Å; L107-L143 HydrophobicContact CD2-CD1 4.21Å; L107-L145 HydrophobicContact CD2-CD2 3.86Å
108	M	96.1	Very high	94.6	Very high	52 Å²	52	66.7 Å²	66.7	26%	0.256	32%	0.317	S	S	.	.	H	α-helix	trans	-63.4	-39.1	-177.8	-67.8	-64.3	169.9	0	0	112.5	R104 E105 E106 M110 L111 A112 L143 L148	R104-M108 HydrophobicContact CG-CG 4.24Å; R104-M108 WeakPolarHBondContact O-CB 3.08Å; R104-M108 VanDerWaalsContact O-CG 3.25Å; R104-M108 WeakPolarHBondContact O-CG 3.22Å; R104-M108 PolarHBondContact O-N 3.34Å; E105-M108 PolarHBondContact O-N 3.24Å; E106-M108 PolarHBondContact O-N 2.61Å; M108-M110 VanDerWaalsContact C-N 3.35Å; M108-L111 PolarHBondContact O-N 3.43Å; M108-A112 PolarHBondContact O-N 2.86Å; M108-A112 VanDerWaalsContact O-N 3.15Å; M108-L143 WeakPolarHBondContact CE-O 3.1Å; M108-L148 HydrophobicContact CE-CD2 4.33Å; M108-L148 HydrophobicContact SD-CD2 4.25Å
109	R	93.3	Very high	94.4	Very high	136 Å²	136	58.2 Å²	58.2	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-45.7	173.2	-74.1	172.4	-165.3	176.8	6.7	111.1	E105 E106 L107 A112	E105-R109 WeakPolarHBondContact O-CB 3.36Å; E105-R109 VanDerWaalsContact O-CG 3.24Å; E105-R109 WeakPolarHBondContact O-CG 3.3Å; E105-R109 PolarHBondContact O-N 2.84Å; E105-R109 IonicContact OE2-NH2 3.8Å; E105-R109 PolarHBondContact OE2-NH2 3.24Å; E106-R109 PolarHBondContact O-N 3.35Å; E106-R109 IonicContact OE1-CZ 3.78Å; E106-R109 IonicContact OE1-NH1 3.61Å; E106-R109 PolarHBondContact OE1-NH1 3.36Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-R109 PolarHBondContact O-N 2.94Å; R109-A112 PolarHBondContact O-N 3.25Å
110	M	91.7	Very high	94.4	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-44.6	177	-68.3	-175.2	69	0	0	112.7	L21 V23 W78 F82 L88 F90 E106 L107 M108 A112 E113 L116	L21-M110 HydrophobicContact CD2-CE 4.07Å; V23-M110 HydrophobicContact CB-CE 4.35Å; V23-M110 HydrophobicContact CB-SD 4.36Å; V23-M110 HydrophobicContact CG1-CE 4.33Å; V23-M110 HydrophobicContact CG2-CE 3.59Å; V23-M110 HydrophobicContact CG2-SD 3.71Å; W78-M110 HydrophobicContact CD2-SD 4.41Å; W78-M110 HydrophobicContact CE3-CE 4.15Å; W78-M110 HydrophobicContact CE3-CG 3.89Å; W78-M110 HydrophobicContact CE3-SD 3.29Å; W78-M110 HydrophobicContact CZ3-CG 4.17Å; W78-M110 HydrophobicContact CZ3-SD 3.42Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.39Å; F82-M110 HydrophobicContact CD1-CE 4.45Å; F82-M110 HydrophobicContact CE1-CE 3.46Å; F82-M110 VanDerWaalsContact CE1-CE 3.46Å; F82-M110 HydrophobicContact CZ-CE 3.78Å; F82-M110 HydrophobicContact CZ-CG 4.15Å; L88-M110 HydrophobicContact CD1-CE 3.84Å; L88-M110 HydrophobicContact CD2-CE 4.4Å; F90-M110 HydrophobicContact CE2-SD 4.42Å; E106-M110 VanDerWaalsContact O-CG 3.27Å; E106-M110 WeakPolarHBondContact O-CG 3.49Å; E106-M110 PolarHBondContact O-N 3.27Å; L107-M110 WeakPolarHBondContact O-CB 3.26Å; L107-M110 PolarHBondContact O-N 2.92Å; L107-M110 VanDerWaalsContact O-N 3.16Å; M108-M110 VanDerWaalsContact C-N 3.35Å; M110-A112 PolarHBondContact O-N 2.77Å; M110-E113 WeakPolarHBondContact O-CB 3.13Å; M110-E113 PolarHBondContact O-N 2.8Å; M110-E113 VanDerWaalsContact O-N 3.1Å; M110-L116 HydrophobicContact CB-CD1 4.17Å; M110-L116 HydrophobicContact CE-CD1 3.93Å; M110-L116 WeakPolarHBondContact O-CD1 3.08Å
111	L	94.3	Very high	94.5	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-14.8	-177.5	-60.7	-180	0	0	0	113	L88 L107 M108 E113 L121 L148 R151	L88-L111 HydrophobicContact CD2-CD2 3.69Å; L107-L111 HydrophobicContact CD1-CD1 3.81Å; L107-L111 HydrophobicContact CD1-CD2 4.02Å; L107-L111 HydrophobicContact CD1-CG 3.81Å; L107-L111 HydrophobicContact CD2-CD1 4.48Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.19Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 2.93Å; M108-L111 PolarHBondContact O-N 3.43Å; L111-E113 VanDerWaalsContact C-N 3.33Å; L111-L121 HydrophobicContact CD1-CD2 4.03Å; L111-L121 HydrophobicContact CD2-CD2 4.34Å; L111-L148 HydrophobicContact CD1-CD1 3.66Å; L111-L148 HydrophobicContact CD1-CD2 3.71Å; L111-L148 HydrophobicContact CD1-CG 4.36Å; L111-R151 VanDerWaalsContact CD2-CZ 3.41Å; L111-R151 PolarHBondContact O-NH2 3.4Å
112	A	94.4	Very high	94.5	Very high	77 Å²	77	51 Å²	51	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.8	173.8	0	0	0	0	0	113.7	M108 R109 M110	M108-A112 PolarHBondContact O-N 2.86Å; M108-A112 VanDerWaalsContact O-N 3.15Å; R109-A112 PolarHBondContact O-N 3.25Å; M110-A112 PolarHBondContact O-N 2.77Å
113	E	94.1	Very high	94.7	Very high	37 Å²	37	48.6 Å²	48.6	17%	0.173	23%	0.232	C	C	.	.	S	Bend	trans	-79.4	133.1	-179.2	-60.3	-82.8	142.4	0	0	110.6	R79 F82 M110 L111 E115 L116 R117	R79-E113 IonicContact CZ-OE1 3.05Å; R79-E113 IonicContact CZ-OE2 3.13Å; R79-E113 IonicContact NE-OE1 3.93Å; R79-E113 IonicContact NE-OE2 2.7Å; R79-E113 PolarHBondContact NE-OE2 2.7Å; R79-E113 IonicContact NH1-OE1 2.89Å; R79-E113 IonicContact NH2-OE1 3.77Å; R79-E113 PolarHBondContact NH2-OE1 3.2Å; R79-E113 IonicContact NH2-OE2 2.73Å; R79-E113 PolarHBondContact NH2-OE2 2.96Å; F82-E113 HydrophobicContact CD2-CB 3.93Å; F82-E113 HydrophobicContact CD2-CG 3.98Å; F82-E113 HydrophobicContact CE2-CB 4.11Å; F82-E113 HydrophobicContact CE2-CG 3.67Å; M110-E113 WeakPolarHBondContact O-CB 3.13Å; M110-E113 PolarHBondContact O-N 2.8Å; M110-E113 VanDerWaalsContact O-N 3.1Å; L111-E113 VanDerWaalsContact C-N 3.33Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 2.98Å; E113-L116 PolarHBondContact O-N 3.29Å; E113-R117 PolarHBondContact O-N 2.94Å
114	D	93.1	Very high	94.9	Very high	109 Å²	109	48.4 Å²	48.4	58%	0.583	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-62.2	-36.2	-173.5	-80.5	-24.1	0	0	0	112.3	L116 R117	D114-L116 PolarHBondContact O-N 3.42Å; D114-R117 WeakPolarHBondContact O-CB 3.27Å; D114-R117 PolarHBondContact O-N 2.88Å; D114-R117 VanDerWaalsContact O-N 3.11Å; D114-R117 IonicContact OD1-CZ 3.74Å; D114-R117 IonicContact OD1-NE 3.68Å; D114-R117 IonicContact OD1-NH2 3.55Å; D114-R117 PolarHBondContact OD1-NH2 3.36Å; D114-R117 IonicContact OD2-NH2 3.67Å
115	E	93.6	Very high	94.9	Very high	86 Å²	86	43.2 Å²	43.2	40%	0.402	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-63	-24.6	176.8	-61.5	94	147	0	0	112.9	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.67Å; F82-E115 HydrophobicContact CB-CG 4.44Å; Q83-E115 HydrophobicContact CG-CG 4.23Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 2.98Å
