A0A096NVF7_PAPAN Loading...

tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6

Substrate-binding subunit of tRNA (adenine-N1-)-methyltransferase, which catalyzes the formation of N1-methyladenine at position 58 (m1A58) in initiator methionyl-tRNA.

AlphaFold DB , UniProt , Accession A0A096NVF7, Species PAPAN (Papio anubis, Olive baboon), Gene TRMT6, Length 497 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	43.1	Very low	38.5	Very low	249 Å²	249	142.2 Å²	142.2	100%	1.227	84%	0.844	S	S	*	*				0	86.7	0	-79.3	179.3	172	0	0	106.6
2	E	33.3	Very low	38.3	Very low	197 Å²	197	140 Å²	140	92%	0.921	84%	0.836	S	S	*	*			trans	-79	120.1	177.5	-72.6	175.9	150.5	0	0	108.2	S4	E2-S4 PolarHBondContact O-N 2.67Å
3	G	34.3	Very low	38.1	Very low	83 Å²	83	143.9 Å²	143.9	86%	0.856	84%	0.841	S	S	*	*			trans	-74.6	109.6	175.2	0	0	0	0	0	109.6	G5	G3-G5 PolarHBondContact O-N 2.96Å
4	S	37.5	Very low	38.2	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	83%	0.834	S	S	*	*			trans	-67.6	110.6	171.6	49.2	0	0	0	0	109.5	E2 E6	E2-S4 PolarHBondContact O-N 2.67Å; S4-E6 PolarHBondContact O-N 2.85Å
5	G	35.7	Very low	38.8	Very low	72 Å²	72	142.8 Å²	142.8	74%	0.742	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-63.5	117.3	169.4	0	0	0	0	0	110.5	G3 Q7	G3-G5 PolarHBondContact O-N 2.96Å; G5-Q7 PolarHBondContact O-N 2.96Å
6	E	39.4	Very low	39.4	Very low	193 Å²	193	137.6 Å²	137.6	90%	0.902	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-60	118.7	167.3	-76.5	-179.1	143.8	0	0	108.9	S4	S4-E6 PolarHBondContact O-N 2.85Å
7	Q	40.8	Very low	40.3	Very low	179 Å²	179	134.3 Å²	134.3	84%	0.836	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.8	133.8	166.6	-74.3	-173.4	-18.7	0	0	108.4	G5 G9	G5-Q7 PolarHBondContact O-N 2.96Å; Q7-G9 PolarHBondContact O-N 3.19Å; Q7-G9 VanDerWaalsContact O-N 3.08Å
8	P	40.3	Very low	42.2	Very low	128 Å²	128	134.2 Å²	134.2	83%	0.831	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.4	173.4	23.3	-29.9	0	0	0	108.4
9	G	45.6	Very low	44.9	Very low	53 Å²	53	133.7 Å²	133.7	55%	0.546	76%	0.764	S	S	.	*	P	Polyproline II helix	trans	-53.9	157.5	174.9	0	0	0	0	0	111.3	Q7 Q11	Q7-G9 PolarHBondContact O-N 3.19Å; Q7-G9 VanDerWaalsContact O-N 3.08Å; G9-Q11 PolarHBondContact O-N 2.98Å
10	P	38.2	Very low	47.5	Very low	133 Å²	133	127.1 Å²	127.1	86%	0.864	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-54.8	117.5	-178.4	22.6	-31.5	0	0	0	109.2
11	Q	34.9	Very low	49.8	Very low	164 Å²	164	127 Å²	127	77%	0.766	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-51.4	135.9	172.1	-76.8	175.6	-22.8	0	0	108.5	G9 Q13	G9-Q11 PolarHBondContact O-N 2.98Å; Q11-Q13 PolarHBondContact O-N 3.27Å; Q11-Q13 VanDerWaalsContact O-N 3.15Å
12	P	36.3	Very low	52.3	Low	116 Å²	116	119 Å²	119	75%	0.753	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-54.4	126.7	173.1	22.2	-31.4	0	0	0	108.2	H14	P12-H14 PolarHBondContact O-N 3.12Å
13	Q	36.4	Very low	55.3	Low	191 Å²	191	111.1 Å²	111.1	89%	0.893	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-49.3	120.8	176	-69	179.6	1.1	0	0	108.3	Q11	Q11-Q13 PolarHBondContact O-N 3.27Å; Q11-Q13 VanDerWaalsContact O-N 3.15Å
14	H	39.1	Very low	58.3	Low	162 Å²	162	109.3 Å²	109.3	75%	0.75	62%	0.619	S	S	*	*			trans	-44.1	140.1	169	-76.1	-79.7	0	0	0	109.4	P12 G16	P12-H14 PolarHBondContact O-N 3.12Å; H14-G16 WeakPolarHBondContact O-CA 3.09Å; H14-G16 PolarHBondContact O-N 3.48Å
15	P	47.1	Very low	61.1	Low	109 Å²	109	107 Å²	107	71%	0.708	60%	0.595	S	S	*	*	S	Bend	trans	-52.4	109.3	-175.2	20.1	-30.4	0	0	0	109.2	D17	P15-D17 PolarHBondContact O-N 3.27Å
16	G	49.2	Very low	64.1	Low	59 Å²	59	103.6 Å²	103.6	61%	0.608	56%	0.56	S	S	*	*			trans	-61.2	124.5	-158.7	0	0	0	0	0	112.9	H14 H18	H14-G16 WeakPolarHBondContact O-CA 3.09Å; H14-G16 PolarHBondContact O-N 3.48Å; G16-H18 PolarHBondContact O-N 3.21Å
17	D	54.3	Low	66.9	Low	82 Å²	82	94.4 Å²	94.4	44%	0.439	52%	0.517	S	S	.	.			trans	29.3	92.2	147.3	-164.1	24.1	0	0	0	115.6	P15 R19 R21	P15-D17 PolarHBondContact O-N 3.27Å; D17-R19 PolarHBondContact O-N 3.41Å; D17-R19 VanDerWaalsContact OD1-CD 3.23Å; D17-R19 WeakPolarHBondContact OD1-CD 3.27Å; D17-R19 WeakPolarHBondContact OD1-CG 3.26Å; D17-R19 IonicContact OD1-NE 2.6Å; D17-R21 VanDerWaalsContact CB-NH2 3.31Å; D17-R21 IonicContact OD2-CZ 3.64Å; D17-R21 IonicContact OD2-NE 2.83Å; D17-R21 IonicContact OD2-NH2 2.94Å; D17-R21 PolarHBondContact OD2-NH2 2.97Å
18	H	74.4	Confident	69.6	Low	133 Å²	133	85.9 Å²	85.9	62%	0.616	48%	0.477	S	S	*	.			trans	-69.2	29.9	179.9	-62.2	-69.8	0	0	0	114.7	G16 Y62	G16-H18 PolarHBondContact O-N 3.21Å; H18-Y62 WeakPolarHBondContact O-CD2 3.32Å; H18-Y62 PolarHBondContact O-N 2.89Å
19	R	93.8	Very high	72.4	Confident	124 Å²	124	83.3 Å²	83.3	47%	0.468	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-102.5	150.4	-176.7	-67.2	178.3	-179.4	-117.3	5.9	111.1	D17 G59 H60	D17-R19 PolarHBondContact O-N 3.41Å; D17-R19 VanDerWaalsContact OD1-CD 3.23Å; D17-R19 WeakPolarHBondContact OD1-CD 3.27Å; D17-R19 WeakPolarHBondContact OD1-CG 3.26Å; D17-R19 IonicContact OD1-NE 2.6Å; R19-G59 VanDerWaalsContact CD-O 3.28Å; R19-G59 WeakPolarHBondContact CD-O 3.46Å; R19-G59 PolarHBondContact NH1-O 2.86Å; R19-H60 CarbonylContact C-O 3.58Å; R19-H60 VanDerWaalsContact CA-O 3.28Å; R19-H60 WeakPolarHBondContact CA-O 3.38Å
20	I	96.2	Very high	74.7	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.005	43%	0.432	C	S	.	.			trans	-69.8	132.5	176.8	-60.7	158.1	0	0	0	108.9	V26 V39 V57 G59 H60 Y62 V160	I20-V26 HydrophobicContact CG2-CG1 4.4Å; I20-V39 HydrophobicContact CG2-CG2 4.14Å; I20-V57 HydrophobicContact CD1-CB 4.46Å; I20-V57 HydrophobicContact CG2-CG2 3.94Å; I20-G59 PolarHBondContact O-N 2.91Å; I20-H60 WeakPolarHBondContact CG1-O 3.37Å; I20-H60 PolarHBondContact N-O 3.49Å; I20-Y62 HydrophobicContact CG1-CD1 3.97Å; I20-Y62 HydrophobicContact CG1-CD2 4.35Å; I20-Y62 HydrophobicContact CG1-CE1 3.91Å; I20-Y62 HydrophobicContact CG1-CE2 4.23Å; I20-Y62 HydrophobicContact CG1-CG 4.22Å; I20-V160 HydrophobicContact CD1-CB 3.88Å; I20-V160 HydrophobicContact CD1-CG1 3.66Å; I20-V160 HydrophobicContact CG1-CG1 4.29Å
21	R	96.1	Very high	77.2	Confident	126 Å²	126	80.2 Å²	80.2	48%	0.475	41%	0.411	S	S	.	.			trans	-122	163.9	178.2	-62.9	175	175.9	-172.6	-6	111.6	D17 D24	D17-R21 VanDerWaalsContact CB-NH2 3.31Å; D17-R21 IonicContact OD2-CZ 3.64Å; D17-R21 IonicContact OD2-NE 2.83Å; D17-R21 IonicContact OD2-NH2 2.94Å; D17-R21 PolarHBondContact OD2-NH2 2.97Å; R21-D24 PolarHBondContact N-OD2 3.28Å; R21-D24 WeakPolarHBondContact O-CB 3.43Å; R21-D24 PolarHBondContact O-N 3.4Å
22	D	96.3	Very high	79.9	Confident	80 Å²	80	78 Å²	78	43%	0.428	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	140.3	169.7	-169.1	38.5	0	0	0	109.9	D24 Q40 R41 I58	D22-D24 VanDerWaalsContact C-N 3.26Å; D22-D24 PolarHBondContact O-N 3.08Å; D22-Q40 WeakPolarHBondContact OD1-CA 3.36Å; D22-R41 PolarHBondContact OD1-N 3.15Å; D22-I58 HydrophobicContact CB-CD1 4.01Å
23	G	95.4	Very high	82.8	Confident	32 Å²	32	74.9 Å²	74.9	33%	0.33	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-13.5	-174.3	0	0	0	0	0	115.4	Q38 V39	G23-Q38 WeakPolarHBondContact O-CG 3.45Å; G23-Q38 PolarHBondContact O-NE2 3.37Å; G23-V39 VanDerWaalsContact CA-O 3.24Å; G23-V39 WeakPolarHBondContact CA-O 3.33Å; G23-V39 PolarHBondContact N-O 2.98Å
24	D	96.6	Very high	85.7	Confident	46 Å²	46	66.8 Å²	66.8	25%	0.246	35%	0.345	C	S	.	.			trans	-62.3	139.5	178	-79.3	-1.7	0	0	0	111.2	R21 D22 V26 Q38 V39 Y62	R21-D24 PolarHBondContact N-OD2 3.28Å; R21-D24 WeakPolarHBondContact O-CB 3.43Å; R21-D24 PolarHBondContact O-N 3.4Å; D22-D24 VanDerWaalsContact C-N 3.26Å; D22-D24 PolarHBondContact O-N 3.08Å; D24-V26 HydrophobicContact CB-CG1 4.05Å; D24-Q38 WeakPolarHBondContact O-CA 3.49Å; D24-V39 PolarHBondContact O-N 3.31Å; D24-Y62 PolarHBondContact OD2-OH 3.2Å
25	F	97.6	Very high	88.5	Confident	64 Å²	64	60.5 Å²	60.5	28%	0.281	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.3	162.6	-72	-86.7	0	0	0	109.2	Q38 P163 A242	F25-Q38 HydrophobicContact CD1-CB 4.08Å; F25-Q38 HydrophobicContact CD1-CG 4.34Å; F25-Q38 HydrophobicContact CE1-CB 3.95Å; F25-Q38 HydrophobicContact CE1-CG 4.19Å; F25-Q38 HydrophobicContact CE2-CG 4.45Å; F25-Q38 HydrophobicContact CZ-CB 4.46Å; F25-Q38 HydrophobicContact CZ-CG 4.25Å; F25-P163 HydrophobicContact CB-CG 4.42Å; F25-P163 VanDerWaalsContact O-CD 3.23Å; F25-P163 WeakPolarHBondContact O-CD 3.25Å; F25-P163 WeakPolarHBondContact O-CG 3.39Å; F25-A242 WeakPolarHBondContact CD2-O 3.41Å; F25-A242 WeakPolarHBondContact CG-O 3.15Å; F25-A242 HydrophobicContact CZ-CB 4.47Å
26	V	98.1	Very high	91	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	164	-177.5	-54.4	0	0	0	0	110.9	I20 D24 L28 A36 V37 V39 Y62 V160	I20-V26 HydrophobicContact CG2-CG1 4.4Å; D24-V26 HydrophobicContact CB-CG1 4.05Å; V26-L28 HydrophobicContact CG2-CD2 4.42Å; V26-A36 WeakPolarHBondContact O-CA 3.45Å; V26-V37 HydrophobicContact CG2-CG2 3.65Å; V26-V37 PolarHBondContact N-O 2.9Å; V26-V37 PolarHBondContact O-N 3.42Å; V26-V37 VanDerWaalsContact O-O 3.05Å; V26-V39 HydrophobicContact CB-CG2 4.41Å; V26-V39 HydrophobicContact CG1-CG2 3.73Å; V26-V39 HydrophobicContact CG2-CG2 3.73Å; V26-Y62 HydrophobicContact CB-CE1 4.43Å; V26-Y62 HydrophobicContact CG1-CE1 3.78Å; V26-V160 HydrophobicContact CB-CG1 3.86Å; V26-V160 HydrophobicContact CG1-CG1 4.21Å; V26-V160 HydrophobicContact CG2-CG1 3.98Å
27	V	98.4	Very high	93.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.2	171.2	-173.2	0	0	0	0	109.7	F34 A36 V161 P163 I167 L168 M171	V27-F34 HydrophobicContact CG1-CB 3.92Å; V27-F34 HydrophobicContact CG1-CD1 3.88Å; V27-F34 HydrophobicContact CG1-CG 4.39Å; V27-A36 HydrophobicContact CG2-CB 4.26Å; V27-V161 HydrophobicContact CB-CG2 3.92Å; V27-V161 HydrophobicContact CG1-CG2 4.44Å; V27-V161 PolarHBondContact N-O 3.38Å; V27-V161 WeakPolarHBondContact O-CG2 3.19Å; V27-V161 PolarHBondContact O-N 3.27Å; V27-P163 HydrophobicContact CG2-CB 4.28Å; V27-P163 HydrophobicContact CG2-CG 4.22Å; V27-I167 HydrophobicContact CB-CG2 3.93Å; V27-I167 HydrophobicContact CG1-CG2 3.66Å; V27-I167 HydrophobicContact CG2-CG2 3.92Å; V27-L168 HydrophobicContact CG2-CD2 3.86Å; V27-M171 HydrophobicContact CG1-SD 4.43Å
28	L	98.1	Very high	95.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.2	172	-51	-177.7	0	0	0	108.8	V26 F34 K35 V37 V45 F47 F52 L54 I158 V160	V26-L28 HydrophobicContact CG2-CD2 4.42Å; L28-F34 CarbonylContact O-C 3.51Å; L28-F34 VanDerWaalsContact O-CA 3.27Å; L28-F34 WeakPolarHBondContact O-CA 3.35Å; L28-K35 PolarHBondContact N-O 3.41Å; L28-K35 PolarHBondContact O-N 2.99Å; L28-V37 HydrophobicContact CD1-CG1 4.23Å; L28-V37 HydrophobicContact CD1-CG2 4.01Å; L28-V37 HydrophobicContact CD2-CG2 4.14Å; L28-V37 HydrophobicContact CG-CG2 3.85Å; L28-V45 HydrophobicContact CD1-CG1 4.12Å; L28-F47 HydrophobicContact CB-CD1 4.07Å; L28-F47 HydrophobicContact CB-CE1 3.97Å; L28-F47 HydrophobicContact CB-CG 4.5Å; L28-F47 HydrophobicContact CB-CZ 4.32Å; L28-F47 HydrophobicContact CD1-CB 4.38Å; L28-F47 HydrophobicContact CD1-CD1 4.45Å; L28-F47 HydrophobicContact CD1-CG 4.42Å; L28-F52 HydrophobicContact CD1-CE2 3.77Å; L28-F52 HydrophobicContact CD1-CZ 3.65Å; L28-L54 HydrophobicContact CD2-CD2 4.19Å; L28-I158 HydrophobicContact CB-CG2 4.3Å; L28-I158 HydrophobicContact CD2-CG2 4.48Å; L28-V160 HydrophobicContact CD2-CG2 3.99Å
29	K	97.6	Very high	96.4	Very high	74 Å²	74	47 Å²	47	32%	0.322	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130	177.8	179.3	-173.6	177.4	-175.8	0	110	E31 V33 F34 I158 T159	K29-E31 WeakPolarHBondContact CE-O 3.42Å; K29-E31 WeakPolarHBondContact CG-O 3.31Å; K29-V33 WeakPolarHBondContact CA-O 3.41Å; K29-F34 HydrophobicContact CB-CD1 3.98Å; K29-F34 HydrophobicContact CB-CE1 3.9Å; K29-F34 HydrophobicContact CD-CE1 3.71Å; K29-F34 HydrophobicContact CD-CZ 4.03Å; K29-F34 HydrophobicContact CG-CD1 4.09Å; K29-F34 HydrophobicContact CG-CE1 3.64Å; K29-F34 HydrophobicContact CG-CZ 4.1Å; K29-I158 CarbonylContact O-C 3.5Å; K29-I158 WeakPolarHBondContact O-CA 3.27Å; K29-T159 PolarHBondContact N-O 3.5Å; K29-T159 PolarHBondContact O-N 3.18Å
30	R	94.5	Very high	96.5	Very high	31 Å²	31	44.1 Å²	44.1	12%	0.117	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	119.1	164.9	177.2	175.3	179.7	-174.2	-0.4	107.6	D32 V33 F47 E48 K152	R30-D32 PolarHBondContact O-N 2.87Å; R30-V33 PolarHBondContact N-O 2.99Å; R30-V33 WeakPolarHBondContact O-CB 3.4Å; R30-V33 PolarHBondContact O-N 2.94Å; R30-F47 HydrophobicContact CB-CE1 3.6Å; R30-F47 HydrophobicContact CB-CZ 4.02Å; R30-E48 HydrophobicContact CB-CG 4.44Å; R30-K152 PolarHBondContact NH2-O 3.03Å
31	E	90.9	Very high	96.5	Very high	90 Å²	90	51.7 Å²	51.7	42%	0.421	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-123.3	-168.4	-61.5	-71.3	175.8	0	0	110.5	K29 K152	K29-E31 WeakPolarHBondContact CE-O 3.42Å; K29-E31 WeakPolarHBondContact CG-O 3.31Å; E31-K152 HydrophobicContact CG-CD 4.3Å; E31-K152 HydrophobicContact CG-CG 4.17Å
32	D	92.2	Very high	96.3	Very high	117 Å²	117	55.9 Å²	55.9	63%	0.626	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	8.6	176.8	-62.7	-41.9	0	0	0	112.8	R30 F34	R30-D32 PolarHBondContact O-N 2.87Å; D32-F34 WeakPolarHBondContact O-CD2 3.48Å; D32-F34 WeakPolarHBondContact O-CE2 3.48Å
33	V	96.4	Very high	96.3	Very high	50 Å²	50	56.5 Å²	56.5	30%	0.303	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136	179.4	-173.2	0	0	0	0	110.3	K29 R30 F47 E48	K29-V33 WeakPolarHBondContact CA-O 3.41Å; R30-V33 PolarHBondContact N-O 2.99Å; R30-V33 WeakPolarHBondContact O-CB 3.4Å; R30-V33 PolarHBondContact O-N 2.94Å; V33-F47 HydrophobicContact CG1-CE2 4.05Å; V33-F47 HydrophobicContact CG1-CZ 4.32Å; V33-E48 HydrophobicContact CG1-CG 4.35Å
34	F	97.9	Very high	96.2	Very high	22 Å²	22	60.6 Å²	60.6	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146	-178.5	-61.2	-89.1	0	0	0	111.8	V27 L28 K29 D32 I167 I170 M171 R175	V27-F34 HydrophobicContact CG1-CB 3.92Å; V27-F34 HydrophobicContact CG1-CD1 3.88Å; V27-F34 HydrophobicContact CG1-CG 4.39Å; L28-F34 CarbonylContact O-C 3.51Å; L28-F34 VanDerWaalsContact O-CA 3.27Å; L28-F34 WeakPolarHBondContact O-CA 3.35Å; K29-F34 HydrophobicContact CB-CD1 3.98Å; K29-F34 HydrophobicContact CB-CE1 3.9Å; K29-F34 HydrophobicContact CD-CE1 3.71Å; K29-F34 HydrophobicContact CD-CZ 4.03Å; K29-F34 HydrophobicContact CG-CD1 4.09Å; K29-F34 HydrophobicContact CG-CE1 3.64Å; K29-F34 HydrophobicContact CG-CZ 4.1Å; D32-F34 WeakPolarHBondContact O-CD2 3.48Å; D32-F34 WeakPolarHBondContact O-CE2 3.48Å; F34-I167 HydrophobicContact CD1-CG2 3.75Å; F34-I167 HydrophobicContact CE1-CG2 4.01Å; F34-I167 HydrophobicContact CG-CG2 4.44Å; F34-I170 HydrophobicContact CD2-CG2 4.13Å; F34-I170 HydrophobicContact CE2-CG2 3.89Å; F34-M171 HydrophobicContact CB-CB 3.7Å; F34-M171 HydrophobicContact CB-CG 3.71Å; F34-M171 HydrophobicContact CB-SD 4.31Å; F34-M171 HydrophobicContact CG-CB 4.49Å; F34-R175 PolarHBondContact O-NE 3.07Å
35	K	98.2	Very high	96.1	Very high	30 Å²	30	59 Å²	59	13%	0.13	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.3	168	-175.7	173.1	179.3	173.5	0	109.7	L28 V37 T46 F47 E322	L28-K35 PolarHBondContact N-O 3.41Å; L28-K35 PolarHBondContact O-N 2.99Å; K35-V37 HydrophobicContact CG-CG1 4.24Å; K35-T46 WeakPolarHBondContact CD-O 3.23Å; K35-T46 WeakPolarHBondContact CE-O 3.46Å; K35-T46 PolarHBondContact NZ-O 2.91Å; K35-T46 PolarHBondContact NZ-OG1 3.04Å; K35-F47 HydrophobicContact CB-CD2 3.49Å; K35-F47 VanDerWaalsContact CB-CD2 3.49Å; K35-F47 HydrophobicContact CB-CE2 3.51Å; K35-F47 HydrophobicContact CB-CG 4.47Å; K35-F47 HydrophobicContact CB-CZ 4.5Å; K35-F47 HydrophobicContact CD-CD2 3.98Å; K35-F47 HydrophobicContact CG-CD2 4.33Å; K35-E322 IonicContact NZ-OE2 3.44Å; K35-E322 PolarHBondContact NZ-OE2 3.44Å
36	A	98.1	Very high	96	Very high	15 Å²	15	58.7 Å²	58.7	12%	0.124	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	138	174.8	0	0	0	0	0	110.5	V26 V27 L168 M171 C243	V26-A36 WeakPolarHBondContact O-CA 3.45Å; V27-A36 HydrophobicContact CG2-CB 4.26Å; A36-L168 HydrophobicContact CB-CD2 4.18Å; A36-M171 HydrophobicContact CB-CE 3.77Å; A36-M171 HydrophobicContact CB-SD 3.75Å; A36-M171 PolarHBondContact N-SD 3.34Å; A36-C243 HydrophobicContact CB-CB 4.19Å
37	V	97.8	Very high	95.8	Very high	20 Å²	20	58.9 Å²	58.9	12%	0.121	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	156.2	-180	-61.5	0	0	0	0	110.1	V26 L28 K35 V45 L54	V26-V37 HydrophobicContact CG2-CG2 3.65Å; V26-V37 PolarHBondContact N-O 2.9Å; V26-V37 PolarHBondContact O-N 3.42Å; V26-V37 VanDerWaalsContact O-O 3.05Å; L28-V37 HydrophobicContact CD1-CG1 4.23Å; L28-V37 HydrophobicContact CD1-CG2 4.01Å; L28-V37 HydrophobicContact CD2-CG2 4.14Å; L28-V37 HydrophobicContact CG-CG2 3.85Å; K35-V37 HydrophobicContact CG-CG1 4.24Å; V37-V45 HydrophobicContact CG1-CG1 3.87Å; V37-L54 HydrophobicContact CG2-CD1 3.85Å
38	Q	97.7	Very high	95.5	Very high	64 Å²	64	62.5 Å²	62.5	30%	0.299	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.8	165.6	-166.7	-178.5	23.1	0	0	109.1	G23 D24 F25 Q40	G23-Q38 WeakPolarHBondContact O-CG 3.45Å; G23-Q38 PolarHBondContact O-NE2 3.37Å; D24-Q38 WeakPolarHBondContact O-CA 3.49Å; F25-Q38 HydrophobicContact CD1-CB 4.08Å; F25-Q38 HydrophobicContact CD1-CG 4.34Å; F25-Q38 HydrophobicContact CE1-CB 3.95Å; F25-Q38 HydrophobicContact CE1-CG 4.19Å; F25-Q38 HydrophobicContact CE2-CG 4.45Å; F25-Q38 HydrophobicContact CZ-CB 4.46Å; F25-Q38 HydrophobicContact CZ-CG 4.25Å; Q38-Q40 HydrophobicContact CG-CG 4.44Å; Q38-Q40 PolarHBondContact O-N 2.84Å
39	V	96.9	Very high	95	Very high	0 Å²	0	72 Å²	72	0%	0	33%	0.327	C	S	.	.			trans	-67.3	121.9	173.6	-178.7	0	0	0	0	108.2	I20 G23 D24 V26 L54 I58	I20-V39 HydrophobicContact CG2-CG2 4.14Å; G23-V39 VanDerWaalsContact CA-O 3.24Å; G23-V39 WeakPolarHBondContact CA-O 3.33Å; G23-V39 PolarHBondContact N-O 2.98Å; D24-V39 PolarHBondContact O-N 3.31Å; V26-V39 HydrophobicContact CB-CG2 4.41Å; V26-V39 HydrophobicContact CG1-CG2 3.73Å; V26-V39 HydrophobicContact CG2-CG2 3.73Å; V39-L54 HydrophobicContact CG1-CB 4.26Å; V39-L54 HydrophobicContact CG2-CD1 4.38Å; V39-I58 HydrophobicContact CG1-CD1 4.3Å; V39-I58 HydrophobicContact CG1-CG1 4.06Å
40	Q	96.5	Very high	94.6	Very high	63 Å²	63	71.1 Å²	71.1	29%	0.294	32%	0.324	S	S	.	.			trans	-141.1	128.2	175	-67.6	-178.2	-18.5	0	0	107.9	D22 Q38 K43	D22-Q40 WeakPolarHBondContact OD1-CA 3.36Å; Q38-Q40 HydrophobicContact CG-CG 4.44Å; Q38-Q40 PolarHBondContact O-N 2.84Å; Q40-K43 HydrophobicContact CB-CB 3.92Å; Q40-K43 HydrophobicContact CB-CD 3.97Å; Q40-K43 HydrophobicContact CG-CD 4.41Å; Q40-K43 WeakPolarHBondContact O-CB 3.32Å; Q40-K43 PolarHBondContact O-N 2.85Å
41	R	94.8	Very high	94.4	Very high	160 Å²	160	74.7 Å²	74.7	60%	0.604	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	140	175.8	-69.8	-171.6	178.5	-145.7	-0.5	112.1	D22 K43 D55 I58	D22-R41 PolarHBondContact OD1-N 3.15Å; R41-K43 PolarHBondContact O-N 2.78Å; R41-K43 VanDerWaalsContact O-N 3.11Å; R41-D55 WeakPolarHBondContact CA-OD1 3.42Å; R41-D55 WeakPolarHBondContact CB-OD1 3.26Å; R41-I58 HydrophobicContact CG-CD1 4.18Å
42	R	92.8	Very high	94.6	Very high	215 Å²	215	70.4 Å²	70.4	81%	0.811	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	21	177.8	-53.5	-177.9	-68.1	-179.2	-1.6	114.2	Y53 D55	R42-Y53 WeakPolarHBondContact O-CE1 3.47Å; R42-D55 PolarHBondContact N-OD1 3.37Å; R42-D55 PolarHBondContact N-OD2 2.91Å
43	K	94.9	Very high	94.7	Very high	93 Å²	93	69.1 Å²	69.1	40%	0.404	30%	0.304	S	S	.	.			trans	-97.1	125.5	172.5	-177.4	169.3	179.9	-179.8	0	110.7	Q40 R41 Y53	Q40-K43 HydrophobicContact CB-CB 3.92Å; Q40-K43 HydrophobicContact CB-CD 3.97Å; Q40-K43 HydrophobicContact CG-CD 4.41Å; Q40-K43 WeakPolarHBondContact O-CB 3.32Å; Q40-K43 PolarHBondContact O-N 2.85Å; R41-K43 PolarHBondContact O-N 2.78Å; R41-K43 VanDerWaalsContact O-N 3.11Å; K43-Y53 WeakPolarHBondContact O-CD1 3.39Å
44	K	94.2	Very high	94.7	Very high	118 Å²	118	66.8 Å²	66.8	51%	0.513	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.7	173.6	-172.1	176.8	-178.5	178	0	109.4	W51 Y53	K44-W51 HydrophobicContact CD-CB 4.35Å; K44-W51 HydrophobicContact CD-CD2 4.48Å; K44-W51 HydrophobicContact CD-CE3 4.27Å; K44-W51 VanDerWaalsContact CE-CD2 3.49Å; K44-W51 HydrophobicContact CG-CB 4.15Å; K44-W51 HydrophobicContact CG-CE3 4.15Å; K44-Y53 HydrophobicContact CB-CE1 4.15Å
45	V	94.8	Very high	94.6	Very high	13 Å²	13	67.9 Å²	67.9	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.3	175.5	174.5	0	0	0	0	109	L28 V37 W51 F52 L54	L28-V45 HydrophobicContact CD1-CG1 4.12Å; V37-V45 HydrophobicContact CG1-CG1 3.87Å; V45-W51 VanDerWaalsContact O-CA 3.27Å; V45-W51 WeakPolarHBondContact O-CA 3.37Å; V45-F52 HydrophobicContact CB-CE2 4.22Å; V45-F52 HydrophobicContact CG1-CE2 4.17Å; V45-F52 HydrophobicContact CG1-CZ 4.37Å; V45-F52 PolarHBondContact N-O 2.89Å; V45-F52 PolarHBondContact O-N 3Å; V45-L54 HydrophobicContact CG2-CD1 3.97Å; V45-L54 HydrophobicContact CG2-CG 4.32Å
46	T	95.1	Very high	94.4	Very high	57 Å²	57	69.2 Å²	69.2	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.5	174.1	56.9	0	0	0	0	110.7	K35 Q50	K35-T46 WeakPolarHBondContact CD-O 3.23Å; K35-T46 WeakPolarHBondContact CE-O 3.46Å; K35-T46 PolarHBondContact NZ-O 2.91Å; K35-T46 PolarHBondContact NZ-OG1 3.04Å; T46-Q50 CarbonylContact C-O 3.59Å; T46-Q50 VanDerWaalsContact CA-O 3.29Å; T46-Q50 WeakPolarHBondContact CA-O 3.37Å
47	F	94.6	Very high	94.3	Very high	5 Å²	5	68.5 Å²	68.5	2%	0.022	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	129.6	174.3	-175.7	-129.9	0	0	0	110.4	L28 R30 V33 K35 K49 Q50 F52 I158	L28-F47 HydrophobicContact CB-CD1 4.07Å; L28-F47 HydrophobicContact CB-CE1 3.97Å; L28-F47 HydrophobicContact CB-CG 4.5Å; L28-F47 HydrophobicContact CB-CZ 4.32Å; L28-F47 HydrophobicContact CD1-CB 4.38Å; L28-F47 HydrophobicContact CD1-CD1 4.45Å; L28-F47 HydrophobicContact CD1-CG 4.42Å; R30-F47 HydrophobicContact CB-CE1 3.6Å; R30-F47 HydrophobicContact CB-CZ 4.02Å; V33-F47 HydrophobicContact CG1-CE2 4.05Å; V33-F47 HydrophobicContact CG1-CZ 4.32Å; K35-F47 HydrophobicContact CB-CD2 3.49Å; K35-F47 VanDerWaalsContact CB-CD2 3.49Å; K35-F47 HydrophobicContact CB-CE2 3.51Å; K35-F47 HydrophobicContact CB-CG 4.47Å; K35-F47 HydrophobicContact CB-CZ 4.5Å; K35-F47 HydrophobicContact CD-CD2 3.98Å; K35-F47 HydrophobicContact CG-CD2 4.33Å; F47-K49 VanDerWaalsContact C-N 3.34Å; F47-K49 PolarHBondContact O-N 2.81Å; F47-Q50 PolarHBondContact N-O 3.24Å; F47-Q50 PolarHBondContact O-N 3.39Å; F47-F52 HydrophobicContact CB-CE1 3.8Å; F47-F52 HydrophobicContact CB-CZ 3.68Å; F47-F52 HydrophobicContact CD1-CZ 4.44Å; F47-I158 HydrophobicContact CD1-CD1 4.34Å; F47-I158 HydrophobicContact CD1-CG1 4.43Å
48	E	91.8	Very high	94.2	Very high	76 Å²	76	69.6 Å²	69.6	36%	0.355	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	52	178.5	-66.1	-67.1	101.6	0	0	113.5	R30 V33 Q50	R30-E48 HydrophobicContact CB-CG 4.44Å; V33-E48 HydrophobicContact CG1-CG 4.35Å; E48-Q50 PolarHBondContact O-N 2.95Å
49	K	88.2	Confident	94.1	Very high	199 Å²	199	68 Å²	68	87%	0.865	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	18	179.4	-51.4	-174.2	177	-164.5	0	115.4	F47	F47-K49 VanDerWaalsContact C-N 3.34Å; F47-K49 PolarHBondContact O-N 2.81Å
50	Q	88.1	Confident	94	Very high	56 Å²	56	70.8 Å²	70.8	26%	0.262	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.4	175.2	-65.4	179.2	-59.2	0	0	110.6	T46 F47 E48 A156	T46-Q50 CarbonylContact C-O 3.59Å; T46-Q50 VanDerWaalsContact CA-O 3.29Å; T46-Q50 WeakPolarHBondContact CA-O 3.37Å; F47-Q50 PolarHBondContact N-O 3.24Å; F47-Q50 PolarHBondContact O-N 3.39Å; E48-Q50 PolarHBondContact O-N 2.95Å; Q50-A156 VanDerWaalsContact NE2-CB 3.31Å
51	W	91.7	Very high	94	Very high	105 Å²	105	70.5 Å²	70.5	40%	0.398	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.7	171.6	68.9	-95	0	0	0	110.3	K44 V45 Y53 G71	K44-W51 HydrophobicContact CD-CB 4.35Å; K44-W51 HydrophobicContact CD-CD2 4.48Å; K44-W51 HydrophobicContact CD-CE3 4.27Å; K44-W51 VanDerWaalsContact CE-CD2 3.49Å; K44-W51 HydrophobicContact CG-CB 4.15Å; K44-W51 HydrophobicContact CG-CE3 4.15Å; V45-W51 VanDerWaalsContact O-CA 3.27Å; V45-W51 WeakPolarHBondContact O-CA 3.37Å; W51-Y53 HydrophobicContact CE3-CE2 4.43Å; W51-Y53 HydrophobicContact CZ3-CD2 4.02Å; W51-Y53 AromaticContact CZ3-CE2 3.65Å; W51-Y53 HydrophobicContact CZ3-CE2 3.65Å; W51-G71 WeakPolarHBondContact CH2-O 3.24Å; W51-G71 WeakPolarHBondContact CZ3-O 3.44Å
52	F	94	Very high	94	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	168.4	176.2	47.4	-95.5	0	0	0	112.2	L28 V45 F47 L54 V68 G72 L74 I158	L28-F52 HydrophobicContact CD1-CE2 3.77Å; L28-F52 HydrophobicContact CD1-CZ 3.65Å; V45-F52 HydrophobicContact CB-CE2 4.22Å; V45-F52 HydrophobicContact CG1-CE2 4.17Å; V45-F52 HydrophobicContact CG1-CZ 4.37Å; V45-F52 PolarHBondContact N-O 2.89Å; V45-F52 PolarHBondContact O-N 3Å; F47-F52 HydrophobicContact CB-CE1 3.8Å; F47-F52 HydrophobicContact CB-CZ 3.68Å; F47-F52 HydrophobicContact CD1-CZ 4.44Å; F52-L54 HydrophobicContact CD2-CD2 4.15Å; F52-L54 HydrophobicContact CE2-CD2 3.9Å; F52-V68 HydrophobicContact CB-CG1 4.38Å; F52-V68 HydrophobicContact CD1-CG2 4Å; F52-G72 CarbonylContact C-O 3.53Å; F52-G72 WeakPolarHBondContact CA-O 3.42Å; F52-G72 WeakPolarHBondContact CB-O 3.37Å; F52-L74 HydrophobicContact CB-CD2 4.31Å; F52-L74 HydrophobicContact CB-CG 4.21Å; F52-L74 HydrophobicContact CD2-CD1 3.73Å; F52-L74 HydrophobicContact CD2-CD2 4.35Å; F52-L74 HydrophobicContact CD2-CG 4.15Å; F52-L74 HydrophobicContact CE2-CD1 4.22Å; F52-L74 HydrophobicContact CG-CD1 4.32Å; F52-L74 HydrophobicContact CG-CD2 4.16Å; F52-L74 HydrophobicContact CG-CG 4.26Å; F52-I158 HydrophobicContact CD1-CD1 3.96Å; F52-I158 HydrophobicContact CE1-CD1 3.42Å; F52-I158 VanDerWaalsContact CE1-CD1 3.42Å; F52-I158 HydrophobicContact CZ-CD1 3.79Å
53	Y	95.2	Very high	94.1	Very high	90 Å²	90	57.2 Å²	57.2	35%	0.353	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.4	172.3	-69.7	-74.2	0	0	0	110.7	R42 K43 K44 W51 G72	R42-Y53 WeakPolarHBondContact O-CE1 3.47Å; K43-Y53 WeakPolarHBondContact O-CD1 3.39Å; K44-Y53 HydrophobicContact CB-CE1 4.15Å; W51-Y53 HydrophobicContact CE3-CE2 4.43Å; W51-Y53 HydrophobicContact CZ3-CD2 4.02Å; W51-Y53 AromaticContact CZ3-CE2 3.65Å; W51-Y53 HydrophobicContact CZ3-CE2 3.65Å; Y53-G72 PolarHBondContact N-O 2.88Å
54	L	95.7	Very high	94.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.277	C	S	.	.	S	Bend	trans	-89.4	-1.4	-178	-67.2	175.2	0	0	0	113.4	L28 V37 V39 V45 F52 N56 V57 L74	L28-L54 HydrophobicContact CD2-CD2 4.19Å; V37-L54 HydrophobicContact CG2-CD1 3.85Å; V39-L54 HydrophobicContact CG1-CB 4.26Å; V39-L54 HydrophobicContact CG2-CD1 4.38Å; V45-L54 HydrophobicContact CG2-CD1 3.97Å; V45-L54 HydrophobicContact CG2-CG 4.32Å; F52-L54 HydrophobicContact CD2-CD2 4.15Å; F52-L54 HydrophobicContact CE2-CD2 3.9Å; L54-N56 PolarHBondContact O-N 3.24Å; L54-N56 VanDerWaalsContact O-N 3.13Å; L54-V57 HydrophobicContact CB-CG2 4.21Å; L54-V57 HydrophobicContact CD2-CG1 4.44Å; L54-V57 HydrophobicContact CD2-CG2 4.33Å; L54-V57 WeakPolarHBondContact O-CG2 3.36Å; L54-V57 PolarHBondContact O-N 3.13Å; L54-L74 HydrophobicContact CD2-CD1 4.07Å
55	D	95.4	Very high	94.2	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.241	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-52.1	-40.6	-176.3	-61.3	-110.3	0	0	0	112.7	R41 R42 V57	R41-D55 WeakPolarHBondContact CA-OD1 3.42Å; R41-D55 WeakPolarHBondContact CB-OD1 3.26Å; R42-D55 PolarHBondContact N-OD1 3.37Å; R42-D55 PolarHBondContact N-OD2 2.91Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 3.02Å
56	N	94.8	Very high	94.1	Very high	59 Å²	59	50 Å²	50	32%	0.316	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-79.3	-8.9	-176.2	-69.8	22.5	0	0	0	114.6	L54 H60 S73 L74 Q75	L54-N56 PolarHBondContact O-N 3.24Å; L54-N56 VanDerWaalsContact O-N 3.13Å; N56-H60 PolarHBondContact O-CE1 2.92Å; N56-H60 PolarHBondContact O-ND1 3.48Å; N56-S73 PolarHBondContact ND2-OG 3.09Å; N56-L74 WeakPolarHBondContact CB-O 3.31Å; N56-L74 PolarHBondContact ND2-O 2.88Å; N56-Q75 PolarHBondContact ND2-NE2 3.03Å
57	V	95.5	Very high	93.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-83.3	-18.4	178.1	-51.2	0	0	0	0	112.4	I20 L54 D55 H60 F66 L74 V160	I20-V57 HydrophobicContact CD1-CB 4.46Å; I20-V57 HydrophobicContact CG2-CG2 3.94Å; L54-V57 HydrophobicContact CB-CG2 4.21Å; L54-V57 HydrophobicContact CD2-CG1 4.44Å; L54-V57 HydrophobicContact CD2-CG2 4.33Å; L54-V57 WeakPolarHBondContact O-CG2 3.36Å; L54-V57 PolarHBondContact O-N 3.13Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 3.02Å; V57-H60 WeakPolarHBondContact O-CB 3.49Å; V57-H60 PolarHBondContact O-N 3.3Å; V57-H60 PolarHBondContact O-ND1 2.98Å; V57-F66 HydrophobicContact CB-CE1 4.28Å; V57-F66 HydrophobicContact CB-CE2 4.16Å; V57-F66 HydrophobicContact CB-CZ 3.84Å; V57-F66 HydrophobicContact CG1-CD1 4.19Å; V57-F66 HydrophobicContact CG1-CD2 4.17Å; V57-F66 HydrophobicContact CG1-CE1 3.96Å; V57-F66 HydrophobicContact CG1-CE2 3.93Å; V57-F66 HydrophobicContact CG1-CG 4.3Å; V57-F66 HydrophobicContact CG1-CZ 3.83Å; V57-L74 HydrophobicContact CG1-CB 4.28Å; V57-L74 HydrophobicContact CG1-CD1 3.48Å; V57-L74 VanDerWaalsContact CG1-CD1 3.48Å; V57-V160 HydrophobicContact CB-CG2 4.37Å; V57-V160 HydrophobicContact CG1-CG2 4.09Å
58	I	95.9	Very high	93.5	Very high	43 Å²	43	51.5 Å²	51.5	22%	0.221	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	139.9	-178.9	-58.4	172	0	0	0	109.5	D22 V39 R41 H60	D22-I58 HydrophobicContact CB-CD1 4.01Å; V39-I58 HydrophobicContact CG1-CD1 4.3Å; V39-I58 HydrophobicContact CG1-CG1 4.06Å; R41-I58 HydrophobicContact CG-CD1 4.18Å; I58-H60 PolarHBondContact O-N 2.98Å; I58-H60 PolarHBondContact O-ND1 3.38Å
59	G	95	Very high	93.1	Very high	31 Å²	31	50.5 Å²	50.5	32%	0.32	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-6.8	179.3	0	0	0	0	0	114.2	R19 I20	R19-G59 VanDerWaalsContact CD-O 3.28Å; R19-G59 WeakPolarHBondContact CD-O 3.46Å; R19-G59 PolarHBondContact NH1-O 2.86Å; I20-G59 PolarHBondContact O-N 2.91Å
60	H	95.5	Very high	92.4	Very high	57 Å²	57	45.8 Å²	45.8	26%	0.264	26%	0.257	S	S	.	.	S	Bend	trans	-88.4	157.1	173.4	-66.1	79.4	0	0	0	111.4	R19 I20 N56 V57 I58 T64 F66	R19-H60 CarbonylContact C-O 3.58Å; R19-H60 VanDerWaalsContact CA-O 3.28Å; R19-H60 WeakPolarHBondContact CA-O 3.38Å; I20-H60 WeakPolarHBondContact CG1-O 3.37Å; I20-H60 PolarHBondContact N-O 3.49Å; N56-H60 PolarHBondContact O-CE1 2.92Å; N56-H60 PolarHBondContact O-ND1 3.48Å; V57-H60 WeakPolarHBondContact O-CB 3.49Å; V57-H60 PolarHBondContact O-N 3.3Å; V57-H60 PolarHBondContact O-ND1 2.98Å; I58-H60 PolarHBondContact O-N 2.98Å; I58-H60 PolarHBondContact O-ND1 3.38Å; H60-T64 HydrophobicContact CB-CG2 4.16Å; H60-F66 HydrophobicContact CB-CZ 3.98Å; H60-F66 AromaticContact CG-CZ 3.9Å
61	S	95.6	Very high	91.8	Very high	58 Å²	58	45.8 Å²	45.8	41%	0.406	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-73.4	148.9	176.1	-61.4	0	0	0	0	111.3	G63 T64	S61-G63 PolarHBondContact O-N 3.26Å; S61-T64 VanDerWaalsContact O-CB 3.27Å; S61-T64 WeakPolarHBondContact O-CB 3.3Å; S61-T64 PolarHBondContact O-N 3.45Å; S61-T64 VanDerWaalsContact O-N 3.1Å; S61-T64 PolarHBondContact O-OG1 2.83Å
62	Y	95.8	Very high	91.3	Very high	54 Å²	54	41 Å²	41	21%	0.212	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	139.1	167.9	-74.1	-79.7	0	0	0	110.9	H18 I20 D24 V26 V161 K162	H18-Y62 WeakPolarHBondContact O-CD2 3.32Å; H18-Y62 PolarHBondContact O-N 2.89Å; I20-Y62 HydrophobicContact CG1-CD1 3.97Å; I20-Y62 HydrophobicContact CG1-CD2 4.35Å; I20-Y62 HydrophobicContact CG1-CE1 3.91Å; I20-Y62 HydrophobicContact CG1-CE2 4.23Å; I20-Y62 HydrophobicContact CG1-CG 4.22Å; D24-Y62 PolarHBondContact OD2-OH 3.2Å; V26-Y62 HydrophobicContact CB-CE1 4.43Å; V26-Y62 HydrophobicContact CG1-CE1 3.78Å; Y62-V161 VanDerWaalsContact CD1-C 3.48Å; Y62-K162 VanDerWaalsContact CD1-CA 3.49Å; Y62-K162 HydrophobicContact CD1-CB 3.68Å; Y62-K162 HydrophobicContact CD1-CG 4.4Å; Y62-K162 HydrophobicContact CD2-CB 4.32Å; Y62-K162 HydrophobicContact CD2-CD 4.44Å; Y62-K162 HydrophobicContact CE1-CB 3.96Å; Y62-K162 HydrophobicContact CE1-CG 4.24Å; Y62-K162 HydrophobicContact CE2-CD 4.46Å; Y62-K162 HydrophobicContact CE2-CG 4.47Å; Y62-K162 HydrophobicContact CG-CB 3.85Å