116	L	93.4	Very high	95.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-101.2	0.4	177.5	-65.8	-176.1	0	0	0	113.1	F82 T85 L88 M110 E113 D114 D118 A119 R151	F82-L116 HydrophobicContact CB-CD1 4.49Å; F82-L116 HydrophobicContact CB-CD2 3.98Å; F82-L116 HydrophobicContact CB-CG 3.92Å; F82-L116 HydrophobicContact CD1-CD1 3.69Å; F82-L116 HydrophobicContact CD1-CD2 4.15Å; F82-L116 HydrophobicContact CD1-CG 4.05Å; F82-L116 HydrophobicContact CD2-CD1 4.07Å; F82-L116 HydrophobicContact CD2-CG 4.18Å; F82-L116 HydrophobicContact CE1-CD1 3.85Å; F82-L116 HydrophobicContact CE2-CD1 4.21Å; F82-L116 HydrophobicContact CG-CD1 3.83Å; F82-L116 HydrophobicContact CG-CD2 4.15Å; F82-L116 HydrophobicContact CG-CG 3.79Å; F82-L116 HydrophobicContact CZ-CD1 4.11Å; T85-L116 HydrophobicContact CG2-CD2 3.85Å; L88-L116 HydrophobicContact CD2-CD1 4.49Å; M110-L116 HydrophobicContact CB-CD1 4.17Å; M110-L116 HydrophobicContact CE-CD1 3.93Å; M110-L116 WeakPolarHBondContact O-CD1 3.08Å; E113-L116 PolarHBondContact O-N 3.29Å; D114-L116 PolarHBondContact O-N 3.42Å; L116-D118 PolarHBondContact O-N 2.95Å; L116-D118 VanDerWaalsContact O-N 3.08Å; L116-A119 HydrophobicContact CB-CB 4.49Å; L116-A119 HydrophobicContact CD2-CB 4.2Å; L116-A119 WeakPolarHBondContact O-CB 3.25Å; L116-A119 PolarHBondContact O-N 3.41Å; L116-R151 PolarHBondContact O-NH1 3.18Å; L116-R151 PolarHBondContact O-NH2 2.87Å
117	R	92.8	Very high	95.3	Very high	153 Å²	153	40 Å²	40	58%	0.577	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-40.5	-178	-176	-175.9	-64.4	-178.2	-0.7	112.4	E113 D114	E113-R117 PolarHBondContact O-N 2.94Å; D114-R117 WeakPolarHBondContact O-CB 3.27Å; D114-R117 PolarHBondContact O-N 2.88Å; D114-R117 VanDerWaalsContact O-N 3.11Å; D114-R117 IonicContact OD1-CZ 3.74Å; D114-R117 IonicContact OD1-NE 3.68Å; D114-R117 IonicContact OD1-NH2 3.55Å; D114-R117 PolarHBondContact OD1-NH2 3.36Å; D114-R117 IonicContact OD2-NH2 3.67Å
118	D	91.5	Very high	95.5	Very high	109 Å²	109	42.7 Å²	42.7	58%	0.583	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.8	-175.3	-89.4	-52.5	0	0	0	114.5	L116 V120 K180	L116-D118 PolarHBondContact O-N 2.95Å; L116-D118 VanDerWaalsContact O-N 3.08Å; D118-V120 PolarHBondContact O-N 3.3Å; D118-K180 VanDerWaalsContact CG-NZ 3.33Å; D118-K180 PolarHBondContact O-NZ 3Å; D118-K180 IonicContact OD1-NZ 2.9Å; D118-K180 PolarHBondContact OD1-NZ 2.99Å
119	A	93.8	Very high	95.6	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-70.5	130.4	-176.9	0	0	0	0	0	111.7	Q86 L88 L116 R151	Q86-A119 WeakPolarHBondContact O-CA 3.22Å; L88-A119 HydrophobicContact CB-CB 4.43Å; L116-A119 HydrophobicContact CB-CB 4.49Å; L116-A119 HydrophobicContact CD2-CB 4.2Å; L116-A119 WeakPolarHBondContact O-CB 3.25Å; L116-A119 PolarHBondContact O-N 3.41Å; A119-R151 PolarHBondContact O-NH1 3.33Å
120	V	95.9	Very high	95.8	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.9	170.9	-179.6	0	0	0	0	109	Q86 G87 L88 D118 N152 W172 L173 Q176 L177	Q86-V120 PolarHBondContact O-N 2.75Å; G87-V120 CarbonylContact C-O 3.56Å; G87-V120 WeakPolarHBondContact CA-O 3.31Å; L88-V120 PolarHBondContact N-O 3.45Å; D118-V120 PolarHBondContact O-N 3.3Å; V120-N152 HydrophobicContact CG1-CB 4.32Å; V120-W172 HydrophobicContact CG1-CH2 3.47Å; V120-W172 VanDerWaalsContact CG1-CH2 3.47Å; V120-W172 HydrophobicContact CG1-CZ2 4.48Å; V120-W172 HydrophobicContact CG1-CZ3 3.62Å; V120-L173 HydrophobicContact CB-CD1 3.95Å; V120-L173 HydrophobicContact CG1-CD1 3.71Å; V120-Q176 HydrophobicContact CG1-CB 3.84Å; V120-Q176 HydrophobicContact CG1-CG 4.17Å; V120-Q176 HydrophobicContact CG2-CB 4.2Å; V120-L177 HydrophobicContact CB-CD2 4.2Å; V120-L177 HydrophobicContact CG2-CD2 3.85Å
121	L	97.8	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.1	-177.8	173.4	63.5	0	0	0	111.2	L88 F90 L107 L111 V123 L145 L148 R151 N152 W153 Y154 W172	L88-L121 HydrophobicContact CB-CD1 4.41Å; L88-L121 HydrophobicContact CD2-CD1 4Å; L88-L121 HydrophobicContact CG-CD1 4.12Å; L88-L121 CarbonylContact O-C 3.56Å; L88-L121 WeakPolarHBondContact O-CA 3.24Å; F90-L121 HydrophobicContact CB-CD1 4.07Å; L107-L121 HydrophobicContact CD1-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD2 4.29Å; L111-L121 HydrophobicContact CD1-CD2 4.03Å; L111-L121 HydrophobicContact CD2-CD2 4.34Å; L121-V123 HydrophobicContact CD1-CG2 4.11Å; L121-V123 HydrophobicContact CD2-CG2 4.21Å; L121-V123 HydrophobicContact CG-CG2 4.05Å; L121-L145 HydrophobicContact CD2-CD2 4.43Å; L121-L148 HydrophobicContact CD2-CD1 3.7Å; L121-R151 HydrophobicContact CB-CG 4.5Å; L121-N152 PolarHBondContact N-O 3.42Å; L121-W153 HydrophobicContact CB-CB 3.92Å; L121-W153 HydrophobicContact CD2-CB 4.04Å; L121-W153 HydrophobicContact CG-CB 4.15Å; L121-W153 CarbonylContact O-C 3.53Å; L121-W153 WeakPolarHBondContact O-CA 3.43Å; L121-Y154 PolarHBondContact O-N 2.93Å; L121-W172 WeakPolarHBondContact O-CH2 3.35Å; L121-W172 WeakPolarHBondContact O-CZ3 3.47Å
122	L	97.9	Very high	95.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.8	164.3	174.3	63.9	0	0	0	108.1	L88 I89 F90 F124 Y154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 2.87Å; I89-L122 CarbonylContact C-O 3.53Å; I89-L122 VanDerWaalsContact CA-O 3.25Å; I89-L122 WeakPolarHBondContact CA-O 3.18Å; I89-L122 HydrophobicContact CD1-CD2 4.39Å; I89-L122 HydrophobicContact CG1-CB 4.33Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; F90-L122 PolarHBondContact N-O 3.33Å; L122-F124 HydrophobicContact CD2-CD1 4.47Å; L122-F124 HydrophobicContact CD2-CE1 3.87Å; L122-F124 HydrophobicContact CD2-CE2 4.07Å; L122-F124 HydrophobicContact CD2-CZ 3.64Å; L122-F124 HydrophobicContact CG-CE1 4.34Å; L122-F124 HydrophobicContact CG-CZ 4.48Å; L122-Y154 CarbonylContact C-O 3.57Å; L122-Y154 WeakPolarHBondContact CA-O 3.45Å; L122-Y154 HydrophobicContact CD1-CD1 3.74Å; L122-Q156 HydrophobicContact CD1-CB 4.33Å; L122-G169 WeakPolarHBondContact CD2-O 3.41Å; L122-W172 HydrophobicContact CB-CZ3 4.22Å; L122-W172 HydrophobicContact CD1-CE3 4.15Å; L122-W172 HydrophobicContact CD1-CZ3 4.48Å; L122-L173 HydrophobicContact CB-CD2 4.43Å; L122-L173 HydrophobicContact CD2-CB 4.25Å; L122-L173 HydrophobicContact CD2-CD2 4.28Å
123	V	98.7	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.3	171.8	-179.2	0	0	0	0	108.8	F90 V92 L121 L143 L145 Y154 I155 Q156	F90-V123 HydrophobicContact CB-CG2 4.49Å; F90-V123 CarbonylContact O-C 3.36Å; F90-V123 VanDerWaalsContact O-CA 3.3Å; F90-V123 WeakPolarHBondContact O-CA 3.4Å; V92-V123 HydrophobicContact CG2-CG1 4.25Å; L121-V123 HydrophobicContact CD1-CG2 4.11Å; L121-V123 HydrophobicContact CD2-CG2 4.21Å; L121-V123 HydrophobicContact CG-CG2 4.05Å; V123-L143 HydrophobicContact CG1-CD1 3.83Å; V123-L143 HydrophobicContact CG2-CD1 4.48Å; V123-L145 HydrophobicContact CB-CD1 4.49Å; V123-L145 HydrophobicContact CG2-CD1 3.99Å; V123-L145 HydrophobicContact CG2-CD2 4.24Å; V123-Y154 PolarHBondContact N-O 3.17Å; V123-I155 HydrophobicContact CB-CB 4.18Å; V123-I155 HydrophobicContact CB-CD1 4.31Å; V123-I155 HydrophobicContact CB-CG1 3.99Å; V123-I155 HydrophobicContact CG1-CD1 3.93Å; V123-I155 HydrophobicContact CG1-CG1 4.02Å; V123-I155 CarbonylContact O-C 3.52Å; V123-I155 WeakPolarHBondContact O-CA 3.27Å; V123-Q156 PolarHBondContact O-N 3.44Å
124	F	98.6	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.5	167	-76.7	-42.1	0	0	0	109.8	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166 L170	I33-F124 HydrophobicContact CD1-CD2 3.91Å; I33-F124 HydrophobicContact CG2-CE2 4.44Å; I89-F124 HydrophobicContact CD1-CE2 4.45Å; I89-F124 HydrophobicContact CG2-CD2 3.38Å; I89-F124 HydrophobicContact CG2-CE2 3.64Å; I89-F124 HydrophobicContact CG2-CG 4.3Å; F90-F124 PolarHBondContact O-N 3.4Å; V91-F124 HydrophobicContact CG1-CB 4.38Å; V91-F124 HydrophobicContact CG2-CB 4.47Å; V91-F124 HydrophobicContact CG2-CD2 4.39Å; V92-F124 PolarHBondContact N-O 3.04Å; L122-F124 HydrophobicContact CD2-CD1 4.47Å; L122-F124 HydrophobicContact CD2-CE1 3.87Å; L122-F124 HydrophobicContact CD2-CE2 4.07Å; L122-F124 HydrophobicContact CD2-CZ 3.64Å; L122-F124 HydrophobicContact CG-CE1 4.34Å; L122-F124 HydrophobicContact CG-CZ 4.48Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 3.38Å; F124-N126 VanDerWaalsContact O-N 3.13Å; F124-Q156 WeakPolarHBondContact CA-O 3.4Å; F124-Q156 HydrophobicContact CD1-CB 3.96Å; F124-Q156 HydrophobicContact CD1-CG 4.31Å; F124-Q156 HydrophobicContact CE1-CB 4.07Å; F124-Q156 HydrophobicContact CE1-CG 4.13Å; F124-T158 HydrophobicContact CB-CG2 4.38Å; F124-T158 HydrophobicContact CD1-CG2 3.23Å; F124-T158 HydrophobicContact CE1-CG2 3.58Å; F124-T158 HydrophobicContact CG-CG2 3.99Å; F124-L166 HydrophobicContact CE1-CD2 4.49Å; F124-L166 HydrophobicContact CE2-CD2 4.31Å; F124-L166 HydrophobicContact CZ-CD2 4.23Å; F124-L170 HydrophobicContact CZ-CG 4.47Å
125	A	98.7	Very high	96.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	81.7	166.3	0	0	0	0	0	108	S94 Q128 I139 I155 Q156 T158	S94-A125 PolarHBondContact OG-O 2.93Å; A125-Q128 WeakPolarHBondContact O-CG 3.25Å; A125-Q128 PolarHBondContact O-NE2 3.15Å; A125-I139 HydrophobicContact CB-CD1 3.61Å; A125-I155 HydrophobicContact CB-CD1 4.25Å; A125-I155 HydrophobicContact CB-CG1 4.25Å; A125-Q156 PolarHBondContact N-O 2.89Å; A125-T158 PolarHBondContact O-N 3.11Å
126	N	98.5	Very high	96.8	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	162.1	-169.1	-171.4	35.6	0	0	0	112.5	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 3.16Å; V91-N126 HydrophobicContact CG1-CB 3.89Å; V92-N126 WeakPolarHBondContact O-CB 3.33Å; V92-N126 PolarHBondContact O-N 3.2Å; S94-N126 WeakPolarHBondContact CB-O 3.25Å; S94-N126 PolarHBondContact N-O 2.99Å; S94-N126 PolarHBondContact OG-N 2.67Å; S94-N126 PolarHBondContact OG-O 3Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 3.38Å; F124-N126 VanDerWaalsContact O-N 3.13Å; N126-T158 CarbonylContact C-O 3.57Å; N126-T158 WeakPolarHBondContact CA-O 3.41Å; N126-T158 VanDerWaalsContact CA-OG1 3.31Å; N126-T158 WeakPolarHBondContact CA-OG1 3.49Å; N126-T158 PolarHBondContact OD1-OG1 3.4Å; N126-A160 WeakPolarHBondContact OD1-CB 3.39Å; N126-A160 PolarHBondContact OD1-N 2.98Å
127	K	98.3	Very high	97	Very high	48 Å²	48	45.4 Å²	45.4	21%	0.209	25%	0.249	C	C	.	.			trans	68.4	36.6	-177.7	-43.7	-166	-167	173.6	0	114.4	A27 D93 D129 L130 A133 T158	A27-K127 WeakPolarHBondContact O-CE 3.3Å; A27-K127 PolarHBondContact O-NZ 3.4Å; D93-K127 WeakPolarHBondContact OD1-CD 3.42Å; D93-K127 IonicContact OD1-NZ 2.67Å; D93-K127 VanDerWaalsContact OD2-CE 3.27Å; D93-K127 WeakPolarHBondContact OD2-CE 2.95Å; D93-K127 IonicContact OD2-NZ 3.28Å; D93-K127 PolarHBondContact OD2-NZ 3.36Å; K127-D129 VanDerWaalsContact C-OD1 3.32Å; K127-D129 VanDerWaalsContact CA-OD1 3.3Å; K127-D129 WeakPolarHBondContact CA-OD1 3.45Å; K127-D129 PolarHBondContact O-N 3.33Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.21Å; K127-L130 HydrophobicContact CD-CD1 3.97Å; K127-L130 PolarHBondContact O-N 3.1Å; K127-A133 WeakPolarHBondContact O-CB 3.49Å; K127-T158 PolarHBondContact N-O 3.26Å; K127-T158 VanDerWaalsContact N-O 3.07Å
128	Q	98.6	Very high	97.3	Very high	58 Å²	58	40.6 Å²	40.6	27%	0.271	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.6	177.1	-65.5	-72.3	-55.9	0	0	113.5	S94 A125 L130 M134 A157 T158	S94-Q128 PolarHBondContact OG-NE2 2.88Å; A125-Q128 WeakPolarHBondContact O-CG 3.25Å; A125-Q128 PolarHBondContact O-NE2 3.15Å; Q128-L130 PolarHBondContact O-N 3.4Å; Q128-M134 PolarHBondContact NE2-O 3.44Å; Q128-A157 HydrophobicContact CG-CB 4.01Å; Q128-T158 WeakPolarHBondContact CG-O 3.34Å; Q128-T158 PolarHBondContact N-O 2.96Å; Q128-T158 VanDerWaalsContact N-O 3.14Å
129	D	97.8	Very high	97.6	Very high	96 Å²	96	35.4 Å²	35.4	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.5	171.6	56.5	-67	0	0	0	113.6	K127 C159	K127-D129 VanDerWaalsContact C-OD1 3.32Å; K127-D129 VanDerWaalsContact CA-OD1 3.3Å; K127-D129 WeakPolarHBondContact CA-OD1 3.45Å; K127-D129 PolarHBondContact O-N 3.33Å; D129-C159 VanDerWaalsContact CG-SG 3.54Å; D129-C159 PolarHBondContact OD1-SG 2.94Å
130	L	97.5	Very high	97.8	Very high	59 Å²	59	35.8 Å²	35.8	31%	0.309	21%	0.208	S	C	.	.	S	Bend	trans	-86.8	142.4	-177.5	-61	-179.1	0	0	0	112.3	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 3.99Å; N95-L130 HydrophobicContact CB-CD1 3.53Å; N95-L130 HydrophobicContact CB-CG 4.4Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.21Å; K127-L130 HydrophobicContact CD-CD1 3.97Å; K127-L130 PolarHBondContact O-N 3.1Å; Q128-L130 PolarHBondContact O-N 3.4Å; L130-N132 VanDerWaalsContact C-N 3.25Å; L130-N132 PolarHBondContact O-N 3.21Å; L130-N132 VanDerWaalsContact O-N 3.11Å; L130-A133 VanDerWaalsContact O-CB 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.5Å; L130-A133 PolarHBondContact O-N 2.68Å; L130-A133 VanDerWaalsContact O-N 3.13Å
131	P	93.7	Very high	97.9	Very high	121 Å²	121	40.5 Å²	40.5	79%	0.786	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21	-168.4	24.8	-35.4	0	0	0	115
132	N	95.5	Very high	98	Very high	105 Å²	105	43.5 Å²	43.5	56%	0.561	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	14.6	-179.6	-62.8	-46.2	0	0	0	112.9	N95 R97 L130 M134	N95-N132 WeakPolarHBondContact OD1-CB 3.48Å; N95-N132 PolarHBondContact OD1-N 3.11Å; R97-N132 PolarHBondContact NE-O 3.13Å; R97-N132 PolarHBondContact NH2-O 3.11Å; L130-N132 VanDerWaalsContact C-N 3.25Å; L130-N132 PolarHBondContact O-N 3.21Å; L130-N132 VanDerWaalsContact O-N 3.11Å; N132-M134 PolarHBondContact O-N 3.28Å
133	A	98.2	Very high	98	Very high	21 Å²	21	43.5 Å²	43.5	17%	0.174	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-59.2	127.7	-179.6	0	0	0	0	0	111.4	S94 K127 L130 N135	S94-A133 CarbonylContact O-C 3.53Å; S94-A133 WeakPolarHBondContact O-CA 3.43Å; K127-A133 WeakPolarHBondContact O-CB 3.49Å; L130-A133 VanDerWaalsContact O-CB 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.5Å; L130-A133 PolarHBondContact O-N 2.68Å; L130-A133 VanDerWaalsContact O-N 3.13Å; A133-N135 PolarHBondContact O-N 3.45Å