63	G	94.6	Very high	90.8	Very high	42 Å²	42	42.5 Å²	42.5	43%	0.433	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-5.7	-171.1	0	0	0	0	0	114	S61 T159 V160	S61-G63 PolarHBondContact O-N 3.26Å; G63-T159 WeakPolarHBondContact O-CG2 3.39Å; G63-V160 PolarHBondContact N-O 3.01Å
64	T	95.4	Very high	90.5	Very high	33 Å²	33	38.2 Å²	38.2	20%	0.202	25%	0.249	C	C	.	.			trans	-63.1	141.9	171.3	-56.7	0	0	0	0	110.4	H60 S61 F66 P76 T159 V160	H60-T64 HydrophobicContact CB-CG2 4.16Å; S61-T64 VanDerWaalsContact O-CB 3.27Å; S61-T64 WeakPolarHBondContact O-CB 3.3Å; S61-T64 PolarHBondContact O-N 3.45Å; S61-T64 VanDerWaalsContact O-N 3.1Å; S61-T64 PolarHBondContact O-OG1 2.83Å; T64-F66 HydrophobicContact CG2-CD2 4.28Å; T64-F66 HydrophobicContact CG2-CE1 4.19Å; T64-F66 HydrophobicContact CG2-CE2 3.58Å; T64-F66 HydrophobicContact CG2-CZ 3.51Å; T64-P76 HydrophobicContact CG2-CB 4.31Å; T64-T159 WeakPolarHBondContact O-CA 3.38Å; T64-V160 PolarHBondContact O-N 3.41Å; T64-V160 VanDerWaalsContact O-N 3.09Å
65	T	95.4	Very high	90.3	Very high	40 Å²	40	42.5 Å²	42.5	25%	0.245	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.4	-176.3	-63.9	0	0	0	0	110	P76 K77 I157 I158 T159	T65-P76 WeakPolarHBondContact O-CA 3.34Å; T65-K77 HydrophobicContact CG2-CB 4.49Å; T65-K77 PolarHBondContact O-N 3.16Å; T65-I157 HydrophobicContact CG2-CB 4.44Å; T65-I157 HydrophobicContact CG2-CG2 2.99Å; T65-I158 CarbonylContact C-O 3.59Å; T65-I158 WeakPolarHBondContact CA-O 3.17Å; T65-T159 PolarHBondContact OG1-OG1 3.16Å; T65-T159 VanDerWaalsContact OG1-OG1 3.09Å
66	F	93.6	Very high	90	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149	-171.5	-61.4	-94.4	0	0	0	110.8	V57 H60 T64 L74 Q75 P76 I158 V160	V57-F66 HydrophobicContact CB-CE1 4.28Å; V57-F66 HydrophobicContact CB-CE2 4.16Å; V57-F66 HydrophobicContact CB-CZ 3.84Å; V57-F66 HydrophobicContact CG1-CD1 4.19Å; V57-F66 HydrophobicContact CG1-CD2 4.17Å; V57-F66 HydrophobicContact CG1-CE1 3.96Å; V57-F66 HydrophobicContact CG1-CE2 3.93Å; V57-F66 HydrophobicContact CG1-CG 4.3Å; V57-F66 HydrophobicContact CG1-CZ 3.83Å; H60-F66 HydrophobicContact CB-CZ 3.98Å; H60-F66 AromaticContact CG-CZ 3.9Å; T64-F66 HydrophobicContact CG2-CD2 4.28Å; T64-F66 HydrophobicContact CG2-CE1 4.19Å; T64-F66 HydrophobicContact CG2-CE2 3.58Å; T64-F66 HydrophobicContact CG2-CZ 3.51Å; F66-L74 HydrophobicContact CB-CB 4.12Å; F66-L74 HydrophobicContact CB-CD2 4.06Å; F66-L74 HydrophobicContact CD1-CB 4.08Å; F66-L74 HydrophobicContact CG-CB 4.33Å; F66-Q75 CarbonylContact C-O 3.59Å; F66-Q75 VanDerWaalsContact CA-O 3.23Å; F66-Q75 WeakPolarHBondContact CA-O 3.23Å; F66-P76 HydrophobicContact CD1-CB 4.14Å; F66-P76 HydrophobicContact CE1-CB 3.97Å; F66-I158 PolarHBondContact N-O 3.08Å; F66-I158 PolarHBondContact O-N 2.61Å; F66-V160 HydrophobicContact CD2-CG2 4.03Å; F66-V160 HydrophobicContact CE2-CB 4.45Å; F66-V160 HydrophobicContact CE2-CG2 3.93Å
67	E	90.4	Very high	89.6	Confident	58 Å²	58	43.2 Å²	43.2	27%	0.271	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.6	168	-68.1	-176.6	170.5	0	0	109.6	Q75 K77	E67-Q75 PolarHBondContact N-O 3.11Å; E67-Q75 PolarHBondContact O-N 2.89Å; E67-K77 HydrophobicContact CG-CB 4.4Å; E67-K77 HydrophobicContact CG-CD 4.19Å; E67-K77 VanDerWaalsContact OE1-CD 3.23Å; E67-K77 WeakPolarHBondContact OE1-CD 3.47Å; E67-K77 WeakPolarHBondContact OE1-CE 3.48Å; E67-K77 IonicContact OE1-NZ 3.45Å; E67-K77 PolarHBondContact OE1-NZ 3.09Å
68	V	87.1	Confident	88.7	Confident	34 Å²	34	52.4 Å²	52.4	21%	0.206	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.6	174.3	-173.3	0	0	0	0	108.6	F52 L74 I158	F52-V68 HydrophobicContact CB-CG1 4.38Å; F52-V68 HydrophobicContact CD1-CG2 4Å; V68-L74 HydrophobicContact CB-CD2 4.48Å; V68-L74 HydrophobicContact CG2-CD2 3.75Å; V68-I158 HydrophobicContact CG2-CD1 3.61Å
69	T	82.4	Confident	87.3	Confident	56 Å²	56	60.3 Å²	60.3	34%	0.344	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	170	175.3	66	0	0	0	0	112	G71 G72 S73 Q75	T69-G71 PolarHBondContact O-N 2.87Å; T69-G72 PolarHBondContact O-N 3.22Å; T69-S73 PolarHBondContact N-O 3.37Å; T69-S73 PolarHBondContact OG1-O 3.34Å; T69-Q75 HydrophobicContact CG2-CB 4.06Å; T69-Q75 HydrophobicContact CG2-CG 3.56Å
70	S	73.4	Confident	85.7	Confident	99 Å²	99	66.8 Å²	66.8	69%	0.692	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	130.4	170.7	-43.8	0	0	0	0	110.6
71	G	75.2	Confident	83.4	Confident	57 Å²	57	72.5 Å²	72.5	59%	0.588	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	9.1	-175.8	0	0	0	0	0	115.6	W51 T69 S73	W51-G71 WeakPolarHBondContact CH2-O 3.24Å; W51-G71 WeakPolarHBondContact CZ3-O 3.44Å; T69-G71 PolarHBondContact O-N 2.87Å; G71-S73 VanDerWaalsContact C-N 3.34Å; G71-S73 PolarHBondContact O-N 3.44Å
72	G	80.7	Confident	80.9	Confident	4 Å²	4	78.5 Å²	78.5	4%	0.041	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	23.5	172.7	0	0	0	0	0	114.2	F52 Y53 T69	F52-G72 CarbonylContact C-O 3.53Å; F52-G72 WeakPolarHBondContact CA-O 3.42Å; F52-G72 WeakPolarHBondContact CB-O 3.37Å; Y53-G72 PolarHBondContact N-O 2.88Å; T69-G72 PolarHBondContact O-N 3.22Å
73	S	84.9	Confident	78.5	Confident	32 Å²	32	81.1 Å²	81.1	22%	0.224	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	145.4	172.4	-166.8	0	0	0	0	110.3	N56 T69 G71	N56-S73 PolarHBondContact ND2-OG 3.09Å; T69-S73 PolarHBondContact N-O 3.37Å; T69-S73 PolarHBondContact OG1-O 3.34Å; G71-S73 VanDerWaalsContact C-N 3.34Å; G71-S73 PolarHBondContact O-N 3.44Å
74	L	89.1	Confident	75.7	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.3	174.6	-70.7	175.1	0	0	0	109.7	F52 L54 N56 V57 F66 V68 I158	F52-L74 HydrophobicContact CB-CD2 4.31Å; F52-L74 HydrophobicContact CB-CG 4.21Å; F52-L74 HydrophobicContact CD2-CD1 3.73Å; F52-L74 HydrophobicContact CD2-CD2 4.35Å; F52-L74 HydrophobicContact CD2-CG 4.15Å; F52-L74 HydrophobicContact CE2-CD1 4.22Å; F52-L74 HydrophobicContact CG-CD1 4.32Å; F52-L74 HydrophobicContact CG-CD2 4.16Å; F52-L74 HydrophobicContact CG-CG 4.26Å; L54-L74 HydrophobicContact CD2-CD1 4.07Å; N56-L74 WeakPolarHBondContact CB-O 3.31Å; N56-L74 PolarHBondContact ND2-O 2.88Å; V57-L74 HydrophobicContact CG1-CB 4.28Å; V57-L74 HydrophobicContact CG1-CD1 3.48Å; V57-L74 VanDerWaalsContact CG1-CD1 3.48Å; F66-L74 HydrophobicContact CB-CB 4.12Å; F66-L74 HydrophobicContact CB-CD2 4.06Å; F66-L74 HydrophobicContact CD1-CB 4.08Å; F66-L74 HydrophobicContact CG-CB 4.33Å; V68-L74 HydrophobicContact CB-CD2 4.48Å; V68-L74 HydrophobicContact CG2-CD2 3.75Å; L74-I158 HydrophobicContact CD2-CD1 4.24Å
75	Q	90.6	Very high	73.1	Confident	91 Å²	91	88.7 Å²	88.7	43%	0.425	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.3	175.6	-68	-62.1	-26	0	0	110.3	N56 F66 E67 T69 K77	N56-Q75 PolarHBondContact ND2-NE2 3.03Å; F66-Q75 CarbonylContact C-O 3.59Å; F66-Q75 VanDerWaalsContact CA-O 3.23Å; F66-Q75 WeakPolarHBondContact CA-O 3.23Å; E67-Q75 PolarHBondContact N-O 3.11Å; E67-Q75 PolarHBondContact O-N 2.89Å; T69-Q75 HydrophobicContact CG2-CB 4.06Å; T69-Q75 HydrophobicContact CG2-CG 3.56Å; Q75-K77 PolarHBondContact O-N 3.41Å
76	P	90.1	Very high	70.8	Confident	51 Å²	51	94.7 Å²	94.7	33%	0.331	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.6	-180	25.5	-32.6	0	0	0	110.3	T64 T65 F66 K78	T64-P76 HydrophobicContact CG2-CB 4.31Å; T65-P76 WeakPolarHBondContact O-CA 3.34Å; F66-P76 HydrophobicContact CD1-CB 4.14Å; F66-P76 HydrophobicContact CE1-CB 3.97Å; P76-K78 PolarHBondContact O-N 2.99Å
77	K	85.6	Confident	68.7	Low	68 Å²	68	101.8 Å²	101.8	30%	0.296	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-77.4	117.2	176.1	-168.3	172.6	-174.3	144.4	0	108.7	T65 E67 Q75 E155 I157	T65-K77 HydrophobicContact CG2-CB 4.49Å; T65-K77 PolarHBondContact O-N 3.16Å; E67-K77 HydrophobicContact CG-CB 4.4Å; E67-K77 HydrophobicContact CG-CD 4.19Å; E67-K77 VanDerWaalsContact OE1-CD 3.23Å; E67-K77 WeakPolarHBondContact OE1-CD 3.47Å; E67-K77 WeakPolarHBondContact OE1-CE 3.48Å; E67-K77 IonicContact OE1-NZ 3.45Å; E67-K77 PolarHBondContact OE1-NZ 3.09Å; Q75-K77 PolarHBondContact O-N 3.41Å; K77-E155 IonicContact NZ-OE2 2.81Å; K77-E155 PolarHBondContact NZ-OE2 3.43Å; K77-I157 HydrophobicContact CD-CD1 4.17Å; K77-I157 HydrophobicContact CD-CG1 4.49Å
78	K	77.1	Confident	67.7	Low	192 Å²	192	105.7 Å²	105.7	84%	0.835	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-65.1	138.5	169.3	-70.6	-175.2	179.4	-179.7	0	108.8	P76 R80	P76-K78 PolarHBondContact O-N 2.99Å; K78-R80 PolarHBondContact O-N 2.97Å; K78-R80 VanDerWaalsContact O-N 3.13Å
79	K	65.2	Low	67.7	Low	210 Å²	210	111.1 Å²	111.1	91%	0.913	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.6	120.7	170.4	-78.3	-175.3	177.3	-179	0	107.6
80	R	63	Low	68.2	Low	166 Å²	166	110.5 Å²	110.5	63%	0.626	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-84.6	131.2	172.2	-160.9	179.7	-177.1	172.7	-1.5	107.4	K78 E122	K78-R80 PolarHBondContact O-N 2.97Å; K78-R80 VanDerWaalsContact O-N 3.13Å; R80-E122 IonicContact CZ-OE1 3.71Å; R80-E122 IonicContact NH1-OE1 2.67Å; R80-E122 PolarHBondContact NH1-OE1 3.37Å; R80-E122 IonicContact NH1-OE2 2.95Å; R80-E122 PolarHBondContact NH1-OE2 3.02Å; R80-E122 IonicContact NH2-OE1 2.88Å; R80-E122 PolarHBondContact NH2-OE1 3.31Å
81	E	46.6	Very low	69.2	Low	178 Å²	178	107 Å²	107	83%	0.832	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-61.4	134.8	165.5	-68.2	177.7	171.4	0	0	107.7
82	E	43.8	Very low	70.1	Confident	184 Å²	184	110.4 Å²	110.4	86%	0.86	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-59.1	128.1	175.9	-68.6	-161.2	159.1	0	0	108.1	T84	E82-T84 PolarHBondContact O-N 3.3Å
83	P	43.6	Very low	70.8	Confident	109 Å²	109	112.6 Å²	112.6	71%	0.708	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-59.3	131.9	175.4	23.7	-30.4	0	0	0	108.4
84	T	36.8	Very low	71.4	Confident	129 Å²	129	116.9 Å²	116.9	79%	0.791	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-50	139.5	173	36.1	0	0	0	0	110.1	E82 E86	E82-T84 PolarHBondContact O-N 3.3Å; T84-E86 PolarHBondContact O-N 3.06Å
85	A	40.5	Very low	71.7	Confident	104 Å²	104	126 Å²	126	86%	0.86	64%	0.644	S	S	*	*			trans	-55.7	91.1	-174.9	0	0	0	0	0	112.1
86	E	47.7	Very low	71.9	Confident	167 Å²	167	128.4 Å²	128.4	78%	0.78	66%	0.659	S	S	*	*			trans	-66.5	138.8	158.8	-73.4	-178.1	169.4	0	0	108.1	T84 K88	T84-E86 PolarHBondContact O-N 3.06Å; E86-K88 WeakPolarHBondContact O-CG 3.39Å; E86-K88 PolarHBondContact O-N 3.3Å
87	T	48.9	Very low	72.2	Confident	149 Å²	149	128.9 Å²	128.9	91%	0.914	66%	0.659	S	S	*	*			trans	-59.4	97	179.2	-29.3	0	0	0	0	109.3	E89	T87-E89 PolarHBondContact O-N 2.91Å
88	K	69	Low	72.7	Confident	140 Å²	140	130.7 Å²	130.7	61%	0.609	68%	0.675	S	S	*	*			trans	-75.8	111	179.9	-65.1	-179.4	-174	169	0	109.1	E86 A90	E86-K88 WeakPolarHBondContact O-CG 3.39Å; E86-K88 PolarHBondContact O-N 3.3Å; K88-A90 PolarHBondContact O-N 2.89Å
89	E	88.1	Confident	73.6	Confident	147 Å²	147	129.1 Å²	129.1	69%	0.687	68%	0.676	S	S	*	*			trans	-64	125.3	169.1	-169.2	-177.3	-177.9	0	0	109.3	T87 Q143	T87-E89 PolarHBondContact O-N 2.91Å; E89-Q143 PolarHBondContact O-NE2 2.82Å
90	A	93.1	Very high	75	Confident	43 Å²	43	122.8 Å²	122.8	36%	0.355	65%	0.652	S	S	.	*			trans	-146.6	145.7	-179.3	0	0	0	0	0	111.2	K88 R136 E140	K88-A90 PolarHBondContact O-N 2.89Å; A90-R136 WeakPolarHBondContact CA-O 3.37Å; A90-E140 HydrophobicContact CB-CB 4.44Å
91	G	93.7	Very high	76.5	Confident	26 Å²	26	118.3 Å²	118.3	27%	0.268	66%	0.658	S	S	.	*			trans	-77.7	167.6	173.6	0	0	0	0	0	113.1	R136 K138 T139	G91-R136 PolarHBondContact N-O 3.23Å; G91-K138 PolarHBondContact N-O 2.65Å; G91-T139 VanDerWaalsContact O-CA 3.27Å; G91-T139 WeakPolarHBondContact O-CA 3.2Å
92	T	94.9	Very high	78.8	Confident	129 Å²	129	117 Å²	117	79%	0.791	65%	0.649	S	S	*	*	S	Bend	trans	-101.6	-24.2	178.6	50.7	0	0	0	0	113.5
93	D	94.6	Very high	81.2	Confident	49 Å²	49	109.2 Å²	109.2	26%	0.262	62%	0.615	S	S	.	*			trans	-148.7	171.2	-177.8	64	71	0	0	0	112	R95	D93-R95 VanDerWaalsContact OD1-CB 3.26Å; D93-R95 WeakPolarHBondContact OD1-CB 3.32Å; D93-R95 WeakPolarHBondContact OD1-CG 3.46Å; D93-R95 IonicContact OD1-CZ 3.97Å; D93-R95 PolarHBondContact OD1-N 2.88Å; D93-R95 IonicContact OD1-NE 2.96Å; D93-R95 PolarHBondContact OD1-NE 3.44Å; D93-R95 IonicContact OD2-CZ 3.13Å; D93-R95 IonicContact OD2-NE 2.85Å; D93-R95 PolarHBondContact OD2-NE 2.6Å; D93-R95 IonicContact OD2-NH2 2.67Å; D93-R95 PolarHBondContact OD2-NH2 2.94Å
94	N	96.7	Very high	83.7	Confident	123 Å²	123	106.7 Å²	106.7	66%	0.658	59%	0.594	S	S	*	*			trans	-104.9	17.7	179.2	65.7	-35.1	0	0	0	113	N96 I97	N94-N96 PolarHBondContact O-N 2.85Å; N94-I97 HydrophobicContact CB-CB 4.35Å; N94-I97 HydrophobicContact CB-CD1 4.02Å; N94-I97 HydrophobicContact CB-CG1 4.39Å; N94-I97 PolarHBondContact O-N 3.04Å; N94-I97 VanDerWaalsContact O-N 3.12Å
95	R	95.9	Very high	86.4	Confident	192 Å²	192	106.2 Å²	106.2	73%	0.725	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-28.4	-170.7	83.9	-175.3	67.3	-164.7	-1.4	113.4	D93	D93-R95 VanDerWaalsContact OD1-CB 3.26Å; D93-R95 WeakPolarHBondContact OD1-CB 3.32Å; D93-R95 WeakPolarHBondContact OD1-CG 3.46Å; D93-R95 IonicContact OD1-CZ 3.97Å; D93-R95 PolarHBondContact OD1-N 2.88Å; D93-R95 IonicContact OD1-NE 2.96Å; D93-R95 PolarHBondContact OD1-NE 3.44Å; D93-R95 IonicContact OD2-CZ 3.13Å; D93-R95 IonicContact OD2-NE 2.85Å; D93-R95 PolarHBondContact OD2-NE 2.6Å; D93-R95 IonicContact OD2-NH2 2.67Å; D93-R95 PolarHBondContact OD2-NH2 2.94Å
96	N	95.9	Very high	88.9	Confident	140 Å²	140	102.6 Å²	102.6	75%	0.749	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	3.7	-180	-63.5	-33.2	0	0	0	113	N94 V98	N94-N96 PolarHBondContact O-N 2.85Å; N96-V98 PolarHBondContact O-N 2.94Å
97	I	95.6	Very high	91.1	Very high	61 Å²	61	98.3 Å²	98.3	31%	0.313	53%	0.532	S	S	.	.			trans	-84.6	115.6	177.8	-61.3	180	0	0	0	108.4	N94 T134 K138	N94-I97 HydrophobicContact CB-CB 4.35Å; N94-I97 HydrophobicContact CB-CD1 4.02Å; N94-I97 HydrophobicContact CB-CG1 4.39Å; N94-I97 PolarHBondContact O-N 3.04Å; N94-I97 VanDerWaalsContact O-N 3.12Å; I97-T134 HydrophobicContact CG2-CG2 4.48Å; I97-K138 HydrophobicContact CD1-CG 4.22Å
98	V	96.1	Very high	93.1	Very high	106 Å²	106	98 Å²	98	64%	0.642	52%	0.521	S	S	*	.			trans	-105.9	135.4	178	-177.5	0	0	0	0	109.7	N96 D100	N96-V98 PolarHBondContact O-N 2.94Å; V98-D100 VanDerWaalsContact C-N 3.31Å; V98-D100 PolarHBondContact O-N 3.42Å; V98-D100 VanDerWaalsContact O-N 3.07Å
99	D	96.1	Very high	94.3	Very high	159 Å²	159	96.2 Å²	96.2	85%	0.85	52%	0.518	S	S	*	.			trans	-82.3	77.8	172.4	-168.4	14.4	0	0	0	110.5	G101	D99-G101 VanDerWaalsContact C-N 3.29Å
100	D	94.1	Very high	94.5	Very high	78 Å²	78	92.5 Å²	92.5	42%	0.417	50%	0.503	S	S	.	.			trans	-81.8	-5.5	-177.5	68.2	-12.1	0	0	0	114	V98 K102 S103	V98-D100 VanDerWaalsContact C-N 3.31Å; V98-D100 PolarHBondContact O-N 3.42Å; V98-D100 VanDerWaalsContact O-N 3.07Å; D100-K102 PolarHBondContact O-N 3.02Å; D100-K102 VanDerWaalsContact O-N 3.15Å; D100-K102 PolarHBondContact OD1-N 3Å; D100-S103 PolarHBondContact OD1-N 3.28Å; D100-S103 PolarHBondContact OD1-OG 2.95Å
101	G	94.3	Very high	94.4	Very high	72 Å²	72	91.8 Å²	91.8	74%	0.742	49%	0.492	S	S	*	.	S	Bend	trans	66.1	3.9	-171.4	0	0	0	0	0	114.8	D99	D99-G101 VanDerWaalsContact C-N 3.29Å
102	K	94.4	Very high	94.1	Very high	149 Å²	149	95.2 Å²	95.2	65%	0.648	50%	0.5	S	S	*	.			trans	-124.1	11.3	-172.5	-61.9	173.1	-174	176.7	0	112.9	D100 Q104 K105	D100-K102 PolarHBondContact O-N 3.02Å; D100-K102 VanDerWaalsContact O-N 3.15Å; D100-K102 PolarHBondContact OD1-N 3Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.49Å; K102-K105 PolarHBondContact O-NZ 2.81Å
103	S	94.6	Very high	94	Very high	22 Å²	22	91.1 Å²	91.1	15%	0.154	48%	0.479	C	S	.	.	S	Bend	trans	-63.1	-33.6	178.9	-69.8	0	0	0	0	113.7	D100 T133 T134	D100-S103 PolarHBondContact OD1-N 3.28Å; D100-S103 PolarHBondContact OD1-OG 2.95Å; S103-T133 WeakPolarHBondContact CA-OG1 3.45Å; S103-T133 PolarHBondContact O-N 3.1Å; S103-T133 PolarHBondContact O-OG1 2.88Å; S103-T134 WeakPolarHBondContact OG-CG2 3.21Å
104	Q	95.6	Very high	93.7	Very high	55 Å²	55	89.8 Å²	89.8	26%	0.257	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-94.4	125	175	177.6	55.8	-114.9	0	0	109.5	K102 L106 L128 N131	K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.49Å; Q104-L106 HydrophobicContact CG-CB 4.48Å; Q104-L106 VanDerWaalsContact OE1-N 3.14Å; Q104-L128 PolarHBondContact NE2-O 3.43Å; Q104-N131 PolarHBondContact OE1-O 3.22Å
105	K	94.9	Very high	93.1	Very high	119 Å²	119	89 Å²	89	52%	0.517	46%	0.463	S	S	.	.			trans	-87.6	-16.5	-177.7	-59.5	-55.6	178.9	-161.5	0	114.4	K102 N131 T133	K102-K105 PolarHBondContact O-NZ 2.81Å; K105-N131 HydrophobicContact CB-CB 4.22Å; K105-N131 PolarHBondContact N-O 3.22Å; K105-T133 HydrophobicContact CD-CG2 4.43Å; K105-T133 HydrophobicContact CG-CG2 4.28Å
106	L	93.6	Very high	92.6	Very high	29 Å²	29	86.5 Å²	86.5	15%	0.152	46%	0.464	C	S	.	.	S	Bend	trans	-84	135.3	172	-66.3	159.4	0	0	0	111.2	Q104 D110 Q127 L128 N131	Q104-L106 HydrophobicContact CG-CB 4.48Å; Q104-L106 VanDerWaalsContact OE1-N 3.14Å; L106-D110 HydrophobicContact CD2-CB 4.15Å; L106-Q127 HydrophobicContact CD1-CB 4.3Å; L106-L128 HydrophobicContact CD1-CD2 4.2Å; L106-N131 HydrophobicContact CD1-CB 3.74Å; L106-N131 HydrophobicContact CG-CB 3.8Å
107	T	93.1	Very high	92.2	Very high	76 Å²	76	87.8 Å²	87.8	47%	0.466	46%	0.463	S	S	.	.			trans	-80.3	170.4	175.4	69.6	0	0	0	0	112	D109 D110 I111	T107-D109 VanDerWaalsContact C-N 3.28Å; T107-D109 PolarHBondContact O-N 3.37Å; T107-D110 WeakPolarHBondContact CB-OD2 3.36Å; T107-D110 PolarHBondContact N-OD2 3.02Å; T107-D110 PolarHBondContact O-N 3.37Å; T107-D110 PolarHBondContact OG1-N 3.01Å; T107-D110 PolarHBondContact OG1-OD2 3.22Å; T107-I111 WeakPolarHBondContact O-CG1 3.34Å; T107-I111 PolarHBondContact O-N 3.22Å
108	Q	91.1	Very high	91.5	Very high	144 Å²	144	86.7 Å²	86.7	67%	0.673	47%	0.467	S	S	*	.	H	α-helix	trans	-62.6	-36.5	174.3	-175.4	179.7	7.6	0	0	112.2	I111 K112	Q108-I111 PolarHBondContact O-N 3.43Å; Q108-K112 PolarHBondContact O-N 3.1Å; Q108-K112 VanDerWaalsContact O-N 3.11Å
109	D	93.6	Very high	90.9	Very high	102 Å²	102	84.4 Å²	84.4	55%	0.545	45%	0.45	S	S	.	.	H	α-helix	trans	-74.6	-34.6	-178.5	-65	-35.2	0	0	0	111.7	T107 I111 K112 A113	T107-D109 VanDerWaalsContact C-N 3.28Å; T107-D109 PolarHBondContact O-N 3.37Å; D109-I111 VanDerWaalsContact C-N 3.28Å; D109-I111 PolarHBondContact O-N 3.48Å; D109-K112 PolarHBondContact O-N 3.41Å; D109-K112 VanDerWaalsContact O-N 3.16Å; D109-K112 IonicContact OD1-NZ 3.7Å; D109-K112 PolarHBondContact OD1-NZ 3.41Å; D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 3.24Å
110	D	93.4	Very high	90.3	Very high	69 Å²	69	84.3 Å²	84.3	37%	0.369	44%	0.442	S	S	.	.	H	α-helix	trans	-58.1	-43.6	169.8	-59.5	-42.8	0	0	0	110.9	L106 T107 K112 A113 L114	L106-D110 HydrophobicContact CD2-CB 4.15Å; T107-D110 WeakPolarHBondContact CB-OD2 3.36Å; T107-D110 PolarHBondContact N-OD2 3.02Å; T107-D110 PolarHBondContact O-N 3.37Å; T107-D110 PolarHBondContact OG1-N 3.01Å; T107-D110 PolarHBondContact OG1-OD2 3.22Å; D110-K112 VanDerWaalsContact C-N 3.33Å; D110-K112 PolarHBondContact O-N 3.37Å; D110-A113 WeakPolarHBondContact O-CB 3.49Å; D110-A113 PolarHBondContact O-N 3.26Å; D110-L114 WeakPolarHBondContact O-CG 3.49Å; D110-L114 PolarHBondContact O-N 3.11Å
111	I	89	Confident	89.9	Confident	28 Å²	28	81.4 Å²	81.4	14%	0.144	43%	0.43	C	S	.	.	H	α-helix	trans	-65.3	-36.2	178.7	-64.5	165.4	0	0	0	111.6	T107 Q108 D109 K115 L128 Y154	T107-I111 WeakPolarHBondContact O-CG1 3.34Å; T107-I111 PolarHBondContact O-N 3.22Å; Q108-I111 PolarHBondContact O-N 3.43Å; D109-I111 VanDerWaalsContact C-N 3.28Å; D109-I111 PolarHBondContact O-N 3.48Å; I111-K115 WeakPolarHBondContact O-CG 3.44Å; I111-K115 PolarHBondContact O-N 2.87Å; I111-L128 HydrophobicContact CD1-CD2 3.93Å; I111-L128 HydrophobicContact CG1-CD2 4.28Å; I111-Y154 HydrophobicContact CG2-CE1 4Å
112	K	88.8	Confident	89.5	Confident	97 Å²	97	81.5 Å²	81.5	42%	0.422	41%	0.411	S	S	.	.	H	α-helix	trans	-65.8	-47.5	172.7	-68.8	174.2	-166.9	153.7	0	110.1	Q108 D109 D110 L114 K115 D116	Q108-K112 PolarHBondContact O-N 3.1Å; Q108-K112 VanDerWaalsContact O-N 3.11Å; D109-K112 PolarHBondContact O-N 3.41Å; D109-K112 VanDerWaalsContact O-N 3.16Å; D109-K112 IonicContact OD1-NZ 3.7Å; D109-K112 PolarHBondContact OD1-NZ 3.41Å; D110-K112 VanDerWaalsContact C-N 3.33Å; D110-K112 PolarHBondContact O-N 3.37Å; K112-L114 VanDerWaalsContact C-N 3.27Å; K112-L114 PolarHBondContact O-N 3.44Å; K112-K115 CarbonylContact O-C 3.53Å; K112-K115 WeakPolarHBondContact O-CA 3.49Å; K112-K115 WeakPolarHBondContact O-CB 3.32Å; K112-K115 PolarHBondContact O-N 3.13Å; K112-D116 VanDerWaalsContact O-CG 3.22Å; K112-D116 PolarHBondContact O-N 3.05Å
113	A	91.9	Very high	89.3	Confident	43 Å²	43	78.9 Å²	78.9	36%	0.355	40%	0.401	S	S	.	.	H	α-helix	trans	-57.8	-38.2	178.3	0	0	0	0	0	112.5	D109 D110 K115 D116 K117	D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 3.24Å; D110-A113 WeakPolarHBondContact O-CB 3.49Å; D110-A113 PolarHBondContact O-N 3.26Å; A113-K115 VanDerWaalsContact C-N 3.35Å; A113-K115 PolarHBondContact O-N 3.38Å; A113-D116 PolarHBondContact O-N 2.87Å; A113-K117 WeakPolarHBondContact O-CB 3.4Å; A113-K117 VanDerWaalsContact O-CG 3.27Å; A113-K117 WeakPolarHBondContact O-CG 3.28Å; A113-K117 PolarHBondContact O-N 3.16Å
114	L	89.1	Confident	89.1	Confident	21 Å²	21	78 Å²	78	11%	0.11	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-40.5	173.5	-67.3	174.7	0	0	0	112.1	D110 K112 I119 I124	D110-L114 WeakPolarHBondContact O-CG 3.49Å; D110-L114 PolarHBondContact O-N 3.11Å; K112-L114 VanDerWaalsContact C-N 3.27Å; K112-L114 PolarHBondContact O-N 3.44Å; L114-I119 HydrophobicContact CB-CD1 4.28Å; L114-I119 HydrophobicContact CD2-CD1 3.45Å; L114-I119 VanDerWaalsContact CD2-CD1 3.45Å; L114-I119 HydrophobicContact CG-CD1 4.46Å; L114-I119 WeakPolarHBondContact O-CB 3.41Å; L114-I119 PolarHBondContact O-N 2.78Å; L114-I124 HydrophobicContact CB-CD1 4.4Å; L114-I124 HydrophobicContact CB-CG1 4.24Å
115	K	84.3	Confident	88.9	Confident	107 Å²	107	75.6 Å²	75.6	47%	0.465	38%	0.384	S	S	.	.	H	α-helix	trans	-69.1	-42.5	176.2	-69.4	178.5	179.8	-175.5	0	112.3	I111 K112 A113 K117 G118 I124	I111-K115 WeakPolarHBondContact O-CG 3.44Å; I111-K115 PolarHBondContact O-N 2.87Å; K112-K115 CarbonylContact O-C 3.53Å; K112-K115 WeakPolarHBondContact O-CA 3.49Å; K112-K115 WeakPolarHBondContact O-CB 3.32Å; K112-K115 PolarHBondContact O-N 3.13Å; A113-K115 VanDerWaalsContact C-N 3.35Å; A113-K115 PolarHBondContact O-N 3.38Å; K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 PolarHBondContact O-N 2.71Å; K115-G118 WeakPolarHBondContact O-CA 3.38Å; K115-G118 PolarHBondContact O-N 3.15Å; K115-I124 HydrophobicContact CG-CD1 3.98Å
116	D	85.3	Confident	88.8	Confident	140 Å²	140	74 Å²	74	75%	0.749	38%	0.379	S	S	*	.	H	α-helix	trans	-67.3	-31.9	-178.2	-62	-20.9	0	0	0	111.1	K112 A113 G118	K112-D116 VanDerWaalsContact O-CG 3.22Å; K112-D116 PolarHBondContact O-N 3.05Å; A113-D116 PolarHBondContact O-N 2.87Å; D116-G118 PolarHBondContact O-N 3.04Å
117	K	86.7	Confident	88.8	Confident	166 Å²	166	75.4 Å²	75.4	72%	0.722	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-6.2	168.5	-75.5	177.1	-179.5	179.6	0	114.1	A113 K115 I119	A113-K117 WeakPolarHBondContact O-CB 3.4Å; A113-K117 VanDerWaalsContact O-CG 3.27Å; A113-K117 WeakPolarHBondContact O-CG 3.28Å; A113-K117 PolarHBondContact O-N 3.16Å; K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 PolarHBondContact O-N 2.71Å; K117-I119 VanDerWaalsContact C-N 3.3Å; K117-I119 HydrophobicContact CB-CD1 4.26Å; K117-I119 HydrophobicContact CB-CG1 4.09Å; K117-I119 HydrophobicContact CD-CD1 4.49Å; K117-I119 PolarHBondContact O-N 3.26Å
118	G	81	Confident	88.9	Confident	39 Å²	39	71.9 Å²	71.9	40%	0.402	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	24	-179.3	0	0	0	0	0	113.9	K115 D116	K115-G118 WeakPolarHBondContact O-CA 3.38Å; K115-G118 PolarHBondContact O-N 3.15Å; D116-G118 PolarHBondContact O-N 3.04Å
119	I	83.3	Confident	89	Confident	57 Å²	57	66.2 Å²	66.2	29%	0.292	34%	0.337	S	S	.	.			trans	-64.6	141.6	177.7	-66.3	174.2	0	0	0	109.6	L114 K117 E123 I124	L114-I119 HydrophobicContact CB-CD1 4.28Å; L114-I119 HydrophobicContact CD2-CD1 3.45Å; L114-I119 VanDerWaalsContact CD2-CD1 3.45Å; L114-I119 HydrophobicContact CG-CD1 4.46Å; L114-I119 WeakPolarHBondContact O-CB 3.41Å; L114-I119 PolarHBondContact O-N 2.78Å; K117-I119 VanDerWaalsContact C-N 3.3Å; K117-I119 HydrophobicContact CB-CD1 4.26Å; K117-I119 HydrophobicContact CB-CG1 4.09Å; K117-I119 HydrophobicContact CD-CD1 4.49Å; K117-I119 PolarHBondContact O-N 3.26Å; I119-E123 HydrophobicContact CG2-CB 3.59Å; I119-E123 HydrophobicContact CG2-CG 3.74Å; I119-I124 HydrophobicContact CG2-CG1 4.09Å
120	K	84.1	Confident	89.1	Confident	158 Å²	158	67.2 Å²	67.2	69%	0.687	34%	0.338	S	S	*	.			trans	-59.8	141.9	179.3	-69.2	-176.7	179.3	178.1	0	110.8	E122 E123 I124	K120-E122 PolarHBondContact O-N 3.08Å; K120-E122 VanDerWaalsContact O-N 3.15Å; K120-E123 WeakPolarHBondContact O-CB 3.43Å; K120-E123 PolarHBondContact O-N 2.93Å; K120-I124 PolarHBondContact O-N 3.5Å
121	G	84.8	Confident	89.2	Confident	16 Å²	16	66.3 Å²	66.3	17%	0.165	33%	0.333	C	S	.	.	H	α-helix	trans	-56.3	-33.9	-179.4	0	0	0	0	0	113.9	I124 V125 Y154	G121-I124 PolarHBondContact O-N 3.25Å; G121-V125 VanDerWaalsContact O-CG2 3.32Å; G121-V125 WeakPolarHBondContact O-CG2 3.18Å; G121-V125 PolarHBondContact O-N 2.92Å; G121-V125 VanDerWaalsContact O-N 3.1Å; G121-Y154 WeakPolarHBondContact CA-O 3.27Å
122	E	87.1	Confident	89.5	Confident	74 Å²	74	65.5 Å²	65.5	35%	0.346	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-44.5	176.2	-170	-169.9	135.6	0	0	112.6	R80 K120 I124 V125 Q126	R80-E122 IonicContact CZ-OE1 3.71Å; R80-E122 IonicContact NH1-OE1 2.67Å; R80-E122 PolarHBondContact NH1-OE1 3.37Å; R80-E122 IonicContact NH1-OE2 2.95Å; R80-E122 PolarHBondContact NH1-OE2 3.02Å; R80-E122 IonicContact NH2-OE1 2.88Å; R80-E122 PolarHBondContact NH2-OE1 3.31Å; K120-E122 PolarHBondContact O-N 3.08Å; K120-E122 VanDerWaalsContact O-N 3.15Å; E122-I124 VanDerWaalsContact C-N 3.3Å; E122-I124 PolarHBondContact O-N 3.27Å; E122-V125 WeakPolarHBondContact O-CA 3.34Å; E122-V125 WeakPolarHBondContact O-CB 3.47Å; E122-V125 PolarHBondContact O-N 2.82Å; E122-Q126 PolarHBondContact O-N 2.85Å
123	E	89.3	Confident	89.9	Confident	94 Å²	94	64 Å²	64	44%	0.439	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-38.3	178.9	-169.8	65.4	-152.9	0	0	110.9	I119 K120 V125 Q126 Q127	I119-E123 HydrophobicContact CG2-CB 3.59Å; I119-E123 HydrophobicContact CG2-CG 3.74Å; K120-E123 WeakPolarHBondContact O-CB 3.43Å; K120-E123 PolarHBondContact O-N 2.93Å; E123-V125 VanDerWaalsContact C-N 3.28Å; E123-V125 PolarHBondContact O-N 2.99Å; E123-Q126 PolarHBondContact O-N 3.43Å; E123-Q127 WeakPolarHBondContact O-CG 2.82Å; E123-Q127 PolarHBondContact O-N 3.4Å
124	I	90.7	Very high	90	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-40.3	172.8	-60.4	175.1	0	0	0	110.5	L114 K115 I119 K120 G121 E122 L128 Y154	L114-I124 HydrophobicContact CB-CD1 4.4Å; L114-I124 HydrophobicContact CB-CG1 4.24Å; K115-I124 HydrophobicContact CG-CD1 3.98Å; I119-I124 HydrophobicContact CG2-CG1 4.09Å; K120-I124 PolarHBondContact O-N 3.5Å; G121-I124 PolarHBondContact O-N 3.25Å; E122-I124 VanDerWaalsContact C-N 3.3Å; E122-I124 PolarHBondContact O-N 3.27Å; I124-L128 HydrophobicContact CG2-CD1 3.99Å; I124-L128 HydrophobicContact CG2-CG 4.46Å; I124-L128 WeakPolarHBondContact O-CB 3.39Å; I124-L128 WeakPolarHBondContact O-CD1 3.38Å; I124-L128 WeakPolarHBondContact O-CG 3.27Å; I124-L128 PolarHBondContact O-N 2.71Å; I124-Y154 HydrophobicContact CD1-CD1 4.46Å; I124-Y154 HydrophobicContact CG2-CD1 3.78Å; I124-Y154 HydrophobicContact CG2-CD2 4.31Å; I124-Y154 HydrophobicContact CG2-CE1 3.92Å; I124-Y154 HydrophobicContact CG2-CE2 4.49Å; I124-Y154 HydrophobicContact CG2-CG 3.98Å
125	V	92.6	Very high	90.3	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.024	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-44.3	176.7	174.2	0	0	0	0	110.3	G121 E122 E123 L128 I129 K150 K151 Y154	G121-V125 VanDerWaalsContact O-CG2 3.32Å; G121-V125 WeakPolarHBondContact O-CG2 3.18Å; G121-V125 PolarHBondContact O-N 2.92Å; G121-V125 VanDerWaalsContact O-N 3.1Å; E122-V125 WeakPolarHBondContact O-CA 3.34Å; E122-V125 WeakPolarHBondContact O-CB 3.47Å; E122-V125 PolarHBondContact O-N 2.82Å; E123-V125 VanDerWaalsContact C-N 3.28Å; E123-V125 PolarHBondContact O-N 2.99Å; V125-L128 PolarHBondContact O-N 2.71Å; V125-I129 HydrophobicContact CG1-CD1 3.99Å; V125-I129 VanDerWaalsContact O-CG1 3.31Å; V125-I129 WeakPolarHBondContact O-CG1 3.28Å; V125-I129 PolarHBondContact O-N 2.92Å; V125-I129 VanDerWaalsContact O-N 3.09Å; V125-K150 HydrophobicContact CB-CB 4.48Å; V125-K150 HydrophobicContact CG1-CB 4.01Å; V125-K150 HydrophobicContact CG2-CB 3.92Å; V125-K151 HydrophobicContact CG1-CG 4.33Å; V125-K151 HydrophobicContact CG2-CG 4.31Å; V125-Y154 HydrophobicContact CG2-CD2 4.28Å
126	Q	93	Very high	90.8	Very high	86 Å²	86	65.1 Å²	65.1	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-48.3	179.2	-173.7	59.6	24.2	0	0	111.9	E122 E123 L128 I129 E130	E122-Q126 PolarHBondContact O-N 2.85Å; E123-Q126 PolarHBondContact O-N 3.43Å; Q126-L128 VanDerWaalsContact C-N 3.28Å; Q126-L128 PolarHBondContact O-N 2.86Å; Q126-I129 WeakPolarHBondContact O-CA 3.24Å; Q126-I129 WeakPolarHBondContact O-CB 3.39Å; Q126-I129 PolarHBondContact O-N 3.24Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.33Å; Q126-E130 PolarHBondContact NE2-OE1 2.9Å; Q126-E130 PolarHBondContact O-N 2.9Å
127	Q	93.6	Very high	91.3	Very high	58 Å²	58	61.9 Å²	61.9	27%	0.271	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-34.8	176.3	-68.7	-148.9	-7.4	0	0	113	L106 E123 I129 E130 N131	L106-Q127 HydrophobicContact CD1-CB 4.3Å; E123-Q127 WeakPolarHBondContact O-CG 2.82Å; E123-Q127 PolarHBondContact O-N 3.4Å; Q127-I129 VanDerWaalsContact C-N 3.26Å; Q127-I129 PolarHBondContact O-N 3.24Å; Q127-E130 PolarHBondContact O-N 3.49Å; Q127-N131 VanDerWaalsContact O-CB 3.32Å; Q127-N131 WeakPolarHBondContact O-CB 3.23Å; Q127-N131 PolarHBondContact O-N 3.42Å; Q127-N131 PolarHBondContact O-ND2 2.97Å
128	L	94.3	Very high	91.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-68.7	-23.7	174.4	-75.7	171.3	0	0	0	113.5	Q104 L106 I111 I124 V125 Q126 S132 Y146 K150 Y154	Q104-L128 PolarHBondContact NE2-O 3.43Å; L106-L128 HydrophobicContact CD1-CD2 4.2Å; I111-L128 HydrophobicContact CD1-CD2 3.93Å; I111-L128 HydrophobicContact CG1-CD2 4.28Å; I124-L128 HydrophobicContact CG2-CD1 3.99Å; I124-L128 HydrophobicContact CG2-CG 4.46Å; I124-L128 WeakPolarHBondContact O-CB 3.39Å; I124-L128 WeakPolarHBondContact O-CD1 3.38Å; I124-L128 WeakPolarHBondContact O-CG 3.27Å; I124-L128 PolarHBondContact O-N 2.71Å; V125-L128 PolarHBondContact O-N 2.71Å; Q126-L128 VanDerWaalsContact C-N 3.28Å; Q126-L128 PolarHBondContact O-N 2.86Å; L128-S132 WeakPolarHBondContact O-CB 3.4Å; L128-Y146 PolarHBondContact O-OH 2.7Å; L128-K150 HydrophobicContact CD1-CD 4.02Å; L128-Y154 HydrophobicContact CD1-CD2 4.09Å; L128-Y154 HydrophobicContact CD1-CE2 3.43Å; L128-Y154 VanDerWaalsContact CD1-CE2 3.43Å
129	I	94.2	Very high	92.5	Very high	25 Å²	25	56 Å²	56	13%	0.128	27%	0.273	C	S	.	.	H	α-helix	trans	-77.4	-51.6	173.6	-69.5	163.6	0	0	0	108.9	V125 Q126 Q127 N131 S132 F135 Y146 I147	V125-I129 HydrophobicContact CG1-CD1 3.99Å; V125-I129 VanDerWaalsContact O-CG1 3.31Å; V125-I129 WeakPolarHBondContact O-CG1 3.28Å; V125-I129 PolarHBondContact O-N 2.92Å; V125-I129 VanDerWaalsContact O-N 3.09Å; Q126-I129 WeakPolarHBondContact O-CA 3.24Å; Q126-I129 WeakPolarHBondContact O-CB 3.39Å; Q126-I129 PolarHBondContact O-N 3.24Å; Q127-I129 VanDerWaalsContact C-N 3.26Å; Q127-I129 PolarHBondContact O-N 3.24Å; I129-N131 VanDerWaalsContact C-N 3.28Å; I129-N131 PolarHBondContact O-N 3.45Å; I129-S132 WeakPolarHBondContact O-CB 3.09Å; I129-S132 PolarHBondContact O-N 2.88Å; I129-F135 HydrophobicContact CG1-CD2 4.46Å; I129-F135 HydrophobicContact CG1-CE2 4.18Å; I129-F135 HydrophobicContact CG1-CZ 4.39Å; I129-F135 HydrophobicContact CG2-CD1 3.58Å; I129-F135 HydrophobicContact CG2-CD2 4.16Å; I129-F135 HydrophobicContact CG2-CE1 3.6Å; I129-F135 HydrophobicContact CG2-CE2 4.2Å; I129-F135 HydrophobicContact CG2-CG 3.87Å; I129-F135 HydrophobicContact CG2-CZ 3.93Å; I129-Y146 HydrophobicContact CG1-CD1 4.43Å; I129-Y146 HydrophobicContact CG1-CE1 4.05Å; I129-I147 HydrophobicContact CD1-CD1 4.34Å; I129-I147 HydrophobicContact CD1-CG1 3.9Å
130	E	94.7	Very high	93	Very high	123 Å²	123	58.4 Å²	58.4	58%	0.575	28%	0.283	S	S	*	.	H	α-helix	trans	-59.7	-36.6	-179.4	-70.2	167.5	-173.8	0	0	112.7	Q126 Q127 S132	Q126-E130 WeakPolarHBondContact CG-OE1 3.33Å; Q126-E130 PolarHBondContact NE2-OE1 2.9Å; Q126-E130 PolarHBondContact O-N 2.9Å; Q127-E130 PolarHBondContact O-N 3.49Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 2.84Å
131	N	95.4	Very high	93.5	Very high	51 Å²	51	54.6 Å²	54.6	27%	0.273	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	6.5	178.4	-73.5	-85.6	0	0	0	114	Q104 K105 L106 Q127 I129	Q104-N131 PolarHBondContact OE1-O 3.22Å; K105-N131 HydrophobicContact CB-CB 4.22Å; K105-N131 PolarHBondContact N-O 3.22Å; L106-N131 HydrophobicContact CD1-CB 3.74Å; L106-N131 HydrophobicContact CG-CB 3.8Å; Q127-N131 VanDerWaalsContact O-CB 3.32Å; Q127-N131 WeakPolarHBondContact O-CB 3.23Å; Q127-N131 PolarHBondContact O-N 3.42Å; Q127-N131 PolarHBondContact O-ND2 2.97Å; I129-N131 VanDerWaalsContact C-N 3.28Å; I129-N131 PolarHBondContact O-N 3.45Å
132	S	95.9	Very high	94	Very high	10 Å²	10	55.5 Å²	55.5	7%	0.07	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-97.4	100.8	175.3	173.1	0	0	0	0	110.3	L128 I129 E130 T134 F135	L128-S132 WeakPolarHBondContact O-CB 3.4Å; I129-S132 WeakPolarHBondContact O-CB 3.09Å; I129-S132 PolarHBondContact O-N 2.88Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 2.84Å; S132-T134 PolarHBondContact O-N 3.47Å; S132-T134 VanDerWaalsContact O-N 3.13Å; S132-F135 WeakPolarHBondContact O-CB 2.85Å; S132-F135 PolarHBondContact O-N 3.09Å; S132-F135 PolarHBondContact OG-N 3.09Å
133	T	95.6	Very high	94.4	Very high	65 Å²	65	52.3 Å²	52.3	40%	0.399	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.2	178.6	50	0	0	0	0	113.9	S103 K105	S103-T133 WeakPolarHBondContact CA-OG1 3.45Å; S103-T133 PolarHBondContact O-N 3.1Å; S103-T133 PolarHBondContact O-OG1 2.88Å; K105-T133 HydrophobicContact CD-CG2 4.43Å; K105-T133 HydrophobicContact CG-CG2 4.28Å
134	T	95.3	Very high	94.6	Very high	20 Å²	20	50 Å²	50	12%	0.123	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.9	-179.1	57	0	0	0	0	114.2	I97 S103 S132 K138	I97-T134 HydrophobicContact CG2-CG2 4.48Å; S103-T134 WeakPolarHBondContact OG-CG2 3.21Å; S132-T134 PolarHBondContact O-N 3.47Å; S132-T134 VanDerWaalsContact O-N 3.13Å; T134-K138 WeakPolarHBondContact O-CE 3.42Å; T134-K138 VanDerWaalsContact O-CG 3.31Å; T134-K138 WeakPolarHBondContact O-CG 3.4Å; T134-K138 PolarHBondContact O-N 2.74Å
135	F	95.8	Very high	94.8	Very high	27 Å²	27	57.6 Å²	57.6	12%	0.118	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-47.3	-173.9	-175	-93.3	0	0	0	112.4	I129 S132 D137 K138 Q143 Y146 I147	I129-F135 HydrophobicContact CG1-CD2 4.46Å; I129-F135 HydrophobicContact CG1-CE2 4.18Å; I129-F135 HydrophobicContact CG1-CZ 4.39Å; I129-F135 HydrophobicContact CG2-CD1 3.58Å; I129-F135 HydrophobicContact CG2-CD2 4.16Å; I129-F135 HydrophobicContact CG2-CE1 3.6Å; I129-F135 HydrophobicContact CG2-CE2 4.2Å; I129-F135 HydrophobicContact CG2-CG 3.87Å; I129-F135 HydrophobicContact CG2-CZ 3.93Å; S132-F135 WeakPolarHBondContact O-CB 2.85Å; S132-F135 PolarHBondContact O-N 3.09Å; S132-F135 PolarHBondContact OG-N 3.09Å; F135-D137 VanDerWaalsContact C-N 3.29Å; F135-D137 PolarHBondContact O-N 3.33Å; F135-K138 WeakPolarHBondContact O-CB 3.39Å; F135-K138 PolarHBondContact O-N 2.87Å; F135-Q143 HydrophobicContact CD1-CG 4.43Å; F135-Q143 HydrophobicContact CE1-CB 4.32Å; F135-Q143 HydrophobicContact CE1-CG 3.99Å; F135-Q143 HydrophobicContact CE2-CB 3.96Å; F135-Q143 HydrophobicContact CE2-CG 4.06Å; F135-Q143 HydrophobicContact CZ-CB 3.67Å; F135-Q143 HydrophobicContact CZ-CG 3.79Å; F135-Q143 WeakPolarHBondContact O-CG 3.33Å; F135-Q143 PolarHBondContact O-NE2 2.86Å; F135-Q143 VanDerWaalsContact O-NE2 3.08Å; F135-Y146 AromaticContact CD2-CD1 3.69Å; F135-Y146 HydrophobicContact CD2-CD1 3.69Å; F135-Y146 HydrophobicContact CD2-CE1 4.01Å; F135-Y146 HydrophobicContact CD2-CG 4.31Å; F135-Y146 AromaticContact CE2-CD1 3.61Å; F135-Y146 HydrophobicContact CE2-CD1 3.61Å; F135-Y146 HydrophobicContact CE2-CE1 4.26Å; F135-Y146 HydrophobicContact CE2-CG 4.29Å; F135-I147 HydrophobicContact CE2-CD1 4.49Å; F135-I147 HydrophobicContact CE2-CG1 4.13Å; F135-I147 HydrophobicContact CZ-CD1 3.96Å; F135-I147 HydrophobicContact CZ-CG1 4.09Å
136	R	95	Very high	94.9	Very high	149 Å²	149	59.2 Å²	59.2	56%	0.562	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.5	177.9	66.1	-179.4	-175.9	174.6	-0.2	113.1	A90 G91 K138	A90-R136 WeakPolarHBondContact CA-O 3.37Å; G91-R136 PolarHBondContact N-O 3.23Å; R136-K138 VanDerWaalsContact C-N 3.25Å; R136-K138 PolarHBondContact O-N 2.85Å
137	D	95.4	Very high	94.9	Very high	71 Å²	71	57 Å²	57	38%	0.38	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-13	-178.4	-51.8	-40.2	0	0	0	112.4	F135	F135-D137 VanDerWaalsContact C-N 3.29Å; F135-D137 PolarHBondContact O-N 3.33Å
138	K	95.9	Very high	94.9	Very high	36 Å²	36	60 Å²	60	16%	0.157	29%	0.289	C	S	.	.	S	Bend	trans	-72.5	151.7	176	-78.5	163.5	-168.2	163.3	0	111	G91 I97 T134 F135 R136 A142 Q143	G91-K138 PolarHBondContact N-O 2.65Å; I97-K138 HydrophobicContact CD1-CG 4.22Å; T134-K138 WeakPolarHBondContact O-CE 3.42Å; T134-K138 VanDerWaalsContact O-CG 3.31Å; T134-K138 WeakPolarHBondContact O-CG 3.4Å; T134-K138 PolarHBondContact O-N 2.74Å; F135-K138 WeakPolarHBondContact O-CB 3.39Å; F135-K138 PolarHBondContact O-N 2.87Å; R136-K138 VanDerWaalsContact C-N 3.25Å; R136-K138 PolarHBondContact O-N 2.85Å; K138-A142 HydrophobicContact CB-CB 3.92Å; K138-A142 HydrophobicContact CD-CB 4.49Å; K138-A142 HydrophobicContact CG-CB 4.17Å; K138-Q143 HydrophobicContact CB-CG 3.87Å; K138-Q143 PolarHBondContact O-NE2 2.94Å
139	T	95.7	Very high	94.8	Very high	46 Å²	46	67.6 Å²	67.6	28%	0.282	32%	0.322	S	S	.	.			trans	-61.4	153.8	166.1	68.8	0	0	0	0	111.4	G91 F141 A142 Q143	G91-T139 VanDerWaalsContact O-CA 3.27Å; G91-T139 WeakPolarHBondContact O-CA 3.2Å; T139-F141 PolarHBondContact O-N 3.33Å; T139-A142 CarbonylContact O-C 3.57Å; T139-A142 WeakPolarHBondContact O-CA 3.45Å; T139-A142 WeakPolarHBondContact O-CB 3.5Å; T139-A142 PolarHBondContact O-N 3Å; T139-A142 WeakPolarHBondContact OG1-CB 3.32Å; T139-A142 PolarHBondContact OG1-N 3.16Å; T139-Q143 WeakPolarHBondContact O-CG 3.23Å; T139-Q143 PolarHBondContact O-N 3.42Å
140	E	95.4	Very high	94.8	Very high	108 Å²	108	68.4 Å²	68.4	51%	0.505	33%	0.325	S	S	.	.	H	α-helix	trans	-51.6	-44.1	177.6	-174.2	-176.7	175.1	0	0	111.7	A90 A142 Q143 D144	A90-E140 HydrophobicContact CB-CB 4.44Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.21Å; E140-Q143 WeakPolarHBondContact O-CB 3.47Å; E140-Q143 PolarHBondContact O-N 3.39Å; E140-D144 PolarHBondContact O-N 3.22Å
141	F	93.9	Very high	94.6	Very high	78 Å²	78	66.8 Å²	66.8	34%	0.342	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-34.2	176.9	-60.9	-25.3	0	0	0	113.6	T139 K145 D438 R439	T139-F141 PolarHBondContact O-N 3.33Å; F141-K145 VanDerWaalsContact O-CB 3.23Å; F141-K145 WeakPolarHBondContact O-CB 3.47Å; F141-K145 PolarHBondContact O-N 3.06Å; F141-D438 HydrophobicContact CE2-CB 4.06Å; F141-D438 HydrophobicContact CZ-CB 3.67Å; F141-R439 HydrophobicContact CD1-CG 4.33Å; F141-R439 VanDerWaalsContact CD1-CZ 3.43Å; F141-R439 HydrophobicContact CD2-CG 4.17Å; F141-R439 HydrophobicContact CE1-CG 4.44Å; F141-R439 HydrophobicContact CE2-CG 4.29Å; F141-R439 HydrophobicContact CG-CG 4.2Å; F141-R439 HydrophobicContact CZ-CG 4.44Å
142	A	95.3	Very high	94.3	Very high	34 Å²	34	70.2 Å²	70.2	28%	0.281	33%	0.328	S	S	.	.	H	α-helix	trans	-74.4	-34.5	175.8	0	0	0	0	0	112	K138 T139 E140 Y146	K138-A142 HydrophobicContact CB-CB 3.92Å; K138-A142 HydrophobicContact CD-CB 4.49Å; K138-A142 HydrophobicContact CG-CB 4.17Å; T139-A142 CarbonylContact O-C 3.57Å; T139-A142 WeakPolarHBondContact O-CA 3.45Å; T139-A142 WeakPolarHBondContact O-CB 3.5Å; T139-A142 PolarHBondContact O-N 3Å; T139-A142 WeakPolarHBondContact OG1-CB 3.32Å; T139-A142 PolarHBondContact OG1-N 3.16Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.21Å; A142-Y146 WeakPolarHBondContact O-CB 3.45Å; A142-Y146 PolarHBondContact O-N 3.33Å
143	Q	95.2	Very high	93.9	Very high	8 Å²	8	76.5 Å²	76.5	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-62	-52	170.4	-68.8	179.4	-4.5	0	0	110.7	E89 F135 K138 T139 E140 K145 Y146 I147	E89-Q143 PolarHBondContact O-NE2 2.82Å; F135-Q143 HydrophobicContact CD1-CG 4.43Å; F135-Q143 HydrophobicContact CE1-CB 4.32Å; F135-Q143 HydrophobicContact CE1-CG 3.99Å; F135-Q143 HydrophobicContact CE2-CB 3.96Å; F135-Q143 HydrophobicContact CE2-CG 4.06Å; F135-Q143 HydrophobicContact CZ-CB 3.67Å; F135-Q143 HydrophobicContact CZ-CG 3.79Å; F135-Q143 WeakPolarHBondContact O-CG 3.33Å; F135-Q143 PolarHBondContact O-NE2 2.86Å; F135-Q143 VanDerWaalsContact O-NE2 3.08Å; K138-Q143 HydrophobicContact CB-CG 3.87Å; K138-Q143 PolarHBondContact O-NE2 2.94Å; T139-Q143 WeakPolarHBondContact O-CG 3.23Å; T139-Q143 PolarHBondContact O-N 3.42Å; E140-Q143 WeakPolarHBondContact O-CB 3.47Å; E140-Q143 PolarHBondContact O-N 3.39Å; Q143-K145 VanDerWaalsContact C-N 3.33Å; Q143-K145 PolarHBondContact O-N 3.02Å; Q143-Y146 WeakPolarHBondContact O-CB 3.29Å; Q143-Y146 PolarHBondContact O-N 3.31Å; Q143-Y146 VanDerWaalsContact O-N 3.09Å; Q143-I147 WeakPolarHBondContact O-CG1 3.19Å; Q143-I147 PolarHBondContact O-N 2.83Å
144	D	93.3	Very high	93.5	Very high	46 Å²	46	75 Å²	75	25%	0.246	34%	0.341	C	S	.	.	H	α-helix	trans	-53.8	-47.8	174.6	-83.5	-8	0	0	0	112.1	E140 Y146 I147 K148 R439	E140-D144 PolarHBondContact O-N 3.22Å; D144-Y146 VanDerWaalsContact C-N 3.31Å; D144-Y146 PolarHBondContact O-N 2.87Å; D144-I147 PolarHBondContact O-N 2.9Å; D144-K148 WeakPolarHBondContact O-CB 3.36Å; D144-K148 PolarHBondContact O-N 2.82Å; D144-R439 IonicContact OD2-CZ 3.81Å; D144-R439 IonicContact OD2-NH1 3.63Å; D144-R439 PolarHBondContact OD2-NH1 2.81Å; D144-R439 IonicContact OD2-NH2 3.76Å; D144-R439 PolarHBondContact OD2-NH2 2.87Å
145	K	94.8	Very high	93.1	Very high	164 Å²	164	75 Å²	75	71%	0.713	34%	0.34	S	S	*	.	H	α-helix	trans	-62.7	-39.2	179.1	-173.6	177.8	-178.7	-179.8	0	111.2	F141 Q143 K149	F141-K145 VanDerWaalsContact O-CB 3.23Å; F141-K145 WeakPolarHBondContact O-CB 3.47Å; F141-K145 PolarHBondContact O-N 3.06Å; Q143-K145 VanDerWaalsContact C-N 3.33Å; Q143-K145 PolarHBondContact O-N 3.02Å; K145-K149 WeakPolarHBondContact O-CB 3.44Å; K145-K149 PolarHBondContact O-N 2.8Å; K145-K149 VanDerWaalsContact O-N 3.11Å
146	Y	95.1	Very high	92.4	Very high	37 Å²	37	74.3 Å²	74.3	15%	0.145	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-52.5	175.1	-180	-93.9	0	0	0	111	L128 I129 F135 A142 Q143 D144 K148 K149 K150	L128-Y146 PolarHBondContact O-OH 2.7Å; I129-Y146 HydrophobicContact CG1-CD1 4.43Å; I129-Y146 HydrophobicContact CG1-CE1 4.05Å; F135-Y146 AromaticContact CD2-CD1 3.69Å; F135-Y146 HydrophobicContact CD2-CD1 3.69Å; F135-Y146 HydrophobicContact CD2-CE1 4.01Å; F135-Y146 HydrophobicContact CD2-CG 4.31Å; F135-Y146 AromaticContact CE2-CD1 3.61Å; F135-Y146 HydrophobicContact CE2-CD1 3.61Å; F135-Y146 HydrophobicContact CE2-CE1 4.26Å; F135-Y146 HydrophobicContact CE2-CG 4.29Å; A142-Y146 WeakPolarHBondContact O-CB 3.45Å; A142-Y146 PolarHBondContact O-N 3.33Å; Q143-Y146 WeakPolarHBondContact O-CB 3.29Å; Q143-Y146 PolarHBondContact O-N 3.31Å; Q143-Y146 VanDerWaalsContact O-N 3.09Å; D144-Y146 VanDerWaalsContact C-N 3.31Å; D144-Y146 PolarHBondContact O-N 2.87Å; Y146-K148 PolarHBondContact O-N 3.08Å; Y146-K149 WeakPolarHBondContact O-CB 3.38Å; Y146-K149 PolarHBondContact O-N 3.36Å; Y146-K149 VanDerWaalsContact O-N 3.16Å; Y146-K150 HydrophobicContact CD1-CG 4.2Å; Y146-K150 HydrophobicContact CE1-CG 3.95Å; Y146-K150 VanDerWaalsContact CE2-CE 3.42Å; Y146-K150 WeakPolarHBondContact O-CG 3.46Å; Y146-K150 PolarHBondContact O-N 3.28Å; Y146-K150 VanDerWaalsContact OH-CE 3.3Å; Y146-K150 WeakPolarHBondContact OH-CE 3.28Å
147	I	94	Very high	92.3	Very high	40 Å²	40	69.5 Å²	69.5	21%	0.205	33%	0.325	C	S	.	.	H	α-helix	trans	-56.5	-50.6	179	-65.2	170.2	0	0	0	109.9	I129 F135 Q143 D144 K149 K150 K151	I129-I147 HydrophobicContact CD1-CD1 4.34Å; I129-I147 HydrophobicContact CD1-CG1 3.9Å; F135-I147 HydrophobicContact CE2-CD1 4.49Å; F135-I147 HydrophobicContact CE2-CG1 4.13Å; F135-I147 HydrophobicContact CZ-CD1 3.96Å; F135-I147 HydrophobicContact CZ-CG1 4.09Å; Q143-I147 WeakPolarHBondContact O-CG1 3.19Å; Q143-I147 PolarHBondContact O-N 2.83Å; D144-I147 PolarHBondContact O-N 2.9Å; I147-K149 VanDerWaalsContact C-N 3.29Å; I147-K149 PolarHBondContact O-N 3.06Å; I147-K150 PolarHBondContact O-N 3.2Å; I147-K151 HydrophobicContact CG2-CD 4Å; I147-K151 HydrophobicContact CG2-CG 4Å; I147-K151 WeakPolarHBondContact O-CG 3.47Å; I147-K151 PolarHBondContact O-N 3.34Å
148	K	91.8	Very high	92.2	Very high	122 Å²	122	66.1 Å²	66.1	53%	0.53	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-41.8	179.1	-174	174.5	-177.3	173.1	0	112.3	D144 Y146 K150 K152	D144-K148 WeakPolarHBondContact O-CB 3.36Å; D144-K148 PolarHBondContact O-N 2.82Å; Y146-K148 PolarHBondContact O-N 3.08Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K148-K150 PolarHBondContact O-N 3.04Å; K148-K152 WeakPolarHBondContact O-CB 3.36Å; K148-K152 PolarHBondContact O-N 3.46Å
149	K	93.3	Very high	92.2	Very high	159 Å²	159	65.9 Å²	65.9	69%	0.691	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-38.6	176.2	-176	177.7	-179.7	179	0	112	K145 Y146 I147	K145-K149 WeakPolarHBondContact O-CB 3.44Å; K145-K149 PolarHBondContact O-N 2.8Å; K145-K149 VanDerWaalsContact O-N 3.11Å; Y146-K149 WeakPolarHBondContact O-CB 3.38Å; Y146-K149 PolarHBondContact O-N 3.36Å; Y146-K149 VanDerWaalsContact O-N 3.16Å; I147-K149 VanDerWaalsContact C-N 3.29Å; I147-K149 PolarHBondContact O-N 3.06Å
150	K	93.2	Very high	92.3	Very high	43 Å²	43	63.7 Å²	63.7	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-73.3	-48.1	178.2	-60.7	-59.8	-172.5	164.5	0	111.3	V125 L128 Y146 I147 K148 K152 K153 Y154	V125-K150 HydrophobicContact CB-CB 4.48Å; V125-K150 HydrophobicContact CG1-CB 4.01Å; V125-K150 HydrophobicContact CG2-CB 3.92Å; L128-K150 HydrophobicContact CD1-CD 4.02Å; Y146-K150 HydrophobicContact CD1-CG 4.2Å; Y146-K150 HydrophobicContact CE1-CG 3.95Å; Y146-K150 VanDerWaalsContact CE2-CE 3.42Å; Y146-K150 WeakPolarHBondContact O-CG 3.46Å; Y146-K150 PolarHBondContact O-N 3.28Å; Y146-K150 VanDerWaalsContact OH-CE 3.3Å; Y146-K150 WeakPolarHBondContact OH-CE 3.28Å; I147-K150 PolarHBondContact O-N 3.2Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K148-K150 PolarHBondContact O-N 3.04Å; K150-K152 PolarHBondContact O-N 3Å; K150-K153 PolarHBondContact O-N 2.97Å; K150-Y154 HydrophobicContact CB-CD2 4.32Å; K150-Y154 HydrophobicContact CD-CE2 4.05Å; K150-Y154 WeakPolarHBondContact O-CD2 3.39Å; K150-Y154 PolarHBondContact O-N 3.03Å
151	K	90.8	Very high	92.4	Very high	89 Å²	89	59.6 Å²	59.6	39%	0.387	28%	0.277	S	S	.	.	H	α-helix	trans	-54.1	-48.9	175.2	-68	-162.5	169.7	-171.2	0	112	V125 I147 K153 Y154 E155	V125-K151 HydrophobicContact CG1-CG 4.33Å; V125-K151 HydrophobicContact CG2-CG 4.31Å; I147-K151 HydrophobicContact CG2-CD 4Å; I147-K151 HydrophobicContact CG2-CG 4Å; I147-K151 WeakPolarHBondContact O-CG 3.47Å; I147-K151 PolarHBondContact O-N 3.34Å; K151-K153 PolarHBondContact O-N 2.84Å; K151-K153 VanDerWaalsContact O-N 3.08Å; K151-Y154 PolarHBondContact O-N 3.39Å; K151-E155 HydrophobicContact CB-CG 4.41Å; K151-E155 VanDerWaalsContact CD-OE1 3.23Å; K151-E155 WeakPolarHBondContact CD-OE1 3.4Å; K151-E155 WeakPolarHBondContact CE-OE1 3.39Å; K151-E155 HydrophobicContact CG-CG 4.48Å; K151-E155 VanDerWaalsContact CG-OE1 3.24Å; K151-E155 WeakPolarHBondContact CG-OE1 3.5Å; K151-E155 IonicContact NZ-OE1 3.36Å; K151-E155 WeakPolarHBondContact O-CA 3.44Å; K151-E155 VanDerWaalsContact O-CB 3.32Å; K151-E155 WeakPolarHBondContact O-CB 3.48Å; K151-E155 PolarHBondContact O-N 3.16Å
152	K	89.1	Confident	92.6	Very high	123 Å²	123	61.9 Å²	61.9	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-52.9	-36.3	176.8	-179.3	171.7	178.7	176.5	0	113.5	R30 E31 K148 K150	R30-K152 PolarHBondContact NH2-O 3.03Å; E31-K152 HydrophobicContact CG-CD 4.3Å; E31-K152 HydrophobicContact CG-CG 4.17Å; K148-K152 WeakPolarHBondContact O-CB 3.36Å; K148-K152 PolarHBondContact O-N 3.46Å; K150-K152 PolarHBondContact O-N 3Å
153	K	87.8	Confident	92.7	Very high	141 Å²	141	61 Å²	61	61%	0.613	28%	0.278	S	S	*	.	H	α-helix	trans	-81.7	-44.6	-178.5	-178.5	173.3	-75.2	-166	0	112.8	K150 K151	K150-K153 PolarHBondContact O-N 2.97Å; K151-K153 PolarHBondContact O-N 2.84Å; K151-K153 VanDerWaalsContact O-N 3.08Å
154	Y	87.4	Confident	92.9	Very high	33 Å²	33	61.7 Å²	61.7	13%	0.129	28%	0.284	C	S	.	.	H	α-helix	trans	-102.5	-31.2	-169.4	-59.6	-75	0	0	0	113.8	I111 G121 I124 V125 L128 K150 K151 A156	I111-Y154 HydrophobicContact CG2-CE1 4Å; G121-Y154 WeakPolarHBondContact CA-O 3.27Å; I124-Y154 HydrophobicContact CD1-CD1 4.46Å; I124-Y154 HydrophobicContact CG2-CD1 3.78Å; I124-Y154 HydrophobicContact CG2-CD2 4.31Å; I124-Y154 HydrophobicContact CG2-CE1 3.92Å; I124-Y154 HydrophobicContact CG2-CE2 4.49Å; I124-Y154 HydrophobicContact CG2-CG 3.98Å; V125-Y154 HydrophobicContact CG2-CD2 4.28Å; L128-Y154 HydrophobicContact CD1-CD2 4.09Å; L128-Y154 HydrophobicContact CD1-CE2 3.43Å; L128-Y154 VanDerWaalsContact CD1-CE2 3.43Å; K150-Y154 HydrophobicContact CB-CD2 4.32Å; K150-Y154 HydrophobicContact CD-CE2 4.05Å; K150-Y154 WeakPolarHBondContact O-CD2 3.39Å; K150-Y154 PolarHBondContact O-N 3.03Å; K151-Y154 PolarHBondContact O-N 3.39Å; Y154-A156 PolarHBondContact O-N 3.31Å
155	E	86.1	Confident	93.2	Very high	20 Å²	20	60.2 Å²	60.2	9%	0.093	28%	0.277	C	S	.	.			trans	-85.7	93	172.3	-64	-174.6	-148	0	0	109.6	K77 K151 I157	K77-E155 IonicContact NZ-OE2 2.81Å; K77-E155 PolarHBondContact NZ-OE2 3.43Å; K151-E155 HydrophobicContact CB-CG 4.41Å; K151-E155 VanDerWaalsContact CD-OE1 3.23Å; K151-E155 WeakPolarHBondContact CD-OE1 3.4Å; K151-E155 WeakPolarHBondContact CE-OE1 3.39Å; K151-E155 HydrophobicContact CG-CG 4.48Å; K151-E155 VanDerWaalsContact CG-OE1 3.24Å; K151-E155 WeakPolarHBondContact CG-OE1 3.5Å; K151-E155 IonicContact NZ-OE1 3.36Å; K151-E155 WeakPolarHBondContact O-CA 3.44Å; K151-E155 VanDerWaalsContact O-CB 3.32Å; K151-E155 WeakPolarHBondContact O-CB 3.48Å; K151-E155 PolarHBondContact O-N 3.16Å; E155-I157 VanDerWaalsContact C-N 3.29Å; E155-I157 HydrophobicContact CB-CD1 4.2Å; E155-I157 HydrophobicContact CB-CG1 4.14Å; E155-I157 PolarHBondContact O-N 3.49Å
156	A	82.9	Confident	93.4	Very high	13 Å²	13	60.3 Å²	60.3	11%	0.107	27%	0.272	C	S	.	.			trans	-77.7	77.8	175.8	0	0	0	0	0	111.6	Q50 Y154	Q50-A156 VanDerWaalsContact NE2-CB 3.31Å; Y154-A156 PolarHBondContact O-N 3.31Å
157	I	90.8	Very high	93.5	Very high	49 Å²	49	58.9 Å²	58.9	25%	0.251	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.2	-179.1	-61.1	179.1	0	0	0	109.8	T65 K77 E155	T65-I157 HydrophobicContact CG2-CB 4.44Å; T65-I157 HydrophobicContact CG2-CG2 2.99Å; K77-I157 HydrophobicContact CD-CD1 4.17Å; K77-I157 HydrophobicContact CD-CG1 4.49Å; E155-I157 VanDerWaalsContact C-N 3.29Å; E155-I157 HydrophobicContact CB-CD1 4.2Å; E155-I157 HydrophobicContact CB-CG1 4.14Å; E155-I157 PolarHBondContact O-N 3.49Å
158	I	94.8	Very high	93.8	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.6	-179.9	-58.6	171.6	0	0	0	109.3	L28 K29 F47 F52 T65 F66 V68 L74	L28-I158 HydrophobicContact CB-CG2 4.3Å; L28-I158 HydrophobicContact CD2-CG2 4.48Å; K29-I158 CarbonylContact O-C 3.5Å; K29-I158 WeakPolarHBondContact O-CA 3.27Å; F47-I158 HydrophobicContact CD1-CD1 4.34Å; F47-I158 HydrophobicContact CD1-CG1 4.43Å; F52-I158 HydrophobicContact CD1-CD1 3.96Å; F52-I158 HydrophobicContact CE1-CD1 3.42Å; F52-I158 VanDerWaalsContact CE1-CD1 3.42Å; F52-I158 HydrophobicContact CZ-CD1 3.79Å; T65-I158 CarbonylContact C-O 3.59Å; T65-I158 WeakPolarHBondContact CA-O 3.17Å; F66-I158 PolarHBondContact N-O 3.08Å; F66-I158 PolarHBondContact O-N 2.61Å; V68-I158 HydrophobicContact CG2-CD1 3.61Å; L74-I158 HydrophobicContact CD2-CD1 4.24Å
159	T	96.6	Very high	94.1	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.184	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.4	172.3	-51.3	0	0	0	0	109.6	K29 G63 T64 T65 V161	K29-T159 PolarHBondContact N-O 3.5Å; K29-T159 PolarHBondContact O-N 3.18Å; G63-T159 WeakPolarHBondContact O-CG2 3.39Å; T64-T159 WeakPolarHBondContact O-CA 3.38Å; T65-T159 PolarHBondContact OG1-OG1 3.16Å; T65-T159 VanDerWaalsContact OG1-OG1 3.09Å; T159-V161 HydrophobicContact CG2-CG1 3.81Å
160	V	97.4	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119	174.2	-175.9	0	0	0	0	108.8	I20 V26 L28 V57 G63 T64 F66	I20-V160 HydrophobicContact CD1-CB 3.88Å; I20-V160 HydrophobicContact CD1-CG1 3.66Å; I20-V160 HydrophobicContact CG1-CG1 4.29Å; V26-V160 HydrophobicContact CB-CG1 3.86Å; V26-V160 HydrophobicContact CG1-CG1 4.21Å; V26-V160 HydrophobicContact CG2-CG1 3.98Å; L28-V160 HydrophobicContact CD2-CG2 3.99Å; V57-V160 HydrophobicContact CB-CG2 4.37Å; V57-V160 HydrophobicContact CG1-CG2 4.09Å; G63-V160 PolarHBondContact N-O 3.01Å; T64-V160 PolarHBondContact O-N 3.41Å; T64-V160 VanDerWaalsContact O-N 3.09Å; F66-V160 HydrophobicContact CD2-CG2 4.03Å; F66-V160 HydrophobicContact CE2-CB 4.45Å; F66-V160 HydrophobicContact CE2-CG2 3.93Å
161	V	97.6	Very high	94.6	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.6	-175.8	-60.1	0	0	0	0	111.8	V27 Y62 T159 I167	V27-V161 HydrophobicContact CB-CG2 3.92Å; V27-V161 HydrophobicContact CG1-CG2 4.44Å; V27-V161 PolarHBondContact N-O 3.38Å; V27-V161 WeakPolarHBondContact O-CG2 3.19Å; V27-V161 PolarHBondContact O-N 3.27Å; Y62-V161 VanDerWaalsContact CD1-C 3.48Å; T159-V161 HydrophobicContact CG2-CG1 3.81Å; V161-I167 HydrophobicContact CB-CD1 4.23Å; V161-I167 HydrophobicContact CG2-CD1 3.76Å; V161-I167 HydrophobicContact CG2-CG2 4.41Å
162	K	97.4	Very high	95	Very high	126 Å²	126	40.9 Å²	40.9	55%	0.548	19%	0.19	S	C	.	.			trans	-71.2	136.3	179.7	-165	170.5	-177.9	174.8	0	109.7	Y62 I167	Y62-K162 VanDerWaalsContact CD1-CA 3.49Å; Y62-K162 HydrophobicContact CD1-CB 3.68Å; Y62-K162 HydrophobicContact CD1-CG 4.4Å; Y62-K162 HydrophobicContact CD2-CB 4.32Å; Y62-K162 HydrophobicContact CD2-CD 4.44Å; Y62-K162 HydrophobicContact CE1-CB 3.96Å; Y62-K162 HydrophobicContact CE1-CG 4.24Å; Y62-K162 HydrophobicContact CE2-CD 4.46Å; Y62-K162 HydrophobicContact CE2-CG 4.47Å; Y62-K162 HydrophobicContact CG-CB 3.85Å; K162-I167 VanDerWaalsContact O-CD1 3.26Å; K162-I167 WeakPolarHBondContact O-CD1 3.43Å
163	P	98.3	Very high	95.4	Very high	15 Å²	15	37.6 Å²	37.6	10%	0.097	18%	0.175	C	C	.	.			trans	-58.4	144.5	173.3	-21	32.5	0	0	0	111.4	F25 V27 L168 C243	F25-P163 HydrophobicContact CB-CG 4.42Å; F25-P163 VanDerWaalsContact O-CD 3.23Å; F25-P163 WeakPolarHBondContact O-CD 3.25Å; F25-P163 WeakPolarHBondContact O-CG 3.39Å; V27-P163 HydrophobicContact CG2-CB 4.28Å; V27-P163 HydrophobicContact CG2-CG 4.22Å; P163-L168 HydrophobicContact CB-CD1 4.18Å; P163-L168 HydrophobicContact CB-CG 4.49Å; P163-C243 WeakPolarHBondContact CB-O 3.26Å; P163-C243 WeakPolarHBondContact CG-O 3.34Å
164	S	98.6	Very high	95.8	Very high	24 Å²	24	34.5 Å²	34.5	17%	0.168	18%	0.175	C	C	.	.			trans	-158.8	161.4	172.1	55.6	0	0	0	0	109.3	R166 I167 L168 E219	S164-R166 PolarHBondContact O-N 3.28Å; S164-I167 PolarHBondContact O-N 3.01Å; S164-I167 PolarHBondContact OG-N 3.49Å; S164-L168 WeakPolarHBondContact O-CB 3.19Å; S164-L168 WeakPolarHBondContact O-CG 3.37Å; S164-L168 PolarHBondContact O-N 3.2Å; S164-E219 VanDerWaalsContact CA-OE2 3.25Å; S164-E219 WeakPolarHBondContact CA-OE2 3.47Å
165	T	98.9	Very high	96.2	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.092	19%	0.189	C	C	.	.	H	α-helix	trans	-49.5	-45.2	173.9	-58.3	0	0	0	0	110.8	I167 S169 L188 L192 A216 E219	T165-I167 PolarHBondContact O-N 3.16Å; T165-S169 WeakPolarHBondContact O-CB 3.27Å; T165-S169 PolarHBondContact O-N 2.84Å; T165-S169 PolarHBondContact O-OG 3.03Å; T165-L188 HydrophobicContact CG2-CD2 3.97Å; T165-L192 HydrophobicContact CG2-CD1 4.34Å; T165-A216 HydrophobicContact CG2-CB 3.56Å; T165-A216 WeakPolarHBondContact OG1-CA 3.49Å; T165-E219 WeakPolarHBondContact CB-OE1 3.37Å; T165-E219 PolarHBondContact N-OE1 3.19Å; T165-E219 PolarHBondContact N-OE2 2.87Å; T165-E219 PolarHBondContact OG1-OE1 3.05Å; T165-E219 PolarHBondContact OG1-OE2 3.18Å
166	R	98.7	Very high	96.7	Very high	165 Å²	165	40.5 Å²	40.5	62%	0.623	20%	0.2	S	C	*	.	H	α-helix	trans	-56.4	-50.2	179.5	-179.7	176.4	59.2	76.9	1.4	112	S164 S169 I170	S164-R166 PolarHBondContact O-N 3.28Å; R166-S169 PolarHBondContact O-OG 3.27Å; R166-I170 HydrophobicContact CG-CD1 4.19Å; R166-I170 VanDerWaalsContact O-CD1 3.29Å; R166-I170 WeakPolarHBondContact O-CD1 3.49Å; R166-I170 WeakPolarHBondContact O-CG1 3.34Å; R166-I170 PolarHBondContact O-N 3.04Å
167	I	98.7	Very high	97.4	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-74.1	-45.4	-175.1	-68.5	163.7	0	0	0	110.8	V27 F34 V161 K162 S164 T165 I170 M171	V27-I167 HydrophobicContact CB-CG2 3.93Å; V27-I167 HydrophobicContact CG1-CG2 3.66Å; V27-I167 HydrophobicContact CG2-CG2 3.92Å; F34-I167 HydrophobicContact CD1-CG2 3.75Å; F34-I167 HydrophobicContact CE1-CG2 4.01Å; F34-I167 HydrophobicContact CG-CG2 4.44Å; V161-I167 HydrophobicContact CB-CD1 4.23Å; V161-I167 HydrophobicContact CG2-CD1 3.76Å; V161-I167 HydrophobicContact CG2-CG2 4.41Å; K162-I167 VanDerWaalsContact O-CD1 3.26Å; K162-I167 WeakPolarHBondContact O-CD1 3.43Å; S164-I167 PolarHBondContact O-N 3.01Å; S164-I167 PolarHBondContact OG-N 3.49Å; T165-I167 PolarHBondContact O-N 3.16Å; I167-I170 PolarHBondContact O-N 3.11Å; I167-M171 VanDerWaalsContact O-CB 3.31Å; I167-M171 WeakPolarHBondContact O-CB 3.45Å; I167-M171 PolarHBondContact O-N 3.13Å
168	L	98.8	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-40.2	-176.9	-66.5	175.8	0	0	0	111.5	V27 A36 P163 S164 M171 Y172 L212 C243 F244	V27-L168 HydrophobicContact CG2-CD2 3.86Å; A36-L168 HydrophobicContact CB-CD2 4.18Å; P163-L168 HydrophobicContact CB-CD1 4.18Å; P163-L168 HydrophobicContact CB-CG 4.49Å; S164-L168 WeakPolarHBondContact O-CB 3.19Å; S164-L168 WeakPolarHBondContact O-CG 3.37Å; S164-L168 PolarHBondContact O-N 3.2Å; L168-M171 HydrophobicContact CD2-CE 3.77Å; L168-M171 HydrophobicContact CD2-SD 4.48Å; L168-M171 WeakPolarHBondContact O-CB 3.25Å; L168-M171 PolarHBondContact O-N 3.1Å; L168-Y172 WeakPolarHBondContact O-CD2 3.22Å; L168-Y172 PolarHBondContact O-N 3.43Å; L168-L212 HydrophobicContact CB-CD1 4.05Å; L168-C243 HydrophobicContact CD1-CB 4.04Å; L168-C243 HydrophobicContact CD2-CB 3.92Å; L168-F244 HydrophobicContact CD1-CD1 3.97Å; L168-F244 HydrophobicContact CD1-CD2 3.42Å; L168-F244 VanDerWaalsContact CD1-CD2 3.42Å; L168-F244 HydrophobicContact CD1-CE1 3.98Å; L168-F244 HydrophobicContact CD1-CE2 3.42Å; L168-F244 VanDerWaalsContact CD1-CE2 3.42Å; L168-F244 HydrophobicContact CD1-CG 3.71Å; L168-F244 HydrophobicContact CD1-CZ 3.72Å
169	S	98.7	Very high	97.9	Very high	5 Å²	5	45.9 Å²	45.9	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-39.9	176.7	60.5	0	0	0	0	113	T165 R166 Y173 Y185	T165-S169 WeakPolarHBondContact O-CB 3.27Å; T165-S169 PolarHBondContact O-N 2.84Å; T165-S169 PolarHBondContact O-OG 3.03Å; R166-S169 PolarHBondContact O-OG 3.27Å; S169-Y173 WeakPolarHBondContact O-CB 3.26Å; S169-Y173 PolarHBondContact O-N 3.23Å; S169-Y185 WeakPolarHBondContact OG-CB 3.35Å
170	I	98.4	Very high	98	Very high	42 Å²	42	44.4 Å²	44.4	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-46.4	171.3	-68.7	168.3	0	0	0	110.4	F34 R166 I167 Y173 A174 Y185	F34-I170 HydrophobicContact CD2-CG2 4.13Å; F34-I170 HydrophobicContact CE2-CG2 3.89Å; R166-I170 HydrophobicContact CG-CD1 4.19Å; R166-I170 VanDerWaalsContact O-CD1 3.29Å; R166-I170 WeakPolarHBondContact O-CD1 3.49Å; R166-I170 WeakPolarHBondContact O-CG1 3.34Å; R166-I170 PolarHBondContact O-N 3.04Å; I167-I170 PolarHBondContact O-N 3.11Å; I170-Y173 PolarHBondContact O-N 3.39Å; I170-A174 WeakPolarHBondContact O-CB 3.26Å; I170-A174 PolarHBondContact O-N 3.37Å; I170-Y185 HydrophobicContact CB-CD1 4.3Å; I170-Y185 HydrophobicContact CG1-CD1 3.73Å; I170-Y185 HydrophobicContact CG1-CD2 3.91Å; I170-Y185 HydrophobicContact CG1-CE1 4.01Å; I170-Y185 HydrophobicContact CG1-CE2 4.15Å; I170-Y185 HydrophobicContact CG1-CG 3.68Å
171	M	98.6	Very high	98	Very high	14 Å²	14	45.3 Å²	45.3	7%	0.069	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-51.9	179.5	179.6	-171.7	75.3	0	0	111.8	V27 F34 A36 I167 L168 Y173 A174 R175	V27-M171 HydrophobicContact CG1-SD 4.43Å; F34-M171 HydrophobicContact CB-CB 3.7Å; F34-M171 HydrophobicContact CB-CG 3.71Å; F34-M171 HydrophobicContact CB-SD 4.31Å; F34-M171 HydrophobicContact CG-CB 4.49Å; A36-M171 HydrophobicContact CB-CE 3.77Å; A36-M171 HydrophobicContact CB-SD 3.75Å; A36-M171 PolarHBondContact N-SD 3.34Å; I167-M171 VanDerWaalsContact O-CB 3.31Å; I167-M171 WeakPolarHBondContact O-CB 3.45Å; I167-M171 PolarHBondContact O-N 3.13Å; L168-M171 HydrophobicContact CD2-CE 3.77Å; L168-M171 HydrophobicContact CD2-SD 4.48Å; L168-M171 WeakPolarHBondContact O-CB 3.25Å; L168-M171 PolarHBondContact O-N 3.1Å; M171-Y173 PolarHBondContact O-N 2.64Å; M171-A174 PolarHBondContact O-N 3.48Å; M171-R175 VanDerWaalsContact O-CB 3.25Å; M171-R175 WeakPolarHBondContact O-CB 3.47Å; M171-R175 PolarHBondContact O-N 2.81Å
172	Y	98.6	Very high	98	Very high	14 Å²	14	47.6 Å²	47.6	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-41.6	-178.6	-90.7	-85	0	0	0	111.6	L168 A174 E176 P177 I180 A210 L212 A240	L168-Y172 WeakPolarHBondContact O-CD2 3.22Å; L168-Y172 PolarHBondContact O-N 3.43Å; Y172-A174 VanDerWaalsContact C-N 3.3Å; Y172-A174 PolarHBondContact O-N 3.43Å; Y172-E176 HydrophobicContact CD1-CB 4.07Å; Y172-E176 CarbonylContact O-C 3.53Å; Y172-E176 WeakPolarHBondContact O-CA 3.38Å; Y172-E176 PolarHBondContact O-N 3.38Å; Y172-P177 VanDerWaalsContact O-N 3.1Å; Y172-I180 HydrophobicContact CD1-CG2 3.89Å; Y172-I180 HydrophobicContact CG-CG2 4.17Å; Y172-A210 HydrophobicContact CE1-CB 4.27Å; Y172-L212 HydrophobicContact CD2-CD1 4.24Å; Y172-L212 HydrophobicContact CD2-CD2 4.39Å; Y172-L212 HydrophobicContact CG-CD2 4.32Å; Y172-A240 HydrophobicContact CD2-CB 4.4Å; Y172-A240 HydrophobicContact CE1-CB 4.36Å; Y172-A240 HydrophobicContact CE2-CB 3.51Å; Y172-A240 VanDerWaalsContact CZ-CB 3.49Å; Y172-A240 VanDerWaalsContact OH-CA 3.29Å; Y172-A240 WeakPolarHBondContact OH-CA 3.1Å; Y172-A240 WeakPolarHBondContact OH-CB 3.12Å
173	Y	97.7	Very high	98.1	Very high	54 Å²	54	41.7 Å²	41.7	21%	0.212	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-35.5	177.1	-172.6	-103.1	0	0	0	112.7	S169 I170 M171 P177 H182 R184 Y185 G449	S169-Y173 WeakPolarHBondContact O-CB 3.26Å; S169-Y173 PolarHBondContact O-N 3.23Å; I170-Y173 PolarHBondContact O-N 3.39Å; M171-Y173 PolarHBondContact O-N 2.64Å; Y173-P177 WeakPolarHBondContact O-CB 3.49Å; Y173-H182 WeakPolarHBondContact CE2-O 3.36Å; Y173-R184 HydrophobicContact CD1-CG 3.9Å; Y173-R184 HydrophobicContact CD2-CB 3.92Å; Y173-R184 HydrophobicContact CD2-CG 4.11Å; Y173-R184 HydrophobicContact CE1-CB 4.35Å; Y173-R184 HydrophobicContact CE1-CG 3.68Å; Y173-R184 HydrophobicContact CE2-CB 3.64Å; Y173-R184 HydrophobicContact CE2-CG 3.91Å; Y173-R184 HydrophobicContact CG-CB 4.39Å; Y173-R184 HydrophobicContact CG-CG 4.1Å; Y173-Y185 HydrophobicContact CD1-CD1 4.38Å; Y173-Y185 HydrophobicContact CD1-CE1 4.07Å; Y173-Y185 HydrophobicContact CG-CD1 4.44Å; Y173-G449 PolarHBondContact OH-O 3.28Å
174	A	96.2	Very high	98	Very high	76 Å²	76	41.4 Å²	41.4	63%	0.628	21%	0.213	S	C	*	.	H	α-helix	trans	-81	-37.1	179.5	0	0	0	0	0	113.7	I170 M171 Y172	I170-A174 WeakPolarHBondContact O-CB 3.26Å; I170-A174 PolarHBondContact O-N 3.37Å; M171-A174 PolarHBondContact O-N 3.48Å; Y172-A174 VanDerWaalsContact C-N 3.3Å; Y172-A174 PolarHBondContact O-N 3.43Å