134	M	98.7	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-61.3	126.1	167	-63.8	178.7	-71.7	0	0	108.4	S94 R97 V100 Q128 N132 E138 I139 K142	S94-M134 WeakPolarHBondContact CB-O 3.34Å; S94-M134 WeakPolarHBondContact O-CB 3.36Å; S94-M134 WeakPolarHBondContact O-CE 3.27Å; S94-M134 WeakPolarHBondContact O-CG 3.47Å; S94-M134 PolarHBondContact O-N 2.66Å; R97-M134 HydrophobicContact CG-CE 4.3Å; R97-M134 HydrophobicContact CG-CG 3.86Å; R97-M134 HydrophobicContact CG-SD 3.91Å; R97-M134 VanDerWaalsContact CZ-CG 3.48Å; V100-M134 HydrophobicContact CB-CE 3.79Å; V100-M134 HydrophobicContact CB-SD 4.36Å; V100-M134 HydrophobicContact CG1-CE 4.36Å; V100-M134 HydrophobicContact CG1-SD 4.34Å; V100-M134 HydrophobicContact CG2-CE 3.73Å; V100-M134 HydrophobicContact CG2-SD 4.22Å; Q128-M134 PolarHBondContact NE2-O 3.44Å; N132-M134 PolarHBondContact O-N 3.28Å; M134-E138 WeakPolarHBondContact CA-OE2 3.08Å; M134-E138 HydrophobicContact CB-CB 4.23Å; M134-E138 HydrophobicContact CB-CG 4.16Å; M134-E138 HydrophobicContact CG-CG 4.2Å; M134-E138 WeakPolarHBondContact CG-OE2 3.45Å; M134-E138 HydrophobicContact SD-CG 4.49Å; M134-I139 HydrophobicContact CB-CD1 4.07Å; M134-I139 HydrophobicContact CB-CG1 3.65Å; M134-I139 HydrophobicContact CE-CG1 4.35Å; M134-K142 HydrophobicContact SD-CD 3.4Å; M134-K142 WeakPolarHBondContact SD-CD 3.4Å; M134-K142 VanDerWaalsContact SD-CE 3.58Å
135	N	98.3	Very high	97.9	Very high	86 Å²	86	44.2 Å²	44.2	46%	0.46	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-70.2	170.3	175.6	67.3	40.8	0	0	0	110.8	A133 A137 E138 I139	A133-N135 PolarHBondContact O-N 3.45Å; N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 2.91Å; N135-A137 WeakPolarHBondContact OD1-CB 3.48Å; N135-A137 PolarHBondContact OD1-N 3.25Å; N135-E138 PolarHBondContact O-N 3.47Å; N135-E138 PolarHBondContact OD1-N 2.89Å; N135-I139 PolarHBondContact O-N 2.81Å
136	A	98	Very high	97.8	Very high	26 Å²	26	50.1 Å²	50.1	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-35.4	-178.5	0	0	0	0	0	113.5	T140 I155	A136-T140 WeakPolarHBondContact O-CB 3.28Å; A136-T140 PolarHBondContact O-N 2.83Å; A136-T140 PolarHBondContact O-OG1 3.41Å; A136-I155 HydrophobicContact CB-CD1 4.39Å; A136-I155 HydrophobicContact CB-CG1 4.32Å; A136-I155 HydrophobicContact CB-CG2 4.37Å; A136-I155 WeakPolarHBondContact O-CD1 3.39Å
137	A	98.3	Very high	97.6	Very high	62 Å²	62	53.7 Å²	53.7	51%	0.512	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-46.7	177.7	0	0	0	0	0	111.3	N135 I139 T140 D141	N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 2.91Å; N135-A137 WeakPolarHBondContact OD1-CB 3.48Å; N135-A137 PolarHBondContact OD1-N 3.25Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 2.88Å; A137-T140 VanDerWaalsContact O-CB 3.29Å; A137-T140 WeakPolarHBondContact O-CB 3.38Å; A137-T140 PolarHBondContact O-N 2.66Å; A137-T140 VanDerWaalsContact O-N 3.1Å; A137-D141 PolarHBondContact O-N 3.05Å
138	E	98.5	Very high	97.4	Very high	53 Å²	53	52.7 Å²	52.7	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-40.8	177.6	-174.2	178.6	179.3	0	0	111.8	R97 M134 N135 D141 K142	R97-E138 IonicContact CZ-OE1 3.05Å; R97-E138 IonicContact CZ-OE2 3.05Å; R97-E138 IonicContact NH1-OE1 2.63Å; R97-E138 PolarHBondContact NH1-OE1 3.14Å; R97-E138 IonicContact NH1-OE2 3.89Å; R97-E138 PolarHBondContact NH1-OE2 3.19Å; R97-E138 IonicContact NH2-OE1 2.64Å; R97-E138 IonicContact NH2-OE2 3.94Å; R97-E138 PolarHBondContact NH2-OE2 2.9Å; M134-E138 WeakPolarHBondContact CA-OE2 3.08Å; M134-E138 HydrophobicContact CB-CB 4.23Å; M134-E138 HydrophobicContact CB-CG 4.16Å; M134-E138 HydrophobicContact CG-CG 4.2Å; M134-E138 WeakPolarHBondContact CG-OE2 3.45Å; M134-E138 HydrophobicContact SD-CG 4.49Å; N135-E138 PolarHBondContact O-N 3.47Å; N135-E138 PolarHBondContact OD1-N 2.89Å; E138-D141 PolarHBondContact O-N 3.43Å; E138-K142 HydrophobicContact CG-CD 4.05Å; E138-K142 WeakPolarHBondContact O-CB 3.38Å; E138-K142 WeakPolarHBondContact O-CG 3.43Å; E138-K142 PolarHBondContact O-N 3.18Å; E138-K142 WeakPolarHBondContact OE1-CE 3.27Å
139	I	98.6	Very high	96.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-67.6	-38	175.4	-67.1	-177.9	0	0	0	111.4	V92 S94 A125 M134 N135 A137 D141 K142 L143 I155	V92-I139 HydrophobicContact CG1-CD1 4.19Å; V92-I139 HydrophobicContact CG1-CG2 4.47Å; S94-I139 VanDerWaalsContact OG-CD1 3.27Å; S94-I139 WeakPolarHBondContact OG-CD1 3.3Å; A125-I139 HydrophobicContact CB-CD1 3.61Å; M134-I139 HydrophobicContact CB-CD1 4.07Å; M134-I139 HydrophobicContact CB-CG1 3.65Å; M134-I139 HydrophobicContact CE-CG1 4.35Å; N135-I139 PolarHBondContact O-N 2.81Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 2.88Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 2.94Å; I139-K142 PolarHBondContact O-N 3.2Å; I139-L143 HydrophobicContact CG2-CD1 3.55Å; I139-L143 HydrophobicContact CG2-CG 3.87Å; I139-L143 WeakPolarHBondContact O-CB 3.42Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.36Å; I139-L143 PolarHBondContact O-N 3.04Å; I139-I155 HydrophobicContact CB-CD1 3.9Å; I139-I155 HydrophobicContact CG2-CD1 3.61Å
140	T	98.5	Very high	96.5	Very high	10 Å²	10	64.8 Å²	64.8	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-56.7	-46.3	175.8	-59.7	0	0	0	0	110.9	A136 A137 G144 L145 H146 W153	A136-T140 WeakPolarHBondContact O-CB 3.28Å; A136-T140 PolarHBondContact O-N 2.83Å; A136-T140 PolarHBondContact O-OG1 3.41Å; A137-T140 VanDerWaalsContact O-CB 3.29Å; A137-T140 WeakPolarHBondContact O-CB 3.38Å; A137-T140 PolarHBondContact O-N 2.66Å; A137-T140 VanDerWaalsContact O-N 3.1Å; T140-G144 PolarHBondContact O-N 2.9Å; T140-G144 VanDerWaalsContact O-N 3.11Å; T140-L145 HydrophobicContact CG2-CB 4.01Å; T140-L145 HydrophobicContact CG2-CD1 4.32Å; T140-L145 HydrophobicContact CG2-CG 4.46Å; T140-L145 PolarHBondContact O-N 3.26Å; T140-H146 WeakPolarHBondContact CG2-NE2 3.35Å; T140-W153 HydrophobicContact CG2-CH2 3.88Å; T140-W153 HydrophobicContact CG2-CZ3 4.28Å
141	D	98.3	Very high	96.3	Very high	103 Å²	103	63.3 Å²	63.3	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-66.5	-49.5	178	-71.1	-28.2	0	0	0	111.8	A137 E138 I139 L143 G144 H146	A137-D141 PolarHBondContact O-N 3.05Å; E138-D141 PolarHBondContact O-N 3.43Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 2.94Å; D141-L143 PolarHBondContact O-N 3.13Å; D141-G144 PolarHBondContact O-N 3.25Å; D141-H146 IonicContact OD1-CD2 2.68Å; D141-H146 IonicContact OD1-NE2 2.58Å
142	K	98.3	Very high	96.5	Very high	63 Å²	63	62 Å²	62	27%	0.274	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-38.8	-177.3	-77.4	175	171.9	-73	0	112.9	V100 R104 M134 E138 I139 G144	V100-K142 HydrophobicContact CB-CD 4.47Å; V100-K142 HydrophobicContact CG1-CB 4.5Å; V100-K142 HydrophobicContact CG1-CD 3.76Å; V100-K142 HydrophobicContact CG2-CB 3.87Å; V100-K142 HydrophobicContact CG2-CD 4Å; R104-K142 VanDerWaalsContact CD-O 3.3Å; R104-K142 WeakPolarHBondContact CD-O 3.36Å; M134-K142 HydrophobicContact SD-CD 3.4Å; M134-K142 WeakPolarHBondContact SD-CD 3.4Å; M134-K142 VanDerWaalsContact SD-CE 3.58Å; E138-K142 HydrophobicContact CG-CD 4.05Å; E138-K142 WeakPolarHBondContact O-CB 3.38Å; E138-K142 WeakPolarHBondContact O-CG 3.43Å; E138-K142 PolarHBondContact O-N 3.18Å; E138-K142 WeakPolarHBondContact OE1-CE 3.27Å; I139-K142 PolarHBondContact O-N 3.2Å; K142-G144 VanDerWaalsContact C-N 3.26Å