175	R	95.9	Very high	98	Very high	113 Å²	113	43.8 Å²	43.8	43%	0.426	22%	0.219	S	C	.	.	H	α-helix	trans	-100	-36.4	-170.8	-170.6	178	-99.4	-76.8	-7.8	113.3	F34 M171	F34-R175 PolarHBondContact O-NE 3.07Å; M171-R175 VanDerWaalsContact O-CB 3.25Å; M171-R175 WeakPolarHBondContact O-CB 3.47Å; M171-R175 PolarHBondContact O-N 2.81Å
176	E	96.5	Very high	98	Very high	66 Å²	66	44.1 Å²	44.1	31%	0.308	22%	0.22	S	C	.	.			trans	-142.3	49.7	-169.7	-68.7	-73.5	-168.4	0	0	111.9	Y172 G178 K179	Y172-E176 HydrophobicContact CD1-CB 4.07Å; Y172-E176 CarbonylContact O-C 3.53Å; Y172-E176 WeakPolarHBondContact O-CA 3.38Å; Y172-E176 PolarHBondContact O-N 3.38Å; E176-G178 PolarHBondContact O-N 2.79Å; E176-K179 HydrophobicContact CB-CB 4.32Å; E176-K179 HydrophobicContact CB-CD 4.01Å; E176-K179 HydrophobicContact CB-CG 4.24Å; E176-K179 HydrophobicContact CG-CD 4.14Å; E176-K179 PolarHBondContact O-N 2.98Å; E176-K179 IonicContact OE1-NZ 3.18Å; E176-K179 PolarHBondContact OE1-NZ 3.49Å; E176-K179 WeakPolarHBondContact OE2-CD 3.31Å; E176-K179 WeakPolarHBondContact OE2-CE 3.19Å; E176-K179 IonicContact OE2-NZ 3.84Å; E176-K179 PolarHBondContact OE2-NZ 3.4Å
177	P	97.2	Very high	98	Very high	37 Å²	37	36.3 Å²	36.3	24%	0.24	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.8	-33.2	-171.8	22.6	-32.9	0	0	0	112.9	Y172 Y173 K179 I180 N181 H182	Y172-P177 VanDerWaalsContact O-N 3.1Å; Y173-P177 WeakPolarHBondContact O-CB 3.49Å; P177-K179 VanDerWaalsContact C-N 3.29Å; P177-K179 PolarHBondContact O-N 3.38Å; P177-I180 CarbonylContact O-C 3.59Å; P177-I180 WeakPolarHBondContact O-CG1 3.49Å; P177-I180 PolarHBondContact O-N 3.34Å; P177-I180 VanDerWaalsContact O-N 3.14Å; P177-N181 PolarHBondContact O-N 3.04Å; P177-H182 PolarHBondContact O-N 3.2Å
178	G	97.9	Very high	98	Very high	49 Å²	49	36 Å²	36	51%	0.505	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-60.6	-34.1	176.5	0	0	0	0	0	113.6	E176 I180 N181	E176-G178 PolarHBondContact O-N 2.79Å; G178-I180 PolarHBondContact O-N 3.11Å; G178-N181 PolarHBondContact O-N 3.07Å
179	K	98.4	Very high	98	Very high	88 Å²	88	38.1 Å²	38.1	38%	0.383	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-69.1	-16.2	178.8	-66.6	-175	178.9	152.8	0	113.3	E176 P177 C209 A210	E176-K179 HydrophobicContact CB-CB 4.32Å; E176-K179 HydrophobicContact CB-CD 4.01Å; E176-K179 HydrophobicContact CB-CG 4.24Å; E176-K179 HydrophobicContact CG-CD 4.14Å; E176-K179 PolarHBondContact O-N 2.98Å; E176-K179 IonicContact OE1-NZ 3.18Å; E176-K179 PolarHBondContact OE1-NZ 3.49Å; E176-K179 WeakPolarHBondContact OE2-CD 3.31Å; E176-K179 WeakPolarHBondContact OE2-CE 3.19Å; E176-K179 IonicContact OE2-NZ 3.84Å; E176-K179 PolarHBondContact OE2-NZ 3.4Å; P177-K179 VanDerWaalsContact C-N 3.29Å; P177-K179 PolarHBondContact O-N 3.38Å; K179-C209 CarbonylContact O-C 3.25Å; K179-C209 WeakPolarHBondContact O-CA 3.38Å; K179-A210 HydrophobicContact CB-CB 4.49Å
180	I	98.6	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-121.2	23	-179.7	63.2	160.8	0	0	0	112.2	Y172 P177 G178 H182 M183 C209 L212	Y172-I180 HydrophobicContact CD1-CG2 3.89Å; Y172-I180 HydrophobicContact CG-CG2 4.17Å; P177-I180 CarbonylContact O-C 3.59Å; P177-I180 WeakPolarHBondContact O-CG1 3.49Å; P177-I180 PolarHBondContact O-N 3.34Å; P177-I180 VanDerWaalsContact O-N 3.14Å; G178-I180 PolarHBondContact O-N 3.11Å; I180-H182 PolarHBondContact O-N 3.2Å; I180-H182 VanDerWaalsContact O-N 3.16Å; I180-M183 WeakPolarHBondContact CD1-O 3.47Å; I180-M183 VanDerWaalsContact O-CB 3.23Å; I180-M183 WeakPolarHBondContact O-CB 3.32Å; I180-M183 PolarHBondContact O-N 3.43Å; I180-C209 HydrophobicContact CB-CB 4.26Å; I180-C209 HydrophobicContact CG2-CB 4.25Å; I180-L212 HydrophobicContact CD1-CD2 4.1Å; I180-L212 HydrophobicContact CG2-CB 4.33Å; I180-L212 HydrophobicContact CG2-CD2 3.85Å
181	N	98.1	Very high	98	Very high	19 Å²	19	39.7 Å²	39.7	10%	0.102	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	35.3	179	-55	-73.1	0	0	0	113	P177 G178 M183 T208 C209 R377 Y400	P177-N181 PolarHBondContact O-N 3.04Å; G178-N181 PolarHBondContact O-N 3.07Å; N181-M183 PolarHBondContact O-N 2.97Å; N181-M183 VanDerWaalsContact O-N 3.16Å; N181-T208 PolarHBondContact ND2-O 2.67Å; N181-C209 PolarHBondContact ND2-SG 2.84Å; N181-R377 WeakPolarHBondContact OD1-CB 3.36Å; N181-Y400 HydrophobicContact CB-CE1 3.93Å; N181-Y400 PolarHBondContact O-OH 2.83Å
182	H	97.9	Very high	98	Very high	69 Å²	69	39.4 Å²	39.4	32%	0.319	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	25.3	-176.7	-59.8	79.7	0	0	0	114.5	Y173 P177 I180 R184 Y400 Q402	Y173-H182 WeakPolarHBondContact CE2-O 3.36Å; P177-H182 PolarHBondContact O-N 3.2Å; I180-H182 PolarHBondContact O-N 3.2Å; I180-H182 VanDerWaalsContact O-N 3.16Å; H182-R184 PolarHBondContact O-N 2.87Å; H182-Y400 PolarHBondContact O-OH 3.49Å; H182-Q402 HydrophobicContact CB-CG 4.46Å; H182-Q402 PolarHBondContact ND1-NE2 3.05Å
183	M	98.6	Very high	98.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.234	C	C	.	.			trans	-69.3	112.8	176.7	-177	-177.5	59.4	0	0	110	I180 N181 T187 L188 M191 L212 V213 Y400	I180-M183 WeakPolarHBondContact CD1-O 3.47Å; I180-M183 VanDerWaalsContact O-CB 3.23Å; I180-M183 WeakPolarHBondContact O-CB 3.32Å; I180-M183 PolarHBondContact O-N 3.43Å; N181-M183 PolarHBondContact O-N 2.97Å; N181-M183 VanDerWaalsContact O-N 3.16Å; M183-T187 HydrophobicContact CG-CG2 4.44Å; M183-L188 HydrophobicContact CE-CB 4.18Å; M183-L188 HydrophobicContact CE-CD1 3.99Å; M183-L188 HydrophobicContact CE-CD2 4.25Å; M183-L188 HydrophobicContact CE-CG 4.36Å; M183-L188 HydrophobicContact SD-CB 4.16Å; M183-L188 HydrophobicContact SD-CD1 4.13Å; M183-M191 HydrophobicContact CG-SD 4.46Å; M183-M191 HydrophobicContact SD-CE 4.12Å; M183-M191 HydrophobicContact SD-SD 3.49Å; M183-L212 HydrophobicContact CE-CD2 4.37Å; M183-V213 HydrophobicContact CE-CG2 3.58Å; M183-V213 HydrophobicContact SD-CG2 4.04Å; M183-Y400 VanDerWaalsContact CA-OH 3.27Å; M183-Y400 WeakPolarHBondContact CA-OH 3.18Å; M183-Y400 HydrophobicContact CB-CD2 4.41Å; M183-Y400 HydrophobicContact CB-CE1 4.04Å; M183-Y400 HydrophobicContact CB-CE2 3.79Å; M183-Y400 HydrophobicContact CG-CD2 3.99Å; M183-Y400 HydrophobicContact CG-CE2 3.73Å; M183-Y400 PolarHBondContact N-OH 3.36Å; M183-Y400 VanDerWaalsContact N-OH 3.16Å; M183-Y400 HydrophobicContact SD-CD2 4.43Å; M183-Y400 HydrophobicContact SD-CG 4.48Å
184	R	97.9	Very high	98.1	Very high	10 Å²	10	42.8 Å²	42.8	4%	0.038	24%	0.237	C	C	.	.			trans	-76.7	154.7	177.6	-160.9	171.7	56.8	-152.7	-12.5	110.7	Y173 H182 D186 T187 L188 T428 S447 G450	Y173-R184 HydrophobicContact CD1-CG 3.9Å; Y173-R184 HydrophobicContact CD2-CB 3.92Å; Y173-R184 HydrophobicContact CD2-CG 4.11Å; Y173-R184 HydrophobicContact CE1-CB 4.35Å; Y173-R184 HydrophobicContact CE1-CG 3.68Å; Y173-R184 HydrophobicContact CE2-CB 3.64Å; Y173-R184 HydrophobicContact CE2-CG 3.91Å; Y173-R184 HydrophobicContact CG-CB 4.39Å; Y173-R184 HydrophobicContact CG-CG 4.1Å; H182-R184 PolarHBondContact O-N 2.87Å; R184-D186 VanDerWaalsContact C-N 3.32Å; R184-D186 VanDerWaalsContact CB-OD1 3.24Å; R184-D186 WeakPolarHBondContact CB-OD1 3.16Å; R184-D186 WeakPolarHBondContact CD-OD1 3.36Å; R184-D186 WeakPolarHBondContact CG-OD1 3.07Å; R184-D186 IonicContact CZ-OD1 2.64Å; R184-D186 IonicContact CZ-OD2 3.93Å; R184-D186 IonicContact NE-OD1 3.73Å; R184-D186 PolarHBondContact NE-OD1 3.37Å; R184-D186 IonicContact NE-OD2 2.72Å; R184-D186 PolarHBondContact NE-OD2 3.29Å; R184-D186 IonicContact NH2-OD1 3.9Å; R184-D186 IonicContact NH2-OD2 3.1Å; R184-D186 PolarHBondContact NH2-OD2 2.98Å; R184-D186 PolarHBondContact O-N 2.78Å; R184-T187 WeakPolarHBondContact O-CA 3.14Å; R184-T187 VanDerWaalsContact O-CB 3.28Å; R184-T187 WeakPolarHBondContact O-CB 3.4Å; R184-T187 PolarHBondContact O-N 2.84Å; R184-T187 VanDerWaalsContact O-N 3.08Å; R184-L188 PolarHBondContact O-N 3.24Å; R184-T428 PolarHBondContact NH2-O 3.48Å; R184-S447 PolarHBondContact NH1-O 3.35Å; R184-G450 PolarHBondContact N-O 3.33Å
185	Y	98.2	Very high	98.2	Very high	74 Å²	74	39.2 Å²	39.2	29%	0.29	21%	0.207	S	C	.	.	H	α-helix	trans	-66.1	-28.8	-172.8	44.2	-90.4	0	0	0	114.1	S169 I170 Y173 A189 L430	S169-Y185 WeakPolarHBondContact OG-CB 3.35Å; I170-Y185 HydrophobicContact CB-CD1 4.3Å; I170-Y185 HydrophobicContact CG1-CD1 3.73Å; I170-Y185 HydrophobicContact CG1-CD2 3.91Å; I170-Y185 HydrophobicContact CG1-CE1 4.01Å; I170-Y185 HydrophobicContact CG1-CE2 4.15Å; I170-Y185 HydrophobicContact CG1-CG 3.68Å; Y173-Y185 HydrophobicContact CD1-CD1 4.38Å; Y173-Y185 HydrophobicContact CD1-CE1 4.07Å; Y173-Y185 HydrophobicContact CG-CD1 4.44Å; Y185-A189 PolarHBondContact O-N 2.89Å; Y185-L430 HydrophobicContact CD2-CD2 4.25Å; Y185-L430 HydrophobicContact CE2-CD2 3.25Å; Y185-L430 VanDerWaalsContact OH-CD2 3.28Å; Y185-L430 WeakPolarHBondContact OH-CD2 3.44Å
186	D	98.1	Very high	98.4	Very high	22 Å²	22	36.9 Å²	36.9	12%	0.118	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-41.3	169.1	58.7	-47.5	0	0	0	111.7	R184 A189 Q190 T428	R184-D186 VanDerWaalsContact C-N 3.32Å; R184-D186 VanDerWaalsContact CB-OD1 3.24Å; R184-D186 WeakPolarHBondContact CB-OD1 3.16Å; R184-D186 WeakPolarHBondContact CD-OD1 3.36Å; R184-D186 WeakPolarHBondContact CG-OD1 3.07Å; R184-D186 IonicContact CZ-OD1 2.64Å; R184-D186 IonicContact CZ-OD2 3.93Å; R184-D186 IonicContact NE-OD1 3.73Å; R184-D186 PolarHBondContact NE-OD1 3.37Å; R184-D186 IonicContact NE-OD2 2.72Å; R184-D186 PolarHBondContact NE-OD2 3.29Å; R184-D186 IonicContact NH2-OD1 3.9Å; R184-D186 IonicContact NH2-OD2 3.1Å; R184-D186 PolarHBondContact NH2-OD2 2.98Å; R184-D186 PolarHBondContact O-N 2.78Å; D186-A189 WeakPolarHBondContact O-CB 3.35Å; D186-A189 PolarHBondContact O-N 3.39Å; D186-Q190 WeakPolarHBondContact O-CG 3.23Å; D186-Q190 PolarHBondContact O-N 2.97Å; D186-T428 WeakPolarHBondContact OD2-CB 3.29Å; D186-T428 PolarHBondContact OD2-OG1 3.01Å
187	T	98.7	Very high	98.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-46	174.3	-50.5	0	0	0	0	111.1	M183 R184 A189 Q190 M191 Y400 G450 L453	M183-T187 HydrophobicContact CG-CG2 4.44Å; R184-T187 WeakPolarHBondContact O-CA 3.14Å; R184-T187 VanDerWaalsContact O-CB 3.28Å; R184-T187 WeakPolarHBondContact O-CB 3.4Å; R184-T187 PolarHBondContact O-N 2.84Å; R184-T187 VanDerWaalsContact O-N 3.08Å; T187-A189 VanDerWaalsContact C-N 3.31Å; T187-A189 PolarHBondContact O-N 3.09Å; T187-Q190 WeakPolarHBondContact O-CB 3.5Å; T187-Q190 PolarHBondContact O-N 3.19Å; T187-Q190 VanDerWaalsContact O-N 3.16Å; T187-M191 WeakPolarHBondContact O-CG 3.33Å; T187-M191 PolarHBondContact O-N 2.89Å; T187-Y400 HydrophobicContact CG2-CD2 3.77Å; T187-Y400 HydrophobicContact CG2-CE2 3.9Å; T187-G450 WeakPolarHBondContact CB-O 3.27Å; T187-G450 PolarHBondContact OG1-O 3.26Å; T187-L453 HydrophobicContact CG2-CD1 4.03Å; T187-L453 HydrophobicContact CG2-CD2 3.72Å; T187-L453 HydrophobicContact CG2-CG 3.81Å
188	L	98.9	Very high	98.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-42.2	174.8	178.5	59.1	0	0	0	111.7	T165 M183 R184 Q190 M191 L192 L212 V213 A216	T165-L188 HydrophobicContact CG2-CD2 3.97Å; M183-L188 HydrophobicContact CE-CB 4.18Å; M183-L188 HydrophobicContact CE-CD1 3.99Å; M183-L188 HydrophobicContact CE-CD2 4.25Å; M183-L188 HydrophobicContact CE-CG 4.36Å; M183-L188 HydrophobicContact SD-CB 4.16Å; M183-L188 HydrophobicContact SD-CD1 4.13Å; R184-L188 PolarHBondContact O-N 3.24Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-Q190 PolarHBondContact O-N 2.61Å; L188-M191 HydrophobicContact CD1-SD 4.46Å; L188-M191 WeakPolarHBondContact O-CB 3.32Å; L188-M191 PolarHBondContact O-N 2.9Å; L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.47Å; L188-L192 WeakPolarHBondContact O-CG 3.33Å; L188-L192 PolarHBondContact O-N 3.44Å; L188-L192 VanDerWaalsContact O-N 3.09Å; L188-L212 HydrophobicContact CD2-CG 4.37Å; L188-V213 HydrophobicContact CD1-CG1 4.32Å; L188-V213 HydrophobicContact CD1-CG2 4.19Å; L188-A216 HydrophobicContact CD1-CB 4.3Å; L188-A216 HydrophobicContact CD2-CB 4.09Å; L188-A216 HydrophobicContact CG-CB 4.47Å
189	A	98.9	Very high	98.6	Very high	45 Å²	45	38.9 Å²	38.9	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-39.2	176.7	0	0	0	0	0	112.4	Y185 D186 T187 T193	Y185-A189 PolarHBondContact O-N 2.89Å; D186-A189 WeakPolarHBondContact O-CB 3.35Å; D186-A189 PolarHBondContact O-N 3.39Å; T187-A189 VanDerWaalsContact C-N 3.31Å; T187-A189 PolarHBondContact O-N 3.09Å; A189-T193 PolarHBondContact O-N 3.17Å; A189-T193 PolarHBondContact O-OG1 2.88Å
190	Q	98.9	Very high	98.6	Very high	78 Å²	78	37.1 Å²	37.1	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-64	-42.7	173.1	-66	-53.4	-44.4	0	0	111.6	D186 T187 L188 L192 T193 L194 T428 L453	D186-Q190 WeakPolarHBondContact O-CG 3.23Å; D186-Q190 PolarHBondContact O-N 2.97Å; T187-Q190 WeakPolarHBondContact O-CB 3.5Å; T187-Q190 PolarHBondContact O-N 3.19Å; T187-Q190 VanDerWaalsContact O-N 3.16Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-Q190 PolarHBondContact O-N 2.61Å; Q190-L192 VanDerWaalsContact C-N 3.34Å; Q190-L192 PolarHBondContact O-N 3.42Å; Q190-T193 PolarHBondContact O-N 2.9Å; Q190-T193 VanDerWaalsContact O-N 3.11Å; Q190-L194 HydrophobicContact CB-CD1 4.34Å; Q190-L194 WeakPolarHBondContact O-CB 3.29Å; Q190-L194 VanDerWaalsContact O-CG 3.32Å; Q190-L194 WeakPolarHBondContact O-CG 3.49Å; Q190-L194 PolarHBondContact O-N 2.8Å; Q190-T428 HydrophobicContact CG-CG2 3.68Å; Q190-L453 HydrophobicContact CB-CD1 3.62Å
191	M	98.9	Very high	98.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-45.6	177.6	-66.3	164.2	63.8	0	0	112.4	M183 T187 L188 T193 G195 V213 I373 A375 V398 Y400 L453	M183-M191 HydrophobicContact CG-SD 4.46Å; M183-M191 HydrophobicContact SD-CE 4.12Å; M183-M191 HydrophobicContact SD-SD 3.49Å; T187-M191 WeakPolarHBondContact O-CG 3.33Å; T187-M191 PolarHBondContact O-N 2.89Å; L188-M191 HydrophobicContact CD1-SD 4.46Å; L188-M191 WeakPolarHBondContact O-CB 3.32Å; L188-M191 PolarHBondContact O-N 2.9Å; M191-T193 PolarHBondContact O-N 2.82Å; M191-G195 WeakPolarHBondContact O-CA 3.34Å; M191-G195 PolarHBondContact O-N 2.88Å; M191-V213 HydrophobicContact CE-CG1 4.2Å; M191-V213 HydrophobicContact CE-CG2 4.5Å; M191-I373 HydrophobicContact CE-CG2 3.74Å; M191-A375 HydrophobicContact CE-CB 3.82Å; M191-V398 HydrophobicContact CB-CG1 4.22Å; M191-V398 HydrophobicContact CG-CG1 3.89Å; M191-Y400 HydrophobicContact SD-CD2 4.33Å; M191-Y400 HydrophobicContact SD-CG 4.38Å; M191-L453 HydrophobicContact CG-CD1 3.88Å; M191-L453 HydrophobicContact CG-CD2 3.4Å; M191-L453 HydrophobicContact CG-CG 4.31Å; M191-L453 HydrophobicContact SD-CD2 3.91Å
192	L	98.9	Very high	98.7	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-32.1	178.5	-62	170.7	0	0	0	112.3	T165 L188 Q190 I197 A216 M217 R220	T165-L192 HydrophobicContact CG2-CD1 4.34Å; L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.47Å; L188-L192 WeakPolarHBondContact O-CG 3.33Å; L188-L192 PolarHBondContact O-N 3.44Å; L188-L192 VanDerWaalsContact O-N 3.09Å; Q190-L192 VanDerWaalsContact C-N 3.34Å; Q190-L192 PolarHBondContact O-N 3.42Å; L192-I197 HydrophobicContact CB-CG1 4.42Å; L192-I197 HydrophobicContact CD2-CB 4.42Å; L192-I197 HydrophobicContact CD2-CG1 4.06Å; L192-I197 WeakPolarHBondContact O-CG1 3.41Å; L192-I197 PolarHBondContact O-N 3.06Å; L192-A216 HydrophobicContact CD1-CB 4.04Å; L192-A216 HydrophobicContact CD2-CB 4.15Å; L192-M217 HydrophobicContact CD2-CG 3.97Å; L192-R220 HydrophobicContact CD1-CG 4.23Å
193	T	98.9	Very high	98.7	Very high	86 Å²	86	34.8 Å²	34.8	53%	0.528	20%	0.196	S	C	.	.	H	α-helix	trans	-80.8	-51.1	-178.7	-55.8	0	0	0	0	111.3	A189 Q190 M191 G195 N196	A189-T193 PolarHBondContact O-N 3.17Å; A189-T193 PolarHBondContact O-OG1 2.88Å; Q190-T193 PolarHBondContact O-N 2.9Å; Q190-T193 VanDerWaalsContact O-N 3.11Å; M191-T193 PolarHBondContact O-N 2.82Å; T193-G195 VanDerWaalsContact C-N 3.26Å; T193-G195 PolarHBondContact O-N 3.03Å; T193-N196 PolarHBondContact O-N 2.9Å
194	L	98.9	Very high	98.7	Very high	52 Å²	52	34.8 Å²	34.8	27%	0.272	20%	0.195	S	C	.	.	H	α-helix	trans	-62.8	-34.7	177.4	-67.3	171.5	0	0	0	111.6	Q190 N196 P396 V398 L453	Q190-L194 HydrophobicContact CB-CD1 4.34Å; Q190-L194 WeakPolarHBondContact O-CB 3.29Å; Q190-L194 VanDerWaalsContact O-CG 3.32Å; Q190-L194 WeakPolarHBondContact O-CG 3.49Å; Q190-L194 PolarHBondContact O-N 2.8Å; L194-N196 PolarHBondContact O-N 3.25Å; L194-P396 VanDerWaalsContact O-CB 3.26Å; L194-P396 WeakPolarHBondContact O-CB 3.27Å; L194-V398 HydrophobicContact CB-CG2 3.63Å; L194-L453 HydrophobicContact CD1-CD1 4.16Å
195	G	98.8	Very high	98.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.2	173.5	0	0	0	0	0	114.6	M191 T193 I197 P396	M191-G195 WeakPolarHBondContact O-CA 3.34Å; M191-G195 PolarHBondContact O-N 2.88Å; T193-G195 VanDerWaalsContact C-N 3.26Å; T193-G195 PolarHBondContact O-N 3.03Å; G195-I197 VanDerWaalsContact C-N 3.25Å; G195-I197 PolarHBondContact O-N 2.85Å; G195-P396 WeakPolarHBondContact O-CG 3.36Å
196	N	98.8	Very high	98.8	Very high	64 Å²	64	30.8 Å²	30.8	34%	0.342	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	45.8	-177.9	-170.5	24.9	0	0	0	113	T193 L194 R198 N201 P396	T193-N196 PolarHBondContact O-N 2.9Å; L194-N196 PolarHBondContact O-N 3.25Å; N196-R198 PolarHBondContact ND2-NH1 2.83Å; N196-R198 PolarHBondContact ND2-NH2 3.1Å; N196-R198 PolarHBondContact O-N 3.45Å; N196-R198 PolarHBondContact OD1-NH1 3.12Å; N196-N201 PolarHBondContact O-ND2 2.98Å; N196-P396 HydrophobicContact CB-CG 4.01Å
197	I	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.			trans	-72	118.6	-175.9	-51.4	-58.7	0	0	0	109.9	L192 G195 M203 M217 R220 M221 I373	L192-I197 HydrophobicContact CB-CG1 4.42Å; L192-I197 HydrophobicContact CD2-CB 4.42Å; L192-I197 HydrophobicContact CD2-CG1 4.06Å; L192-I197 WeakPolarHBondContact O-CG1 3.41Å; L192-I197 PolarHBondContact O-N 3.06Å; G195-I197 VanDerWaalsContact C-N 3.25Å; G195-I197 PolarHBondContact O-N 2.85Å; I197-M203 HydrophobicContact CD1-CE 3.24Å; I197-M203 HydrophobicContact CD1-CG 4.33Å; I197-M203 HydrophobicContact CD1-SD 3.83Å; I197-M217 HydrophobicContact CD1-CE 4.23Å; I197-M217 HydrophobicContact CG1-CG 4.49Å; I197-M217 HydrophobicContact CG2-CB 4.25Å; I197-M217 HydrophobicContact CG2-CG 4.32Å; I197-R220 HydrophobicContact CB-CB 4.43Å; I197-R220 HydrophobicContact CG2-CB 3.81Å; I197-R220 PolarHBondContact O-NH2 3.48Å; I197-R220 VanDerWaalsContact O-NH2 3.07Å; I197-M221 HydrophobicContact CG2-CG 3.88Å; I197-M221 HydrophobicContact CG2-SD 4.37Å; I197-I373 HydrophobicContact CD1-CD1 4.26Å; I197-I373 HydrophobicContact CD1-CG1 4.09Å
198	R	98.8	Very high	98.8	Very high	137 Å²	137	31.2 Å²	31.2	52%	0.517	18%	0.183	S	C	.	.			trans	-156.6	162.2	-176.8	63.5	-171.2	178.8	-168.8	4.4	111.7	N196 N201	N196-R198 PolarHBondContact ND2-NH1 2.83Å; N196-R198 PolarHBondContact ND2-NH2 3.1Å; N196-R198 PolarHBondContact O-N 3.45Å; N196-R198 PolarHBondContact OD1-NH1 3.12Å; R198-N201 VanDerWaalsContact CG-OD1 3.27Å; R198-N201 WeakPolarHBondContact CG-OD1 3.47Å; R198-N201 PolarHBondContact O-N 3.39Å
199	A	98.8	Very high	98.8	Very high	57 Å²	57	31.1 Å²	31.1	47%	0.471	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	135.6	174.2	0	0	0	0	0	112.1	F224	A199-F224 HydrophobicContact CB-CB 3.83Å; A199-F224 HydrophobicContact CB-CD2 4.18Å; A199-F224 HydrophobicContact CB-CG 4.31Å
200	G	98.4	Very high	98.8	Very high	51 Å²	51	29.5 Å²	29.5	53%	0.526	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-15.5	175.9	0	0	0	0	0	115.1	F224	G200-F224 PolarHBondContact N-O 2.88Å
201	N	98.8	Very high	98.8	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.059	15%	0.152	C	C	.	.			trans	-66.3	149	178.3	-69.5	9	0	0	0	112.2	N196 R198 M203 M221 G225 S226 D370	N196-N201 PolarHBondContact O-ND2 2.98Å; R198-N201 VanDerWaalsContact CG-OD1 3.27Å; R198-N201 WeakPolarHBondContact CG-OD1 3.47Å; R198-N201 PolarHBondContact O-N 3.39Å; N201-M203 HydrophobicContact CB-CG 3.86Å; N201-M203 HydrophobicContact CB-SD 3.66Å; N201-M203 PolarHBondContact ND2-SD 3.4Å; N201-M221 HydrophobicContact CB-CE 4.33Å; N201-M221 WeakPolarHBondContact O-CE 3.36Å; N201-G225 WeakPolarHBondContact O-CA 3.13Å; N201-S226 PolarHBondContact O-N 2.84Å; N201-D370 WeakPolarHBondContact CA-OD2 3.27Å; N201-D370 HydrophobicContact CB-CB 4.04Å
202	K	98.9	Very high	98.8	Very high	29 Å²	29	25.8 Å²	25.8	13%	0.126	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	102.4	159.5	-179.3	-174.7	-62.6	-170.5	0	109.5	S226 E366 N368 A369 D370	K202-S226 CarbonylContact C-O 3.51Å; K202-S226 WeakPolarHBondContact CA-O 3.47Å; K202-E366 IonicContact NZ-OE1 3.6Å; K202-E366 IonicContact NZ-OE2 3.84Å; K202-E366 PolarHBondContact NZ-OE2 2.75Å; K202-N368 PolarHBondContact NZ-OD1 3Å; K202-A369 CarbonylContact O-C 3.43Å; K202-D370 PolarHBondContact N-OD2 3.21Å; K202-D370 PolarHBondContact O-N 3Å
203	M	98.9	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.4	-174.2	-62.1	-58.4	-49.5	0	0	112.7	I197 N201 M217 M221 S226 I227 I228 I373	I197-M203 HydrophobicContact CD1-CE 3.24Å; I197-M203 HydrophobicContact CD1-CG 4.33Å; I197-M203 HydrophobicContact CD1-SD 3.83Å; N201-M203 HydrophobicContact CB-CG 3.86Å; N201-M203 HydrophobicContact CB-SD 3.66Å; N201-M203 PolarHBondContact ND2-SD 3.4Å; M203-M217 HydrophobicContact CB-CE 3.55Å; M203-M217 HydrophobicContact CE-CE 4.2Å; M203-M217 HydrophobicContact CG-CE 3.98Å; M203-M221 HydrophobicContact CB-SD 4.43Å; M203-M221 HydrophobicContact CG-CE 4.13Å; M203-M221 HydrophobicContact CG-SD 3.75Å; M203-S226 PolarHBondContact N-O 3.35Å; M203-I227 HydrophobicContact CB-CG1 4.39Å; M203-I227 CarbonylContact O-C 3.53Å; M203-I227 WeakPolarHBondContact O-CA 3.39Å; M203-I228 PolarHBondContact O-N 3.46Å; M203-I373 HydrophobicContact CE-CG1 4.26Å
204	I	98.9	Very high	98.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.2	165.9	-59.9	170.8	0	0	0	108.7	L230 L364 A369 G371 L372 I373 F390	I204-L230 HydrophobicContact CG2-CD1 4.03Å; I204-L230 HydrophobicContact CG2-CG 4.34Å; I204-L364 HydrophobicContact CD1-CD2 3.62Å; I204-L364 HydrophobicContact CG1-CD2 4.02Å; I204-A369 HydrophobicContact CD1-CB 3.57Å; I204-A369 HydrophobicContact CG1-CB 3.81Å; I204-G371 PolarHBondContact N-O 3.25Å; I204-L372 HydrophobicContact CB-CD1 3.95Å; I204-L372 HydrophobicContact CG2-CD1 3.66Å; I204-L372 WeakPolarHBondContact O-CA 3.32Å; I204-I373 PolarHBondContact O-N 3.39Å; I204-F390 HydrophobicContact CD1-CB 3.45Å; I204-F390 VanDerWaalsContact CD1-CB 3.45Å; I204-F390 HydrophobicContact CD1-CG 4.39Å
205	V	98.9	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.4	175	63.4	0	0	0	0	111.1	E207 V213 L214 M217 I227 I228 Q229 L230 I373	V205-E207 HydrophobicContact CG2-CB 4.25Å; V205-E207 HydrophobicContact CG2-CG 4.3Å; V205-V213 HydrophobicContact CG2-CG1 4.44Å; V205-L214 HydrophobicContact CG1-CD1 4.39Å; V205-M217 HydrophobicContact CB-CE 4.07Å; V205-M217 HydrophobicContact CB-SD 3.89Å; V205-M217 HydrophobicContact CG1-SD 4.49Å; V205-M217 HydrophobicContact CG2-SD 3.8Å; V205-I227 HydrophobicContact CG1-CG2 3.61Å; V205-I228 PolarHBondContact N-O 2.86Å; V205-Q229 HydrophobicContact CG1-CB 4.03Å; V205-Q229 HydrophobicContact CG1-CG 4.19Å; V205-Q229 CarbonylContact O-C 3.57Å; V205-Q229 WeakPolarHBondContact O-CA 3.1Å; V205-L230 PolarHBondContact O-N 3.33Å; V205-I373 VanDerWaalsContact CA-O 3.32Å; V205-I373 WeakPolarHBondContact CA-O 3.38Å; V205-I373 HydrophobicContact CG2-CB 4.28Å; V205-I373 HydrophobicContact CG2-CG2 4.4Å
206	M	98.8	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.2	166.5	170.8	54.3	-168	0	0	108.1	T208 L230 P232 L259 I373 V374 A375 F378 L383 L387	M206-T208 HydrophobicContact CE-CG2 4.22Å; M206-L230 HydrophobicContact CB-CB 4.3Å; M206-L230 HydrophobicContact SD-CB 4.17Å; M206-P232 HydrophobicContact CE-CG 4.49Å; M206-L259 HydrophobicContact CE-CD2 3.7Å; M206-L259 HydrophobicContact SD-CD2 4.07Å; M206-I373 PolarHBondContact N-O 3.4Å; M206-V374 HydrophobicContact CB-CG2 4.48Å; M206-V374 WeakPolarHBondContact O-CA 3.18Å; M206-A375 PolarHBondContact O-N 2.93Å; M206-F378 HydrophobicContact CE-CD2 3.58Å; M206-F378 HydrophobicContact CE-CE2 3.64Å; M206-L383 HydrophobicContact CG-CD1 4.15Å; M206-L383 HydrophobicContact CG-CD2 4.43Å; M206-L387 HydrophobicContact CB-CD1 4.07Å
207	E	98.7	Very high	98.8	Very high	8 Å²	8	15.7 Å²	15.7	4%	0.037	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.5	-179.5	66.8	160.4	179.8	0	0	114	V205 G211 V213 L214 Q229 A375	V205-E207 HydrophobicContact CG2-CB 4.25Å; V205-E207 HydrophobicContact CG2-CG 4.3Å; E207-G211 WeakPolarHBondContact OE1-CA 3.23Å; E207-V213 HydrophobicContact CB-CB 4.45Å; E207-V213 WeakPolarHBondContact OE2-CA 3.27Å; E207-V213 WeakPolarHBondContact OE2-CB 3.44Å; E207-V213 PolarHBondContact OE2-N 3.47Å; E207-L214 WeakPolarHBondContact OE1-CB 3.28Å; E207-L214 PolarHBondContact OE1-N 2.81Å; E207-L214 PolarHBondContact OE2-N 2.8Å; E207-Q229 PolarHBondContact OE1-NE2 2.98Å; E207-A375 WeakPolarHBondContact CA-O 2.98Å
208	T	98.7	Very high	98.8	Very high	24 Å²	24	16 Å²	16	15%	0.147	10%	0.096	C	C	.	.			trans	-130.3	40.4	162.8	65.4	0	0	0	0	110.4	N181 M206 P232 A375 S376 R377 F378	N181-T208 PolarHBondContact ND2-O 2.67Å; M206-T208 HydrophobicContact CE-CG2 4.22Å; T208-P232 HydrophobicContact CG2-CG 4.05Å; T208-A375 PolarHBondContact N-O 2.76Å; T208-S376 VanDerWaalsContact OG1-CA 3.27Å; T208-S376 WeakPolarHBondContact OG1-CA 3.09Å; T208-R377 PolarHBondContact OG1-N 3.06Å; T208-F378 HydrophobicContact CG2-CD2 4.31Å; T208-F378 HydrophobicContact CG2-CE2 3.77Å
209	C	98.7	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-105.3	43.2	-177.5	-67.8	0	0	0	0	111.7	K179 I180 N181 G211 L212 V213 A375	K179-C209 CarbonylContact O-C 3.25Å; K179-C209 WeakPolarHBondContact O-CA 3.38Å; I180-C209 HydrophobicContact CB-CB 4.26Å; I180-C209 HydrophobicContact CG2-CB 4.25Å; N181-C209 PolarHBondContact ND2-SG 2.84Å; C209-G211 PolarHBondContact O-N 3.16Å; C209-L212 VanDerWaalsContact O-CB 3.26Å; C209-L212 WeakPolarHBondContact O-CB 3.36Å; C209-L212 PolarHBondContact O-N 2.85Å; C209-V213 HydrophobicContact CB-CG2 4.03Å; C209-A375 PolarHBondContact SG-O 3.23Å; C209-A375 VanDerWaalsContact SG-O 3.35Å
210	A	98.5	Very high	98.8	Very high	11 Å²	11	15.6 Å²	15.6	9%	0.091	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	13.3	-179.7	0	0	0	0	0	116.7	Y172 K179 V237 A239 A240	Y172-A210 HydrophobicContact CE1-CB 4.27Å; K179-A210 HydrophobicContact CB-CB 4.49Å; A210-V237 CarbonylContact C-O 3.56Å; A210-V237 HydrophobicContact CB-CG1 4.48Å; A210-A239 PolarHBondContact O-N 2.88Å; A210-A240 HydrophobicContact CB-CB 4.37Å; A210-A240 VanDerWaalsContact O-CB 3.26Å; A210-A240 WeakPolarHBondContact O-CB 3.42Å; A210-A240 PolarHBondContact O-N 3.39Å
211	G	98.8	Very high	98.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	97	0.1	-173.7	0	0	0	0	0	114.6	E207 C209 G215 V237 T241	E207-G211 WeakPolarHBondContact OE1-CA 3.23Å; C209-G211 PolarHBondContact O-N 3.16Å; G211-G215 PolarHBondContact O-N 2.98Å; G211-V237 WeakPolarHBondContact CA-O 3.28Å; G211-V237 PolarHBondContact N-O 2.88Å; G211-T241 WeakPolarHBondContact CA-OG1 3.42Å; G211-T241 PolarHBondContact O-OG1 2.94Å
212	L	98.9	Very high	98.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-72.9	-40.6	-170.7	-179.5	65	0	0	0	111.9	L168 Y172 I180 M183 L188 C209 G215 A216 A240 F244	L168-L212 HydrophobicContact CB-CD1 4.05Å; Y172-L212 HydrophobicContact CD2-CD1 4.24Å; Y172-L212 HydrophobicContact CD2-CD2 4.39Å; Y172-L212 HydrophobicContact CG-CD2 4.32Å; I180-L212 HydrophobicContact CD1-CD2 4.1Å; I180-L212 HydrophobicContact CG2-CB 4.33Å; I180-L212 HydrophobicContact CG2-CD2 3.85Å; M183-L212 HydrophobicContact CE-CD2 4.37Å; L188-L212 HydrophobicContact CD2-CG 4.37Å; C209-L212 VanDerWaalsContact O-CB 3.26Å; C209-L212 WeakPolarHBondContact O-CB 3.36Å; C209-L212 PolarHBondContact O-N 2.85Å; L212-G215 PolarHBondContact O-N 2.9Å; L212-A216 WeakPolarHBondContact O-CB 3.22Å; L212-A216 PolarHBondContact O-N 3.02Å; L212-A240 HydrophobicContact CB-CB 3.94Å; L212-A240 HydrophobicContact CD1-CB 4.49Å; L212-F244 HydrophobicContact CD1-CE2 4.27Å; L212-F244 HydrophobicContact CD1-CZ 4.33Å
213	V	98.9	Very high	98.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-70.3	-42.9	178.8	-176	0	0	0	0	109.1	M183 L188 M191 V205 E207 C209 G215 A216 M217 I373 A375	M183-V213 HydrophobicContact CE-CG2 3.58Å; M183-V213 HydrophobicContact SD-CG2 4.04Å; L188-V213 HydrophobicContact CD1-CG1 4.32Å; L188-V213 HydrophobicContact CD1-CG2 4.19Å; M191-V213 HydrophobicContact CE-CG1 4.2Å; M191-V213 HydrophobicContact CE-CG2 4.5Å; V205-V213 HydrophobicContact CG2-CG1 4.44Å; E207-V213 HydrophobicContact CB-CB 4.45Å; E207-V213 WeakPolarHBondContact OE2-CA 3.27Å; E207-V213 WeakPolarHBondContact OE2-CB 3.44Å; E207-V213 PolarHBondContact OE2-N 3.47Å; C209-V213 HydrophobicContact CB-CG2 4.03Å; V213-G215 PolarHBondContact O-N 3.22Å; V213-A216 PolarHBondContact O-N 2.76Å; V213-M217 HydrophobicContact CG1-SD 4.16Å; V213-M217 WeakPolarHBondContact O-CG 3.38Å; V213-M217 PolarHBondContact O-N 3.32Å; V213-I373 HydrophobicContact CG1-CG2 3.76Å; V213-A375 HydrophobicContact CG2-CB 4.02Å
214	L	98.9	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.2	-50.8	172.5	171.7	64.8	0	0	0	111.4	V205 E207 A216 M217 M218 I227 R238 T241 L254	V205-L214 HydrophobicContact CG1-CD1 4.39Å; E207-L214 WeakPolarHBondContact OE1-CB 3.28Å; E207-L214 PolarHBondContact OE1-N 2.81Å; E207-L214 PolarHBondContact OE2-N 2.8Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 2.85Å; L214-M217 PolarHBondContact O-N 3.28Å; L214-M217 VanDerWaalsContact O-N 3.15Å; L214-M218 HydrophobicContact CD1-CG 4.05Å; L214-M218 HydrophobicContact CD1-SD 3.96Å; L214-M218 HydrophobicContact CD2-SD 4.32Å; L214-M218 HydrophobicContact CG-CG 4.34Å; L214-M218 HydrophobicContact CG-SD 3.79Å; L214-M218 VanDerWaalsContact O-CG 3.31Å; L214-M218 WeakPolarHBondContact O-CG 3.35Å; L214-M218 PolarHBondContact O-N 3.34Å; L214-I227 HydrophobicContact CD1-CD1 4.11Å; L214-I227 HydrophobicContact CD1-CG2 3.79Å; L214-R238 HydrophobicContact CD2-CG 4.04Å; L214-T241 HydrophobicContact CD2-CG2 4.11Å; L214-T241 HydrophobicContact CG-CG2 4.26Å; L214-L254 HydrophobicContact CD1-CD1 3.73Å; L214-L254 HydrophobicContact CD2-CD1 4.33Å; L214-L254 HydrophobicContact CD2-CD2 4.41Å
215	G	98.9	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-40.7	-179.7	0	0	0	0	0	112.4	G211 L212 V213 M217 M218 E219 F246	G211-G215 PolarHBondContact O-N 2.98Å; L212-G215 PolarHBondContact O-N 2.9Å; V213-G215 PolarHBondContact O-N 3.22Å; G215-M217 PolarHBondContact O-N 3.22Å; G215-M218 PolarHBondContact O-N 3.04Å; G215-E219 PolarHBondContact O-N 3.05Å; G215-F246 VanDerWaalsContact O-CZ 3.25Å; G215-F246 WeakPolarHBondContact O-CZ 3.29Å
216	A	98.9	Very high	98.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-38.5	175.7	0	0	0	0	0	113	T165 L188 L192 L212 V213 L214 R220	T165-A216 HydrophobicContact CG2-CB 3.56Å; T165-A216 WeakPolarHBondContact OG1-CA 3.49Å; L188-A216 HydrophobicContact CD1-CB 4.3Å; L188-A216 HydrophobicContact CD2-CB 4.09Å; L188-A216 HydrophobicContact CG-CB 4.47Å; L192-A216 HydrophobicContact CD1-CB 4.04Å; L192-A216 HydrophobicContact CD2-CB 4.15Å; L212-A216 WeakPolarHBondContact O-CB 3.22Å; L212-A216 PolarHBondContact O-N 3.02Å; V213-A216 PolarHBondContact O-N 2.76Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 2.85Å; A216-R220 WeakPolarHBondContact O-CG 3.07Å; A216-R220 PolarHBondContact O-N 3.42Å
217	M	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.7	-46	173.4	-68.7	170.6	64.3	0	0	111.3	L192 I197 M203 V205 V213 L214 G215 E219 R220 M221 I227 I373	L192-M217 HydrophobicContact CD2-CG 3.97Å; I197-M217 HydrophobicContact CD1-CE 4.23Å; I197-M217 HydrophobicContact CG1-CG 4.49Å; I197-M217 HydrophobicContact CG2-CB 4.25Å; I197-M217 HydrophobicContact CG2-CG 4.32Å; M203-M217 HydrophobicContact CB-CE 3.55Å; M203-M217 HydrophobicContact CE-CE 4.2Å; M203-M217 HydrophobicContact CG-CE 3.98Å; V205-M217 HydrophobicContact CB-CE 4.07Å; V205-M217 HydrophobicContact CB-SD 3.89Å; V205-M217 HydrophobicContact CG1-SD 4.49Å; V205-M217 HydrophobicContact CG2-SD 3.8Å; V213-M217 HydrophobicContact CG1-SD 4.16Å; V213-M217 WeakPolarHBondContact O-CG 3.38Å; V213-M217 PolarHBondContact O-N 3.32Å; L214-M217 PolarHBondContact O-N 3.28Å; L214-M217 VanDerWaalsContact O-N 3.15Å; G215-M217 PolarHBondContact O-N 3.22Å; M217-E219 VanDerWaalsContact C-N 3.33Å; M217-E219 PolarHBondContact O-N 3.14Å; M217-R220 PolarHBondContact O-N 2.78Å; M217-R220 VanDerWaalsContact O-N 3.16Å; M217-M221 WeakPolarHBondContact O-CB 3.4Å; M217-M221 VanDerWaalsContact O-CG 3.29Å; M217-M221 WeakPolarHBondContact O-CG 3.23Å; M217-M221 PolarHBondContact O-N 2.75Å; M217-I227 HydrophobicContact CB-CD1 4.06Å; M217-I227 HydrophobicContact CE-CG2 4.47Å; M217-I373 HydrophobicContact CE-CG1 4.15Å; M217-I373 HydrophobicContact SD-CB 4.13Å; M217-I373 HydrophobicContact SD-CG1 4.03Å; M217-I373 HydrophobicContact SD-CG2 4.4Å
218	M	98.9	Very high	98.6	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.034	14%	0.142	C	C	.	.	H	α-helix	trans	-58.4	-42.7	176.6	-71.2	174.1	72.3	0	0	112	L214 G215 R220 M221 G222 I227 T241 F246 F250 L251 L254	L214-M218 HydrophobicContact CD1-CG 4.05Å; L214-M218 HydrophobicContact CD1-SD 3.96Å; L214-M218 HydrophobicContact CD2-SD 4.32Å; L214-M218 HydrophobicContact CG-CG 4.34Å; L214-M218 HydrophobicContact CG-SD 3.79Å; L214-M218 VanDerWaalsContact O-CG 3.31Å; L214-M218 WeakPolarHBondContact O-CG 3.35Å; L214-M218 PolarHBondContact O-N 3.34Å; G215-M218 PolarHBondContact O-N 3.04Å; M218-R220 VanDerWaalsContact C-N 3.32Å; M218-R220 PolarHBondContact O-N 3.4Å; M218-M221 PolarHBondContact O-N 3.47Å; M218-G222 PolarHBondContact O-N 2.81Å; M218-I227 HydrophobicContact CG-CD1 3.7Å; M218-T241 HydrophobicContact SD-CG2 3.66Å; M218-F246 HydrophobicContact CB-CD2 4.22Å; M218-F246 HydrophobicContact CB-CE1 4.41Å; M218-F246 HydrophobicContact CB-CE2 3.67Å; M218-F246 HydrophobicContact CB-CZ 3.79Å; M218-F246 HydrophobicContact CE-CB 4.42Å; M218-F246 HydrophobicContact CE-CD2 3.67Å; M218-F246 HydrophobicContact CE-CE2 4.21Å; M218-F246 HydrophobicContact CE-CG 4.18Å; M218-F246 HydrophobicContact SD-CD2 4.17Å; M218-F246 HydrophobicContact SD-CE2 4.18Å; M218-F250 HydrophobicContact CB-CD2 4.41Å; M218-F250 HydrophobicContact CE-CB 3.86Å; M218-F250 HydrophobicContact CE-CD2 4.45Å; M218-F250 WeakPolarHBondContact O-CE2 3.38Å; M218-L251 HydrophobicContact CE-CD2 4.3Å; M218-L254 HydrophobicContact CE-CD2 4.4Å; M218-L254 HydrophobicContact SD-CD2 4.32Å
219	E	98.8	Very high	98.7	Very high	72 Å²	72	23.1 Å²	23.1	34%	0.336	14%	0.135	S	C	.	.	H	α-helix	trans	-58.8	-43.8	175.9	-172.8	175.2	96.3	0	0	111.6	S164 T165 G215 M217 F244 F246	S164-E219 VanDerWaalsContact CA-OE2 3.25Å; S164-E219 WeakPolarHBondContact CA-OE2 3.47Å; T165-E219 WeakPolarHBondContact CB-OE1 3.37Å; T165-E219 PolarHBondContact N-OE1 3.19Å; T165-E219 PolarHBondContact N-OE2 2.87Å; T165-E219 PolarHBondContact OG1-OE1 3.05Å; T165-E219 PolarHBondContact OG1-OE2 3.18Å; G215-E219 PolarHBondContact O-N 3.05Å; M217-E219 VanDerWaalsContact C-N 3.33Å; M217-E219 PolarHBondContact O-N 3.14Å; E219-F244 HydrophobicContact CB-CE1 4.36Å; E219-F244 WeakPolarHBondContact OE2-CD1 3.49Å; E219-F244 WeakPolarHBondContact OE2-CE1 3.23Å; E219-F246 HydrophobicContact CB-CE1 4.12Å; E219-F246 HydrophobicContact CB-CZ 3.93Å
220	R	98.8	Very high	98.7	Very high	112 Å²	112	23.1 Å²	23.1	42%	0.423	14%	0.135	S	C	.	.	H	α-helix	trans	-74.4	-27.5	-179.6	-69.7	-67.3	-59.9	-83.4	-11.3	113.9	L192 I197 A216 M217 M218	L192-R220 HydrophobicContact CD1-CG 4.23Å; I197-R220 HydrophobicContact CB-CB 4.43Å; I197-R220 HydrophobicContact CG2-CB 3.81Å; I197-R220 PolarHBondContact O-NH2 3.48Å; I197-R220 VanDerWaalsContact O-NH2 3.07Å; A216-R220 WeakPolarHBondContact O-CG 3.07Å; A216-R220 PolarHBondContact O-N 3.42Å; M217-R220 PolarHBondContact O-N 2.78Å; M217-R220 VanDerWaalsContact O-N 3.16Å; M218-R220 VanDerWaalsContact C-N 3.32Å; M218-R220 PolarHBondContact O-N 3.4Å
221	M	98.8	Very high	98.7	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-86.9	-20	178.8	-68.6	179.2	66.8	0	0	113	I197 N201 M203 M217 M218 G223 F224 I227	I197-M221 HydrophobicContact CG2-CG 3.88Å; I197-M221 HydrophobicContact CG2-SD 4.37Å; N201-M221 HydrophobicContact CB-CE 4.33Å; N201-M221 WeakPolarHBondContact O-CE 3.36Å; M203-M221 HydrophobicContact CB-SD 4.43Å; M203-M221 HydrophobicContact CG-CE 4.13Å; M203-M221 HydrophobicContact CG-SD 3.75Å; M217-M221 WeakPolarHBondContact O-CB 3.4Å; M217-M221 VanDerWaalsContact O-CG 3.29Å; M217-M221 WeakPolarHBondContact O-CG 3.23Å; M217-M221 PolarHBondContact O-N 2.75Å; M218-M221 PolarHBondContact O-N 3.47Å; M221-G223 PolarHBondContact O-N 3.44Å; M221-G223 VanDerWaalsContact O-N 3.13Å; M221-F224 WeakPolarHBondContact CE-O 3.38Å; M221-F224 PolarHBondContact O-N 3.26Å; M221-I227 HydrophobicContact CE-CG1 3.93Å; M221-I227 HydrophobicContact SD-CD1 3.62Å; M221-I227 HydrophobicContact SD-CG1 3.53Å; M221-I227 VanDerWaalsContact SD-CG1 3.53Å
222	G	98.2	Very high	98.6	Very high	31 Å²	31	25 Å²	25	32%	0.32	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	23.4	170.6	0	0	0	0	0	114.8	M218 F224	M218-G222 PolarHBondContact O-N 2.81Å; G222-F224 WeakPolarHBondContact O-CD2 3.4Å; G222-F224 WeakPolarHBondContact O-CE2 3.27Å
223	G	96.5	Very high	98.4	Very high	39 Å²	39	28.1 Å²	28.1	40%	0.402	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	4.7	-176.9	0	0	0	0	0	115.2	M221	M221-G223 PolarHBondContact O-N 3.44Å; M221-G223 VanDerWaalsContact O-N 3.13Å
224	F	98.6	Very high	98	Very high	139 Å²	139	32.1 Å²	32.1	61%	0.61	22%	0.218	S	C	*	.			trans	-105.3	133	178.1	-60.1	-86.8	0	0	0	111.7	A199 G200 M221 G222	A199-F224 HydrophobicContact CB-CB 3.83Å; A199-F224 HydrophobicContact CB-CD2 4.18Å; A199-F224 HydrophobicContact CB-CG 4.31Å; G200-F224 PolarHBondContact N-O 2.88Å; M221-F224 WeakPolarHBondContact CE-O 3.38Å; M221-F224 PolarHBondContact O-N 3.26Å; G222-F224 WeakPolarHBondContact O-CD2 3.4Å; G222-F224 WeakPolarHBondContact O-CE2 3.27Å
225	G	98.3	Very high	97.8	Very high	39 Å²	39	33.7 Å²	33.7	40%	0.402	23%	0.234	S	C	.	.	S	Bend	trans	94.6	-155.3	-175.6	0	0	0	0	0	111.8	N201	N201-G225 WeakPolarHBondContact O-CA 3.13Å
226	S	98.8	Very high	97.7	Very high	19 Å²	19	35.1 Å²	35.1	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.6	179.2	57.3	0	0	0	0	112.4	N201 K202 M203 G253	N201-S226 PolarHBondContact O-N 2.84Å; K202-S226 CarbonylContact C-O 3.51Å; K202-S226 WeakPolarHBondContact CA-O 3.47Å; M203-S226 PolarHBondContact N-O 3.35Å; S226-G253 CarbonylContact C-O 3.55Å; S226-G253 WeakPolarHBondContact CA-O 3.34Å; S226-G253 WeakPolarHBondContact CB-O 3.4Å
227	I	98.9	Very high	97.7	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.046	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.9	175.1	-57.8	176.7	0	0	0	108	M203 V205 L214 M217 M218 M221 G253 L254 Y255	M203-I227 HydrophobicContact CB-CG1 4.39Å; M203-I227 CarbonylContact O-C 3.53Å; M203-I227 WeakPolarHBondContact O-CA 3.39Å; V205-I227 HydrophobicContact CG1-CG2 3.61Å; L214-I227 HydrophobicContact CD1-CD1 4.11Å; L214-I227 HydrophobicContact CD1-CG2 3.79Å; M217-I227 HydrophobicContact CB-CD1 4.06Å; M217-I227 HydrophobicContact CE-CG2 4.47Å; M218-I227 HydrophobicContact CG-CD1 3.7Å; M221-I227 HydrophobicContact CE-CG1 3.93Å; M221-I227 HydrophobicContact SD-CD1 3.62Å; M221-I227 HydrophobicContact SD-CG1 3.53Å; M221-I227 VanDerWaalsContact SD-CG1 3.53Å; I227-G253 PolarHBondContact N-O 3.31Å; I227-L254 HydrophobicContact CB-CD1 4.14Å; I227-L254 HydrophobicContact CG2-CD1 4.29Å; I227-Y255 PolarHBondContact O-N 2.94Å
228	I	98.9	Very high	97.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	107.1	173.4	-51.2	173.8	0	0	0	107.8	M203 V205 A360 L363 L364	M203-I228 PolarHBondContact O-N 3.46Å; V205-I228 PolarHBondContact N-O 2.86Å; I228-A360 HydrophobicContact CG2-CB 4.34Å; I228-L363 HydrophobicContact CD1-CB 3.7Å; I228-L363 HydrophobicContact CD1-CD1 4.49Å; I228-L364 HydrophobicContact CD1-CD2 3.95Å; I228-L364 HydrophobicContact CD1-CG 3.98Å; I228-L364 HydrophobicContact CG2-CD1 4.08Å; I228-L364 HydrophobicContact CG2-CD2 4.06Å; I228-L364 HydrophobicContact CG2-CG 4.04Å
229	Q	98.9	Very high	97.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	114.9	177.7	-175.6	177.6	22.3	0	0	110.6	V205 E207 P236 R238 Y255 E256 F257	V205-Q229 HydrophobicContact CG1-CB 4.03Å; V205-Q229 HydrophobicContact CG1-CG 4.19Å; V205-Q229 CarbonylContact O-C 3.57Å; V205-Q229 WeakPolarHBondContact O-CA 3.1Å; E207-Q229 PolarHBondContact OE1-NE2 2.98Å; Q229-P236 HydrophobicContact CG-CB 4.38Å; Q229-R238 VanDerWaalsContact OE1-CZ 3.3Å; Q229-Y255 PolarHBondContact N-O 3.23Å; Q229-E256 VanDerWaalsContact O-CA 3.27Å; Q229-E256 WeakPolarHBondContact O-CA 3.27Å; Q229-F257 PolarHBondContact O-N 3.27Å
230	L	98.8	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135	168.3	-59.2	177.6	0	0	0	109.4	I204 V205 M206 F257 L259 V262 L364 L387	I204-L230 HydrophobicContact CG2-CD1 4.03Å; I204-L230 HydrophobicContact CG2-CG 4.34Å; V205-L230 PolarHBondContact O-N 3.33Å; M206-L230 HydrophobicContact CB-CB 4.3Å; M206-L230 HydrophobicContact SD-CB 4.17Å; L230-F257 WeakPolarHBondContact CA-O 3.17Å; L230-F257 HydrophobicContact CD2-CB 3.91Å; L230-F257 HydrophobicContact CD2-CD1 3.91Å; L230-F257 HydrophobicContact CD2-CG 4.4Å; L230-L259 HydrophobicContact CB-CD1 4.46Å; L230-L259 HydrophobicContact CD1-CD1 4.45Å; L230-V262 HydrophobicContact CD1-CG2 4.39Å; L230-V262 HydrophobicContact CD2-CG2 4.29Å; L230-L364 HydrophobicContact CD2-CD1 4.15Å; L230-L387 HydrophobicContact CD1-CD1 3.63Å; L230-L387 HydrophobicContact CD1-CD2 3.22Å; L230-L387 HydrophobicContact CD1-CG 4.02Å
231	Y	98.4	Very high	97.6	Very high	16 Å²	16	35.4 Å²	35.4	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.8	-177.5	66.7	-92	0	0	0	112.9	G235 P236 E256 F257 P258 L259 H357	Y231-G235 VanDerWaalsContact CD2-C 3.44Å; Y231-G235 VanDerWaalsContact CD2-CA 3.43Å; Y231-G235 VanDerWaalsContact CE2-CA 3.46Å; Y231-P236 HydrophobicContact CD1-CB 4.36Å; Y231-P236 HydrophobicContact CD1-CG 4.31Å; Y231-P236 HydrophobicContact CG-CB 4.24Å; Y231-P236 HydrophobicContact CG-CG 4.49Å; Y231-E256 HydrophobicContact CD1-CB 4.09Å; Y231-E256 HydrophobicContact CE1-CB 3.96Å; Y231-E256 HydrophobicContact CE1-CG 4.38Å; Y231-F257 WeakPolarHBondContact CD1-O 3.2Å; Y231-F257 VanDerWaalsContact CE1-C 3.44Å; Y231-F257 PolarHBondContact N-O 3.37Å; Y231-P258 HydrophobicContact CE1-CB 4.44Å; Y231-P258 HydrophobicContact CE2-CB 4.08Å; Y231-L259 VanDerWaalsContact O-CB 3.29Å; Y231-L259 WeakPolarHBondContact O-CB 3.43Å; Y231-L259 PolarHBondContact O-N 3.24Å; Y231-H357 AromaticContact CE1-CE1 3.91Å; Y231-H357 AromaticContact CZ-CE1 3.91Å; Y231-H357 PolarHBondContact OH-CE1 3.43Å; Y231-H357 PolarHBondContact OH-NE2 3.16Å
232	P	96.9	Very high	97.6	Very high	33 Å²	33	37.5 Å²	37.5	21%	0.214	28%	0.277	C	S	.	.	S	Bend	trans	-84.8	162.5	168.8	38.8	-38.1	0	0	0	111.2	M206 T208 F378	M206-P232 HydrophobicContact CE-CG 4.49Å; T208-P232 HydrophobicContact CG2-CG 4.05Å; P232-F378 HydrophobicContact CB-CE2 3.85Å; P232-F378 HydrophobicContact CB-CZ 3.76Å; P232-F378 HydrophobicContact CG-CE2 3.8Å; P232-F378 HydrophobicContact CG-CZ 3.98Å
233	G	95.2	Very high	97.6	Very high	67 Å²	67	36.4 Å²	36.4	69%	0.691	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-150.3	174	0	0	0	0	0	113.5
234	G	90.9	Very high	97.7	Very high	85 Å²	85	35.3 Å²	35.3	88%	0.876	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.3	-173.6	0	0	0	0	0	116
235	G	94.4	Very high	97.6	Very high	32 Å²	32	30.8 Å²	30.8	33%	0.33	24%	0.241	S	C	.	.	S	Bend	trans	174.5	163	-179.8	0	0	0	0	0	114.4	Y231	Y231-G235 VanDerWaalsContact CD2-C 3.44Å; Y231-G235 VanDerWaalsContact CD2-CA 3.43Å; Y231-G235 VanDerWaalsContact CE2-CA 3.46Å
236	P	97.6	Very high	97.6	Very high	30 Å²	30	31.2 Å²	31.2	20%	0.195	23%	0.232	C	C	.	.			trans	-72	141.3	177.3	28.4	-32.7	0	0	0	112.2	Q229 Y231 E256	Q229-P236 HydrophobicContact CG-CB 4.38Å; Y231-P236 HydrophobicContact CD1-CB 4.36Å; Y231-P236 HydrophobicContact CD1-CG 4.31Å; Y231-P236 HydrophobicContact CG-CB 4.24Å; Y231-P236 HydrophobicContact CG-CG 4.49Å; P236-E256 HydrophobicContact CG-CB 4.43Å
237	V	98.1	Very high	97.4	Very high	80 Å²	80	33.8 Å²	33.8	49%	0.485	25%	0.248	S	C	.	.			trans	-85.9	123.3	171.3	-176.9	0	0	0	0	109.5	A210 G211	A210-V237 CarbonylContact C-O 3.56Å; A210-V237 HydrophobicContact CB-CG1 4.48Å; G211-V237 WeakPolarHBondContact CA-O 3.28Å; G211-V237 PolarHBondContact N-O 2.88Å
238	R	98.4	Very high	97.3	Very high	70 Å²	70	42 Å²	42	26%	0.264	28%	0.283	S	S	.	.			trans	-130.3	23	-177.1	-66	-173.6	178.3	145	3.6	114.4	L214 Q229 A240 T241 A242 E256	L214-R238 HydrophobicContact CD2-CG 4.04Å; Q229-R238 VanDerWaalsContact OE1-CZ 3.3Å; R238-A240 PolarHBondContact O-N 3.03Å; R238-T241 WeakPolarHBondContact O-CB 3.25Å; R238-T241 PolarHBondContact O-N 2.99Å; R238-T241 VanDerWaalsContact O-N 3.15Å; R238-A242 PolarHBondContact O-N 3.15Å; R238-E256 IonicContact CZ-OE2 3.43Å; R238-E256 IonicContact NH1-OE2 3.89Å; R238-E256 PolarHBondContact NH1-OE2 2.93Å; R238-E256 IonicContact NH2-OE2 3.6Å; R238-E256 PolarHBondContact NH2-OE2 3.4Å
239	A	98.1	Very high	97.2	Very high	36 Å²	36	45.2 Å²	45.2	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-46.2	-178.2	0	0	0	0	0	112.4	A210 T241 A242 C243	A210-A239 PolarHBondContact O-N 2.88Å; A239-T241 VanDerWaalsContact C-N 3.35Å; A239-A242 PolarHBondContact O-N 3.47Å; A239-C243 PolarHBondContact O-SG 3.45Å
240	A	98.6	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.6	-35.8	175.4	0	0	0	0	0	111.9	Y172 A210 L212 R238 A242 C243 F244	Y172-A240 HydrophobicContact CD2-CB 4.4Å; Y172-A240 HydrophobicContact CE1-CB 4.36Å; Y172-A240 HydrophobicContact CE2-CB 3.51Å; Y172-A240 VanDerWaalsContact CZ-CB 3.49Å; Y172-A240 VanDerWaalsContact OH-CA 3.29Å; Y172-A240 WeakPolarHBondContact OH-CA 3.1Å; Y172-A240 WeakPolarHBondContact OH-CB 3.12Å; A210-A240 HydrophobicContact CB-CB 4.37Å; A210-A240 VanDerWaalsContact O-CB 3.26Å; A210-A240 WeakPolarHBondContact O-CB 3.42Å; A210-A240 PolarHBondContact O-N 3.39Å; L212-A240 HydrophobicContact CB-CB 3.94Å; L212-A240 HydrophobicContact CD1-CB 4.49Å; R238-A240 PolarHBondContact O-N 3.03Å; A240-A242 VanDerWaalsContact C-N 3.31Å; A240-A242 PolarHBondContact O-N 2.89Å; A240-C243 WeakPolarHBondContact O-CB 3.11Å; A240-C243 PolarHBondContact O-N 2.88Å; A240-C243 VanDerWaalsContact O-N 3.16Å; A240-F244 VanDerWaalsContact O-CD2 3.27Å; A240-F244 WeakPolarHBondContact O-CD2 3.33Å
241	T	98.7	Very high	97	Very high	11 Å²	11	51.4 Å²	51.4	7%	0.067	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-41.2	177.6	-38.4	0	0	0	0	111.1	G211 L214 M218 R238 A239 C243 F244 F246	G211-T241 WeakPolarHBondContact CA-OG1 3.42Å; G211-T241 PolarHBondContact O-OG1 2.94Å; L214-T241 HydrophobicContact CD2-CG2 4.11Å; L214-T241 HydrophobicContact CG-CG2 4.26Å; M218-T241 HydrophobicContact SD-CG2 3.66Å; R238-T241 WeakPolarHBondContact O-CB 3.25Å; R238-T241 PolarHBondContact O-N 2.99Å; R238-T241 VanDerWaalsContact O-N 3.15Å; A239-T241 VanDerWaalsContact C-N 3.35Å; T241-C243 PolarHBondContact O-N 3.15Å; T241-F244 WeakPolarHBondContact O-CB 3.26Å; T241-F244 PolarHBondContact O-N 3.32Å; T241-F244 VanDerWaalsContact O-N 3.13Å; T241-F246 HydrophobicContact CG2-CD2 4.42Å; T241-F246 HydrophobicContact CG2-CE2 4.41Å
242	A	98.1	Very high	96.9	Very high	49 Å²	49	56.3 Å²	56.3	41%	0.405	36%	0.364	S	S	.	.	H	α-helix	trans	-59.6	-36.4	176.5	0	0	0	0	0	112.1	F25 R238 A239 A240 F244 G245	F25-A242 WeakPolarHBondContact CD2-O 3.41Å; F25-A242 WeakPolarHBondContact CG-O 3.15Å; F25-A242 HydrophobicContact CZ-CB 4.47Å; R238-A242 PolarHBondContact O-N 3.15Å; A239-A242 PolarHBondContact O-N 3.47Å; A240-A242 VanDerWaalsContact C-N 3.31Å; A240-A242 PolarHBondContact O-N 2.89Å; A242-F244 PolarHBondContact O-N 3.26Å; A242-F244 VanDerWaalsContact O-N 3.12Å; A242-G245 PolarHBondContact O-N 3.38Å
243	C	98.4	Very high	96.9	Very high	9 Å²	9	55.7 Å²	55.7	6%	0.061	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18	178.2	-58.5	0	0	0	0	114.2	A36 P163 L168 A239 A240 T241 G245	A36-C243 HydrophobicContact CB-CB 4.19Å; P163-C243 WeakPolarHBondContact CB-O 3.26Å; P163-C243 WeakPolarHBondContact CG-O 3.34Å; L168-C243 HydrophobicContact CD1-CB 4.04Å; L168-C243 HydrophobicContact CD2-CB 3.92Å; A239-C243 PolarHBondContact O-SG 3.45Å; A240-C243 WeakPolarHBondContact O-CB 3.11Å; A240-C243 PolarHBondContact O-N 2.88Å; A240-C243 VanDerWaalsContact O-N 3.16Å; T241-C243 PolarHBondContact O-N 3.15Å; C243-G245 VanDerWaalsContact C-N 3.29Å
244	F	98.4	Very high	97.1	Very high	16 Å²	16	53 Å²	53	7%	0.07	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.8	174.7	-74.8	-100.9	0	0	0	112.8	L168 L212 E219 A240 T241 A242 F246	L168-F244 HydrophobicContact CD1-CD1 3.97Å; L168-F244 HydrophobicContact CD1-CD2 3.42Å; L168-F244 VanDerWaalsContact CD1-CD2 3.42Å; L168-F244 HydrophobicContact CD1-CE1 3.98Å; L168-F244 HydrophobicContact CD1-CE2 3.42Å; L168-F244 VanDerWaalsContact CD1-CE2 3.42Å; L168-F244 HydrophobicContact CD1-CG 3.71Å; L168-F244 HydrophobicContact CD1-CZ 3.72Å; L212-F244 HydrophobicContact CD1-CE2 4.27Å; L212-F244 HydrophobicContact CD1-CZ 4.33Å; E219-F244 HydrophobicContact CB-CE1 4.36Å; E219-F244 WeakPolarHBondContact OE2-CD1 3.49Å; E219-F244 WeakPolarHBondContact OE2-CE1 3.23Å; A240-F244 VanDerWaalsContact O-CD2 3.27Å; A240-F244 WeakPolarHBondContact O-CD2 3.33Å; T241-F244 WeakPolarHBondContact O-CB 3.26Å; T241-F244 PolarHBondContact O-N 3.32Å; T241-F244 VanDerWaalsContact O-N 3.13Å; A242-F244 PolarHBondContact O-N 3.26Å; A242-F244 VanDerWaalsContact O-N 3.12Å; F244-F246 HydrophobicContact CB-CD1 4.36Å; F244-F246 HydrophobicContact CB-CD2 3.63Å; F244-F246 HydrophobicContact CB-CE1 4.04Å; F244-F246 HydrophobicContact CB-CE2 3.26Å; F244-F246 HydrophobicContact CB-CG 4.15Å; F244-F246 HydrophobicContact CB-CZ 3.48Å; F244-F246 VanDerWaalsContact CB-CZ 3.48Å; F244-F246 HydrophobicContact CD1-CE1 4.23Å; F244-F246 AromaticContact CD1-CE2 3.91Å; F244-F246 HydrophobicContact CD1-CE2 3.91Å; F244-F246 AromaticContact CD1-CZ 3.44Å; F244-F246 HydrophobicContact CD1-CZ 3.44Å; F244-F246 VanDerWaalsContact CD1-CZ 3.44Å; F244-F246 HydrophobicContact CD2-CE2 4.08Å; F244-F246 HydrophobicContact CD2-CZ 4.43Å; F244-F246 HydrophobicContact CE1-CZ 4.24Å; F244-F246 HydrophobicContact CG-CD2 4.35Å; F244-F246 HydrophobicContact CG-CE1 4.45Å; F244-F246 AromaticContact CG-CE2 3.51Å; F244-F246 HydrophobicContact CG-CE2 3.51Å; F244-F246 AromaticContact CG-CZ 3.55Å; F244-F246 HydrophobicContact CG-CZ 3.55Å
245	G	96.9	Very high	97.5	Very high	43 Å²	43	51 Å²	51	44%	0.443	30%	0.3	S	S	.	.			trans	62.9	39.7	-178	0	0	0	0	0	113.4	A242 C243	A242-G245 PolarHBondContact O-N 3.38Å; C243-G245 VanDerWaalsContact C-N 3.29Å
246	F	97.6	Very high	97.6	Very high	49 Å²	49	50.9 Å²	50.9	22%	0.215	29%	0.291	C	S	.	.			trans	-63.1	144.3	-179.2	-69.3	-58.4	0	0	0	112.5	G215 M218 E219 T241 F244 F250	G215-F246 VanDerWaalsContact O-CZ 3.25Å; G215-F246 WeakPolarHBondContact O-CZ 3.29Å; M218-F246 HydrophobicContact CB-CD2 4.22Å; M218-F246 HydrophobicContact CB-CE1 4.41Å; M218-F246 HydrophobicContact CB-CE2 3.67Å; M218-F246 HydrophobicContact CB-CZ 3.79Å; M218-F246 HydrophobicContact CE-CB 4.42Å; M218-F246 HydrophobicContact CE-CD2 3.67Å; M218-F246 HydrophobicContact CE-CE2 4.21Å; M218-F246 HydrophobicContact CE-CG 4.18Å; M218-F246 HydrophobicContact SD-CD2 4.17Å; M218-F246 HydrophobicContact SD-CE2 4.18Å; E219-F246 HydrophobicContact CB-CE1 4.12Å; E219-F246 HydrophobicContact CB-CZ 3.93Å; T241-F246 HydrophobicContact CG2-CD2 4.42Å; T241-F246 HydrophobicContact CG2-CE2 4.41Å; F244-F246 HydrophobicContact CB-CD1 4.36Å; F244-F246 HydrophobicContact CB-CD2 3.63Å; F244-F246 HydrophobicContact CB-CE1 4.04Å; F244-F246 HydrophobicContact CB-CE2 3.26Å; F244-F246 HydrophobicContact CB-CG 4.15Å; F244-F246 HydrophobicContact CB-CZ 3.48Å; F244-F246 VanDerWaalsContact CB-CZ 3.48Å; F244-F246 HydrophobicContact CD1-CE1 4.23Å; F244-F246 AromaticContact CD1-CE2 3.91Å; F244-F246 HydrophobicContact CD1-CE2 3.91Å; F244-F246 AromaticContact CD1-CZ 3.44Å; F244-F246 HydrophobicContact CD1-CZ 3.44Å; F244-F246 VanDerWaalsContact CD1-CZ 3.44Å; F244-F246 HydrophobicContact CD2-CE2 4.08Å; F244-F246 HydrophobicContact CD2-CZ 4.43Å; F244-F246 HydrophobicContact CE1-CZ 4.24Å; F244-F246 HydrophobicContact CG-CD2 4.35Å; F244-F246 HydrophobicContact CG-CE1 4.45Å; F244-F246 AromaticContact CG-CE2 3.51Å; F244-F246 HydrophobicContact CG-CE2 3.51Å; F244-F246 AromaticContact CG-CZ 3.55Å; F244-F246 HydrophobicContact CG-CZ 3.55Å; F246-F250 HydrophobicContact CB-CB 4.18Å; F246-F250 HydrophobicContact CB-CD2 4.18Å; F246-F250 HydrophobicContact CB-CG 4.2Å; F246-F250 AromaticContact CD1-CD2 3.57Å; F246-F250 HydrophobicContact CD1-CD2 3.57Å; F246-F250 AromaticContact CD1-CE2 3.61Å; F246-F250 HydrophobicContact CD1-CE2 3.61Å; F246-F250 HydrophobicContact CD1-CG 4.35Å; F246-F250 HydrophobicContact CD1-CZ 4.41Å; F246-F250 HydrophobicContact CE1-CD2 4.14Å; F246-F250 AromaticContact CE1-CE2 3.94Å; F246-F250 HydrophobicContact CE1-CE2 3.94Å; F246-F250 AromaticContact CG-CD2 3.93Å; F246-F250 HydrophobicContact CG-CD2 3.93Å; F246-F250 HydrophobicContact CG-CE2 4.42Å; F246-F250 HydrophobicContact CG-CG 4.45Å
247	P	96	Very high	97.6	Very high	72 Å²	72	49.5 Å²	49.5	47%	0.468	28%	0.281	S	S	.	.			trans	-60.1	151.4	170.3	-21.2	32.6	0	0	0	112	S249 F250	P247-S249 PolarHBondContact O-N 2.99Å; P247-S249 VanDerWaalsContact O-N 3.08Å; P247-F250 HydrophobicContact CB-CD1 4.29Å; P247-F250 HydrophobicContact CG-CD1 4.22Å; P247-F250 HydrophobicContact CG-CE1 4.13Å; P247-F250 WeakPolarHBondContact O-CB 3.45Å; P247-F250 PolarHBondContact O-N 3.31Å
248	K	95.7	Very high	97.6	Very high	182 Å²	182	46.1 Å²	46.1	79%	0.791	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-55.9	-28.7	177	-67.4	-173.1	178.3	-177	0	113.4	F250 L251	K248-F250 PolarHBondContact O-N 2.87Å; K248-L251 WeakPolarHBondContact O-CB 3.39Å; K248-L251 PolarHBondContact O-N 2.92Å
249	S	97	Very high	97.6	Very high	68 Å²	68	44.4 Å²	44.4	48%	0.476	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-58.2	-28.4	176.8	53.7	0	0	0	0	113.5	P247 L251 N252	P247-S249 PolarHBondContact O-N 2.99Å; P247-S249 VanDerWaalsContact O-N 3.08Å; S249-L251 PolarHBondContact O-N 3.13Å; S249-N252 PolarHBondContact O-N 3.35Å
250	F	97.8	Very high	97.5	Very high	40 Å²	40	48.4 Å²	48.4	18%	0.175	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-70.4	-20.8	177.9	-77.3	47.8	0	0	0	112.1	M218 F246 P247 K248	M218-F250 HydrophobicContact CB-CD2 4.41Å; M218-F250 HydrophobicContact CE-CB 3.86Å; M218-F250 HydrophobicContact CE-CD2 4.45Å; M218-F250 WeakPolarHBondContact O-CE2 3.38Å; F246-F250 HydrophobicContact CB-CB 4.18Å; F246-F250 HydrophobicContact CB-CD2 4.18Å; F246-F250 HydrophobicContact CB-CG 4.2Å; F246-F250 AromaticContact CD1-CD2 3.57Å; F246-F250 HydrophobicContact CD1-CD2 3.57Å; F246-F250 AromaticContact CD1-CE2 3.61Å; F246-F250 HydrophobicContact CD1-CE2 3.61Å; F246-F250 HydrophobicContact CD1-CG 4.35Å; F246-F250 HydrophobicContact CD1-CZ 4.41Å; F246-F250 HydrophobicContact CE1-CD2 4.14Å; F246-F250 AromaticContact CE1-CE2 3.94Å; F246-F250 HydrophobicContact CE1-CE2 3.94Å; F246-F250 AromaticContact CG-CD2 3.93Å; F246-F250 HydrophobicContact CG-CD2 3.93Å; F246-F250 HydrophobicContact CG-CE2 4.42Å; F246-F250 HydrophobicContact CG-CG 4.45Å; P247-F250 HydrophobicContact CB-CD1 4.29Å; P247-F250 HydrophobicContact CG-CD1 4.22Å; P247-F250 HydrophobicContact CG-CE1 4.13Å; P247-F250 WeakPolarHBondContact O-CB 3.45Å; P247-F250 PolarHBondContact O-N 3.31Å; K248-F250 PolarHBondContact O-N 2.87Å
251	L	96.8	Very high	97.3	Very high	91 Å²	91	50 Å²	50	48%	0.476	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-79.6	-21.1	-179	-52.9	-179.9	0	0	0	112.2	M218 K248 S249 G253 L254	M218-L251 HydrophobicContact CE-CD2 4.3Å; K248-L251 WeakPolarHBondContact O-CB 3.39Å; K248-L251 PolarHBondContact O-N 2.92Å; S249-L251 PolarHBondContact O-N 3.13Å; L251-G253 VanDerWaalsContact C-N 3.29Å; L251-G253 PolarHBondContact O-N 2.95Å; L251-L254 HydrophobicContact CD2-CD2 4.16Å; L251-L254 WeakPolarHBondContact O-CB 3.34Å; L251-L254 PolarHBondContact O-N 2.9Å
252	N	96.3	Very high	97.2	Very high	119 Å²	119	49.8 Å²	49.8	64%	0.636	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-39.1	-178.1	-67.4	-9	0	0	0	112.3	S249 R356	S249-N252 PolarHBondContact O-N 3.35Å; N252-R356 PolarHBondContact O-NH2 3.48Å
253	G	96.5	Very high	97.1	Very high	21 Å²	21	52 Å²	52	22%	0.216	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	5.6	176.6	0	0	0	0	0	114.5	S226 I227 L251 Y255	S226-G253 CarbonylContact C-O 3.55Å; S226-G253 WeakPolarHBondContact CA-O 3.34Å; S226-G253 WeakPolarHBondContact CB-O 3.4Å; I227-G253 PolarHBondContact N-O 3.31Å; L251-G253 VanDerWaalsContact C-N 3.29Å; L251-G253 PolarHBondContact O-N 2.95Å; G253-Y255 WeakPolarHBondContact O-CD2 3.4Å
254	L	98.6	Very high	96.9	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.058	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.8	-179.9	-178.8	58.6	0	0	0	110.5	L214 M218 I227 L251 R356	L214-L254 HydrophobicContact CD1-CD1 3.73Å; L214-L254 HydrophobicContact CD2-CD1 4.33Å; L214-L254 HydrophobicContact CD2-CD2 4.41Å; M218-L254 HydrophobicContact CE-CD2 4.4Å; M218-L254 HydrophobicContact SD-CD2 4.32Å; I227-L254 HydrophobicContact CB-CD1 4.14Å; I227-L254 HydrophobicContact CG2-CD1 4.29Å; L251-L254 HydrophobicContact CD2-CD2 4.16Å; L251-L254 WeakPolarHBondContact O-CB 3.34Å; L251-L254 PolarHBondContact O-N 2.9Å; L254-R356 PolarHBondContact O-NE 3.23Å; L254-R356 PolarHBondContact O-NH2 3.01Å
255	Y	98.5	Very high	96.7	Very high	42 Å²	42	52.4 Å²	52.4	17%	0.165	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.8	179.4	-62.8	-93.1	0	0	0	110.2	I227 Q229 G253 R356 E359 A360 L363	I227-Y255 PolarHBondContact O-N 2.94Å; Q229-Y255 PolarHBondContact N-O 3.23Å; G253-Y255 WeakPolarHBondContact O-CD2 3.4Å; Y255-R356 VanDerWaalsContact CD1-CZ 3.48Å; Y255-E359 HydrophobicContact CD1-CB 4.18Å; Y255-E359 HydrophobicContact CE1-CB 3.9Å; Y255-A360 HydrophobicContact CD1-CB 4.47Å; Y255-L363 HydrophobicContact CD1-CD1 3.96Å; Y255-L363 HydrophobicContact CD2-CD1 3.87Å; Y255-L363 HydrophobicContact CE1-CD1 3.78Å; Y255-L363 HydrophobicContact CE2-CD1 3.71Å; Y255-L363 HydrophobicContact CG-CD1 4Å
256	E	97.6	Very high	96.5	Very high	30 Å²	30	51.7 Å²	51.7	14%	0.14	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.8	179	57.4	-158.3	-152	0	0	110.4	Q229 Y231 P236 R238 H357	Q229-E256 VanDerWaalsContact O-CA 3.27Å; Q229-E256 WeakPolarHBondContact O-CA 3.27Å; Y231-E256 HydrophobicContact CD1-CB 4.09Å; Y231-E256 HydrophobicContact CE1-CB 3.96Å; Y231-E256 HydrophobicContact CE1-CG 4.38Å; P236-E256 HydrophobicContact CG-CB 4.43Å; R238-E256 IonicContact CZ-OE2 3.43Å; R238-E256 IonicContact NH1-OE2 3.89Å; R238-E256 PolarHBondContact NH1-OE2 2.93Å; R238-E256 IonicContact NH2-OE2 3.6Å; R238-E256 PolarHBondContact NH2-OE2 3.4Å; E256-H357 PolarHBondContact O-ND1 2.95Å
257	F	98.2	Very high	96.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	135.2	-179.6	-174.1	-96.5	0	0	0	111	Q229 L230 Y231 L259 K261 V262 L265 F270 H357 A360 A361 L364	Q229-F257 PolarHBondContact O-N 3.27Å; L230-F257 WeakPolarHBondContact CA-O 3.17Å; L230-F257 HydrophobicContact CD2-CB 3.91Å; L230-F257 HydrophobicContact CD2-CD1 3.91Å; L230-F257 HydrophobicContact CD2-CG 4.4Å; Y231-F257 WeakPolarHBondContact CD1-O 3.2Å; Y231-F257 VanDerWaalsContact CE1-C 3.44Å; Y231-F257 PolarHBondContact N-O 3.37Å; F257-L259 PolarHBondContact O-N 3.45Å; F257-K261 HydrophobicContact CE1-CB 3.92Å; F257-K261 HydrophobicContact CZ-CB 3.74Å; F257-V262 HydrophobicContact CD1-CG2 4.33Å; F257-V262 HydrophobicContact CE1-CG2 4.21Å; F257-L265 HydrophobicContact CE1-CD2 3.99Å; F257-L265 HydrophobicContact CZ-CB 4.44Å; F257-L265 HydrophobicContact CZ-CD2 3.96Å; F257-F270 HydrophobicContact CE2-CE1 4.46Å; F257-F270 AromaticContact CE2-CE2 3.82Å; F257-F270 HydrophobicContact CE2-CE2 3.82Å; F257-F270 AromaticContact CE2-CZ 3.76Å; F257-F270 HydrophobicContact CE2-CZ 3.76Å; F257-F270 HydrophobicContact CZ-CD2 4.16Å; F257-F270 AromaticContact CZ-CE2 3.79Å; F257-F270 HydrophobicContact CZ-CE2 3.79Å; F257-F270 HydrophobicContact CZ-CZ 4.17Å; F257-H357 HydrophobicContact CD2-CB 4.31Å; F257-A360 HydrophobicContact CB-CB 3.96Å; F257-A360 HydrophobicContact CD2-CB 4.38Å; F257-A361 HydrophobicContact CD2-CB 4.16Å; F257-A361 HydrophobicContact CE2-CB 3.7Å; F257-A361 HydrophobicContact CZ-CB 4.43Å; F257-L364 HydrophobicContact CB-CD1 4.16Å; F257-L364 HydrophobicContact CD1-CD1 3.92Å; F257-L364 HydrophobicContact CG-CD1 4Å
258	P	97.6	Very high	96	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.058	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.6	-175.7	29.1	-36.3	0	0	0	111.6	Y231 N260 K261 L275	Y231-P258 HydrophobicContact CE1-CB 4.44Å; Y231-P258 HydrophobicContact CE2-CB 4.08Å; P258-N260 WeakPolarHBondContact CB-OD1 3.15Å; P258-N260 PolarHBondContact O-N 3.16Å; P258-K261 HydrophobicContact CB-CG 4.49Å; P258-K261 HydrophobicContact CG-CB 4.26Å; P258-K261 HydrophobicContact CG-CG 3.82Å; P258-K261 PolarHBondContact O-N 3.45Å; P258-K261 VanDerWaalsContact O-N 3.12Å; P258-L275 HydrophobicContact CG-CD2 3.99Å
259	L	97.6	Very high	95.8	Very high	35 Å²	35	51 Å²	51	18%	0.183	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.6	-32.8	-176	-179.3	65.5	0	0	0	112.6	M206 L230 Y231 F257 K261 V262 L383	M206-L259 HydrophobicContact CE-CD2 3.7Å; M206-L259 HydrophobicContact SD-CD2 4.07Å; L230-L259 HydrophobicContact CB-CD1 4.46Å; L230-L259 HydrophobicContact CD1-CD1 4.45Å; Y231-L259 VanDerWaalsContact O-CB 3.29Å; Y231-L259 WeakPolarHBondContact O-CB 3.43Å; Y231-L259 PolarHBondContact O-N 3.24Å; F257-L259 PolarHBondContact O-N 3.45Å; L259-K261 PolarHBondContact O-N 2.92Å; L259-K261 VanDerWaalsContact O-N 3.16Å; L259-V262 HydrophobicContact CD1-CG2 4.05Å; L259-V262 WeakPolarHBondContact O-CB 3.46Å; L259-V262 WeakPolarHBondContact O-CG2 3.34Å; L259-V262 PolarHBondContact O-N 3.49Å; L259-V262 VanDerWaalsContact O-N 3.16Å; L259-L383 HydrophobicContact CD1-CD2 4Å; L259-L383 HydrophobicContact CD2-CD2 3.79Å; L259-L383 HydrophobicContact CG-CD2 4.47Å
260	N	95.8	Very high	95.4	Very high	119 Å²	119	49.7 Å²	49.7	64%	0.636	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-68.6	-8.5	-179.9	67.3	-5.4	0	0	0	114.1	P258	P258-N260 WeakPolarHBondContact CB-OD1 3.15Å; P258-N260 PolarHBondContact O-N 3.16Å
261	K	95.5	Very high	94.6	Very high	33 Å²	33	50 Å²	50	14%	0.143	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-103.8	0.1	175.3	-56.6	-54.1	-178	174.3	0	113.4	F257 P258 L259 D263 S264 L265 F270 M274	F257-K261 HydrophobicContact CE1-CB 3.92Å; F257-K261 HydrophobicContact CZ-CB 3.74Å; P258-K261 HydrophobicContact CB-CG 4.49Å; P258-K261 HydrophobicContact CG-CB 4.26Å; P258-K261 HydrophobicContact CG-CG 3.82Å; P258-K261 PolarHBondContact O-N 3.45Å; P258-K261 VanDerWaalsContact O-N 3.12Å; L259-K261 PolarHBondContact O-N 2.92Å; L259-K261 VanDerWaalsContact O-N 3.16Å; K261-D263 VanDerWaalsContact C-N 3.34Å; K261-D263 PolarHBondContact O-N 2.9Å; K261-S264 PolarHBondContact O-N 2.96Å; K261-L265 PolarHBondContact O-N 3.41Å; K261-F270 HydrophobicContact CB-CD2 4.15Å; K261-F270 HydrophobicContact CB-CE2 4.1Å; K261-F270 HydrophobicContact CG-CE2 4.37Å; K261-M274 WeakPolarHBondContact CE-O 3.34Å; K261-M274 PolarHBondContact NZ-O 3.45Å
262	V	96.3	Very high	93.5	Very high	7 Å²	7	47 Å²	47	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-42.3	-178.6	165	0	0	0	0	111.9	L230 F257 L259 S264 L265 L266 L387 F390	L230-V262 HydrophobicContact CD1-CG2 4.39Å; L230-V262 HydrophobicContact CD2-CG2 4.29Å; F257-V262 HydrophobicContact CD1-CG2 4.33Å; F257-V262 HydrophobicContact CE1-CG2 4.21Å; L259-V262 HydrophobicContact CD1-CG2 4.05Å; L259-V262 WeakPolarHBondContact O-CB 3.46Å; L259-V262 WeakPolarHBondContact O-CG2 3.34Å; L259-V262 PolarHBondContact O-N 3.49Å; L259-V262 VanDerWaalsContact O-N 3.16Å; V262-S264 PolarHBondContact O-N 2.93Å; V262-L265 WeakPolarHBondContact O-CB 3.45Å; V262-L265 PolarHBondContact O-N 3.48Å; V262-L265 VanDerWaalsContact O-N 3.13Å; V262-L266 HydrophobicContact CG1-CD1 3.97Å; V262-L266 HydrophobicContact CG1-CG 4.36Å; V262-L266 WeakPolarHBondContact O-CG 3.46Å; V262-L266 PolarHBondContact O-N 3.35Å; V262-L387 HydrophobicContact CG1-CD2 3.93Å; V262-L387 HydrophobicContact CG2-CD2 4.27Å; V262-F390 HydrophobicContact CG1-CE2 3.89Å; V262-F390 HydrophobicContact CG1-CZ 4.24Å