143	L	98.4	Very high	96.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-77.5	-12.1	173.9	-62.6	-178.7	0	0	0	112.8	V92 A103 R104 L107 M108 V123 I139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 4Å; V92-L143 HydrophobicContact CG2-CD2 4.47Å; A103-L143 HydrophobicContact CB-CD2 4.42Å; R104-L143 HydrophobicContact CB-CD2 4.02Å; L107-L143 HydrophobicContact CD2-CB 4.42Å; L107-L143 HydrophobicContact CD2-CD1 4.21Å; M108-L143 WeakPolarHBondContact CE-O 3.1Å; V123-L143 HydrophobicContact CG1-CD1 3.83Å; V123-L143 HydrophobicContact CG2-CD1 4.48Å; I139-L143 HydrophobicContact CG2-CD1 3.55Å; I139-L143 HydrophobicContact CG2-CG 3.87Å; I139-L143 WeakPolarHBondContact O-CB 3.42Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.36Å; I139-L143 PolarHBondContact O-N 3.04Å; D141-L143 PolarHBondContact O-N 3.13Å; L143-L145 HydrophobicContact CB-CD2 3.78Å; L143-L145 HydrophobicContact CB-CG 3.93Å; L143-L145 HydrophobicContact CD1-CD2 4.21Å
144	G	97.7	Very high	96.6	Very high	14 Å²	14	63.4 Å²	63.4	14%	0.144	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	33.5	-178.2	0	0	0	0	0	113.4	T140 D141 K142 H146 S147	T140-G144 PolarHBondContact O-N 2.9Å; T140-G144 VanDerWaalsContact O-N 3.11Å; D141-G144 PolarHBondContact O-N 3.25Å; K142-G144 VanDerWaalsContact C-N 3.26Å; G144-H146 PolarHBondContact O-N 3.45Å; G144-H146 VanDerWaalsContact O-N 3.14Å; G144-S147 PolarHBondContact O-N 2.94Å; G144-S147 PolarHBondContact O-OG 2.81Å
145	L	97.6	Very high	96.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-61.9	-26.9	-175.1	-56.4	-177	0	0	0	112.6	L107 L121 V123 T140 L143 S147 L148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.86Å; L121-L145 HydrophobicContact CD2-CD2 4.43Å; V123-L145 HydrophobicContact CB-CD1 4.49Å; V123-L145 HydrophobicContact CG2-CD1 3.99Å; V123-L145 HydrophobicContact CG2-CD2 4.24Å; T140-L145 HydrophobicContact CG2-CB 4.01Å; T140-L145 HydrophobicContact CG2-CD1 4.32Å; T140-L145 HydrophobicContact CG2-CG 4.46Å; T140-L145 PolarHBondContact O-N 3.26Å; L143-L145 HydrophobicContact CB-CD2 3.78Å; L143-L145 HydrophobicContact CB-CG 3.93Å; L143-L145 HydrophobicContact CD1-CD2 4.21Å; L145-S147 PolarHBondContact O-N 3.18Å; L145-S147 VanDerWaalsContact O-N 3.15Å; L145-L148 HydrophobicContact CD2-CD1 4Å; L145-L148 WeakPolarHBondContact O-CB 3.21Å; L145-L148 PolarHBondContact O-N 2.8Å; L145-W153 HydrophobicContact CB-CD2 4.13Å; L145-W153 HydrophobicContact CB-CE3 4.09Å; L145-W153 HydrophobicContact CB-CH2 3.98Å; L145-W153 HydrophobicContact CB-CZ2 4Å; L145-W153 HydrophobicContact CB-CZ3 4.02Å; L145-W153 HydrophobicContact CD1-CE3 3.9Å; L145-W153 HydrophobicContact CD1-CZ3 3.9Å; L145-W153 PolarHBondContact O-NE1 3.43Å; L145-I155 HydrophobicContact CD1-CB 4.35Å; L145-I155 HydrophobicContact CD1-CD1 4.28Å
146	H	96.2	Very high	96.6	Very high	125 Å²	125	61.5 Å²	61.5	58%	0.579	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-59.7	-21.5	174.5	-65.9	-55.4	0	0	0	114.2	T140 D141 G144 L148	T140-H146 WeakPolarHBondContact CG2-NE2 3.35Å; D141-H146 IonicContact OD1-CD2 2.68Å; D141-H146 IonicContact OD1-NE2 2.58Å; G144-H146 PolarHBondContact O-N 3.45Å; G144-H146 VanDerWaalsContact O-N 3.14Å; H146-L148 VanDerWaalsContact C-N 3.3Å
147	S	94.9	Very high	96.6	Very high	78 Å²	78	62.1 Å²	62.1	55%	0.545	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-79.5	-11.3	176.1	68.6	0	0	0	0	113.5	G144 L145 R149	G144-S147 PolarHBondContact O-N 2.94Å; G144-S147 PolarHBondContact O-OG 2.81Å; L145-S147 PolarHBondContact O-N 3.18Å; L145-S147 VanDerWaalsContact O-N 3.15Å; S147-R149 VanDerWaalsContact C-N 3.3Å; S147-R149 PolarHBondContact O-N 3.48Å
148	L	94	Very high	96.6	Very high	26 Å²	26	59.2 Å²	59.2	14%	0.136	29%	0.286	C	S	.	.			trans	-80.8	68.7	-177.1	-57.2	179.5	0	0	0	111.9	M108 L111 L121 L145 H146 H150	M108-L148 HydrophobicContact CE-CD2 4.33Å; M108-L148 HydrophobicContact SD-CD2 4.25Å; L111-L148 HydrophobicContact CD1-CD1 3.66Å; L111-L148 HydrophobicContact CD1-CD2 3.71Å; L111-L148 HydrophobicContact CD1-CG 4.36Å; L121-L148 HydrophobicContact CD2-CD1 3.7Å; L145-L148 HydrophobicContact CD2-CD1 4Å; L145-L148 WeakPolarHBondContact O-CB 3.21Å; L145-L148 PolarHBondContact O-N 2.8Å; H146-L148 VanDerWaalsContact C-N 3.3Å; L148-H150 PolarHBondContact O-N 2.93Å
149	R	88.7	Confident	96.6	Very high	219 Å²	219	57.1 Å²	57.1	83%	0.826	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.8	-173	-63.4	-170.3	-178.2	-124.4	0.5	115.6	S147	S147-R149 VanDerWaalsContact C-N 3.3Å; S147-R149 PolarHBondContact O-N 3.48Å
150	H	89.3	Confident	96.4	Very high	189 Å²	189	57.3 Å²	57.3	88%	0.875	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	19.4	-172.6	-60.5	-65.6	0	0	0	113.2	L148	L148-H150 PolarHBondContact O-N 2.93Å
151	R	93.7	Very high	96.1	Very high	29 Å²	29	60 Å²	60	11%	0.109	30%	0.295	C	S	.	.	S	Bend	trans	-133.3	131.3	-177.6	-173.9	177.7	-69.3	-108.5	8.1	109.6	L111 L116 A119 L121 W153	L111-R151 VanDerWaalsContact CD2-CZ 3.41Å; L111-R151 PolarHBondContact O-NH2 3.4Å; L116-R151 PolarHBondContact O-NH1 3.18Å; L116-R151 PolarHBondContact O-NH2 2.87Å; A119-R151 PolarHBondContact O-NH1 3.33Å; L121-R151 HydrophobicContact CB-CG 4.5Å; R151-W153 VanDerWaalsContact O-CD1 3.3Å; R151-W153 PolarHBondContact O-N 2.63Å
152	N	95.9	Very high	95.8	Very high	93 Å²	93	57.5 Å²	57.5	50%	0.497	29%	0.285	S	S	.	.			trans	-71.3	120.3	170.5	-69.4	-22.8	0	0	0	108.6	V120 L121	V120-N152 HydrophobicContact CG1-CB 4.32Å; L121-N152 PolarHBondContact N-O 3.42Å
153	W	98.1	Very high	95.6	Very high	73 Å²	73	55 Å²	55	28%	0.277	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.7	178.1	66.2	-95.7	0	0	0	112.2	L121 T140 L145 R151 I155 W172	L121-W153 HydrophobicContact CB-CB 3.92Å; L121-W153 HydrophobicContact CD2-CB 4.04Å; L121-W153 HydrophobicContact CG-CB 4.15Å; L121-W153 CarbonylContact O-C 3.53Å; L121-W153 WeakPolarHBondContact O-CA 3.43Å; T140-W153 HydrophobicContact CG2-CH2 3.88Å; T140-W153 HydrophobicContact CG2-CZ3 4.28Å; L145-W153 HydrophobicContact CB-CD2 4.13Å; L145-W153 HydrophobicContact CB-CE3 4.09Å; L145-W153 HydrophobicContact CB-CH2 3.98Å; L145-W153 HydrophobicContact CB-CZ2 4Å; L145-W153 HydrophobicContact CB-CZ3 4.02Å; L145-W153 HydrophobicContact CD1-CE3 3.9Å; L145-W153 HydrophobicContact CD1-CZ3 3.9Å; L145-W153 PolarHBondContact O-NE1 3.43Å; R151-W153 VanDerWaalsContact O-CD1 3.3Å; R151-W153 PolarHBondContact O-N 2.63Å; W153-I155 HydrophobicContact CZ3-CG2 4.28Å; W153-W172 VanDerWaalsContact C-CH2 3.43Å
154	Y	98.4	Very high	95.5	Very high	83 Å²	83	60 Å²	60	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.9	170	177.8	-119.1	0	0	0	109.5	L121 L122 V123 Q156 W172	L121-Y154 PolarHBondContact O-N 2.93Å; L122-Y154 CarbonylContact C-O 3.57Å; L122-Y154 WeakPolarHBondContact CA-O 3.45Å; L122-Y154 HydrophobicContact CD1-CD1 3.74Å; V123-Y154 PolarHBondContact N-O 3.17Å; Y154-Q156 HydrophobicContact CD1-CB 4.32Å; Y154-Q156 HydrophobicContact CE1-CB 3.8Å; Y154-Q156 HydrophobicContact CE1-CG 4.41Å; Y154-Q156 PolarHBondContact OH-OE1 3.35Å; Y154-W172 HydrophobicContact CD1-CB 3.97Å; Y154-W172 AromaticContact CD1-CD2 3.81Å; Y154-W172 HydrophobicContact CD1-CD2 3.81Å; Y154-W172 HydrophobicContact CD1-CE3 4.09Å; Y154-W172 AromaticContact CD1-CG 3.72Å; Y154-W172 HydrophobicContact CD1-CG 3.72Å; Y154-W172 HydrophobicContact CE1-CB 4.26Å; Y154-W172 HydrophobicContact CE1-CG 4.36Å; Y154-W172 AromaticContact CG-CD2 3.8Å; Y154-W172 HydrophobicContact CG-CD2 3.8Å; Y154-W172 AromaticContact CG-CE2 3.92Å; Y154-W172 HydrophobicContact CG-CE3 4.23Å; Y154-W172 AromaticContact CG-CG 3.97Å; Y154-W172 HydrophobicContact CG-CG 3.97Å; Y154-W172 HydrophobicContact CG-CZ2 4.44Å
155	I	98.6	Very high	95.4	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.097	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135	173.5	-174.1	162.6	0	0	0	108.9	V123 A125 A136 I139 L145 W153	V123-I155 HydrophobicContact CB-CB 4.18Å; V123-I155 HydrophobicContact CB-CD1 4.31Å; V123-I155 HydrophobicContact CB-CG1 3.99Å; V123-I155 HydrophobicContact CG1-CD1 3.93Å; V123-I155 HydrophobicContact CG1-CG1 4.02Å; V123-I155 CarbonylContact O-C 3.52Å; V123-I155 WeakPolarHBondContact O-CA 3.27Å; A125-I155 HydrophobicContact CB-CD1 4.25Å; A125-I155 HydrophobicContact CB-CG1 4.25Å; A136-I155 HydrophobicContact CB-CD1 4.39Å; A136-I155 HydrophobicContact CB-CG1 4.32Å; A136-I155 HydrophobicContact CB-CG2 4.37Å; A136-I155 WeakPolarHBondContact O-CD1 3.39Å; I139-I155 HydrophobicContact CB-CD1 3.9Å; I139-I155 HydrophobicContact CG2-CD1 3.61Å; L145-I155 HydrophobicContact CD1-CB 4.35Å; L145-I155 HydrophobicContact CD1-CD1 4.28Å; W153-I155 HydrophobicContact CZ3-CG2 4.28Å
156	Q	98.7	Very high	95.2	Very high	27 Å²	27	59.7 Å²	59.7	13%	0.126	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.6	-179.8	-179.2	57	59.7	0	0	109	L122 V123 F124 A125 Y154 T158 G165	L122-Q156 HydrophobicContact CD1-CB 4.33Å; V123-Q156 PolarHBondContact O-N 3.44Å; F124-Q156 WeakPolarHBondContact CA-O 3.4Å; F124-Q156 HydrophobicContact CD1-CB 3.96Å; F124-Q156 HydrophobicContact CD1-CG 4.31Å; F124-Q156 HydrophobicContact CE1-CB 4.07Å; F124-Q156 HydrophobicContact CE1-CG 4.13Å; A125-Q156 PolarHBondContact N-O 2.89Å; Y154-Q156 HydrophobicContact CD1-CB 4.32Å; Y154-Q156 HydrophobicContact CE1-CB 3.8Å; Y154-Q156 HydrophobicContact CE1-CG 4.41Å; Y154-Q156 PolarHBondContact OH-OE1 3.35Å; Q156-T158 HydrophobicContact CB-CG2 4.48Å; Q156-T158 HydrophobicContact CG-CG2 3.92Å; Q156-G165 WeakPolarHBondContact CG-O 3.5Å
157	A	98.6	Very high	95	Very high	38 Å²	38	58.7 Å²	58.7	31%	0.314	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.2	169.2	0	0	0	0	0	109.1	Q128	Q128-A157 HydrophobicContact CG-CB 4.01Å
158	T	98.4	Very high	95	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.012	29%	0.291	C	S	.	.			trans	-140.8	156	-176.7	60.6	0	0	0	0	114.2	F124 A125 N126 K127 Q128 Q156 D164 L166	F124-T158 HydrophobicContact CB-CG2 4.38Å; F124-T158 HydrophobicContact CD1-CG2 3.23Å; F124-T158 HydrophobicContact CE1-CG2 3.58Å; F124-T158 HydrophobicContact CG-CG2 3.99Å; A125-T158 PolarHBondContact O-N 3.11Å; N126-T158 CarbonylContact C-O 3.57Å; N126-T158 WeakPolarHBondContact CA-O 3.41Å; N126-T158 VanDerWaalsContact CA-OG1 3.31Å; N126-T158 WeakPolarHBondContact CA-OG1 3.49Å; N126-T158 PolarHBondContact OD1-OG1 3.4Å; K127-T158 PolarHBondContact N-O 3.26Å; K127-T158 VanDerWaalsContact N-O 3.07Å; Q128-T158 WeakPolarHBondContact CG-O 3.34Å; Q128-T158 PolarHBondContact N-O 2.96Å; Q128-T158 VanDerWaalsContact N-O 3.14Å; Q156-T158 HydrophobicContact CB-CG2 4.48Å; Q156-T158 HydrophobicContact CG-CG2 3.92Å; T158-D164 VanDerWaalsContact CA-O 3.23Å; T158-D164 WeakPolarHBondContact CA-O 3.41Å; T158-D164 WeakPolarHBondContact CB-O 3.12Å; T158-L166 HydrophobicContact CG2-CD2 3.95Å
159	C	97.6	Very high	95	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.061	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-126.9	103.9	164.5	177.4	0	0	0	0	108	D129 T161 S162 G163 D164	D129-C159 VanDerWaalsContact CG-SG 3.54Å; D129-C159 PolarHBondContact OD1-SG 2.94Å; C159-T161 PolarHBondContact O-N 2.98Å; C159-T161 PolarHBondContact SG-OG1 3.27Å; C159-S162 VanDerWaalsContact CB-OG 3.3Å; C159-S162 WeakPolarHBondContact CB-OG 3.44Å; C159-S162 PolarHBondContact O-N 3.13Å; C159-S162 PolarHBondContact O-OG 2.85Å; C159-S162 PolarHBondContact SG-OG 3.33Å; C159-S162 VanDerWaalsContact SG-OG 3.38Å; C159-G163 WeakPolarHBondContact O-CA 3.48Å; C159-G163 PolarHBondContact O-N 2.99Å; C159-D164 HydrophobicContact CB-CB 4.43Å; C159-D164 PolarHBondContact N-O 2.9Å; C159-D164 PolarHBondContact O-N 3.31Å
160	A	93.5	Very high	95.2	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.033	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.3	-175.7	0	0	0	0	0	113.7	T32 I33 N126	T32-A160 HydrophobicContact CG2-CB 3.8Å; I33-A160 HydrophobicContact CD1-CB 4.39Å; I33-A160 HydrophobicContact CG1-CB 3.49Å; I33-A160 VanDerWaalsContact CG1-CB 3.49Å; N126-A160 WeakPolarHBondContact OD1-CB 3.39Å; N126-A160 PolarHBondContact OD1-N 2.98Å
161	T	92.9	Very high	95.2	Very high	66 Å²	66	42 Å²	42	41%	0.405	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-46.2	-178.9	49.9	0	0	0	0	111.3	T32 K36 I42 C159	T32-T161 HydrophobicContact CG2-CG2 4.2Å; K36-T161 PolarHBondContact NZ-O 3.37Å; I42-T161 WeakPolarHBondContact CD1-O 3.22Å; I42-T161 VanDerWaalsContact CG1-O 3.27Å; I42-T161 WeakPolarHBondContact CG1-O 3.34Å; C159-T161 PolarHBondContact O-N 2.98Å; C159-T161 PolarHBondContact SG-OG1 3.27Å
162	S	92.9	Very high	95.3	Very high	51 Å²	51	43.1 Å²	43.1	36%	0.357	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-34.3	174.9	66.4	0	0	0	0	112.2	K36 C159 D164	K36-S162 WeakPolarHBondContact CE-O 3.24Å; K36-S162 PolarHBondContact NZ-O 3.47Å; C159-S162 VanDerWaalsContact CB-OG 3.3Å; C159-S162 WeakPolarHBondContact CB-OG 3.44Å; C159-S162 PolarHBondContact O-N 3.13Å; C159-S162 PolarHBondContact O-OG 2.85Å; C159-S162 PolarHBondContact SG-OG 3.33Å; C159-S162 VanDerWaalsContact SG-OG 3.38Å; S162-D164 WeakPolarHBondContact CB-OD2 3.48Å; S162-D164 PolarHBondContact OG-N 3.31Å; S162-D164 PolarHBondContact OG-OD2 2.64Å
163	G	92.4	Very high	95.1	Very high	10 Å²	10	38.7 Å²	38.7	10%	0.103	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	-1.3	-172.7	0	0	0	0	0	113.5	C159 G165 L166	C159-G163 WeakPolarHBondContact O-CA 3.48Å; C159-G163 PolarHBondContact O-N 2.99Å; G163-G165 PolarHBondContact O-N 2.75Å; G163-L166 WeakPolarHBondContact O-CB 3.27Å; G163-L166 WeakPolarHBondContact O-CG 3.44Å; G163-L166 PolarHBondContact O-N 3.39Å