263	D	95.3	Very high	92.3	Very high	97 Å²	97	48.7 Å²	48.7	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-46.5	178.6	-175.6	77.2	0	0	0	111.8	K261 L265 L266 H267	K261-D263 VanDerWaalsContact C-N 3.34Å; K261-D263 PolarHBondContact O-N 2.9Å; D263-L265 PolarHBondContact O-N 2.91Å; D263-L266 PolarHBondContact O-N 3.03Å; D263-H267 PolarHBondContact O-N 3.29Å; D263-H267 VanDerWaalsContact O-N 3.16Å; D263-H267 PolarHBondContact O-ND1 3.1Å; D263-H267 IonicContact OD1-CE1 2.98Å; D263-H267 PolarHBondContact OD1-CE1 3.39Å; D263-H267 IonicContact OD1-ND1 2.87Å; D263-H267 PolarHBondContact OD1-ND1 3.17Å; D263-H267 IonicContact OD2-CE1 2.81Å; D263-H267 IonicContact OD2-ND1 3.05Å
264	S	94.9	Very high	91.3	Very high	18 Å²	18	50.7 Å²	50.7	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-61.6	-34.7	175.3	-48.2	0	0	0	0	112.3	K261 V262 G268 T269 F270	K261-S264 PolarHBondContact O-N 2.96Å; V262-S264 PolarHBondContact O-N 2.93Å; S264-G268 PolarHBondContact O-N 3.32Å; S264-G268 VanDerWaalsContact O-N 3.12Å; S264-T269 WeakPolarHBondContact CA-OG1 3.27Å; S264-T269 PolarHBondContact O-N 2.95Å; S264-T269 PolarHBondContact O-OG1 3.42Å; S264-F270 PolarHBondContact O-N 3.36Å
265	L	94.8	Very high	90	Very high	15 Å²	15	52 Å²	52	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-40.8	178.1	-168.5	64.8	0	0	0	111.9	F257 K261 V262 D263 H267 G268 F270 A361 L364 F390	F257-L265 HydrophobicContact CE1-CD2 3.99Å; F257-L265 HydrophobicContact CZ-CB 4.44Å; F257-L265 HydrophobicContact CZ-CD2 3.96Å; K261-L265 PolarHBondContact O-N 3.41Å; V262-L265 WeakPolarHBondContact O-CB 3.45Å; V262-L265 PolarHBondContact O-N 3.48Å; V262-L265 VanDerWaalsContact O-N 3.13Å; D263-L265 PolarHBondContact O-N 2.91Å; L265-H267 VanDerWaalsContact C-N 3.3Å; L265-H267 PolarHBondContact O-N 2.99Å; L265-G268 PolarHBondContact O-N 3.17Å; L265-F270 HydrophobicContact CB-CB 4.47Å; L265-F270 HydrophobicContact CD1-CB 4.04Å; L265-F270 HydrophobicContact CD1-CD1 4.09Å; L265-F270 HydrophobicContact CD1-CG 4.09Å; L265-A361 HydrophobicContact CD1-CB 3.92Å; L265-A361 HydrophobicContact CD2-CB 4.35Å; L265-L364 HydrophobicContact CD2-CB 3.8Å; L265-L364 HydrophobicContact CD2-CD1 3.84Å; L265-L364 HydrophobicContact CD2-CG 4.48Å; L265-F390 HydrophobicContact CD2-CE1 4.17Å; L265-F390 HydrophobicContact CD2-CZ 4Å; L265-F390 HydrophobicContact CG-CE1 4.44Å; L265-F390 HydrophobicContact CG-CZ 4.4Å
266	L	92.8	Very high	88.3	Confident	28 Å²	28	54.6 Å²	54.6	15%	0.147	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-35.8	177.4	-72.3	170.2	0	0	0	112.3	V262 D263 R367 D389 F390	V262-L266 HydrophobicContact CG1-CD1 3.97Å; V262-L266 HydrophobicContact CG1-CG 4.36Å; V262-L266 WeakPolarHBondContact O-CG 3.46Å; V262-L266 PolarHBondContact O-N 3.35Å; D263-L266 PolarHBondContact O-N 3.03Å; L266-R367 PolarHBondContact O-NH2 2.79Å; L266-D389 HydrophobicContact CD2-CB 3.61Å; L266-F390 HydrophobicContact CD2-CD1 4.26Å; L266-F390 HydrophobicContact CD2-CE1 3.58Å; L266-F390 HydrophobicContact CD2-CE2 4.1Å; L266-F390 HydrophobicContact CD2-CZ 3.49Å; L266-F390 VanDerWaalsContact CD2-CZ 3.49Å; L266-F390 HydrophobicContact CG-CE1 4.28Å; L266-F390 HydrophobicContact CG-CE2 4.41Å; L266-F390 HydrophobicContact CG-CZ 3.77Å
267	H	92.3	Very high	86	Confident	128 Å²	128	57.2 Å²	57.2	59%	0.593	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.7	179.7	-62.8	99.4	0	0	0	114.2	D263 L265 T269	D263-H267 PolarHBondContact O-N 3.29Å; D263-H267 VanDerWaalsContact O-N 3.16Å; D263-H267 PolarHBondContact O-ND1 3.1Å; D263-H267 IonicContact OD1-CE1 2.98Å; D263-H267 PolarHBondContact OD1-CE1 3.39Å; D263-H267 IonicContact OD1-ND1 2.87Å; D263-H267 PolarHBondContact OD1-ND1 3.17Å; D263-H267 IonicContact OD2-CE1 2.81Å; D263-H267 IonicContact OD2-ND1 3.05Å; L265-H267 VanDerWaalsContact C-N 3.3Å; L265-H267 PolarHBondContact O-N 2.99Å; H267-T269 HydrophobicContact CB-CG2 4.43Å; H267-T269 PolarHBondContact O-N 2.7Å
268	G	89.7	Confident	83.3	Confident	68 Å²	68	64.6 Å²	64.6	70%	0.701	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	15.8	-179.4	0	0	0	0	0	114.7	S264 L265	S264-G268 PolarHBondContact O-N 3.32Å; S264-G268 VanDerWaalsContact O-N 3.12Å; L265-G268 PolarHBondContact O-N 3.17Å
269	T	91.4	Very high	80.6	Confident	91 Å²	91	69.8 Å²	69.8	56%	0.558	40%	0.403	S	S	*	.			trans	-95.2	5.4	178.2	57.4	0	0	0	0	112.9	S264 H267 S271	S264-T269 WeakPolarHBondContact CA-OG1 3.27Å; S264-T269 PolarHBondContact O-N 2.95Å; S264-T269 PolarHBondContact O-OG1 3.42Å; H267-T269 HydrophobicContact CB-CG2 4.43Å; H267-T269 PolarHBondContact O-N 2.7Å; T269-S271 PolarHBondContact O-N 3.49Å
270	F	89.9	Confident	77.5	Confident	42 Å²	42	77.6 Å²	77.6	18%	0.184	44%	0.435	C	S	.	.			trans	-68.7	121.7	178.7	177	-101.1	0	0	0	112	F257 K261 S264 L265 L275 A361	F257-F270 HydrophobicContact CE2-CE1 4.46Å; F257-F270 AromaticContact CE2-CE2 3.82Å; F257-F270 HydrophobicContact CE2-CE2 3.82Å; F257-F270 AromaticContact CE2-CZ 3.76Å; F257-F270 HydrophobicContact CE2-CZ 3.76Å; F257-F270 HydrophobicContact CZ-CD2 4.16Å; F257-F270 AromaticContact CZ-CE2 3.79Å; F257-F270 HydrophobicContact CZ-CE2 3.79Å; F257-F270 HydrophobicContact CZ-CZ 4.17Å; K261-F270 HydrophobicContact CB-CD2 4.15Å; K261-F270 HydrophobicContact CB-CE2 4.1Å; K261-F270 HydrophobicContact CG-CE2 4.37Å; S264-F270 PolarHBondContact O-N 3.36Å; L265-F270 HydrophobicContact CB-CB 4.47Å; L265-F270 HydrophobicContact CD1-CB 4.04Å; L265-F270 HydrophobicContact CD1-CD1 4.09Å; L265-F270 HydrophobicContact CD1-CG 4.09Å; F270-L275 HydrophobicContact CE2-CD2 4Å; F270-L275 HydrophobicContact CE2-CG 4.22Å; F270-L275 HydrophobicContact CZ-CD1 3.96Å; F270-L275 HydrophobicContact CZ-CD2 4.06Å; F270-L275 HydrophobicContact CZ-CG 4Å; F270-A361 HydrophobicContact CD1-CB 4.31Å; F270-A361 HydrophobicContact CE1-CB 3.83Å; F270-A361 HydrophobicContact CZ-CB 4.35Å
271	S	80.1	Confident	74.3	Confident	45 Å²	45	79.9 Å²	79.9	32%	0.315	45%	0.448	S	S	.	.			trans	-115.4	145.9	171.2	172.3	0	0	0	0	111.3	T269 E273 M274	T269-S271 PolarHBondContact O-N 3.49Å; S271-E273 PolarHBondContact O-N 3.47Å; S271-E273 VanDerWaalsContact O-N 3.14Å; S271-E273 PolarHBondContact OG-N 3.33Å; S271-M274 VanDerWaalsContact O-CB 3.3Å; S271-M274 WeakPolarHBondContact O-CB 3.4Å; S271-M274 PolarHBondContact O-N 2.83Å
272	A	74.1	Confident	71.3	Confident	29 Å²	29	83.7 Å²	83.7	24%	0.24	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-58.5	-24.7	175.8	0	0	0	0	0	113.2	M274 L275 L358	A272-M274 VanDerWaalsContact C-N 3.28Å; A272-L275 PolarHBondContact O-N 3.01Å; A272-L358 HydrophobicContact CB-CD1 4Å; A272-L358 HydrophobicContact CB-CD2 4.08Å; A272-L358 HydrophobicContact CB-CG 4.42Å
273	E	71.8	Confident	68.1	Low	155 Å²	155	87.7 Å²	87.7	72%	0.724	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-70.4	-24.6	175.5	-65.4	163.3	-179.4	0	0	112.1	S271 L275 S276	S271-E273 PolarHBondContact O-N 3.47Å; S271-E273 VanDerWaalsContact O-N 3.14Å; S271-E273 PolarHBondContact OG-N 3.33Å; E273-L275 PolarHBondContact O-N 3.05Å; E273-S276 PolarHBondContact O-N 2.82Å; E273-S276 PolarHBondContact O-OG 2.85Å
274	M	74.1	Confident	65	Low	63 Å²	63	90.7 Å²	90.7	31%	0.31	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-72.1	-10.4	179.2	-60.1	179.5	79	0	0	113.2	K261 S271 A272	K261-M274 WeakPolarHBondContact CE-O 3.34Å; K261-M274 PolarHBondContact NZ-O 3.45Å; S271-M274 VanDerWaalsContact O-CB 3.3Å; S271-M274 WeakPolarHBondContact O-CB 3.4Å; S271-M274 PolarHBondContact O-N 2.83Å; A272-M274 VanDerWaalsContact C-N 3.28Å
275	L	71.6	Confident	61.9	Low	39 Å²	39	96.3 Å²	96.3	20%	0.204	56%	0.56	C	S	.	*	G	3₁₀ helix	trans	-84.6	-10.3	177	-64.1	174.3	0	0	0	112.9	P258 F270 A272 E273 R354 H357 L358	P258-L275 HydrophobicContact CG-CD2 3.99Å; F270-L275 HydrophobicContact CE2-CD2 4Å; F270-L275 HydrophobicContact CE2-CG 4.22Å; F270-L275 HydrophobicContact CZ-CD1 3.96Å; F270-L275 HydrophobicContact CZ-CD2 4.06Å; F270-L275 HydrophobicContact CZ-CG 4Å; A272-L275 PolarHBondContact O-N 3.01Å; E273-L275 PolarHBondContact O-N 3.05Å; L275-R354 HydrophobicContact CB-CG 4.28Å; L275-R354 HydrophobicContact CD1-CG 3.8Å; L275-H357 HydrophobicContact CD1-CB 3.69Å; L275-H357 HydrophobicContact CD2-CB 4.17Å; L275-L358 HydrophobicContact CD1-CD1 3.6Å
276	S	63.2	Low	58.8	Low	96 Å²	96	104 Å²	104	67%	0.671	60%	0.596	S	S	*	*	S	Bend	trans	-99.5	-8.7	-174	65.2	0	0	0	0	114.9	E273 E278	E273-S276 PolarHBondContact O-N 2.82Å; E273-S276 PolarHBondContact O-OG 2.85Å; S276-E278 PolarHBondContact O-N 3.13Å
277	S	48.3	Very low	55.8	Low	84 Å²	84	111.9 Å²	111.9	59%	0.587	63%	0.632	S	S	*	*			trans	-89.8	101.4	-177.9	65.4	0	0	0	0	111.9
278	E	43.4	Very low	52.7	Low	155 Å²	155	111.6 Å²	111.6	72%	0.724	65%	0.645	S	S	*	*			trans	-73.8	154.9	152.6	-72.3	-157.7	162.8	0	0	110	S276 K280	S276-E278 PolarHBondContact O-N 3.13Å; E278-K280 PolarHBondContact O-N 2.77Å
279	P	39.6	Very low	49.7	Very low	119 Å²	119	116.1 Å²	116.1	77%	0.773	65%	0.653	S	S	*	*			trans	-61	128.9	168.1	-10.9	25.8	0	0	0	108.9	D281	P279-D281 PolarHBondContact O-N 2.97Å; P279-D281 VanDerWaalsContact O-N 3.12Å
280	K	32.7	Very low	46.5	Very low	199 Å²	199	115.5 Å²	115.5	87%	0.865	66%	0.664	S	S	*	*			trans	-68.6	105.5	165.6	-69.4	-179.7	179.3	179.6	0	107.4	E278 S282	E278-K280 PolarHBondContact O-N 2.77Å; K280-S282 VanDerWaalsContact C-N 3.25Å; K280-S282 PolarHBondContact O-N 3.26Å
281	D	28.6	Very low	43.4	Very low	167 Å²	167	119.6 Å²	119.6	89%	0.893	69%	0.692	S	S	*	*			trans	-65.8	95.2	156.2	-89.2	-24.3	0	0	0	107.3	P279 A283	P279-D281 PolarHBondContact O-N 2.97Å; P279-D281 VanDerWaalsContact O-N 3.12Å; D281-A283 PolarHBondContact O-N 3.25Å
282	S	32.7	Very low	40.7	Very low	113 Å²	113	124.6 Å²	124.6	79%	0.79	72%	0.715	S	S	*	*			trans	-80.1	89.4	165.6	54.2	0	0	0	0	108.7	K280	K280-S282 VanDerWaalsContact C-N 3.25Å; K280-S282 PolarHBondContact O-N 3.26Å
283	A	28.6	Very low	38.4	Very low	90 Å²	90	132.3 Å²	132.3	74%	0.744	75%	0.746	S	S	*	*			trans	-129	88.6	152.8	0	0	0	0	0	107.2	D281 V285	D281-A283 PolarHBondContact O-N 3.25Å; A283-V285 PolarHBondContact O-N 2.88Å
284	L	31.1	Very low	36.2	Very low	160 Å²	160	132 Å²	132	84%	0.838	75%	0.745	S	S	*	*			trans	-65.9	119.6	164.6	-71.6	161.3	0	0	0	107.5
285	V	30.1	Very low	33.8	Very low	137 Å²	137	136.5 Å²	136.5	83%	0.83	76%	0.762	S	S	*	*			trans	-120.6	106.2	148.7	-166.3	0	0	0	0	105.1	A283 E287	A283-V285 PolarHBondContact O-N 2.88Å; V285-E287 PolarHBondContact O-N 3.49Å
286	E	29.7	Very low	31.5	Very low	177 Å²	177	142.7 Å²	142.7	83%	0.827	79%	0.791	S	S	*	*			trans	-63.1	114.6	170	-68.1	-177.9	151.7	0	0	108.3
287	E	28.5	Very low	29.6	Very low	193 Å²	193	142.9 Å²	142.9	90%	0.902	80%	0.798	S	S	*	*			trans	-82.3	116	155.9	-79.5	-170.2	159.7	0	0	107.8	V285	V285-E287 PolarHBondContact O-N 3.49Å
288	S	27.7	Very low	28.5	Very low	122 Å²	122	144.7 Å²	144.7	85%	0.853	81%	0.811	S	S	*	*			trans	-118.3	123.2	156.7	-157.7	0	0	0	0	109.2
289	N	25.9	Very low	27.5	Very low	163 Å²	163	145.5 Å²	145.5	87%	0.872	81%	0.814	S	S	*	*			trans	-57.2	147.5	-178.6	-90.2	-30.4	0	0	0	113.9
290	G	25.5	Very low	26.8	Very low	77 Å²	77	147.3 Å²	147.3	79%	0.794	81%	0.812	S	S	*	*			trans	-172	89.7	164.4	0	0	0	0	0	113
291	T	23.4	Very low	26.4	Very low	128 Å²	128	144.4 Å²	144.4	79%	0.785	80%	0.802	S	S	*	*			trans	-49.4	155.8	177.7	13.7	0	0	0	0	118.2
292	L	25	Very low	26.2	Very low	151 Å²	151	142.8 Å²	142.8	79%	0.791	79%	0.793	S	S	*	*			trans	76.9	110	147	-74	156.4	0	0	0	118.2
293	E	25.6	Very low	25.9	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	79%	0.794	S	S	*	*				175.2	164.6	98.8	-105.5	173.4	-165.4	0	0	113.3
294	E	24	Very low	25.6	Very low	150 Å²	150	147.8 Å²	147.8	70%	0.701	79%	0.793	S	S	*	*			trans	-70.9	158.8	-166.3	-70.6	-173.9	156.3	0	0	116.9
295	K	24.6	Very low	25.3	Very low	156 Å²	156	146.1 Å²	146.1	68%	0.678	80%	0.795	S	S	*	*			trans	85.7	128.4	138.3	-87.3	169.5	-174	135.3	0	121.5
296	Q	22.4	Very low	25	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	79%	0.791	S	S	*	*			trans	83.3	102.9	135.3	-75.6	174.6	-20.3	0	0	119.6
297	A	24	Very low	24.8	Very low	99 Å²	99	143.1 Å²	143.1	82%	0.818	79%	0.79	S	S	*	*				36	119.7	119.3	0	0	0	0	0	119
298	S	24.7	Very low	24.6	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	79%	0.785	S	S	*	*				-152	134	128.5	53.1	0	0	0	0	110.7
299	E	23.2	Very low	24.3	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	78%	0.782	S	S	*	*			trans	-79.9	179.6	174.4	-61.5	173.1	143.5	0	0	111
300	Q	24.6	Very low	24.5	Very low	157 Å²	157	139 Å²	139	73%	0.734	78%	0.78	S	S	*	*			trans	83.9	134.3	160	-63.4	177.6	-58.3	0	0	115.7
301	E	25.3	Very low	24.3	Very low	139 Å²	139	144.1 Å²	144.1	65%	0.65	78%	0.782	S	S	*	*			cis	-169.9	151.5	12.7	-122	163.8	-159.9	0	0	109.6
302	N	24.4	Very low	24.4	Very low	132 Å²	132	143.6 Å²	143.6	71%	0.706	78%	0.784	S	S	*	*			trans	53.9	144.1	141.7	-71	-7.9	0	0	0	120.5
303	E	25.6	Very low	24.3	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.813	78%	0.784	S	S	*	*			cis	-166.4	121.1	36.9	-129.5	163.1	-155.4	0	0	105.2
304	D	22.6	Very low	24.4	Very low	134 Å²	134	142.7 Å²	142.7	72%	0.717	78%	0.78	S	S	*	*				70.2	121.7	80.4	-143.4	9.5	0	0	0	115.9
305	S	25.2	Very low	24.4	Very low	125 Å²	125	141.1 Å²	141.1	87%	0.874	78%	0.783	S	S	*	*			trans	-172.4	108.6	154.7	-77.6	0	0	0	0	110.7
306	M	23.5	Very low	24.4	Very low	154 Å²	154	141.1 Å²	141.1	76%	0.759	79%	0.785	S	S	*	*			trans	-66.8	156.5	-175.1	-61.5	167.1	60.7	0	0	115.9
307	A	24.6	Very low	24.5	Very low	97 Å²	97	140.5 Å²	140.5	80%	0.802	79%	0.788	S	S	*	*				-178.8	107.4	116.5	0	0	0	0	0	113.9
308	E	24	Very low	24.6	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.804	78%	0.78	S	S	*	*			trans	34.1	113.3	140.8	-62.7	-174.8	151.6	0	0	124.1
309	A	22.9	Very low	24.8	Very low	96 Å²	96	145 Å²	145	79%	0.793	78%	0.778	S	S	*	*				36	150.4	117.3	0	0	0	0	0	121.9
310	P	28.8	Very low	24.8	Very low	125 Å²	125	142.3 Å²	142.3	81%	0.812	77%	0.773	S	S	*	*			cis	-141.6	170.6	36.1	37.5	-15.8	0	0	0	118.5
311	E	22.4	Very low	25	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	78%	0.777	S	S	*	*			trans	-56.3	141.2	177.4	-61.6	175.3	141.2	0	0	114.6
312	S	25.5	Very low	25	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	78%	0.775	S	S	*	*			trans	-139.6	117.3	145.1	57.8	0	0	0	0	109.7	H314	S312-H314 PolarHBondContact O-N 2.91Å
313	N	23.3	Very low	25	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	76%	0.764	S	S	*	*			trans	-71.9	116.5	174.3	-88.7	-38.5	0	0	0	110.2
314	H	26.5	Very low	25.1	Very low	174 Å²	174	136.3 Å²	136.3	81%	0.806	75%	0.751	S	S	*	*			trans	-149.3	115.4	153.7	-105.6	-65.4	0	0	0	108.9	S312 E316	S312-H314 PolarHBondContact O-N 2.91Å; H314-E316 PolarHBondContact O-N 3.32Å
315	P	25.1	Very low	25.2	Very low	117 Å²	117	134.3 Å²	134.3	76%	0.76	75%	0.747	S	S	*	*			trans	-77.6	103.6	166.1	28.5	-26.8	0	0	0	108.1	D317	P315-D317 PolarHBondContact O-N 3.4Å
316	E	24.5	Very low	25.4	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	74%	0.744	S	S	*	*			trans	-73.7	106.2	159.7	-69.3	-170.7	164.4	0	0	108.1	H314 Q318	H314-E316 PolarHBondContact O-N 3.32Å; E316-Q318 PolarHBondContact O-N 2.9Å
317	D	24.7	Very low	25.6	Very low	157 Å²	157	136 Å²	136	84%	0.84	74%	0.744	S	S	*	*			trans	-64.8	81.6	163.7	-80.9	-34.9	0	0	0	109	P315 E319	P315-D317 PolarHBondContact O-N 3.4Å; D317-E319 PolarHBondContact O-N 2.94Å; D317-E319 VanDerWaalsContact O-N 3.1Å
318	Q	26.1	Very low	26	Very low	142 Å²	142	136.9 Å²	136.9	66%	0.664	74%	0.742	S	S	*	*			trans	-71.5	93.7	161.7	-75.6	-178.7	2.5	0	0	108	E316 T320	E316-Q318 PolarHBondContact O-N 2.9Å; Q318-T320 PolarHBondContact O-N 3.39Å; Q318-T320 PolarHBondContact O-OG1 3.49Å
319	E	27.9	Very low	26.5	Very low	176 Å²	176	137.1 Å²	137.1	82%	0.822	74%	0.743	S	S	*	*			trans	-59.9	88.2	164.5	-78.9	-173.8	171.7	0	0	109.2	D317	D317-E319 PolarHBondContact O-N 2.94Å; D317-E319 VanDerWaalsContact O-N 3.1Å
320	T	24.3	Very low	26.9	Very low	113 Å²	113	141 Å²	141	69%	0.693	74%	0.744	S	S	*	*			trans	-96.9	134.7	166	33.5	0	0	0	0	110	Q318	Q318-T320 PolarHBondContact O-N 3.39Å; Q318-T320 PolarHBondContact O-OG1 3.49Å
321	M	27.7	Very low	27	Very low	163 Å²	163	144 Å²	144	80%	0.803	74%	0.744	S	S	*	*			trans	71.2	99.3	159.8	-69.6	-165.6	173.2	0	0	120.1
322	E	26.4	Very low	27.4	Very low	132 Å²	132	136.7 Å²	136.7	62%	0.617	72%	0.719	S	S	*	*				-118.9	83.8	123.4	-84.8	-174.7	174.2	0	0	107.6	K35 I324	K35-E322 IonicContact NZ-OE2 3.44Å; K35-E322 PolarHBondContact NZ-OE2 3.44Å; E322-I324 PolarHBondContact O-N 3.01Å
323	T	24.1	Very low	27.8	Very low	77 Å²	77	137.5 Å²	137.5	47%	0.472	72%	0.721	S	S	.	*			trans	-60.7	126.7	161.4	-51.3	0	0	0	0	106.6	S325	T323-S325 PolarHBondContact O-N 2.61Å; T323-S325 PolarHBondContact O-OG 3.02Å
324	I	27.4	Very low	28.5	Very low	105 Å²	105	139 Å²	139	54%	0.538	72%	0.72	S	S	.	*			trans	-65.3	87.8	160.5	-63.8	170.4	0	0	0	104.9	E322	E322-I324 PolarHBondContact O-N 3.01Å
325	S	24.5	Very low	29.3	Very low	91 Å²	91	139.6 Å²	139.6	64%	0.636	72%	0.723	S	S	*	*			trans	-59.2	136	171.9	-53.7	0	0	0	0	108.1	T323 D327	T323-S325 PolarHBondContact O-N 2.61Å; T323-S325 PolarHBondContact O-OG 3.02Å; S325-D327 PolarHBondContact O-N 2.86Å
326	Q	29.6	Very low	30.2	Very low	173 Å²	173	145.7 Å²	145.7	81%	0.808	73%	0.731	S	S	*	*	S	Bend	trans	-47.4	134.2	157.1	-70	170.5	-22.2	0	0	108.2
327	D	28.4	Very low	31.7	Very low	143 Å²	143	141 Å²	141	77%	0.765	73%	0.725	S	S	*	*			trans	32.4	117.4	172.5	-76.4	-38.8	0	0	0	117.9	S325 E329	S325-D327 PolarHBondContact O-N 2.86Å; D327-E329 PolarHBondContact O-N 2.93Å
328	P	32	Very low	33.8	Very low	115 Å²	115	136.2 Å²	136.2	75%	0.747	70%	0.704	S	S	*	*			trans	-68.4	101.2	161.8	28.9	-28.7	0	0	0	108.5	H330	P328-H330 PolarHBondContact O-N 3.45Å
329	E	33.4	Very low	36.2	Very low	176 Å²	176	138.2 Å²	138.2	82%	0.822	71%	0.71	S	S	*	*			trans	-51	112.4	153.6	-82.6	-170.8	164.5	0	0	107.7	D327 K331	D327-E329 PolarHBondContact O-N 2.93Å; E329-K331 PolarHBondContact O-N 3.32Å
330	H	31.4	Very low	38.7	Very low	177 Å²	177	137.6 Å²	137.6	82%	0.819	71%	0.705	S	S	*	*			trans	-59.4	100.9	175.8	-140	63.7	0	0	0	108.7	P328 G332	P328-H330 PolarHBondContact O-N 3.45Å; H330-G332 PolarHBondContact O-N 3.13Å; H330-G332 VanDerWaalsContact O-N 3.11Å
331	K	32	Very low	41.6	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	70%	0.695	S	S	*	*			trans	-82.6	59.5	158.2	-74.8	-171.7	-178.4	176.1	0	109.4	E329	E329-K331 PolarHBondContact O-N 3.32Å
332	G	31.3	Very low	44.6	Very low	31 Å²	31	136.9 Å²	136.9	32%	0.32	69%	0.689	S	S	.	*	S	Bend	trans	-73.8	173.2	146.7	0	0	0	0	0	109	H330 K334	H330-G332 PolarHBondContact O-N 3.13Å; H330-G332 VanDerWaalsContact O-N 3.11Å; G332-K334 PolarHBondContact O-N 3.12Å
333	P	34.2	Very low	47.6	Very low	134 Å²	134	135 Å²	135	87%	0.87	68%	0.682	S	S	*	*			trans	-53.9	120	177.9	4.2	0.9	0	0	0	108.2	E335	P333-E335 VanDerWaalsContact C-N 3.28Å; P333-E335 PolarHBondContact O-N 3.03Å
334	K	37.1	Very low	50.8	Low	179 Å²	179	137.7 Å²	137.7	78%	0.778	69%	0.689	S	S	*	*			trans	-61.7	92.5	177.5	-74.4	-176.6	174.7	-175.5	0	108.1	G332 R336	G332-K334 PolarHBondContact O-N 3.12Å; K334-R336 PolarHBondContact O-N 3Å; K334-R336 VanDerWaalsContact O-N 3.15Å
335	E	44.3	Very low	53.8	Low	186 Å²	186	136.4 Å²	136.4	87%	0.869	68%	0.681	S	S	*	*			trans	-57.3	116.7	149.2	-78.5	-170.1	159.2	0	0	105.8	P333 G337	P333-E335 VanDerWaalsContact C-N 3.28Å; P333-E335 PolarHBondContact O-N 3.03Å; E335-G337 PolarHBondContact O-N 2.84Å
336	R	43.9	Very low	56.9	Low	246 Å²	246	136.9 Å²	136.9	93%	0.928	67%	0.671	S	S	*	*			trans	-64.7	83.2	174.7	-79.5	177	171.9	178.9	-2.5	108	K334 S338	K334-R336 PolarHBondContact O-N 3Å; K334-R336 VanDerWaalsContact O-N 3.15Å; R336-S338 PolarHBondContact O-N 2.84Å
337	G	55	Low	59.7	Low	58 Å²	58	134.3 Å²	134.3	60%	0.598	66%	0.659	S	S	*	*			trans	-54.2	134.5	158.6	0	0	0	0	0	108.1	E335 K339	E335-G337 PolarHBondContact O-N 2.84Å; G337-K339 PolarHBondContact O-N 3.32Å
338	S	69.3	Low	62.8	Low	56 Å²	56	132.6 Å²	132.6	39%	0.392	64%	0.642	S	S	.	*			trans	-61.9	139.4	-177.8	-176.8	0	0	0	0	108.5	R336 K340 D341 Y342	R336-S338 PolarHBondContact O-N 2.84Å; S338-K340 PolarHBondContact O-N 3.21Å; S338-D341 WeakPolarHBondContact CB-OD2 3.41Å; S338-D341 PolarHBondContact N-OD2 2.67Å; S338-D341 WeakPolarHBondContact O-CB 3.39Å; S338-D341 PolarHBondContact O-N 2.96Å; S338-Y342 PolarHBondContact O-N 3.18Å
339	K	75.9	Confident	65.5	Low	183 Å²	183	133.5 Å²	133.5	80%	0.796	63%	0.631	S	S	*	*	H	α-helix	trans	-50.3	-27.1	172.8	-76.2	-176.8	177.5	-179.6	0	111.8	G337 I343	G337-K339 PolarHBondContact O-N 3.32Å; K339-I343 WeakPolarHBondContact O-CD1 3.5Å; K339-I343 VanDerWaalsContact O-CG1 3.3Å; K339-I343 WeakPolarHBondContact O-CG1 3.44Å; K339-I343 PolarHBondContact O-N 3.12Å
340	K	80.1	Confident	68.1	Low	164 Å²	164	129.5 Å²	129.5	71%	0.713	61%	0.612	S	S	*	*	H	α-helix	trans	-63.9	-42.1	174.8	-63.2	-174.8	177.8	-177.4	0	112.7	S338 Y342 I343 Q344	S338-K340 PolarHBondContact O-N 3.21Å; K340-Y342 PolarHBondContact O-N 2.98Å; K340-I343 PolarHBondContact O-N 2.93Å; K340-Q344 PolarHBondContact O-N 2.94Å
341	D	86.1	Confident	70.9	Confident	92 Å²	92	126.8 Å²	126.8	49%	0.492	60%	0.599	S	S	.	*	H	α-helix	trans	-67	-39.5	-177.8	-51.7	-26	0	0	0	110.7	S338 Q344 E345	S338-D341 WeakPolarHBondContact CB-OD2 3.41Å; S338-D341 PolarHBondContact N-OD2 2.67Å; S338-D341 WeakPolarHBondContact O-CB 3.39Å; S338-D341 PolarHBondContact O-N 2.96Å; D341-Q344 PolarHBondContact O-N 2.95Å; D341-E345 WeakPolarHBondContact O-CB 3.49Å; D341-E345 PolarHBondContact O-N 3.37Å
342	Y	89.6	Confident	73.7	Confident	169 Å²	169	122.8 Å²	122.8	66%	0.663	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-41.6	175.3	179.9	-102.1	0	0	0	112.6	S338 K340 Q344 E345 K346	S338-Y342 PolarHBondContact O-N 3.18Å; K340-Y342 PolarHBondContact O-N 2.98Å; Y342-Q344 VanDerWaalsContact C-N 3.34Å; Y342-E345 PolarHBondContact O-N 3.38Å; Y342-K346 WeakPolarHBondContact O-CB 3.08Å; Y342-K346 PolarHBondContact O-N 3.45Å
343	I	90.7	Very high	76.5	Confident	92 Å²	92	125 Å²	125	47%	0.472	59%	0.586	S	S	.	*	H	α-helix	trans	-63.6	-43	177	-68.6	166	0	0	0	110.3	K339 K340 K346 Q347	K339-I343 WeakPolarHBondContact O-CD1 3.5Å; K339-I343 VanDerWaalsContact O-CG1 3.3Å; K339-I343 WeakPolarHBondContact O-CG1 3.44Å; K339-I343 PolarHBondContact O-N 3.12Å; K340-I343 PolarHBondContact O-N 2.93Å; I343-K346 PolarHBondContact O-N 2.99Å; I343-Q347 WeakPolarHBondContact O-CG 3.29Å; I343-Q347 PolarHBondContact O-N 3.15Å
344	Q	91	Very high	79.2	Confident	134 Å²	134	123.1 Å²	123.1	63%	0.626	56%	0.561	S	S	*	*	H	α-helix	trans	-63.4	-45.4	177.4	-173.6	176.6	2	0	0	111.8	K340 D341 Y342 K346 Q347 R348	K340-Q344 PolarHBondContact O-N 2.94Å; D341-Q344 PolarHBondContact O-N 2.95Å; Y342-Q344 VanDerWaalsContact C-N 3.34Å; Q344-K346 VanDerWaalsContact C-N 3.33Å; Q344-K346 PolarHBondContact O-N 2.84Å; Q344-Q347 PolarHBondContact O-N 2.95Å; Q344-R348 PolarHBondContact O-N 3.44Å
345	E	89.5	Confident	81.8	Confident	78 Å²	78	121 Å²	121	36%	0.364	55%	0.552	S	S	.	*	H	α-helix	trans	-64.1	-38.2	176.6	179.4	54.9	-155.7	0	0	112	D341 Y342 R348 R349	D341-E345 WeakPolarHBondContact O-CB 3.49Å; D341-E345 PolarHBondContact O-N 3.37Å; Y342-E345 PolarHBondContact O-N 3.38Å; E345-R348 PolarHBondContact O-N 2.76Å; E345-R348 IonicContact OE1-CZ 3.42Å; E345-R348 IonicContact OE1-NE 2.7Å; E345-R348 PolarHBondContact OE1-NE 2.82Å; E345-R348 IonicContact OE1-NH2 2.85Å; E345-R348 PolarHBondContact OE1-NH2 3.35Å; E345-R348 IonicContact OE2-CZ 3.18Å; E345-R348 IonicContact OE2-NE 3.72Å; E345-R348 PolarHBondContact OE2-NE 3.11Å; E345-R348 IonicContact OE2-NH2 3.47Å; E345-R349 WeakPolarHBondContact O-CG 3.44Å; E345-R349 PolarHBondContact O-N 3.47Å
346	K	89.6	Confident	84.2	Confident	100 Å²	100	114.7 Å²	114.7	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-60.2	-46.3	173.2	-176.8	-179.9	177.3	-179	0	111.4	Y342 I343 Q344 R349 Q350	Y342-K346 WeakPolarHBondContact O-CB 3.08Å; Y342-K346 PolarHBondContact O-N 3.45Å; I343-K346 PolarHBondContact O-N 2.99Å; Q344-K346 VanDerWaalsContact C-N 3.33Å; Q344-K346 PolarHBondContact O-N 2.84Å; K346-R349 PolarHBondContact O-N 2.9Å; K346-Q350 WeakPolarHBondContact O-CG 3.46Å; K346-Q350 PolarHBondContact O-N 3.16Å
347	Q	89.6	Confident	86.6	Confident	119 Å²	119	103.5 Å²	103.5	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-62.8	-42.3	177.5	-73.3	178.3	-5.7	0	0	111.8	I343 Q344 R349 Q350 E351	I343-Q347 WeakPolarHBondContact O-CG 3.29Å; I343-Q347 PolarHBondContact O-N 3.15Å; Q344-Q347 PolarHBondContact O-N 2.95Å; Q347-R349 PolarHBondContact O-N 3.41Å; Q347-Q350 PolarHBondContact O-N 3.48Å; Q347-E351 PolarHBondContact O-N 3.06Å
348	R	92.4	Very high	88.5	Confident	108 Å²	108	103.9 Å²	103.9	41%	0.408	47%	0.466	S	S	.	.	H	α-helix	trans	-57.8	-48.1	175.7	-169	-170	71.7	75	8.6	111.6	Q344 E345 Q350 E351 E352	Q344-R348 PolarHBondContact O-N 3.44Å; E345-R348 PolarHBondContact O-N 2.76Å; E345-R348 IonicContact OE1-CZ 3.42Å; E345-R348 IonicContact OE1-NE 2.7Å; E345-R348 PolarHBondContact OE1-NE 2.82Å; E345-R348 IonicContact OE1-NH2 2.85Å; E345-R348 PolarHBondContact OE1-NH2 3.35Å; E345-R348 IonicContact OE2-CZ 3.18Å; E345-R348 IonicContact OE2-NE 3.72Å; E345-R348 PolarHBondContact OE2-NE 3.11Å; E345-R348 IonicContact OE2-NH2 3.47Å; R348-Q350 PolarHBondContact O-N 3.48Å; R348-E351 PolarHBondContact O-N 2.93Å; R348-E352 IonicContact CZ-OE1 3.63Å; R348-E352 IonicContact CZ-OE2 3.45Å; R348-E352 IonicContact NH1-OE1 2.7Å; R348-E352 PolarHBondContact NH1-OE1 3.18Å; R348-E352 IonicContact NH1-OE2 2.84Å; R348-E352 PolarHBondContact NH1-OE2 3.26Å; R348-E352 IonicContact NH2-OE2 3.4Å; R348-E352 WeakPolarHBondContact O-CG 3.25Å; R348-E352 PolarHBondContact O-N 3.23Å
349	R	89.4	Confident	89.8	Confident	134 Å²	134	104.3 Å²	104.3	51%	0.506	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-40.4	177.8	-69.7	177.8	71.4	-151.9	4.2	112.2	E345 K346 Q347 E352 Q353	E345-R349 WeakPolarHBondContact O-CG 3.44Å; E345-R349 PolarHBondContact O-N 3.47Å; K346-R349 PolarHBondContact O-N 2.9Å; Q347-R349 PolarHBondContact O-N 3.41Å; R349-E352 PolarHBondContact O-N 3.27Å; R349-Q353 WeakPolarHBondContact O-CB 3.38Å; R349-Q353 VanDerWaalsContact O-CG 3.24Å; R349-Q353 WeakPolarHBondContact O-CG 3.48Å; R349-Q353 PolarHBondContact O-N 2.77Å
350	Q	87.4	Confident	90.9	Very high	91 Å²	91	95.6 Å²	95.6	43%	0.425	42%	0.424	S	S	.	.	H	α-helix	trans	-63.6	-41.5	176.5	-75.6	177.7	-25.8	0	0	111.9	K346 Q347 R348 R354	K346-Q350 WeakPolarHBondContact O-CG 3.46Å; K346-Q350 PolarHBondContact O-N 3.16Å; Q347-Q350 PolarHBondContact O-N 3.48Å; R348-Q350 PolarHBondContact O-N 3.48Å; Q350-R354 VanDerWaalsContact O-CB 3.27Å; Q350-R354 WeakPolarHBondContact O-CB 3.31Å; Q350-R354 PolarHBondContact O-N 3.41Å
351	E	90.2	Very high	91.7	Very high	120 Å²	120	88 Å²	88	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-68.7	-40.7	177.3	-177.2	160.6	-150.2	0	0	112.4	Q347 R348 R354 K355	Q347-E351 PolarHBondContact O-N 3.06Å; R348-E351 PolarHBondContact O-N 2.93Å; E351-R354 PolarHBondContact O-N 3.44Å; E351-R354 IonicContact OE1-NH2 3.9Å; E351-K355 WeakPolarHBondContact O-CB 3.48Å; E351-K355 PolarHBondContact O-N 3.05Å
352	E	90.9	Very high	92.2	Very high	105 Å²	105	86.4 Å²	86.4	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-43.6	173.9	-76.5	-177.8	167.5	0	0	112.1	R348 R349 K355 R356	R348-E352 IonicContact CZ-OE1 3.63Å; R348-E352 IonicContact CZ-OE2 3.45Å; R348-E352 IonicContact NH1-OE1 2.7Å; R348-E352 PolarHBondContact NH1-OE1 3.18Å; R348-E352 IonicContact NH1-OE2 2.84Å; R348-E352 PolarHBondContact NH1-OE2 3.26Å; R348-E352 IonicContact NH2-OE2 3.4Å; R348-E352 WeakPolarHBondContact O-CG 3.25Å; R348-E352 PolarHBondContact O-N 3.23Å; R349-E352 PolarHBondContact O-N 3.27Å; E352-K355 PolarHBondContact O-N 2.88Å; E352-R356 WeakPolarHBondContact O-CB 3.42Å; E352-R356 PolarHBondContact O-N 2.82Å
353	Q	89.8	Confident	92.6	Very high	78 Å²	78	79.9 Å²	79.9	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-45.9	173.9	-77.2	175.3	-16.4	0	0	111.3	R349 K355 R356 H357	R349-Q353 WeakPolarHBondContact O-CB 3.38Å; R349-Q353 VanDerWaalsContact O-CG 3.24Å; R349-Q353 WeakPolarHBondContact O-CG 3.48Å; R349-Q353 PolarHBondContact O-N 2.77Å; Q353-K355 VanDerWaalsContact C-N 3.35Å; Q353-K355 PolarHBondContact O-N 2.76Å; Q353-R356 PolarHBondContact O-N 3.02Å; Q353-R356 VanDerWaalsContact O-N 3.12Å; Q353-H357 PolarHBondContact O-CD2 2.99Å; Q353-H357 VanDerWaalsContact O-CG 3.23Å; Q353-H357 PolarHBondContact O-N 3.08Å
354	R	90.6	Very high	93	Very high	94 Å²	94	75.6 Å²	75.6	36%	0.355	35%	0.346	S	S	.	.	H	α-helix	trans	-57.1	-49.4	176.2	-171.7	-172.5	71.8	100.8	-2.6	110.7	L275 Q350 E351 R356 H357 L358	L275-R354 HydrophobicContact CB-CG 4.28Å; L275-R354 HydrophobicContact CD1-CG 3.8Å; Q350-R354 VanDerWaalsContact O-CB 3.27Å; Q350-R354 WeakPolarHBondContact O-CB 3.31Å; Q350-R354 PolarHBondContact O-N 3.41Å; E351-R354 PolarHBondContact O-N 3.44Å; E351-R354 IonicContact OE1-NH2 3.9Å; R354-R356 VanDerWaalsContact C-N 3.3Å; R354-R356 PolarHBondContact O-N 3.19Å; R354-H357 PolarHBondContact O-N 3.4Å; R354-L358 HydrophobicContact CG-CD1 3.88Å; R354-L358 WeakPolarHBondContact O-CD1 3.45Å; R354-L358 PolarHBondContact O-N 2.81Å
355	K	93.3	Very high	93.3	Very high	133 Å²	133	72.1 Å²	72.1	58%	0.578	34%	0.337	S	S	*	.	H	α-helix	trans	-55.9	-46.4	175.8	-178.2	-177.2	174.1	-175.9	0	110.9	E351 E352 Q353 H357 L358 E359	E351-K355 WeakPolarHBondContact O-CB 3.48Å; E351-K355 PolarHBondContact O-N 3.05Å; E352-K355 PolarHBondContact O-N 2.88Å; Q353-K355 VanDerWaalsContact C-N 3.35Å; Q353-K355 PolarHBondContact O-N 2.76Å; K355-H357 VanDerWaalsContact C-N 3.32Å; K355-H357 PolarHBondContact O-N 3.42Å; K355-L358 PolarHBondContact O-N 2.95Å; K355-E359 VanDerWaalsContact CE-OE1 3.29Å; K355-E359 WeakPolarHBondContact CE-OE1 3.5Å; K355-E359 WeakPolarHBondContact O-CG 3.36Å; K355-E359 PolarHBondContact O-N 3.03Å
356	R	93.5	Very high	93.6	Very high	54 Å²	54	73.2 Å²	73.2	20%	0.204	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-36	179.5	-162.4	60	169.1	179	-2.7	112.8	N252 L254 Y255 E352 Q353 R354 E359 A360	N252-R356 PolarHBondContact O-NH2 3.48Å; L254-R356 PolarHBondContact O-NE 3.23Å; L254-R356 PolarHBondContact O-NH2 3.01Å; Y255-R356 VanDerWaalsContact CD1-CZ 3.48Å; E352-R356 WeakPolarHBondContact O-CB 3.42Å; E352-R356 PolarHBondContact O-N 2.82Å; Q353-R356 PolarHBondContact O-N 3.02Å; Q353-R356 VanDerWaalsContact O-N 3.12Å; R354-R356 VanDerWaalsContact C-N 3.3Å; R354-R356 PolarHBondContact O-N 3.19Å; R356-E359 IonicContact CZ-OE2 2.67Å; R356-E359 IonicContact NH1-OE2 3.66Å; R356-E359 PolarHBondContact NH1-OE2 2.82Å; R356-E359 PolarHBondContact O-N 3.12Å; R356-A360 WeakPolarHBondContact O-CB 3.24Å; R356-A360 PolarHBondContact O-N 2.8Å
357	H	94.4	Very high	94	Very high	12 Å²	12	73.7 Å²	73.7	6%	0.056	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-37.8	174.1	-64.2	-25.4	0	0	0	112.6	Y231 E256 F257 L275 Q353 R354 K355 A360 A361	Y231-H357 AromaticContact CE1-CE1 3.91Å; Y231-H357 AromaticContact CZ-CE1 3.91Å; Y231-H357 PolarHBondContact OH-CE1 3.43Å; Y231-H357 PolarHBondContact OH-NE2 3.16Å; E256-H357 PolarHBondContact O-ND1 2.95Å; F257-H357 HydrophobicContact CD2-CB 4.31Å; L275-H357 HydrophobicContact CD1-CB 3.69Å; L275-H357 HydrophobicContact CD2-CB 4.17Å; Q353-H357 PolarHBondContact O-CD2 2.99Å; Q353-H357 VanDerWaalsContact O-CG 3.23Å; Q353-H357 PolarHBondContact O-N 3.08Å; R354-H357 PolarHBondContact O-N 3.4Å; K355-H357 VanDerWaalsContact C-N 3.32Å; K355-H357 PolarHBondContact O-N 3.42Å; H357-A360 PolarHBondContact O-N 2.9Å; H357-A361 VanDerWaalsContact O-CB 3.3Å; H357-A361 WeakPolarHBondContact O-CB 3.43Å; H357-A361 PolarHBondContact O-N 3.46Å