164	D	96.3	Very high	94.6	Very high	106 Å²	106	35.3 Å²	35.3	57%	0.567	19%	0.185	S	C	*	.	B	Isolated β-bridge	trans	-62.1	135.7	-176.1	-59.8	-34.7	0	0	0	111.2	T158 C159 S162 L166	T158-D164 VanDerWaalsContact CA-O 3.23Å; T158-D164 WeakPolarHBondContact CA-O 3.41Å; T158-D164 WeakPolarHBondContact CB-O 3.12Å; C159-D164 HydrophobicContact CB-CB 4.43Å; C159-D164 PolarHBondContact N-O 2.9Å; C159-D164 PolarHBondContact O-N 3.31Å; S162-D164 WeakPolarHBondContact CB-OD2 3.48Å; S162-D164 PolarHBondContact OG-N 3.31Å; S162-D164 PolarHBondContact OG-OD2 2.64Å; D164-L166 PolarHBondContact O-N 2.97Å
165	G	96.6	Very high	94.1	Very high	6 Å²	6	35.3 Å²	35.3	6%	0.062	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-13	178.6	0	0	0	0	0	114.9	Q156 G163 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.5Å; G163-G165 PolarHBondContact O-N 2.75Å; G165-E168 WeakPolarHBondContact CA-OE2 3.1Å; G165-E168 PolarHBondContact N-OE2 3.21Å; G165-G169 PolarHBondContact O-N 3.13Å
166	L	93.4	Very high	93.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-47.5	-176.6	-63	-175.4	0	0	0	111.1	I33 K36 L37 F124 T158 G163 D164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.12Å; I33-L166 HydrophobicContact CG1-CD2 3.89Å; I33-L166 HydrophobicContact CG2-CD1 4.31Å; I33-L166 HydrophobicContact CG2-CD2 3.99Å; K36-L166 HydrophobicContact CB-CD1 4.24Å; K36-L166 HydrophobicContact CG-CD1 3.95Å; L37-L166 HydrophobicContact CD2-CB 4.32Å; L37-L166 HydrophobicContact CD2-CD1 4.4Å; F124-L166 HydrophobicContact CE1-CD2 4.49Å; F124-L166 HydrophobicContact CE2-CD2 4.31Å; F124-L166 HydrophobicContact CZ-CD2 4.23Å; T158-L166 HydrophobicContact CG2-CD2 3.95Å; G163-L166 WeakPolarHBondContact O-CB 3.27Å; G163-L166 WeakPolarHBondContact O-CG 3.44Å; G163-L166 PolarHBondContact O-N 3.39Å; D164-L166 PolarHBondContact O-N 2.97Å; L166-G169 PolarHBondContact O-N 3.36Å; L166-L170 VanDerWaalsContact O-CG 3.28Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.26Å
167	Y	91.1	Very high	93.2	Very high	104 Å²	104	35.7 Å²	35.7	41%	0.408	19%	0.192	S	C	.	.	H	α-helix	trans	-69.9	-35.8	-176.8	-69	-64.5	0	0	0	112.3	L37 Y58 L170 D171	L37-Y167 HydrophobicContact CD2-CE1 4.17Å; Y58-Y167 HydrophobicContact CD2-CD1 4.06Å; Y58-Y167 AromaticContact CD2-CE1 3.91Å; Y58-Y167 HydrophobicContact CD2-CE1 3.91Å; Y58-Y167 AromaticContact CE2-CD1 3.25Å; Y58-Y167 HydrophobicContact CE2-CD1 3.25Å; Y58-Y167 AromaticContact CE2-CE1 3.43Å; Y58-Y167 HydrophobicContact CE2-CE1 3.43Å; Y58-Y167 VanDerWaalsContact CE2-CE1 3.43Å; Y58-Y167 HydrophobicContact CE2-CG 4.49Å; Y58-Y167 AromaticContact CZ-CD1 3.68Å; Y167-L170 PolarHBondContact O-N 2.81Å; Y167-D171 VanDerWaalsContact O-CB 3.27Å; Y167-D171 WeakPolarHBondContact O-CB 3.28Å; Y167-D171 PolarHBondContact O-N 3.05Å
168	E	94.9	Very high	92.4	Very high	108 Å²	108	38.7 Å²	38.7	51%	0.505	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-45.7	176.4	-64.8	84.9	164.5	0	0	111.1	G165 D171 W172	G165-E168 WeakPolarHBondContact CA-OE2 3.1Å; G165-E168 PolarHBondContact N-OE2 3.21Å; E168-D171 PolarHBondContact O-N 2.79Å; E168-W172 PolarHBondContact O-N 2.76Å
169	G	95.5	Very high	91.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-43.2	175.8	0	0	0	0	0	112.4	L122 G165 L166 D171 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.41Å; G165-G169 PolarHBondContact O-N 3.13Å; L166-G169 PolarHBondContact O-N 3.36Å; G169-D171 VanDerWaalsContact C-N 3.34Å; G169-D171 PolarHBondContact O-N 3.01Å; G169-W172 PolarHBondContact O-N 3.47Å; G169-L173 PolarHBondContact O-N 3.39Å
170	L	91.3	Very high	89.9	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-34.5	177.3	-68.8	178.3	0	0	0	112.7	L37 Y58 F63 I89 F124 L166 Y167 L173 A174	L37-L170 HydrophobicContact CD1-CD1 3.77Å; L37-L170 HydrophobicContact CD2-CD1 3.53Å; L37-L170 HydrophobicContact CG-CD1 4.3Å; Y58-L170 HydrophobicContact CD1-CB 4.19Å; Y58-L170 HydrophobicContact CD1-CD1 4.41Å; Y58-L170 HydrophobicContact CE1-CB 3.99Å; Y58-L170 HydrophobicContact CG-CD1 4.44Å; F63-L170 HydrophobicContact CD1-CD2 4.36Å; F63-L170 HydrophobicContact CE1-CD2 3.68Å; F63-L170 HydrophobicContact CZ-CD2 4.22Å; I89-L170 HydrophobicContact CD1-CD2 3.82Å; F124-L170 HydrophobicContact CZ-CG 4.47Å; L166-L170 VanDerWaalsContact O-CG 3.28Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.26Å; Y167-L170 PolarHBondContact O-N 2.81Å; L170-L173 PolarHBondContact O-N 2.99Å; L170-A174 WeakPolarHBondContact O-CB 3.48Å; L170-A174 PolarHBondContact O-N 3.05Å
171	D	90.4	Very high	88	Confident	50 Å²	50	52.3 Å²	52.3	27%	0.267	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-42.6	175.8	-88.9	-5.3	0	0	0	112	Y58 K59 Y167 E168 G169 N175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.19Å; Y58-D171 PolarHBondContact OH-OD1 3.2Å; K59-D171 WeakPolarHBondContact CE-OD1 3.23Å; K59-D171 IonicContact NZ-OD1 3.17Å; K59-D171 PolarHBondContact NZ-OD1 3.14Å; K59-D171 IonicContact NZ-OD2 3.58Å; K59-D171 PolarHBondContact NZ-OD2 2.59Å; Y167-D171 VanDerWaalsContact O-CB 3.27Å; Y167-D171 WeakPolarHBondContact O-CB 3.28Å; Y167-D171 PolarHBondContact O-N 3.05Å; E168-D171 PolarHBondContact O-N 2.79Å; G169-D171 VanDerWaalsContact C-N 3.34Å; G169-D171 PolarHBondContact O-N 3.01Å; D171-N175 WeakPolarHBondContact O-CB 3.16Å; D171-N175 PolarHBondContact O-N 2.89Å; D171-N175 PolarHBondContact O-ND2 2.86Å; D171-N175 VanDerWaalsContact O-ND2 3.12Å
172	W	94.8	Very high	85.6	Confident	53 Å²	53	57.1 Å²	57.1	20%	0.201	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-50.8	170.4	176.9	91.5	0	0	0	111	V120 L121 L122 W153 Y154 E168 G169 A174 N175 Q176	V120-W172 HydrophobicContact CG1-CH2 3.47Å; V120-W172 VanDerWaalsContact CG1-CH2 3.47Å; V120-W172 HydrophobicContact CG1-CZ2 4.48Å; V120-W172 HydrophobicContact CG1-CZ3 3.62Å; L121-W172 WeakPolarHBondContact O-CH2 3.35Å; L121-W172 WeakPolarHBondContact O-CZ3 3.47Å; L122-W172 HydrophobicContact CB-CZ3 4.22Å; L122-W172 HydrophobicContact CD1-CE3 4.15Å; L122-W172 HydrophobicContact CD1-CZ3 4.48Å; W153-W172 VanDerWaalsContact C-CH2 3.43Å; Y154-W172 HydrophobicContact CD1-CB 3.97Å; Y154-W172 AromaticContact CD1-CD2 3.81Å; Y154-W172 HydrophobicContact CD1-CD2 3.81Å; Y154-W172 HydrophobicContact CD1-CE3 4.09Å; Y154-W172 AromaticContact CD1-CG 3.72Å; Y154-W172 HydrophobicContact CD1-CG 3.72Å; Y154-W172 HydrophobicContact CE1-CB 4.26Å; Y154-W172 HydrophobicContact CE1-CG 4.36Å; Y154-W172 AromaticContact CG-CD2 3.8Å; Y154-W172 HydrophobicContact CG-CD2 3.8Å; Y154-W172 AromaticContact CG-CE2 3.92Å; Y154-W172 HydrophobicContact CG-CE3 4.23Å; Y154-W172 AromaticContact CG-CG 3.97Å; Y154-W172 HydrophobicContact CG-CG 3.97Å; Y154-W172 HydrophobicContact CG-CZ2 4.44Å; E168-W172 PolarHBondContact O-N 2.76Å; G169-W172 PolarHBondContact O-N 3.47Å; W172-A174 PolarHBondContact O-N 3.05Å; W172-N175 PolarHBondContact O-N 2.73Å; W172-Q176 HydrophobicContact CD2-CG 3.9Å; W172-Q176 HydrophobicContact CE3-CG 4.21Å; W172-Q176 HydrophobicContact CH2-CG 3.85Å; W172-Q176 HydrophobicContact CZ2-CG 3.49Å; W172-Q176 VanDerWaalsContact CZ2-CG 3.49Å; W172-Q176 HydrophobicContact CZ3-CG 4.19Å; W172-Q176 WeakPolarHBondContact O-CG 3.22Å; W172-Q176 PolarHBondContact O-N 3.21Å
173	L	91.9	Very high	82.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-46.2	-178	-179.2	61.4	0	0	0	111.5	I20 F63 I89 V120 L122 G169 L170 N175 Q176 L177	I20-L173 HydrophobicContact CD1-CD2 4.04Å; I20-L173 HydrophobicContact CG2-CD2 4.13Å; F63-L173 HydrophobicContact CE1-CD2 4.46Å; I89-L173 HydrophobicContact CD1-CD2 4Å; I89-L173 HydrophobicContact CG1-CD2 3.84Å; V120-L173 HydrophobicContact CB-CD1 3.95Å; V120-L173 HydrophobicContact CG1-CD1 3.71Å; L122-L173 HydrophobicContact CB-CD2 4.43Å; L122-L173 HydrophobicContact CD2-CB 4.25Å; L122-L173 HydrophobicContact CD2-CD2 4.28Å; G169-L173 PolarHBondContact O-N 3.39Å; L170-L173 PolarHBondContact O-N 2.99Å; L173-N175 VanDerWaalsContact C-N 3.29Å; L173-N175 PolarHBondContact O-N 2.7Å; L173-Q176 PolarHBondContact O-N 2.65Å; L173-L177 HydrophobicContact CD1-CD1 4.14Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 4Å; L173-L177 HydrophobicContact CG-CG 4.45Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.39Å; L173-L177 PolarHBondContact O-N 3.44Å
174	A	87.3	Confident	82.3	Confident	3 Å²	3	66.2 Å²	66.2	3%	0.025	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-41.1	177.2	0	0	0	0	0	112.1	I61 L170 W172 K178	I61-A174 HydrophobicContact CD1-CB 3.48Å; I61-A174 VanDerWaalsContact CD1-CB 3.48Å; L170-A174 WeakPolarHBondContact O-CB 3.48Å; L170-A174 PolarHBondContact O-N 3.05Å; W172-A174 PolarHBondContact O-N 3.05Å; A174-K178 VanDerWaalsContact O-CG 3.31Å; A174-K178 WeakPolarHBondContact O-CG 3.43Å; A174-K178 PolarHBondContact O-N 2.81Å; A174-K178 VanDerWaalsContact O-N 3.1Å
175	N	89.4	Confident	81.6	Confident	83 Å²	83	64.1 Å²	64.1	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-67.9	-42.6	177.9	-71.7	-26.1	0	0	0	111.9	D171 W172 L173 L177 K178 N179	D171-N175 WeakPolarHBondContact O-CB 3.16Å; D171-N175 PolarHBondContact O-N 2.89Å; D171-N175 PolarHBondContact O-ND2 2.86Å; D171-N175 VanDerWaalsContact O-ND2 3.12Å; W172-N175 PolarHBondContact O-N 2.73Å; L173-N175 VanDerWaalsContact C-N 3.29Å; L173-N175 PolarHBondContact O-N 2.7Å; N175-L177 VanDerWaalsContact C-N 3.35Å; N175-L177 PolarHBondContact O-N 3.49Å; N175-K178 PolarHBondContact O-N 2.84Å; N175-N179 VanDerWaalsContact O-CG 3.31Å; N175-N179 PolarHBondContact O-N 2.9Å; N175-N179 VanDerWaalsContact O-N 3.12Å; N175-N179 PolarHBondContact O-ND2 3.37Å
176	Q	91.4	Very high	80.7	Confident	50 Å²	50	67.3 Å²	67.3	23%	0.234	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-43.3	175.5	-64.8	-52.1	-39.6	0	0	112.2	V120 W172 L173 K178 N179 K180	V120-Q176 HydrophobicContact CG1-CB 3.84Å; V120-Q176 HydrophobicContact CG1-CG 4.17Å; V120-Q176 HydrophobicContact CG2-CB 4.2Å; W172-Q176 HydrophobicContact CD2-CG 3.9Å; W172-Q176 HydrophobicContact CE3-CG 4.21Å; W172-Q176 HydrophobicContact CH2-CG 3.85Å; W172-Q176 HydrophobicContact CZ2-CG 3.49Å; W172-Q176 VanDerWaalsContact CZ2-CG 3.49Å; W172-Q176 HydrophobicContact CZ3-CG 4.19Å; W172-Q176 WeakPolarHBondContact O-CG 3.22Å; W172-Q176 PolarHBondContact O-N 3.21Å; L173-Q176 PolarHBondContact O-N 2.65Å; Q176-K178 VanDerWaalsContact C-N 3.32Å; Q176-K178 PolarHBondContact O-N 3.18Å; Q176-N179 PolarHBondContact O-N 3.47Å; Q176-K180 PolarHBondContact O-N 2.84Å; Q176-K180 VanDerWaalsContact O-N 3.08Å
177	L	86.4	Confident	80	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-69.6	-27.1	-179.6	-66	176.6	0	0	0	113.5	M18 I20 Q86 V120 L173 N175	M18-L177 HydrophobicContact CB-CD1 4.5Å; M18-L177 HydrophobicContact CE-CB 4.2Å; I20-L177 HydrophobicContact CD1-CD1 3.69Å; I20-L177 HydrophobicContact CG1-CD1 4.11Å; Q86-L177 HydrophobicContact CB-CD2 4.02Å; Q86-L177 VanDerWaalsContact O-CD2 3.22Å; Q86-L177 WeakPolarHBondContact O-CD2 3.06Å; V120-L177 HydrophobicContact CB-CD2 4.2Å; V120-L177 HydrophobicContact CG2-CD2 3.85Å; L173-L177 HydrophobicContact CD1-CD1 4.14Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 4Å; L173-L177 HydrophobicContact CG-CG 4.45Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.39Å; L173-L177 PolarHBondContact O-N 3.44Å; N175-L177 VanDerWaalsContact C-N 3.35Å; N175-L177 PolarHBondContact O-N 3.49Å
178	K	82.2	Confident	79.3	Confident	101 Å²	101	69.2 Å²	69.2	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-69.6	-47.9	171	-76	172.2	-177	175.5	0	111.1	A174 N175 Q176 K180 K181	A174-K178 VanDerWaalsContact O-CG 3.31Å; A174-K178 WeakPolarHBondContact O-CG 3.43Å; A174-K178 PolarHBondContact O-N 2.81Å; A174-K178 VanDerWaalsContact O-N 3.1Å; N175-K178 PolarHBondContact O-N 2.84Å; Q176-K178 VanDerWaalsContact C-N 3.32Å; Q176-K178 PolarHBondContact O-N 3.18Å; K178-K180 PolarHBondContact O-N 3.48Å; K178-K181 PolarHBondContact O-N 3.21Å
179	N	74.6	Confident	78.2	Confident	96 Å²	96	66.6 Å²	66.6	51%	0.513	34%	0.341	S	S	.	.	H	α-helix	trans	-67.7	-33.5	-175.2	-67	-14.5	0	0	0	112.8	N175 Q176 K181 M182	N175-N179 VanDerWaalsContact O-CG 3.31Å; N175-N179 PolarHBondContact O-N 2.9Å; N175-N179 VanDerWaalsContact O-N 3.12Å; N175-N179 PolarHBondContact O-ND2 3.37Å; Q176-N179 PolarHBondContact O-N 3.47Å; N179-K181 PolarHBondContact O-N 3.23Å; N179-K181 VanDerWaalsContact O-N 3.12Å; N179-M182 PolarHBondContact O-N 3.19Å; N179-M182 VanDerWaalsContact O-N 3.14Å
180	K	67.8	Low	77	Confident	92 Å²	92	71.4 Å²	71.4	40%	0.4	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.4	179.6	-156.7	-179.7	-175.4	-170.9	0	114.2	D118 Q176 K178	D118-K180 VanDerWaalsContact CG-NZ 3.33Å; D118-K180 PolarHBondContact O-NZ 3Å; D118-K180 IonicContact OD1-NZ 2.9Å; D118-K180 PolarHBondContact OD1-NZ 2.99Å; Q176-K180 PolarHBondContact O-N 2.84Å; Q176-K180 VanDerWaalsContact O-N 3.08Å; K178-K180 PolarHBondContact O-N 3.48Å
181	K	53.9	Low	75.9	Confident	112 Å²	112	76.7 Å²	76.7	49%	0.487	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	1	179.4	-56.8	-132.9	-160.3	178.4	0	114	K178 N179	K178-K181 PolarHBondContact O-N 3.21Å; N179-K181 PolarHBondContact O-N 3.23Å; N179-K181 VanDerWaalsContact O-N 3.12Å
182	M	43.1	Very low	74.7	Confident	168 Å²	168	78.9 Å²	78.9	83%	0.828	40%	0.403	S	S	*	.			trans	-92.7	-0.3	177.4	-83.8	-172	68.1	0	0	113.9	N179	N179-M182 PolarHBondContact O-N 3.19Å; N179-M182 VanDerWaalsContact O-N 3.14Å
183	C	33.6	Very low	72.9	Confident	185 Å²	185	81.3 Å²	81.3	100%	1.25	42%	0.422	S	S	*	.			trans	-109.1	0	171.5	-64.4	0	0	0	0	110.5

Retrieved 183 of 183 residues in 37.9 ms (Link to these results)

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