358	L	95.5	Very high	94.5	Very high	65 Å²	65	71 Å²	71	34%	0.34	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-43.2	174.5	-88.7	80.9	0	0	0	111.3	A272 L275 R354 K355 A360 A361 A362	A272-L358 HydrophobicContact CB-CD1 4Å; A272-L358 HydrophobicContact CB-CD2 4.08Å; A272-L358 HydrophobicContact CB-CG 4.42Å; L275-L358 HydrophobicContact CD1-CD1 3.6Å; R354-L358 HydrophobicContact CG-CD1 3.88Å; R354-L358 WeakPolarHBondContact O-CD1 3.45Å; R354-L358 PolarHBondContact O-N 2.81Å; K355-L358 PolarHBondContact O-N 2.95Å; L358-A360 VanDerWaalsContact C-N 3.34Å; L358-A360 PolarHBondContact O-N 3.3Å; L358-A361 PolarHBondContact O-N 3.3Å; L358-A362 PolarHBondContact O-N 3.02Å
359	E	96.8	Very high	94.8	Very high	65 Å²	65	66 Å²	66	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-59.6	-46.2	174.3	-68.3	171.7	-169	0	0	110.9	Y255 K355 R356 A361 A362 L363	Y255-E359 HydrophobicContact CD1-CB 4.18Å; Y255-E359 HydrophobicContact CE1-CB 3.9Å; K355-E359 VanDerWaalsContact CE-OE1 3.29Å; K355-E359 WeakPolarHBondContact CE-OE1 3.5Å; K355-E359 WeakPolarHBondContact O-CG 3.36Å; K355-E359 PolarHBondContact O-N 3.03Å; R356-E359 IonicContact CZ-OE2 2.67Å; R356-E359 IonicContact NH1-OE2 3.66Å; R356-E359 PolarHBondContact NH1-OE2 2.82Å; R356-E359 PolarHBondContact O-N 3.12Å; E359-A361 PolarHBondContact O-N 3.42Å; E359-A362 PolarHBondContact O-N 3.09Å; E359-L363 WeakPolarHBondContact O-CG 3.39Å; E359-L363 PolarHBondContact O-N 2.72Å
360	A	97.8	Very high	95.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-41.5	176.9	0	0	0	0	0	112.3	I228 Y255 F257 R356 H357 L358 L363 L364	I228-A360 HydrophobicContact CG2-CB 4.34Å; Y255-A360 HydrophobicContact CD1-CB 4.47Å; F257-A360 HydrophobicContact CB-CB 3.96Å; F257-A360 HydrophobicContact CD2-CB 4.38Å; R356-A360 WeakPolarHBondContact O-CB 3.24Å; R356-A360 PolarHBondContact O-N 2.8Å; H357-A360 PolarHBondContact O-N 2.9Å; L358-A360 VanDerWaalsContact C-N 3.34Å; L358-A360 PolarHBondContact O-N 3.3Å; A360-L363 PolarHBondContact O-N 3.24Å; A360-L364 WeakPolarHBondContact O-CB 3.29Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.24Å; A360-L364 PolarHBondContact O-N 3.43Å
361	A	97.3	Very high	95.8	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-42.6	177.6	0	0	0	0	0	111.9	F257 L265 F270 H357 L358 E359 L364 S365	F257-A361 HydrophobicContact CD2-CB 4.16Å; F257-A361 HydrophobicContact CE2-CB 3.7Å; F257-A361 HydrophobicContact CZ-CB 4.43Å; L265-A361 HydrophobicContact CD1-CB 3.92Å; L265-A361 HydrophobicContact CD2-CB 4.35Å; F270-A361 HydrophobicContact CD1-CB 4.31Å; F270-A361 HydrophobicContact CE1-CB 3.83Å; F270-A361 HydrophobicContact CZ-CB 4.35Å; H357-A361 VanDerWaalsContact O-CB 3.3Å; H357-A361 WeakPolarHBondContact O-CB 3.43Å; H357-A361 PolarHBondContact O-N 3.46Å; L358-A361 PolarHBondContact O-N 3.3Å; E359-A361 PolarHBondContact O-N 3.42Å; A361-L364 PolarHBondContact O-N 2.85Å; A361-S365 WeakPolarHBondContact O-CB 3.41Å; A361-S365 PolarHBondContact O-N 2.98Å; A361-S365 PolarHBondContact O-OG 3.15Å
362	A	97.1	Very high	96.2	Very high	58 Å²	58	51.6 Å²	51.6	48%	0.479	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-47.6	175.1	0	0	0	0	0	110.9	L358 E359 L364 S365 E366	L358-A362 PolarHBondContact O-N 3.02Å; E359-A362 PolarHBondContact O-N 3.09Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 2.91Å; A362-S365 WeakPolarHBondContact O-CB 3.33Å; A362-S365 PolarHBondContact O-N 2.85Å; A362-S365 VanDerWaalsContact O-N 3.14Å; A362-E366 PolarHBondContact O-N 2.81Å
363	L	97.8	Very high	96.6	Very high	33 Å²	33	46.7 Å²	46.7	17%	0.173	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-37.5	178.3	-69.1	172.1	0	0	0	113.2	I228 Y255 E359 A360	I228-L363 HydrophobicContact CD1-CB 3.7Å; I228-L363 HydrophobicContact CD1-CD1 4.49Å; Y255-L363 HydrophobicContact CD1-CD1 3.96Å; Y255-L363 HydrophobicContact CD2-CD1 3.87Å; Y255-L363 HydrophobicContact CE1-CD1 3.78Å; Y255-L363 HydrophobicContact CE2-CD1 3.71Å; Y255-L363 HydrophobicContact CG-CD1 4Å; E359-L363 WeakPolarHBondContact O-CG 3.39Å; E359-L363 PolarHBondContact O-N 2.72Å; A360-L363 PolarHBondContact O-N 3.24Å
364	L	98.4	Very high	97	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-40.8	174	-74.4	168.2	0	0	0	111.2	I204 I228 L230 F257 L265 A360 A361 A362 E366 R367 F390	I204-L364 HydrophobicContact CD1-CD2 3.62Å; I204-L364 HydrophobicContact CG1-CD2 4.02Å; I228-L364 HydrophobicContact CD1-CD2 3.95Å; I228-L364 HydrophobicContact CD1-CG 3.98Å; I228-L364 HydrophobicContact CG2-CD1 4.08Å; I228-L364 HydrophobicContact CG2-CD2 4.06Å; I228-L364 HydrophobicContact CG2-CG 4.04Å; L230-L364 HydrophobicContact CD2-CD1 4.15Å; F257-L364 HydrophobicContact CB-CD1 4.16Å; F257-L364 HydrophobicContact CD1-CD1 3.92Å; F257-L364 HydrophobicContact CG-CD1 4Å; L265-L364 HydrophobicContact CD2-CB 3.8Å; L265-L364 HydrophobicContact CD2-CD1 3.84Å; L265-L364 HydrophobicContact CD2-CG 4.48Å; A360-L364 WeakPolarHBondContact O-CB 3.29Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.24Å; A360-L364 PolarHBondContact O-N 3.43Å; A361-L364 PolarHBondContact O-N 2.85Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 2.91Å; L364-E366 PolarHBondContact O-N 3.31Å; L364-R367 PolarHBondContact O-N 2.64Å; L364-F390 HydrophobicContact CB-CD1 4.07Å; L364-F390 HydrophobicContact CB-CE1 4.14Å; L364-F390 HydrophobicContact CB-CG 4.41Å; L364-F390 HydrophobicContact CD2-CB 4.23Å; L364-F390 HydrophobicContact CD2-CD2 4.03Å; L364-F390 HydrophobicContact CD2-CG 4.03Å; L364-F390 WeakPolarHBondContact O-CD1 3.35Å
365	S	97.2	Very high	97.4	Very high	61 Å²	61	38.6 Å²	38.6	43%	0.427	20%	0.195	S	C	.	.	H	α-helix	trans	-65.2	-20.5	-178.4	-58.8	0	0	0	0	113.4	A361 A362 R367	A361-S365 WeakPolarHBondContact O-CB 3.41Å; A361-S365 PolarHBondContact O-N 2.98Å; A361-S365 PolarHBondContact O-OG 3.15Å; A362-S365 WeakPolarHBondContact O-CB 3.33Å; A362-S365 PolarHBondContact O-N 2.85Å; A362-S365 VanDerWaalsContact O-N 3.14Å; S365-R367 PolarHBondContact O-N 3.33Å
366	E	97.6	Very high	97.6	Very high	100 Å²	100	32.7 Å²	32.7	47%	0.467	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.8	171.6	-67	174	-148.1	0	0	113.4	K202 A362 L364 N368	K202-E366 IonicContact NZ-OE1 3.6Å; K202-E366 IonicContact NZ-OE2 3.84Å; K202-E366 PolarHBondContact NZ-OE2 2.75Å; A362-E366 PolarHBondContact O-N 2.81Å; L364-E366 PolarHBondContact O-N 3.31Å; E366-N368 WeakPolarHBondContact CB-OD1 3.46Å; E366-N368 PolarHBondContact O-N 3.39Å; E366-N368 VanDerWaalsContact O-N 3.09Å; E366-N368 PolarHBondContact OE2-ND2 3.35Å; E366-N368 PolarHBondContact OE2-OD1 3.3Å
367	R	98.1	Very high	97.8	Very high	110 Å²	110	38 Å²	38	42%	0.415	19%	0.191	S	C	.	.			trans	51.1	33.7	178.7	-58.2	178.9	-179.9	-118.6	4	114.2	L266 L364 S365 D389 F390	L266-R367 PolarHBondContact O-NH2 2.79Å; L364-R367 PolarHBondContact O-N 2.64Å; S365-R367 PolarHBondContact O-N 3.33Å; R367-D389 WeakPolarHBondContact CD-O 3.21Å; R367-D389 VanDerWaalsContact CG-O 3.3Å; R367-D389 WeakPolarHBondContact CG-O 3.46Å; R367-D389 PolarHBondContact NH1-O 3.16Å; R367-D389 IonicContact NH1-OD2 2.7Å; R367-F390 CarbonylContact C-O 2.98Å; R367-F390 VanDerWaalsContact C-O 3.25Å; R367-F390 WeakPolarHBondContact CA-O 3.43Å; R367-F390 HydrophobicContact CG-CD1 4.45Å
368	N	98.4	Very high	98	Very high	64 Å²	64	40.9 Å²	40.9	34%	0.342	20%	0.203	S	C	.	.			trans	-122.3	25.3	-172.9	66.2	-1.8	0	0	0	113	K202 E366 F390	K202-N368 PolarHBondContact NZ-OD1 3Å; E366-N368 WeakPolarHBondContact CB-OD1 3.46Å; E366-N368 PolarHBondContact O-N 3.39Å; E366-N368 VanDerWaalsContact O-N 3.09Å; E366-N368 PolarHBondContact OE2-ND2 3.35Å; E366-N368 PolarHBondContact OE2-OD1 3.3Å; N368-F390 PolarHBondContact N-O 3.12Å
369	A	98.8	Very high	98.2	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-65.1	145.7	178.8	0	0	0	0	0	111.9	K202 I204 G371 F390 A392	K202-A369 CarbonylContact O-C 3.43Å; I204-A369 HydrophobicContact CD1-CB 3.57Å; I204-A369 HydrophobicContact CG1-CB 3.81Å; A369-G371 VanDerWaalsContact C-N 3.32Å; A369-F390 WeakPolarHBondContact CB-O 3.41Å; A369-F390 PolarHBondContact N-O 3.22Å; A369-F390 VanDerWaalsContact N-O 3.12Å; A369-A392 PolarHBondContact O-N 3.11Å
370	D	98.9	Very high	98.2	Very high	41 Å²	41	38.6 Å²	38.6	22%	0.219	19%	0.191	C	C	.	.	S	Bend	trans	-84.8	-4.1	-178.4	-69.6	-54.1	0	0	0	113.9	N201 K202 R395	N201-D370 WeakPolarHBondContact CA-OD2 3.27Å; N201-D370 HydrophobicContact CB-CB 4.04Å; K202-D370 PolarHBondContact N-OD2 3.21Å; K202-D370 PolarHBondContact O-N 3Å; D370-R395 WeakPolarHBondContact O-CB 3.3Å; D370-R395 WeakPolarHBondContact O-CD 3.36Å; D370-R395 IonicContact OD1-CZ 2.87Å; D370-R395 IonicContact OD1-NE 3.38Å; D370-R395 PolarHBondContact OD1-NE 3.35Å; D370-R395 IonicContact OD1-NH2 3.83Å
371	G	98.8	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.7	168.6	171.3	0	0	0	0	0	113.3	I204 A369 P396	I204-G371 PolarHBondContact N-O 3.25Å; A369-G371 VanDerWaalsContact C-N 3.32Å; G371-P396 WeakPolarHBondContact CA-O 3.29Å
372	L	98.9	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.7	-178.4	171.3	65.5	0	0	0	110.8	I204 V374 L384 L387 L388 V391 P396 F397 V398	I204-L372 HydrophobicContact CB-CD1 3.95Å; I204-L372 HydrophobicContact CG2-CD1 3.66Å; I204-L372 WeakPolarHBondContact O-CA 3.32Å; L372-V374 HydrophobicContact CD1-CG2 3.98Å; L372-V374 HydrophobicContact CD2-CG2 4.28Å; L372-V374 HydrophobicContact CG-CG2 4.01Å; L372-L384 HydrophobicContact CD2-CD1 3.68Å; L372-L387 HydrophobicContact CD1-CB 4.13Å; L372-L387 HydrophobicContact CD1-CD1 4.32Å; L372-L387 HydrophobicContact CD2-CB 3.8Å; L372-L388 HydrophobicContact CD2-CD2 4.03Å; L372-L388 HydrophobicContact CD2-CG 4.28Å; L372-V391 HydrophobicContact CB-CG2 3.8Å; L372-V391 HydrophobicContact CD2-CG2 4.49Å; L372-P396 PolarHBondContact N-O 2.86Å; L372-F397 HydrophobicContact CB-CB 4.07Å; L372-F397 CarbonylContact O-C 3.54Å; L372-F397 VanDerWaalsContact O-CA 3.27Å; L372-F397 WeakPolarHBondContact O-CA 3.43Å; L372-V398 PolarHBondContact O-N 2.7Å
373	I	98.9	Very high	98.4	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.3	172.7	-57.5	-62.5	0	0	0	109.6	M191 I197 M203 I204 V205 M206 V213 M217 V398	M191-I373 HydrophobicContact CE-CG2 3.74Å; I197-I373 HydrophobicContact CD1-CD1 4.26Å; I197-I373 HydrophobicContact CD1-CG1 4.09Å; M203-I373 HydrophobicContact CE-CG1 4.26Å; I204-I373 PolarHBondContact O-N 3.39Å; V205-I373 VanDerWaalsContact CA-O 3.32Å; V205-I373 WeakPolarHBondContact CA-O 3.38Å; V205-I373 HydrophobicContact CG2-CB 4.28Å; V205-I373 HydrophobicContact CG2-CG2 4.4Å; M206-I373 PolarHBondContact N-O 3.4Å; V213-I373 HydrophobicContact CG1-CG2 3.76Å; M217-I373 HydrophobicContact CE-CG1 4.15Å; M217-I373 HydrophobicContact SD-CB 4.13Å; M217-I373 HydrophobicContact SD-CG1 4.03Å; M217-I373 HydrophobicContact SD-CG2 4.4Å; I373-V398 WeakPolarHBondContact CA-O 3.32Å; I373-V398 HydrophobicContact CD1-CB 3.83Å; I373-V398 HydrophobicContact CD1-CG2 4.05Å
374	V	98.9	Very high	98.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.3	176	-177.7	0	0	0	0	109.6	M206 L372 L383 V398 V399 Y400	M206-V374 HydrophobicContact CB-CG2 4.48Å; M206-V374 WeakPolarHBondContact O-CA 3.18Å; L372-V374 HydrophobicContact CD1-CG2 3.98Å; L372-V374 HydrophobicContact CD2-CG2 4.28Å; L372-V374 HydrophobicContact CG-CG2 4.01Å; V374-L383 HydrophobicContact CG1-CB 4.5Å; V374-L383 HydrophobicContact CG1-CD1 3.96Å; V374-V398 PolarHBondContact N-O 2.96Å; V374-V399 HydrophobicContact CB-CB 4.48Å; V374-V399 HydrophobicContact CB-CG1 4.18Å; V374-V399 HydrophobicContact CB-CG2 4.17Å; V374-V399 HydrophobicContact CG1-CG1 4.36Å; V374-V399 HydrophobicContact CG2-CG2 4.39Å; V374-V399 WeakPolarHBondContact O-CA 3.33Å; V374-Y400 PolarHBondContact O-N 3.29Å
375	A	98.8	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	90	175.5	0	0	0	0	0	110.3	M191 M206 E207 T208 C209 V213 Y400	M191-A375 HydrophobicContact CE-CB 3.82Å; M206-A375 PolarHBondContact O-N 2.93Å; E207-A375 WeakPolarHBondContact CA-O 2.98Å; T208-A375 PolarHBondContact N-O 2.76Å; C209-A375 PolarHBondContact SG-O 3.23Å; C209-A375 VanDerWaalsContact SG-O 3.35Å; V213-A375 HydrophobicContact CG2-CB 4.02Å; A375-Y400 HydrophobicContact CB-CD1 4.16Å; A375-Y400 HydrophobicContact CB-CG 4.34Å
376	S	98.3	Very high	98.3	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.063	19%	0.194	C	C	.	.			trans	-140.7	169.9	-173.6	81.2	0	0	0	0	112.8	T208 F378	T208-S376 VanDerWaalsContact OG1-CA 3.27Å; T208-S376 WeakPolarHBondContact OG1-CA 3.09Å; S376-F378 PolarHBondContact OG-N 3.42Å; S376-F378 VanDerWaalsContact OG-N 3.17Å
377	R	98	Very high	98.4	Very high	165 Å²	165	35.6 Å²	35.6	62%	0.623	17%	0.172	S	C	*	.	S	Bend	trans	-76.8	-6.7	170.7	63.4	-172.6	152.7	86.1	-2.4	114.1	N181 T208	N181-R377 WeakPolarHBondContact OD1-CB 3.36Å; T208-R377 PolarHBondContact OG1-N 3.06Å
378	F	98.3	Very high	98.4	Very high	73 Å²	73	30.6 Å²	30.6	32%	0.32	15%	0.154	S	C	.	.	S	Bend	trans	-87.3	162.4	-179.7	-56.2	-70.3	0	0	0	111.5	M206 T208 P232 S376 L383	M206-F378 HydrophobicContact CE-CD2 3.58Å; M206-F378 HydrophobicContact CE-CE2 3.64Å; T208-F378 HydrophobicContact CG2-CD2 4.31Å; T208-F378 HydrophobicContact CG2-CE2 3.77Å; P232-F378 HydrophobicContact CB-CE2 3.85Å; P232-F378 HydrophobicContact CB-CZ 3.76Å; P232-F378 HydrophobicContact CG-CE2 3.8Å; P232-F378 HydrophobicContact CG-CZ 3.98Å; S376-F378 PolarHBondContact OG-N 3.42Å; S376-F378 VanDerWaalsContact OG-N 3.17Å; F378-L383 HydrophobicContact CB-CD1 4.18Å
379	H	98.4	Very high	98.4	Very high	79 Å²	79	30.1 Å²	30.1	37%	0.366	15%	0.152	S	C	.	.			trans	-60.7	126.4	173.5	-160.5	-92.2	0	0	0	110.7	T381 P382 E409	H379-T381 PolarHBondContact CE1-OG1 2.75Å; H379-P382 WeakPolarHBondContact O-CD 3.07Å; H379-E409 IonicContact CE1-OE1 2.86Å; H379-E409 PolarHBondContact CE1-OE1 3.12Å; H379-E409 IonicContact CE1-OE2 3.51Å; H379-E409 PolarHBondContact CE1-OE2 2.93Å; H379-E409 IonicContact NE2-OE2 3.48Å; H379-E409 PolarHBondContact NE2-OE2 3.31Å
380	P	98.4	Very high	98.4	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-75	-30.3	-171.1	26.4	-33.1	0	0	0	113.9	L383 L384 V399 P406 L407	P380-L383 PolarHBondContact O-N 2.91Å; P380-L384 PolarHBondContact O-N 2.93Å; P380-V399 HydrophobicContact CB-CG1 3.57Å; P380-P406 HydrophobicContact CG-CB 3.76Å; P380-L407 HydrophobicContact CB-CD2 4.35Å; P380-L407 HydrophobicContact CG-CD2 3.99Å
381	T	98.4	Very high	98.4	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-54	-57	-175	-53.7	0	0	0	0	113.9	H379 L383 L384 L385 E409 K413	H379-T381 PolarHBondContact CE1-OG1 2.75Å; T381-L383 VanDerWaalsContact C-N 3.32Å; T381-L383 PolarHBondContact O-N 2.83Å; T381-L384 PolarHBondContact O-N 3.25Å; T381-L385 HydrophobicContact CG2-CD1 3.88Å; T381-L385 HydrophobicContact CG2-CG 4.39Å; T381-L385 WeakPolarHBondContact O-CG 3.36Å; T381-L385 PolarHBondContact O-N 3.48Å; T381-E409 WeakPolarHBondContact CB-OE1 3.38Å; T381-E409 WeakPolarHBondContact CG2-OE1 3.45Å; T381-E409 PolarHBondContact OG1-OE1 3.44Å; T381-E409 VanDerWaalsContact OG1-OE1 3.1Å; T381-K413 HydrophobicContact CG2-CB 3.95Å; T381-K413 HydrophobicContact CG2-CG 3.86Å
382	P	98.3	Very high	98.3	Very high	72 Å²	72	29.4 Å²	29.4	47%	0.468	15%	0.149	S	C	.	.	H	α-helix	trans	-63.9	-38.1	-178.1	25	-34.9	0	0	0	112.2	H379 L384 L385 S386	H379-P382 WeakPolarHBondContact O-CD 3.07Å; P382-L384 VanDerWaalsContact C-N 3.34Å; P382-L384 PolarHBondContact O-N 3.13Å; P382-L385 PolarHBondContact O-N 3.43Å; P382-S386 PolarHBondContact O-N 3.04Å; P382-S386 VanDerWaalsContact O-N 3.16Å; P382-S386 PolarHBondContact O-OG 3.16Å
383	L	98	Very high	98.3	Very high	18 Å²	18	32.9 Å²	32.9	9%	0.094	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-48.9	175.7	-64.3	175.4	0	0	0	110.5	M206 L259 V374 F378 P380 T381 S386 L387	M206-L383 HydrophobicContact CG-CD1 4.15Å; M206-L383 HydrophobicContact CG-CD2 4.43Å; L259-L383 HydrophobicContact CD1-CD2 4Å; L259-L383 HydrophobicContact CD2-CD2 3.79Å; L259-L383 HydrophobicContact CG-CD2 4.47Å; V374-L383 HydrophobicContact CG1-CB 4.5Å; V374-L383 HydrophobicContact CG1-CD1 3.96Å; F378-L383 HydrophobicContact CB-CD1 4.18Å; P380-L383 PolarHBondContact O-N 2.91Å; T381-L383 VanDerWaalsContact C-N 3.32Å; T381-L383 PolarHBondContact O-N 2.83Å; L383-S386 PolarHBondContact O-N 3.02Å; L383-L387 HydrophobicContact CB-CD1 4.4Å; L383-L387 WeakPolarHBondContact O-CB 3.17Å; L383-L387 WeakPolarHBondContact O-CG 3.47Å; L383-L387 PolarHBondContact O-N 3.18Å
384	L	97.6	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-41.9	-175.5	-166.6	61.6	0	0	0	112.2	L372 P380 T381 P382 S386 L387 L388 F397 V399 C410 L414	L372-L384 HydrophobicContact CD2-CD1 3.68Å; P380-L384 PolarHBondContact O-N 2.93Å; T381-L384 PolarHBondContact O-N 3.25Å; P382-L384 VanDerWaalsContact C-N 3.34Å; P382-L384 PolarHBondContact O-N 3.13Å; L384-S386 VanDerWaalsContact C-N 3.32Å; L384-S386 PolarHBondContact O-N 2.99Å; L384-L387 PolarHBondContact O-N 3.48Å; L384-L388 HydrophobicContact CD1-CD1 4.07Å; L384-L388 HydrophobicContact CD1-CD2 4.16Å; L384-L388 HydrophobicContact CD1-CG 3.85Å; L384-L388 HydrophobicContact CG-CD1 3.85Å; L384-L388 HydrophobicContact CG-CG 4.11Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 VanDerWaalsContact O-CG 3.24Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 2.79Å; L384-L388 VanDerWaalsContact O-N 3.12Å; L384-F397 HydrophobicContact CD1-CD2 3.99Å; L384-F397 HydrophobicContact CD1-CE2 4.49Å; L384-F397 HydrophobicContact CD2-CD2 4.29Å; L384-F397 HydrophobicContact CD2-CE2 4.01Å; L384-V399 HydrophobicContact CD1-CG2 3.5Å; L384-V399 HydrophobicContact CD2-CG2 3.71Å; L384-V399 HydrophobicContact CG-CG2 4.1Å; L384-C410 WeakPolarHBondContact CD2-SG 3.37Å; L384-L414 HydrophobicContact CD2-CD1 3.34Å; L384-L414 HydrophobicContact CD2-CD2 3.96Å; L384-L414 HydrophobicContact CD2-CG 3.9Å; L384-L414 HydrophobicContact CG-CD1 4.44Å; L384-L414 HydrophobicContact CG-CD2 4.24Å
385	L	97.8	Very high	98.3	Very high	52 Å²	52	40.5 Å²	40.5	27%	0.272	21%	0.213	S	C	.	.	H	α-helix	trans	-62.4	-38.5	-179.9	-67.1	174.4	0	0	0	112.3	T381 P382 K413 L414 R417	T381-L385 HydrophobicContact CG2-CD1 3.88Å; T381-L385 HydrophobicContact CG2-CG 4.39Å; T381-L385 WeakPolarHBondContact O-CG 3.36Å; T381-L385 PolarHBondContact O-N 3.48Å; P382-L385 PolarHBondContact O-N 3.43Å; L385-K413 HydrophobicContact CD1-CB 4.26Å; L385-K413 HydrophobicContact CD2-CB 4.35Å; L385-L414 HydrophobicContact CD2-CD2 4.34Å; L385-R417 HydrophobicContact CD2-CB 4.14Å; L385-R417 HydrophobicContact CD2-CG 4.48Å
386	S	97.8	Very high	98.3	Very high	47 Å²	47	40.8 Å²	40.8	33%	0.329	22%	0.215	S	C	.	.	H	α-helix	trans	-79.3	-40.9	177.6	-59	0	0	0	0	112.9	P382 L383 L384	P382-S386 PolarHBondContact O-N 3.04Å; P382-S386 VanDerWaalsContact O-N 3.16Å; P382-S386 PolarHBondContact O-OG 3.16Å; L383-S386 PolarHBondContact O-N 3.02Å; L384-S386 VanDerWaalsContact C-N 3.32Å; L384-S386 PolarHBondContact O-N 2.99Å
387	L	98.4	Very high	98.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-82.1	-21	-169.9	-62.3	-178.1	0	0	0	114	M206 L230 V262 L372 L383 L384 D389 F390	M206-L387 HydrophobicContact CB-CD1 4.07Å; L230-L387 HydrophobicContact CD1-CD1 3.63Å; L230-L387 HydrophobicContact CD1-CD2 3.22Å; L230-L387 HydrophobicContact CD1-CG 4.02Å; V262-L387 HydrophobicContact CG1-CD2 3.93Å; V262-L387 HydrophobicContact CG2-CD2 4.27Å; L372-L387 HydrophobicContact CD1-CB 4.13Å; L372-L387 HydrophobicContact CD1-CD1 4.32Å; L372-L387 HydrophobicContact CD2-CB 3.8Å; L383-L387 HydrophobicContact CB-CD1 4.4Å; L383-L387 WeakPolarHBondContact O-CB 3.17Å; L383-L387 WeakPolarHBondContact O-CG 3.47Å; L383-L387 PolarHBondContact O-N 3.18Å; L384-L387 PolarHBondContact O-N 3.48Å; L387-D389 PolarHBondContact O-N 3.44Å; L387-F390 HydrophobicContact CD2-CD2 4.18Å; L387-F390 HydrophobicContact CD2-CE2 4.04Å; L387-F390 PolarHBondContact O-N 3.16Å
388	L	98.1	Very high	98.4	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64	-23.6	174.1	-78.9	175.8	0	0	0	113.1	L372 L384 F390 V391 F397 L414 V420 T458	L372-L388 HydrophobicContact CD2-CD2 4.03Å; L372-L388 HydrophobicContact CD2-CG 4.28Å; L384-L388 HydrophobicContact CD1-CD1 4.07Å; L384-L388 HydrophobicContact CD1-CD2 4.16Å; L384-L388 HydrophobicContact CD1-CG 3.85Å; L384-L388 HydrophobicContact CG-CD1 3.85Å; L384-L388 HydrophobicContact CG-CG 4.11Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 VanDerWaalsContact O-CG 3.24Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 2.79Å; L384-L388 VanDerWaalsContact O-N 3.12Å; L388-F390 PolarHBondContact O-N 3.35Å; L388-V391 HydrophobicContact CD2-CG2 4.44Å; L388-V391 WeakPolarHBondContact O-CB 3.36Å; L388-V391 PolarHBondContact O-N 2.97Å; L388-F397 HydrophobicContact CD2-CB 4Å; L388-F397 HydrophobicContact CD2-CD1 3.82Å; L388-F397 HydrophobicContact CD2-CE1 4.44Å; L388-F397 HydrophobicContact CD2-CG 3.87Å; L388-L414 HydrophobicContact CD1-CD2 3.44Å; L388-L414 VanDerWaalsContact CD1-CD2 3.44Å; L388-V420 HydrophobicContact CD1-CG1 4.07Å; L388-T458 HydrophobicContact CD2-CG2 3.91Å
389	D	98	Very high	98.4	Very high	55 Å²	55	29 Å²	29	29%	0.294	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-64.6	-17.5	178.1	-82.6	18.2	0	0	0	113.8	L266 R367 L387 R417	L266-D389 HydrophobicContact CD2-CB 3.61Å; R367-D389 WeakPolarHBondContact CD-O 3.21Å; R367-D389 VanDerWaalsContact CG-O 3.3Å; R367-D389 WeakPolarHBondContact CG-O 3.46Å; R367-D389 PolarHBondContact NH1-O 3.16Å; R367-D389 IonicContact NH1-OD2 2.7Å; L387-D389 PolarHBondContact O-N 3.44Å; D389-R417 IonicContact OD1-CZ 3.56Å; D389-R417 IonicContact OD1-NE 2.86Å; D389-R417 IonicContact OD1-NH2 2.71Å; D389-R417 PolarHBondContact OD1-NH2 2.97Å
390	F	98.6	Very high	98.4	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.013	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-91.8	-4.9	175.7	-58.3	-54.6	0	0	0	113.4	I204 V262 L265 L266 L364 R367 N368 A369 L387 L388	I204-F390 HydrophobicContact CD1-CB 3.45Å; I204-F390 VanDerWaalsContact CD1-CB 3.45Å; I204-F390 HydrophobicContact CD1-CG 4.39Å; V262-F390 HydrophobicContact CG1-CE2 3.89Å; V262-F390 HydrophobicContact CG1-CZ 4.24Å; L265-F390 HydrophobicContact CD2-CE1 4.17Å; L265-F390 HydrophobicContact CD2-CZ 4Å; L265-F390 HydrophobicContact CG-CE1 4.44Å; L265-F390 HydrophobicContact CG-CZ 4.4Å; L266-F390 HydrophobicContact CD2-CD1 4.26Å; L266-F390 HydrophobicContact CD2-CE1 3.58Å; L266-F390 HydrophobicContact CD2-CE2 4.1Å; L266-F390 HydrophobicContact CD2-CZ 3.49Å; L266-F390 VanDerWaalsContact CD2-CZ 3.49Å; L266-F390 HydrophobicContact CG-CE1 4.28Å; L266-F390 HydrophobicContact CG-CE2 4.41Å; L266-F390 HydrophobicContact CG-CZ 3.77Å; L364-F390 HydrophobicContact CB-CD1 4.07Å; L364-F390 HydrophobicContact CB-CE1 4.14Å; L364-F390 HydrophobicContact CB-CG 4.41Å; L364-F390 HydrophobicContact CD2-CB 4.23Å; L364-F390 HydrophobicContact CD2-CD2 4.03Å; L364-F390 HydrophobicContact CD2-CG 4.03Å; L364-F390 WeakPolarHBondContact O-CD1 3.35Å; R367-F390 CarbonylContact C-O 2.98Å; R367-F390 VanDerWaalsContact C-O 3.25Å; R367-F390 WeakPolarHBondContact CA-O 3.43Å; R367-F390 HydrophobicContact CG-CD1 4.45Å; N368-F390 PolarHBondContact N-O 3.12Å; A369-F390 WeakPolarHBondContact CB-O 3.41Å; A369-F390 PolarHBondContact N-O 3.22Å; A369-F390 VanDerWaalsContact N-O 3.12Å; L387-F390 HydrophobicContact CD2-CD2 4.18Å; L387-F390 HydrophobicContact CD2-CE2 4.04Å; L387-F390 PolarHBondContact O-N 3.16Å; L388-F390 PolarHBondContact O-N 3.35Å
391	V	98.8	Very high	98.4	Very high	12 Å²	12	25.8 Å²	25.8	7%	0.073	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-98.9	133.4	-173.4	-174	0	0	0	0	110.3	L372 L388 R395 T458	L372-V391 HydrophobicContact CB-CG2 3.8Å; L372-V391 HydrophobicContact CD2-CG2 4.49Å; L388-V391 HydrophobicContact CD2-CG2 4.44Å; L388-V391 WeakPolarHBondContact O-CB 3.36Å; L388-V391 PolarHBondContact O-N 2.97Å; V391-R395 HydrophobicContact CG1-CB 3.74Å; V391-R395 HydrophobicContact CG1-CG 4.48Å; V391-T458 HydrophobicContact CB-CG2 4.18Å; V391-T458 HydrophobicContact CG1-CG2 3.84Å
392	A	98.7	Very high	98.4	Very high	13 Å²	13	28.3 Å²	28.3	11%	0.107	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-64.5	157	176.7	0	0	0	0	0	111.4	A369 R395 T458	A369-A392 PolarHBondContact O-N 3.11Å; A392-R395 HydrophobicContact CB-CG 3.93Å; A392-R395 WeakPolarHBondContact O-CB 3.45Å; A392-R395 WeakPolarHBondContact O-CG 3.27Å; A392-T458 PolarHBondContact O-OG1 3.24Å
393	P	98.6	Very high	98.4	Very high	74 Å²	74	31.3 Å²	31.3	48%	0.481	17%	0.167	S	C	.	.	S	Bend	trans	-59.2	154.1	168.5	-23.8	34.6	0	0	0	113	R395	P393-R395 VanDerWaalsContact C-N 3.33Å; P393-R395 PolarHBondContact O-N 3.05Å; P393-R395 PolarHBondContact O-NH1 3.23Å
394	S	98.6	Very high	98.4	Very high	82 Å²	82	34.1 Å²	34.1	57%	0.573	18%	0.178	S	C	*	.	S	Bend	trans	58.4	40.9	-179.2	-173.2	0	0	0	0	113.1	T458	S394-T458 VanDerWaalsContact CA-O 3.22Å; S394-T458 WeakPolarHBondContact CA-O 3.49Å; S394-T458 PolarHBondContact N-O 3.08Å; S394-T458 PolarHBondContact N-OG1 3.34Å
395	R	98.8	Very high	98.4	Very high	82 Å²	82	40.1 Å²	40.1	31%	0.309	21%	0.206	S	C	.	.			trans	-125.3	144.1	177.3	-64.6	-59.5	-178.5	-84.3	-3	111.5	D370 V391 A392 P393 F457 T458	D370-R395 WeakPolarHBondContact O-CB 3.3Å; D370-R395 WeakPolarHBondContact O-CD 3.36Å; D370-R395 IonicContact OD1-CZ 2.87Å; D370-R395 IonicContact OD1-NE 3.38Å; D370-R395 PolarHBondContact OD1-NE 3.35Å; D370-R395 IonicContact OD1-NH2 3.83Å; V391-R395 HydrophobicContact CG1-CB 3.74Å; V391-R395 HydrophobicContact CG1-CG 4.48Å; A392-R395 HydrophobicContact CB-CG 3.93Å; A392-R395 WeakPolarHBondContact O-CB 3.45Å; A392-R395 WeakPolarHBondContact O-CG 3.27Å; P393-R395 VanDerWaalsContact C-N 3.33Å; P393-R395 PolarHBondContact O-N 3.05Å; P393-R395 PolarHBondContact O-NH1 3.23Å; R395-F457 CarbonylContact O-C 3.57Å; R395-F457 WeakPolarHBondContact O-CA 3.4Å; R395-T458 PolarHBondContact N-OG1 3.14Å; R395-T458 PolarHBondContact O-N 3.3Å; R395-T458 PolarHBondContact O-OG1 3.46Å
396	P	98.9	Very high	98.4	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	148.1	-179.5	31.3	-35.4	0	0	0	111.7	L194 G195 N196 G371 L372 G456 F457	L194-P396 VanDerWaalsContact O-CB 3.26Å; L194-P396 WeakPolarHBondContact O-CB 3.27Å; G195-P396 WeakPolarHBondContact O-CG 3.36Å; N196-P396 HydrophobicContact CB-CG 4.01Å; G371-P396 WeakPolarHBondContact CA-O 3.29Å; L372-P396 PolarHBondContact N-O 2.86Å; P396-G456 WeakPolarHBondContact CA-O 3.35Å; P396-F457 HydrophobicContact CB-CD1 4.34Å; P396-F457 HydrophobicContact CB-CE1 3.97Å; P396-F457 HydrophobicContact CB-CZ 4.22Å; P396-F457 HydrophobicContact CG-CE1 4.43Å
397	F	98.9	Very high	98.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.3	163	66	-89.7	0	0	0	110.2	L372 L384 L388 V399 L414 V420 L423 S455 G456 T458	L372-F397 HydrophobicContact CB-CB 4.07Å; L372-F397 CarbonylContact O-C 3.54Å; L372-F397 VanDerWaalsContact O-CA 3.27Å; L372-F397 WeakPolarHBondContact O-CA 3.43Å; L384-F397 HydrophobicContact CD1-CD2 3.99Å; L384-F397 HydrophobicContact CD1-CE2 4.49Å; L384-F397 HydrophobicContact CD2-CD2 4.29Å; L384-F397 HydrophobicContact CD2-CE2 4.01Å; L388-F397 HydrophobicContact CD2-CB 4Å; L388-F397 HydrophobicContact CD2-CD1 3.82Å; L388-F397 HydrophobicContact CD2-CE1 4.44Å; L388-F397 HydrophobicContact CD2-CG 3.87Å; F397-V399 HydrophobicContact CD2-CG2 4.42Å; F397-L414 HydrophobicContact CE2-CD1 3.93Å; F397-L414 HydrophobicContact CZ-CD1 3.92Å; F397-V420 HydrophobicContact CE1-CB 4.07Å; F397-V420 HydrophobicContact CE1-CG1 3.59Å; F397-V420 HydrophobicContact CZ-CB 4.3Å; F397-V420 HydrophobicContact CZ-CG1 3.96Å; F397-L423 HydrophobicContact CE2-CD2 4.37Å; F397-L423 HydrophobicContact CZ-CD2 3.6Å; F397-S455 WeakPolarHBondContact O-CA 3.33Å; F397-G456 WeakPolarHBondContact CD1-O 3.47Å; F397-G456 VanDerWaalsContact CE1-C 3.45Å; F397-G456 PolarHBondContact N-O 3Å; F397-G456 PolarHBondContact O-N 2.98Å; F397-T458 HydrophobicContact CD1-CG2 4.29Å
398	V	98.9	Very high	98.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.4	176.2	-169.9	0	0	0	0	110.2	M191 L194 L372 I373 V374 L453	M191-V398 HydrophobicContact CB-CG1 4.22Å; M191-V398 HydrophobicContact CG-CG1 3.89Å; L194-V398 HydrophobicContact CB-CG2 3.63Å; L372-V398 PolarHBondContact O-N 2.7Å; I373-V398 WeakPolarHBondContact CA-O 3.32Å; I373-V398 HydrophobicContact CD1-CB 3.83Å; I373-V398 HydrophobicContact CD1-CG2 4.05Å; V374-V398 PolarHBondContact N-O 2.96Å; V398-L453 HydrophobicContact CG1-CD2 4.14Å
399	V	98.9	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.7	177.9	-176.6	0	0	0	0	109.4	V374 P380 L384 F397 L407 L453 L454	V374-V399 HydrophobicContact CB-CB 4.48Å; V374-V399 HydrophobicContact CB-CG1 4.18Å; V374-V399 HydrophobicContact CB-CG2 4.17Å; V374-V399 HydrophobicContact CG1-CG1 4.36Å; V374-V399 HydrophobicContact CG2-CG2 4.39Å; V374-V399 WeakPolarHBondContact O-CA 3.33Å; P380-V399 HydrophobicContact CB-CG1 3.57Å; L384-V399 HydrophobicContact CD1-CG2 3.5Å; L384-V399 HydrophobicContact CD2-CG2 3.71Å; L384-V399 HydrophobicContact CG-CG2 4.1Å; F397-V399 HydrophobicContact CD2-CG2 4.42Å; V399-L407 HydrophobicContact CB-CD2 4.45Å; V399-L407 HydrophobicContact CG1-CD2 3.88Å; V399-L453 WeakPolarHBondContact O-CA 3.32Å; V399-L454 HydrophobicContact CB-CB 4.41Å; V399-L454 PolarHBondContact N-O 3.44Å; V399-L454 PolarHBondContact O-N 2.94Å
400	Y	98.9	Very high	98.5	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.9	171.4	171.2	-93.1	0	0	0	110.7	N181 H182 M183 T187 M191 V374 A375 Y452 L453	N181-Y400 HydrophobicContact CB-CE1 3.93Å; N181-Y400 PolarHBondContact O-OH 2.83Å; H182-Y400 PolarHBondContact O-OH 3.49Å; M183-Y400 VanDerWaalsContact CA-OH 3.27Å; M183-Y400 WeakPolarHBondContact CA-OH 3.18Å; M183-Y400 HydrophobicContact CB-CD2 4.41Å; M183-Y400 HydrophobicContact CB-CE1 4.04Å; M183-Y400 HydrophobicContact CB-CE2 3.79Å; M183-Y400 HydrophobicContact CG-CD2 3.99Å; M183-Y400 HydrophobicContact CG-CE2 3.73Å; M183-Y400 PolarHBondContact N-OH 3.36Å; M183-Y400 VanDerWaalsContact N-OH 3.16Å; M183-Y400 HydrophobicContact SD-CD2 4.43Å; M183-Y400 HydrophobicContact SD-CG 4.48Å; T187-Y400 HydrophobicContact CG2-CD2 3.77Å; T187-Y400 HydrophobicContact CG2-CE2 3.9Å; M191-Y400 HydrophobicContact SD-CD2 4.33Å; M191-Y400 HydrophobicContact SD-CG 4.38Å; V374-Y400 PolarHBondContact O-N 3.29Å; A375-Y400 HydrophobicContact CB-CD1 4.16Å; A375-Y400 HydrophobicContact CB-CG 4.34Å; Y400-Y452 WeakPolarHBondContact CA-O 3.44Å; Y400-L453 HydrophobicContact CD2-CD2 3.95Å; Y400-L453 HydrophobicContact CG-CD2 4.48Å
401	C	98.6	Very high	98.5	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.5	163.9	-165	0	0	0	0	110.3	Y403 L407 Y452	C401-Y403 WeakPolarHBondContact CB-O 3.31Å; C401-Y403 PolarHBondContact O-N 2.98Å; C401-Y403 PolarHBondContact SG-O 3.49Å; C401-Y403 VanDerWaalsContact SG-O 3.39Å; C401-L407 HydrophobicContact CB-CD1 3.88Å; C401-L407 HydrophobicContact CB-CD2 3.76Å; C401-L407 HydrophobicContact CB-CG 3.65Å; C401-Y452 PolarHBondContact N-O 3.25Å; C401-Y452 PolarHBondContact O-N 2.95Å
402	Q	97.7	Very high	98.5	Very high	58 Å²	58	47.4 Å²	47.4	27%	0.271	24%	0.238	S	C	.	.	S	Bend	trans	-64.1	-30.5	172.9	-177	175.5	-8	0	0	111.6	H182	H182-Q402 HydrophobicContact CB-CG 4.46Å; H182-Q402 PolarHBondContact ND1-NE2 3.05Å
403	Y	97.5	Very high	98.5	Very high	135 Å²	135	50.4 Å²	50.4	53%	0.529	25%	0.249	S	C	.	.	S	Bend	trans	-112.5	151.9	-175.6	-51.1	-72.9	0	0	0	110.9	C401	C401-Y403 WeakPolarHBondContact CB-O 3.31Å; C401-Y403 PolarHBondContact O-N 2.98Å; C401-Y403 PolarHBondContact SG-O 3.49Å; C401-Y403 VanDerWaalsContact SG-O 3.39Å
404	K	97.9	Very high	98.4	Very high	77 Å²	77	46.9 Å²	46.9	34%	0.335	23%	0.226	S	C	.	.	S	Bend	trans	-83.2	-37.8	-174.4	-176.1	-178.7	-65	174.9	0	111.6	L407 L408 L425 Y452	K404-L407 WeakPolarHBondContact O-CB 3.48Å; K404-L407 PolarHBondContact O-N 3.2Å; K404-L408 HydrophobicContact CG-CD1 4.32Å; K404-L408 HydrophobicContact CG-CG 4.38Å; K404-L408 PolarHBondContact O-N 3.18Å; K404-L408 VanDerWaalsContact O-N 3.13Å; K404-L425 HydrophobicContact CG-CD2 4.24Å; K404-Y452 HydrophobicContact CB-CD1 4.25Å; K404-Y452 HydrophobicContact CB-CD2 4.05Å; K404-Y452 HydrophobicContact CB-CE1 4.13Å; K404-Y452 HydrophobicContact CB-CE2 3.93Å; K404-Y452 HydrophobicContact CB-CG 4.21Å; K404-Y452 HydrophobicContact CD-CE1 4.31Å; K404-Y452 HydrophobicContact CG-CD1 4.33Å; K404-Y452 HydrophobicContact CG-CE1 4.34Å
405	E	98.2	Very high	98.3	Very high	126 Å²	126	51 Å²	51	59%	0.589	23%	0.229	S	C	*	.	H	α-helix	trans	-58.6	-45.4	-171.8	-57.8	72.1	-163.1	0	0	112.3	L407 L408 E409	E405-L407 PolarHBondContact O-N 2.99Å; E405-L408 WeakPolarHBondContact O-CB 3.42Å; E405-L408 PolarHBondContact O-N 2.85Å; E405-L408 VanDerWaalsContact O-N 3.11Å; E405-E409 PolarHBondContact O-N 3.41Å
406	P	98.6	Very high	98.3	Very high	23 Å²	23	53 Å²	53	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-30	175.7	-24.4	36.8	0	0	0	113.3	P380 C410	P380-P406 HydrophobicContact CG-CB 3.76Å; P406-C410 VanDerWaalsContact O-CB 3.27Å; P406-C410 WeakPolarHBondContact O-CB 3.43Å; P406-C410 PolarHBondContact O-N 3.2Å
407	L	98.5	Very high	98.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-78.1	-27.1	177.8	-61.6	-176.7	0	0	0	112.6	P380 V399 C401 K404 E405 Y411 L425 L454	P380-L407 HydrophobicContact CB-CD2 4.35Å; P380-L407 HydrophobicContact CG-CD2 3.99Å; V399-L407 HydrophobicContact CB-CD2 4.45Å; V399-L407 HydrophobicContact CG1-CD2 3.88Å; C401-L407 HydrophobicContact CB-CD1 3.88Å; C401-L407 HydrophobicContact CB-CD2 3.76Å; C401-L407 HydrophobicContact CB-CG 3.65Å; K404-L407 WeakPolarHBondContact O-CB 3.48Å; K404-L407 PolarHBondContact O-N 3.2Å; E405-L407 PolarHBondContact O-N 2.99Å; L407-Y411 VanDerWaalsContact O-CB 3.27Å; L407-Y411 WeakPolarHBondContact O-CB 3.42Å; L407-Y411 PolarHBondContact O-N 3.31Å; L407-L425 HydrophobicContact CB-CD1 3.75Å; L407-L425 HydrophobicContact CD1-CD1 3.73Å; L407-L425 HydrophobicContact CG-CD1 4.42Å; L407-L454 HydrophobicContact CB-CB 4.36Å; L407-L454 HydrophobicContact CD1-CB 4.22Å; L407-L454 HydrophobicContact CD2-CB 3.96Å; L407-L454 HydrophobicContact CG-CB 4.42Å
408	L	98.5	Very high	98	Very high	87 Å²	87	57.4 Å²	57.4	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-67.9	-42.7	172.3	-68.1	171.5	0	0	0	111.1	K404 E405 Y411 T412 L425	K404-L408 HydrophobicContact CG-CD1 4.32Å; K404-L408 HydrophobicContact CG-CG 4.38Å; K404-L408 PolarHBondContact O-N 3.18Å; K404-L408 VanDerWaalsContact O-N 3.13Å; E405-L408 WeakPolarHBondContact O-CB 3.42Å; E405-L408 PolarHBondContact O-N 2.85Å; E405-L408 VanDerWaalsContact O-N 3.11Å; L408-Y411 PolarHBondContact O-N 3.04Å; L408-T412 PolarHBondContact O-N 3.38Å; L408-T412 VanDerWaalsContact O-N 3.16Å; L408-T412 PolarHBondContact O-OG1 3Å; L408-L425 HydrophobicContact CD2-CD2 3.53Å; L408-L425 HydrophobicContact CG-CD2 4.18Å
409	E	98.4	Very high	97.9	Very high	85 Å²	85	58 Å²	58	40%	0.397	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-50.3	171.9	-172.3	-157.3	126.2	0	0	110.6	H379 T381 E405 Y411 T412 K413	H379-E409 IonicContact CE1-OE1 2.86Å; H379-E409 PolarHBondContact CE1-OE1 3.12Å; H379-E409 IonicContact CE1-OE2 3.51Å; H379-E409 PolarHBondContact CE1-OE2 2.93Å; H379-E409 IonicContact NE2-OE2 3.48Å; H379-E409 PolarHBondContact NE2-OE2 3.31Å; T381-E409 WeakPolarHBondContact CB-OE1 3.38Å; T381-E409 WeakPolarHBondContact CG2-OE1 3.45Å; T381-E409 PolarHBondContact OG1-OE1 3.44Å; T381-E409 VanDerWaalsContact OG1-OE1 3.1Å; E405-E409 PolarHBondContact O-N 3.41Å; E409-Y411 VanDerWaalsContact C-N 3.3Å; E409-Y411 PolarHBondContact O-N 3.33Å; E409-T412 WeakPolarHBondContact O-CB 3.46Å; E409-T412 PolarHBondContact O-N 2.91Å; E409-K413 HydrophobicContact CG-CG 4.48Å; E409-K413 PolarHBondContact O-N 2.79Å
410	C	98.3	Very high	97.9	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-41.3	179.5	-170	0	0	0	0	112.3	L384 P406 T412 K413 L414 L454	L384-C410 WeakPolarHBondContact CD2-SG 3.37Å; P406-C410 VanDerWaalsContact O-CB 3.27Å; P406-C410 WeakPolarHBondContact O-CB 3.43Å; P406-C410 PolarHBondContact O-N 3.2Å; C410-T412 VanDerWaalsContact C-N 3.31Å; C410-T412 PolarHBondContact O-N 2.91Å; C410-K413 PolarHBondContact O-N 3.32Å; C410-L414 WeakPolarHBondContact O-CB 3.43Å; C410-L414 WeakPolarHBondContact O-CG 3.42Å; C410-L414 PolarHBondContact O-N 3.12Å; C410-L454 HydrophobicContact CB-CD2 3.92Å
411	Y	98.6	Very high	97.9	Very high	62 Å²	62	63.2 Å²	63.2	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-44.5	174.1	-177	-76.6	0	0	0	111.7	L407 L408 E409 R415 L423 L454	L407-Y411 VanDerWaalsContact O-CB 3.27Å; L407-Y411 WeakPolarHBondContact O-CB 3.42Å; L407-Y411 PolarHBondContact O-N 3.31Å; L408-Y411 PolarHBondContact O-N 3.04Å; E409-Y411 VanDerWaalsContact C-N 3.3Å; E409-Y411 PolarHBondContact O-N 3.33Å; Y411-R415 PolarHBondContact O-N 2.96Å; Y411-R415 VanDerWaalsContact O-N 3.12Å; Y411-R415 PolarHBondContact OH-NH2 3.34Å; Y411-L423 HydrophobicContact CD2-CB 3.92Å; Y411-L423 HydrophobicContact CD2-CD1 4.23Å; Y411-L423 HydrophobicContact CE2-CB 3.38Å; Y411-L423 HydrophobicContact CE2-CD1 4.12Å; Y411-L423 HydrophobicContact CE2-CG 4.39Å; Y411-L423 HydrophobicContact CG-CD1 4.5Å; Y411-L454 HydrophobicContact CD2-CD1 3.83Å
412	T	98.4	Very high	97.9	Very high	71 Å²	71	68.5 Å²	68.5	44%	0.436	33%	0.327	S	S	.	.	H	α-helix	trans	-68.4	-46.1	-179.2	-55.2	0	0	0	0	110.7	L408 E409 C410 L414 R415 E416	L408-T412 PolarHBondContact O-N 3.38Å; L408-T412 VanDerWaalsContact O-N 3.16Å; L408-T412 PolarHBondContact O-OG1 3Å; E409-T412 WeakPolarHBondContact O-CB 3.46Å; E409-T412 PolarHBondContact O-N 2.91Å; C410-T412 VanDerWaalsContact C-N 3.31Å; C410-T412 PolarHBondContact O-N 2.91Å; T412-L414 VanDerWaalsContact C-N 3.33Å; T412-L414 PolarHBondContact O-N 3.12Å; T412-R415 WeakPolarHBondContact O-CB 3.47Å; T412-R415 PolarHBondContact O-N 3.31Å; T412-R415 VanDerWaalsContact O-N 3.1Å; T412-E416 WeakPolarHBondContact O-CG 3.49Å; T412-E416 PolarHBondContact O-N 3.22Å
413	K	98.3	Very high	97.9	Very high	76 Å²	76	67.2 Å²	67.2	33%	0.33	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-34.3	177.3	-67.4	-47.4	-171.1	-169.5	0	113.7	T381 L385 E409 C410 E416 R417	T381-K413 HydrophobicContact CG2-CB 3.95Å; T381-K413 HydrophobicContact CG2-CG 3.86Å; L385-K413 HydrophobicContact CD1-CB 4.26Å; L385-K413 HydrophobicContact CD2-CB 4.35Å; E409-K413 HydrophobicContact CG-CG 4.48Å; E409-K413 PolarHBondContact O-N 2.79Å; C410-K413 PolarHBondContact O-N 3.32Å; K413-E416 WeakPolarHBondContact CD-OE2 3.35Å; K413-E416 VanDerWaalsContact NZ-CD 3.26Å; K413-E416 IonicContact NZ-OE1 2.75Å; K413-E416 PolarHBondContact NZ-OE1 3.39Å; K413-E416 IonicContact NZ-OE2 3.81Å; K413-E416 PolarHBondContact NZ-OE2 2.86Å; K413-E416 PolarHBondContact O-N 3.43Å; K413-R417 WeakPolarHBondContact O-CB 3.3Å; K413-R417 PolarHBondContact O-N 2.9Å
414	L	97.7	Very high	98	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-37.7	171.8	-80.3	178.9	0	0	0	112.7	L384 L385 L388 F397 C410 T412 R417 G418 V420 L423 L454	L384-L414 HydrophobicContact CD2-CD1 3.34Å; L384-L414 HydrophobicContact CD2-CD2 3.96Å; L384-L414 HydrophobicContact CD2-CG 3.9Å; L384-L414 HydrophobicContact CG-CD1 4.44Å; L384-L414 HydrophobicContact CG-CD2 4.24Å; L385-L414 HydrophobicContact CD2-CD2 4.34Å; L388-L414 HydrophobicContact CD1-CD2 3.44Å; L388-L414 VanDerWaalsContact CD1-CD2 3.44Å; F397-L414 HydrophobicContact CE2-CD1 3.93Å; F397-L414 HydrophobicContact CZ-CD1 3.92Å; C410-L414 WeakPolarHBondContact O-CB 3.43Å; C410-L414 WeakPolarHBondContact O-CG 3.42Å; C410-L414 PolarHBondContact O-N 3.12Å; T412-L414 VanDerWaalsContact C-N 3.33Å; T412-L414 PolarHBondContact O-N 3.12Å; L414-R417 PolarHBondContact O-N 3.46Å; L414-G418 PolarHBondContact O-N 3.33Å; L414-V420 HydrophobicContact CB-CG2 4.07Å; L414-V420 HydrophobicContact CD2-CG1 4.32Å; L414-L423 HydrophobicContact CB-CD1 4.14Å; L414-L423 HydrophobicContact CD1-CD2 3.92Å; L414-L454 HydrophobicContact CD1-CD2 4.08Å
415	R	96.9	Very high	98	Very high	169 Å²	169	67 Å²	67	64%	0.638	32%	0.322	S	S	*	.	H	α-helix	trans	-66.6	-38.8	175.2	-173.3	-177	-72.7	-129.3	0.8	111.6	Y411 T412	Y411-R415 PolarHBondContact O-N 2.96Å; Y411-R415 VanDerWaalsContact O-N 3.12Å; Y411-R415 PolarHBondContact OH-NH2 3.34Å; T412-R415 WeakPolarHBondContact O-CB 3.47Å; T412-R415 PolarHBondContact O-N 3.31Å; T412-R415 VanDerWaalsContact O-N 3.1Å
416	E	96.9	Very high	98	Very high	124 Å²	124	62.1 Å²	62.1	58%	0.579	30%	0.302	S	S	*	.	H	α-helix	trans	-65.1	-46.8	173.4	-69.2	171.5	-160	0	0	111.9	T412 K413 G418	T412-E416 WeakPolarHBondContact O-CG 3.49Å; T412-E416 PolarHBondContact O-N 3.22Å; K413-E416 WeakPolarHBondContact CD-OE2 3.35Å; K413-E416 VanDerWaalsContact NZ-CD 3.26Å; K413-E416 IonicContact NZ-OE1 2.75Å; K413-E416 PolarHBondContact NZ-OE1 3.39Å; K413-E416 IonicContact NZ-OE2 3.81Å; K413-E416 PolarHBondContact NZ-OE2 2.86Å; K413-E416 PolarHBondContact O-N 3.43Å; E416-G418 VanDerWaalsContact C-N 3.35Å; E416-G418 PolarHBondContact O-N 2.83Å
417	R	96.4	Very high	98	Very high	72 Å²	72	63.8 Å²	63.8	27%	0.272	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-38.4	179.1	179.3	-178.2	169.8	-74.8	4.6	112.1	L385 D389 K413 L414 M461	L385-R417 HydrophobicContact CD2-CB 4.14Å; L385-R417 HydrophobicContact CD2-CG 4.48Å; D389-R417 IonicContact OD1-CZ 3.56Å; D389-R417 IonicContact OD1-NE 2.86Å; D389-R417 IonicContact OD1-NH2 2.71Å; D389-R417 PolarHBondContact OD1-NH2 2.97Å; K413-R417 WeakPolarHBondContact O-CB 3.3Å; K413-R417 PolarHBondContact O-N 2.9Å; L414-R417 PolarHBondContact O-N 3.46Å; R417-M461 VanDerWaalsContact O-CE 3.29Å; R417-M461 WeakPolarHBondContact O-CE 3.3Å
418	G	96.1	Very high	97.8	Very high	25 Å²	25	65.6 Å²	65.6	26%	0.258	32%	0.318	S	S	.	.			trans	75	-170.9	-169.8	0	0	0	0	0	113.2	L414 E416 V420	L414-G418 PolarHBondContact O-N 3.33Å; E416-G418 VanDerWaalsContact C-N 3.35Å; E416-G418 PolarHBondContact O-N 2.83Å; G418-V420 VanDerWaalsContact C-N 3.31Å; G418-V420 PolarHBondContact O-N 2.67Å
419	G	97.1	Very high	97.6	Very high	13 Å²	13	69 Å²	69	13%	0.134	33%	0.325	C	S	.	.			trans	77	14.9	-179.8	0	0	0	0	0	114.7	T458 V459 M461	G419-T458 CarbonylContact O-C 3.59Å; G419-T458 WeakPolarHBondContact O-CA 3.47Å; G419-V459 VanDerWaalsContact C-CG2 3.44Å; G419-V459 PolarHBondContact O-N 3.48Å; G419-M461 WeakPolarHBondContact CA-SD 3.46Å; G419-M461 PolarHBondContact N-SD 2.84Å; G419-M461 VanDerWaalsContact N-SD 3.35Å
420	V	98.4	Very high	97.4	Very high	24 Å²	24	68 Å²	68	15%	0.145	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.4	177.2	-62.3	0	0	0	0	111.4	L388 F397 L414 G418 L423 F457	L388-V420 HydrophobicContact CD1-CG1 4.07Å; F397-V420 HydrophobicContact CE1-CB 4.07Å; F397-V420 HydrophobicContact CE1-CG1 3.59Å; F397-V420 HydrophobicContact CZ-CB 4.3Å; F397-V420 HydrophobicContact CZ-CG1 3.96Å; L414-V420 HydrophobicContact CB-CG2 4.07Å; L414-V420 HydrophobicContact CD2-CG1 4.32Å; G418-V420 VanDerWaalsContact C-N 3.31Å; G418-V420 PolarHBondContact O-N 2.67Å; V420-L423 HydrophobicContact CB-CD2 4.23Å; V420-L423 HydrophobicContact CG2-CD1 4Å; V420-L423 HydrophobicContact CG2-CD2 3.89Å; V420-L423 HydrophobicContact CG2-CG 4.09Å; V420-F457 CarbonylContact C-O 3.54Å; V420-F457 VanDerWaalsContact CA-O 3.23Å; V420-F457 WeakPolarHBondContact CA-O 3.33Å
421	I	98.6	Very high	97.2	Very high	88 Å²	88	73 Å²	73	45%	0.451	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	164.4	176.9	-159.8	167.4	0	0	0	110.6	L423 F457 V459	I421-L423 VanDerWaalsContact C-N 3.26Å; I421-L423 PolarHBondContact O-N 2.7Å; I421-F457 HydrophobicContact CG2-CB 4.1Å; I421-F457 PolarHBondContact N-O 3.4Å; I421-F457 PolarHBondContact O-N 2.86Å; I421-V459 HydrophobicContact CB-CG1 3.98Å; I421-V459 HydrophobicContact CG2-CG1 3.54Å
422	N	98.4	Very high	96.9	Very high	122 Å²	122	73 Å²	73	65%	0.652	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.3	40.1	178.4	-65.1	-12.5	0	0	0	113.1	R424	N422-R424 PolarHBondContact O-N 2.93Å
423	L	98.6	Very high	96.8	Very high	32 Å²	32	76 Å²	76	17%	0.168	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	122.4	175.8	-67.5	-179.5	0	0	0	110.6	F397 Y411 L414 V420 I421 S455	F397-L423 HydrophobicContact CE2-CD2 4.37Å; F397-L423 HydrophobicContact CZ-CD2 3.6Å; Y411-L423 HydrophobicContact CD2-CB 3.92Å; Y411-L423 HydrophobicContact CD2-CD1 4.23Å; Y411-L423 HydrophobicContact CE2-CB 3.38Å; Y411-L423 HydrophobicContact CE2-CD1 4.12Å; Y411-L423 HydrophobicContact CE2-CG 4.39Å; Y411-L423 HydrophobicContact CG-CD1 4.5Å; L414-L423 HydrophobicContact CB-CD1 4.14Å; L414-L423 HydrophobicContact CD1-CD2 3.92Å; V420-L423 HydrophobicContact CB-CD2 4.23Å; V420-L423 HydrophobicContact CG2-CD1 4Å; V420-L423 HydrophobicContact CG2-CD2 3.89Å; V420-L423 HydrophobicContact CG2-CG 4.09Å; I421-L423 VanDerWaalsContact C-N 3.26Å; I421-L423 PolarHBondContact O-N 2.7Å; L423-S455 CarbonylContact C-O 3.57Å; L423-S455 WeakPolarHBondContact CA-O 3.24Å
424	R	98.8	Very high	96.6	Very high	153 Å²	153	74.5 Å²	74.5	58%	0.577	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.8	-179.3	175.3	179.3	174.1	139.3	1.4	109.9	N422 L454 S455	N422-R424 PolarHBondContact O-N 2.93Å; R424-L454 WeakPolarHBondContact O-CA 3.34Å; R424-S455 PolarHBondContact N-O 3.31Å; R424-S455 PolarHBondContact O-N 3.25Å; R424-S455 PolarHBondContact O-OG 3.41Å
425	L	98.6	Very high	96.6	Very high	55 Å²	55	80.1 Å²	80.1	29%	0.288	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.7	162.9	-179.1	60.5	0	0	0	108.4	K404 L407 L408 L453	K404-L425 HydrophobicContact CG-CD2 4.24Å; L407-L425 HydrophobicContact CB-CD1 3.75Å; L407-L425 HydrophobicContact CD1-CD1 3.73Å; L407-L425 HydrophobicContact CG-CD1 4.42Å; L408-L425 HydrophobicContact CD2-CD2 3.53Å; L408-L425 HydrophobicContact CG-CD2 4.18Å; L425-L453 CarbonylContact C-O 3.59Å; L425-L453 WeakPolarHBondContact CA-O 3.42Å
426	S	98.1	Very high	96.4	Very high	22 Å²	22	75.2 Å²	75.2	15%	0.154	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.1	-175.5	57.8	0	0	0	0	113	L453	S426-L453 PolarHBondContact N-O 3.46Å; S426-L453 PolarHBondContact O-N 2.99Å
427	E	97.4	Very high	96.4	Very high	59 Å²	59	74 Å²	74	28%	0.276	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147	176.7	-171.5	-172	167.6	0	0	107.5	W429 G448 Y452	E427-W429 PolarHBondContact OE1-NE1 3.38Å; E427-G448 WeakPolarHBondContact OE1-CA 3.07Å; E427-Y452 HydrophobicContact CB-CD1 3.86Å; E427-Y452 HydrophobicContact CB-CE1 4.04Å; E427-Y452 VanDerWaalsContact CD-CE1 3.46Å; E427-Y452 HydrophobicContact CG-CD1 3.97Å; E427-Y452 HydrophobicContact CG-CE1 3.86Å; E427-Y452 WeakPolarHBondContact OE2-CE1 3.3Å
428	T	95.5	Very high	96.3	Very high	37 Å²	37	77.6 Å²	77.6	23%	0.227	39%	0.391	C	S	.	.			trans	-113.4	145.3	170.8	53	0	0	0	0	110.8	R184 D186 Q190	R184-T428 PolarHBondContact NH2-O 3.48Å; D186-T428 WeakPolarHBondContact OD2-CB 3.29Å; D186-T428 PolarHBondContact OD2-OG1 3.01Å; Q190-T428 HydrophobicContact CG-CG2 3.68Å
429	W	94.8	Very high	96.3	Very high	159 Å²	159	79.2 Å²	79.2	60%	0.602	39%	0.39	S	S	*	.			trans	-118.4	135.2	172.5	-64.4	-18.4	0	0	0	109.5	E427 M446	E427-W429 PolarHBondContact OE1-NE1 3.38Å; W429-M446 HydrophobicContact CB-CB 4.19Å; W429-M446 HydrophobicContact CB-CE 3.25Å; W429-M446 HydrophobicContact CB-CG 4.5Å; W429-M446 HydrophobicContact CD2-CE 4.44Å; W429-M446 HydrophobicContact CE3-CE 4Å; W429-M446 HydrophobicContact CG-CE 4.23Å
430	L	93.4	Very high	96.3	Very high	64 Å²	64	82.3 Å²	82.3	34%	0.335	41%	0.409	S	S	.	.			trans	-115.7	131.8	-176.8	-175.6	67.4	0	0	0	110.4	Y185	Y185-L430 HydrophobicContact CD2-CD2 4.25Å; Y185-L430 HydrophobicContact CE2-CD2 3.25Å; Y185-L430 VanDerWaalsContact OH-CD2 3.28Å; Y185-L430 WeakPolarHBondContact OH-CD2 3.44Å
431	R	93.5	Very high	96.1	Very high	106 Å²	106	85.7 Å²	85.7	40%	0.4	42%	0.423	S	S	.	.			trans	-126.2	121.8	174.5	-154.7	175	-162.4	179.3	-2.6	110.2	Y433 P442 M446	R431-Y433 HydrophobicContact CB-CE2 4.16Å; R431-Y433 HydrophobicContact CG-CE2 4.24Å; R431-P442 HydrophobicContact CG-CB 4.2Å; R431-P442 VanDerWaalsContact NE-CB 3.25Å; R431-M446 HydrophobicContact CB-CG 3.72Å; R431-M446 HydrophobicContact CB-SD 3.98Å; R431-M446 HydrophobicContact CG-CG 3.92Å; R431-M446 HydrophobicContact CG-SD 4.32Å
432	N	93.4	Very high	96	Very high	62 Å²	62	83.5 Å²	83.5	33%	0.332	42%	0.415	S	S	.	.			trans	-94.5	149.5	173.7	59.6	-15.3	0	0	0	110.8	K443 L444	N432-K443 PolarHBondContact O-N 3.46Å; N432-K443 WeakPolarHBondContact OD1-CB 3.37Å; N432-L444 VanDerWaalsContact OD1-CB 3.28Å; N432-L444 WeakPolarHBondContact OD1-CB 3.02Å; N432-L444 WeakPolarHBondContact OD1-CG 3.48Å; N432-L444 PolarHBondContact OD1-N 3.15Å
433	Y	94.9	Very high	95.5	Very high	135 Å²	135	82.8 Å²	82.8	53%	0.529	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.3	-176.3	-72.7	-101.9	0	0	0	111.2	R431 P442	R431-Y433 HydrophobicContact CB-CE2 4.16Å; R431-Y433 HydrophobicContact CG-CE2 4.24Å; Y433-P442 HydrophobicContact CD1-CB 4.46Å; Y433-P442 HydrophobicContact CD1-CG 4.19Å; Y433-P442 HydrophobicContact CE1-CB 4.29Å; Y433-P442 HydrophobicContact CE1-CG 3.72Å
434	Q	95.3	Very high	94.7	Very high	43 Å²	43	86.4 Å²	86.4	20%	0.201	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.1	156	-178.3	170.2	-79.4	0	0	107.3	L436 R439 S440 H441 K443	Q434-L436 HydrophobicContact CG-CD1 4.02Å; Q434-L436 HydrophobicContact CG-CG 4.07Å; Q434-R439 PolarHBondContact NE2-O 2.83Å; Q434-S440 VanDerWaalsContact O-CA 3.26Å; Q434-S440 WeakPolarHBondContact O-CA 3.27Å; Q434-H441 PolarHBondContact N-O 3.36Å; Q434-H441 PolarHBondContact NE2-NE2 3.36Å; Q434-H441 PolarHBondContact O-N 2.9Å; Q434-H441 VanDerWaalsContact O-N 3.08Å; Q434-K443 HydrophobicContact CB-CG 4.12Å
435	V	96.6	Very high	93.5	Very high	119 Å²	119	86.2 Å²	86.2	72%	0.721	44%	0.435	S	S	*	.			trans	-124.9	100.6	176.5	-174.5	0	0	0	0	106.9
436	L	94.6	Very high	92.3	Very high	65 Å²	65	87.1 Å²	87.1	34%	0.34	44%	0.438	S	S	.	.			trans	-142.5	148.4	178.5	-69.7	177.3	0	0	0	107.9	Q434 D438 R439 S440	Q434-L436 HydrophobicContact CG-CD1 4.02Å; Q434-L436 HydrophobicContact CG-CG 4.07Å; L436-D438 PolarHBondContact O-N 3.14Å; L436-R439 HydrophobicContact CB-CB 3.99Å; L436-R439 CarbonylContact O-C 3.58Å; L436-R439 PolarHBondContact O-N 3.2Å; L436-S440 PolarHBondContact N-OG 3.27Å; L436-S440 PolarHBondContact O-N 3.39Å; L436-S440 PolarHBondContact O-OG 3.32Å
437	P	95.7	Very high	91.1	Very high	98 Å²	98	88.8 Å²	88.8	64%	0.636	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	127.7	174.2	-26.7	35	0	0	0	110.8	R439	P437-R439 PolarHBondContact O-N 3.47Å; P437-R439 PolarHBondContact O-NE 2.94Å
438	D	95.5	Very high	90	Very high	148 Å²	148	87.3 Å²	87.3	79%	0.791	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	13.7	-178.8	-52.5	-42.8	0	0	0	116.4	F141 L436	F141-D438 HydrophobicContact CE2-CB 4.06Å; F141-D438 HydrophobicContact CZ-CB 3.67Å; L436-D438 PolarHBondContact O-N 3.14Å
439	R	94.5	Very high	89.4	Confident	60 Å²	60	87.6 Å²	87.6	23%	0.226	46%	0.461	C	S	.	.			trans	-137.5	30.1	-173.8	-66.2	176.4	-74.8	-172.3	-5.4	112.4	F141 D144 Q434 L436 P437 H441	F141-R439 HydrophobicContact CD1-CG 4.33Å; F141-R439 VanDerWaalsContact CD1-CZ 3.43Å; F141-R439 HydrophobicContact CD2-CG 4.17Å; F141-R439 HydrophobicContact CE1-CG 4.44Å; F141-R439 HydrophobicContact CE2-CG 4.29Å; F141-R439 HydrophobicContact CG-CG 4.2Å; F141-R439 HydrophobicContact CZ-CG 4.44Å; D144-R439 IonicContact OD2-CZ 3.81Å; D144-R439 IonicContact OD2-NH1 3.63Å; D144-R439 PolarHBondContact OD2-NH1 2.81Å; D144-R439 IonicContact OD2-NH2 3.76Å; D144-R439 PolarHBondContact OD2-NH2 2.87Å; Q434-R439 PolarHBondContact NE2-O 2.83Å; L436-R439 HydrophobicContact CB-CB 3.99Å; L436-R439 CarbonylContact O-C 3.58Å; L436-R439 PolarHBondContact O-N 3.2Å; P437-R439 PolarHBondContact O-N 3.47Å; P437-R439 PolarHBondContact O-NE 2.94Å; R439-H441 PolarHBondContact O-CD2 2.77Å
440	S	97.1	Very high	89.3	Confident	77 Å²	77	80.1 Å²	80.1	54%	0.538	43%	0.433	S	S	.	.			trans	-90.2	121.2	-175.8	-67.5	0	0	0	0	112	Q434 L436	Q434-S440 VanDerWaalsContact O-CA 3.26Å; Q434-S440 WeakPolarHBondContact O-CA 3.27Å; L436-S440 PolarHBondContact N-OG 3.27Å; L436-S440 PolarHBondContact O-N 3.39Å; L436-S440 PolarHBondContact O-OG 3.32Å
441	H	94.9	Very high	89.4	Confident	95 Å²	95	77.2 Å²	77.2	44%	0.44	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	161.4	179.7	62	83.4	0	0	0	111.4	Q434 R439	Q434-H441 PolarHBondContact N-O 3.36Å; Q434-H441 PolarHBondContact NE2-NE2 3.36Å; Q434-H441 PolarHBondContact O-N 2.9Å; Q434-H441 VanDerWaalsContact O-N 3.08Å; R439-H441 PolarHBondContact O-CD2 2.77Å
442	P	95.7	Very high	89.7	Confident	43 Å²	43	74 Å²	74	28%	0.279	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	146.4	170.8	-19.1	30.9	0	0	0	112.5	R431 Y433	R431-P442 HydrophobicContact CG-CB 4.2Å; R431-P442 VanDerWaalsContact NE-CB 3.25Å; Y433-P442 HydrophobicContact CD1-CB 4.46Å; Y433-P442 HydrophobicContact CD1-CG 4.19Å; Y433-P442 HydrophobicContact CE1-CB 4.29Å; Y433-P442 HydrophobicContact CE1-CG 3.72Å
443	K	89.6	Confident	89.9	Confident	106 Å²	106	71.3 Å²	71.3	46%	0.461	39%	0.392	S	S	.	.			trans	-94.2	-58.7	177.6	-71.8	-178	-179.6	178.6	0	112.8	N432 Q434	N432-K443 PolarHBondContact O-N 3.46Å; N432-K443 WeakPolarHBondContact OD1-CB 3.37Å; Q434-K443 HydrophobicContact CB-CG 4.12Å
444	L	80.4	Confident	90.1	Very high	109 Å²	109	64.9 Å²	64.9	57%	0.571	37%	0.367	S	S	*	.	S	Bend	trans	-104	151.3	-177.5	-61.6	172.1	0	0	0	111.4	N432	N432-L444 VanDerWaalsContact OD1-CB 3.28Å; N432-L444 WeakPolarHBondContact OD1-CB 3.02Å; N432-L444 WeakPolarHBondContact OD1-CG 3.48Å; N432-L444 PolarHBondContact OD1-N 3.15Å
445	L	74.3	Confident	90.3	Very high	149 Å²	149	63.2 Å²	63.2	78%	0.78	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-73.6	138.9	168.2	-173	67.3	0	0	0	109.2	S447	L445-S447 PolarHBondContact O-N 3.42Å
446	M	72.6	Confident	90.4	Very high	73 Å²	73	57.7 Å²	57.7	36%	0.36	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.2	125.2	175.4	-67.5	172.7	78.1	0	0	109	W429 R431	W429-M446 HydrophobicContact CB-CB 4.19Å; W429-M446 HydrophobicContact CB-CE 3.25Å; W429-M446 HydrophobicContact CB-CG 4.5Å; W429-M446 HydrophobicContact CD2-CE 4.44Å; W429-M446 HydrophobicContact CE3-CE 4Å; W429-M446 HydrophobicContact CG-CE 4.23Å; R431-M446 HydrophobicContact CB-CG 3.72Å; R431-M446 HydrophobicContact CB-SD 3.98Å; R431-M446 HydrophobicContact CG-CG 3.92Å; R431-M446 HydrophobicContact CG-SD 4.32Å
447	S	73.9	Confident	90.6	Very high	57 Å²	57	58.9 Å²	58.9	40%	0.399	33%	0.33	S	S	.	.			trans	-125.5	149.4	179.3	68.6	0	0	0	0	111.6	R184 L445 G449	R184-S447 PolarHBondContact NH1-O 3.35Å; L445-S447 PolarHBondContact O-N 3.42Å; S447-G449 VanDerWaalsContact C-N 3.28Å
448	G	72.9	Confident	90.8	Very high	29 Å²	29	54.6 Å²	54.6	30%	0.299	30%	0.302	S	S	.	.	S	Bend	trans	-83	2.9	174.3	0	0	0	0	0	115.4	E427 G450 G451	E427-G448 WeakPolarHBondContact OE1-CA 3.07Å; G448-G450 PolarHBondContact O-N 3.42Å; G448-G451 PolarHBondContact O-N 3.25Å
449	G	84.1	Confident	90.9	Very high	43 Å²	43	50.3 Å²	50.3	44%	0.443	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	24.7	177.6	0	0	0	0	0	114.8	Y173 S447	Y173-G449 PolarHBondContact OH-O 3.28Å; S447-G449 VanDerWaalsContact C-N 3.28Å
450	G	91.9	Very high	91	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.021	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2.8	173.3	0	0	0	0	0	114.2	R184 T187 G448	R184-G450 PolarHBondContact N-O 3.33Å; T187-G450 WeakPolarHBondContact CB-O 3.27Å; T187-G450 PolarHBondContact OG1-O 3.26Å; G448-G450 PolarHBondContact O-N 3.42Å
451	G	96.7	Very high	90.8	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.021	30%	0.295	C	S	.	.			trans	82.6	174.8	-179.4	0	0	0	0	0	114.2	G448	G448-G451 PolarHBondContact O-N 3.25Å
452	Y	98.6	Very high	90.4	Very high	40 Å²	40	54.2 Å²	54.2	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152.6	-171.5	-59.3	-89.2	0	0	0	110.7	Y400 C401 K404 E427	Y400-Y452 WeakPolarHBondContact CA-O 3.44Å; C401-Y452 PolarHBondContact N-O 3.25Å; C401-Y452 PolarHBondContact O-N 2.95Å; K404-Y452 HydrophobicContact CB-CD1 4.25Å; K404-Y452 HydrophobicContact CB-CD2 4.05Å; K404-Y452 HydrophobicContact CB-CE1 4.13Å; K404-Y452 HydrophobicContact CB-CE2 3.93Å; K404-Y452 HydrophobicContact CB-CG 4.21Å; K404-Y452 HydrophobicContact CD-CE1 4.31Å; K404-Y452 HydrophobicContact CG-CD1 4.33Å; K404-Y452 HydrophobicContact CG-CE1 4.34Å; E427-Y452 HydrophobicContact CB-CD1 3.86Å; E427-Y452 HydrophobicContact CB-CE1 4.04Å; E427-Y452 VanDerWaalsContact CD-CE1 3.46Å; E427-Y452 HydrophobicContact CG-CD1 3.97Å; E427-Y452 HydrophobicContact CG-CE1 3.86Å; E427-Y452 WeakPolarHBondContact OE2-CE1 3.3Å
453	L	98.8	Very high	89.3	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.7	178.2	-61.6	-178.1	0	0	0	111.2	T187 Q190 M191 L194 V398 V399 Y400 L425 S426	T187-L453 HydrophobicContact CG2-CD1 4.03Å; T187-L453 HydrophobicContact CG2-CD2 3.72Å; T187-L453 HydrophobicContact CG2-CG 3.81Å; Q190-L453 HydrophobicContact CB-CD1 3.62Å; M191-L453 HydrophobicContact CG-CD1 3.88Å; M191-L453 HydrophobicContact CG-CD2 3.4Å; M191-L453 HydrophobicContact CG-CG 4.31Å; M191-L453 HydrophobicContact SD-CD2 3.91Å; L194-L453 HydrophobicContact CD1-CD1 4.16Å; V398-L453 HydrophobicContact CG1-CD2 4.14Å; V399-L453 WeakPolarHBondContact O-CA 3.32Å; Y400-L453 HydrophobicContact CD2-CD2 3.95Å; Y400-L453 HydrophobicContact CG-CD2 4.48Å; L425-L453 CarbonylContact C-O 3.59Å; L425-L453 WeakPolarHBondContact CA-O 3.42Å; S426-L453 PolarHBondContact N-O 3.46Å; S426-L453 PolarHBondContact O-N 2.99Å
454	L	98.9	Very high	87.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.9	161.7	177.8	60.4	0	0	0	108.4	V399 L407 C410 Y411 L414 R424	V399-L454 HydrophobicContact CB-CB 4.41Å; V399-L454 PolarHBondContact N-O 3.44Å; V399-L454 PolarHBondContact O-N 2.94Å; L407-L454 HydrophobicContact CB-CB 4.36Å; L407-L454 HydrophobicContact CD1-CB 4.22Å; L407-L454 HydrophobicContact CD2-CB 3.96Å; L407-L454 HydrophobicContact CG-CB 4.42Å; C410-L454 HydrophobicContact CB-CD2 3.92Å; Y411-L454 HydrophobicContact CD2-CD1 3.83Å; L414-L454 HydrophobicContact CD1-CD2 4.08Å; R424-L454 WeakPolarHBondContact O-CA 3.34Å
455	S	98.9	Very high	86	Confident	8 Å²	8	65.9 Å²	65.9	6%	0.056	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.3	-178.3	56.5	0	0	0	0	111.3	F397 L423 R424	F397-S455 WeakPolarHBondContact O-CA 3.33Å; L423-S455 CarbonylContact C-O 3.57Å; L423-S455 WeakPolarHBondContact CA-O 3.24Å; R424-S455 PolarHBondContact N-O 3.31Å; R424-S455 PolarHBondContact O-N 3.25Å; R424-S455 PolarHBondContact O-OG 3.41Å
456	G	98.8	Very high	84.6	Confident	4 Å²	4	62.3 Å²	62.3	4%	0.041	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	-176.4	176.7	0	0	0	0	0	111.6	P396 F397	P396-G456 WeakPolarHBondContact CA-O 3.35Å; F397-G456 WeakPolarHBondContact CD1-O 3.47Å; F397-G456 VanDerWaalsContact CE1-C 3.45Å; F397-G456 PolarHBondContact N-O 3Å; F397-G456 PolarHBondContact O-N 2.98Å
457	F	98.9	Very high	83.1	Confident	90 Å²	90	63.6 Å²	63.6	40%	0.395	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.8	173.8	-75.8	-97.1	0	0	0	110.1	R395 P396 V420 I421	R395-F457 CarbonylContact O-C 3.57Å; R395-F457 WeakPolarHBondContact O-CA 3.4Å; P396-F457 HydrophobicContact CB-CD1 4.34Å; P396-F457 HydrophobicContact CB-CE1 3.97Å; P396-F457 HydrophobicContact CB-CZ 4.22Å; P396-F457 HydrophobicContact CG-CE1 4.43Å; V420-F457 CarbonylContact C-O 3.54Å; V420-F457 VanDerWaalsContact CA-O 3.23Å; V420-F457 WeakPolarHBondContact CA-O 3.33Å; I421-F457 HydrophobicContact CG2-CB 4.1Å; I421-F457 PolarHBondContact N-O 3.4Å; I421-F457 PolarHBondContact O-N 2.86Å
458	T	98.8	Very high	81.7	Confident	8 Å²	8	66.9 Å²	66.9	5%	0.049	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	148.2	168.5	55.2	0	0	0	0	110.4	L388 V391 A392 S394 R395 F397 G419	L388-T458 HydrophobicContact CD2-CG2 3.91Å; V391-T458 HydrophobicContact CB-CG2 4.18Å; V391-T458 HydrophobicContact CG1-CG2 3.84Å; A392-T458 PolarHBondContact O-OG1 3.24Å; S394-T458 VanDerWaalsContact CA-O 3.22Å; S394-T458 WeakPolarHBondContact CA-O 3.49Å; S394-T458 PolarHBondContact N-O 3.08Å; S394-T458 PolarHBondContact N-OG1 3.34Å; R395-T458 PolarHBondContact N-OG1 3.14Å; R395-T458 PolarHBondContact O-N 3.3Å; R395-T458 PolarHBondContact O-OG1 3.46Å; F397-T458 HydrophobicContact CD1-CG2 4.29Å; G419-T458 CarbonylContact O-C 3.59Å; G419-T458 WeakPolarHBondContact O-CA 3.47Å
459	V	98.1	Very high	80.3	Confident	57 Å²	57	76 Å²	76	35%	0.345	41%	0.411	S	S	.	.			trans	-134.6	163.5	171.1	-65.7	0	0	0	0	109.4	G419 I421	G419-V459 VanDerWaalsContact C-CG2 3.44Å; G419-V459 PolarHBondContact O-N 3.48Å; I421-V459 HydrophobicContact CB-CG1 3.98Å; I421-V459 HydrophobicContact CG2-CG1 3.54Å
460	A	96.5	Very high	78.4	Confident	73 Å²	73	79.9 Å²	79.9	60%	0.603	42%	0.42	S	S	*	.			trans	-59.6	141.1	173	0	0	0	0	0	109.8
461	M	92.8	Very high	75.9	Confident	92 Å²	92	88.3 Å²	88.3	45%	0.453	46%	0.456	S	S	.	.			trans	-74.2	144.6	173.2	-66	-67.9	-76.2	0	0	109.6	R417 G419 N463	R417-M461 VanDerWaalsContact O-CE 3.29Å; R417-M461 WeakPolarHBondContact O-CE 3.3Å; G419-M461 WeakPolarHBondContact CA-SD 3.46Å; G419-M461 PolarHBondContact N-SD 2.84Å; G419-M461 VanDerWaalsContact N-SD 3.35Å; M461-N463 PolarHBondContact O-N 3.48Å
462	D	88.1	Confident	73.1	Confident	149 Å²	149	92 Å²	92	80%	0.797	48%	0.482	S	S	*	.			trans	-67.6	104.5	172.9	-66.5	-39	0	0	0	109.6	L464	D462-L464 VanDerWaalsContact C-N 3.27Å; D462-L464 PolarHBondContact O-N 3.07Å
463	N	71.5	Confident	70.2	Confident	127 Å²	127	96 Å²	96	68%	0.679	51%	0.506	S	S	*	.			trans	-76.4	82.8	171.3	-77.7	-25.9	0	0	0	109	M461 K465 A466	M461-N463 PolarHBondContact O-N 3.48Å; N463-K465 PolarHBondContact O-N 2.85Å; N463-A466 HydrophobicContact CB-CB 4.28Å; N463-A466 PolarHBondContact O-N 2.93Å
464	L	54.8	Low	67.2	Low	167 Å²	167	100.1 Å²	100.1	87%	0.874	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-2.6	174.2	-75.1	165.6	0	0	0	114.3	D462	D462-L464 VanDerWaalsContact C-N 3.27Å; D462-L464 PolarHBondContact O-N 3.07Å
465	K	46.2	Very low	64.2	Low	209 Å²	209	105.2 Å²	105.2	91%	0.909	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-12.7	174.9	-67.1	-174.8	178.9	179.7	0	114.7	N463	N463-K465 PolarHBondContact O-N 2.85Å
466	A	44.9	Very low	61.2	Low	74 Å²	74	110.5 Å²	110.5	61%	0.612	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-21.1	-172.8	0	0	0	0	0	114.9	N463	N463-A466 HydrophobicContact CB-CB 4.28Å; N463-A466 PolarHBondContact O-N 2.93Å
467	D	41.6	Very low	58.1	Low	100 Å²	100	118.1 Å²	118.1	54%	0.535	65%	0.647	S	S	.	*			trans	-110.8	82.3	-177.5	-91.1	-40.1	0	0	0	113	R469 L470	D467-R469 PolarHBondContact O-N 3.44Å; D467-L470 HydrophobicContact CB-CD1 4.21Å
468	T	43.9	Very low	55.1	Low	126 Å²	126	123.1 Å²	123.1	77%	0.773	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-4.2	164.6	-8.2	0	0	0	0	112.5
469	R	42.9	Very low	52.3	Low	222 Å²	222	128.1 Å²	128.1	84%	0.838	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-10.9	-176.1	-73.2	-174.4	177.4	-169.2	-0.3	115.3	D467	D467-R469 PolarHBondContact O-N 3.44Å
470	L	44.9	Very low	49.1	Very low	123 Å²	123	134.9 Å²	134.9	64%	0.644	74%	0.735	S	S	*	*	S	Bend	trans	-99.9	-3.5	-178.5	-82.3	154.1	0	0	0	114.2	D467 S472	D467-L470 HydrophobicContact CB-CD1 4.21Å; L470-S472 PolarHBondContact O-N 3.46Å
471	K	40.1	Very low	46.1	Very low	179 Å²	179	140.7 Å²	140.7	78%	0.778	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-7.9	178.6	-75.3	-172.8	177.7	-178.4	0	114.9
472	S	37.7	Very low	43.4	Very low	80 Å²	80	143.1 Å²	143.1	56%	0.559	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-9.7	-176.9	60.1	0	0	0	0	115.2	L470	L470-S472 PolarHBondContact O-N 3.46Å
473	N	36.7	Very low	40.7	Very low	125 Å²	125	145.4 Å²	145.4	67%	0.668	78%	0.776	S	S	*	*	S	Bend	trans	-110.9	3.4	-169.9	-64.2	4.5	0	0	0	114.2
474	A	36.5	Very low	39	Very low	90 Å²	90	148.4 Å²	148.4	74%	0.744	79%	0.785	S	S	*	*	S	Bend	trans	-92.6	-5.3	-179.9	0	0	0	0	0	114.3
475	S	34.8	Very low	38.1	Very low	107 Å²	107	146.6 Å²	146.6	75%	0.748	78%	0.784	S	S	*	*	S	Bend	trans	-96	14.6	-175.1	66.7	0	0	0	0	115.2
476	T	36	Very low	37.4	Very low	119 Å²	119	141.7 Å²	141.7	73%	0.73	78%	0.782	S	S	*	*	S	Bend	trans	-126.9	20.9	-175.5	-28.5	0	0	0	0	114.5
477	L	35	Very low	37.1	Very low	164 Å²	164	143 Å²	143	86%	0.859	79%	0.793	S	S	*	*			trans	-129.8	13.9	-178.3	-92.8	158.1	0	0	0	115.2
478	E	34.8	Very low	37	Very low	195 Å²	195	148.1 Å²	148.1	91%	0.911	81%	0.81	S	S	*	*			trans	-104.5	83.3	168.1	-76.3	-174.6	164.4	0	0	110.1
479	S	39.8	Very low	36.8	Very low	113 Å²	113	152.2 Å²	152.2	79%	0.79	82%	0.818	S	S	*	*			trans	-176	70.7	156.6	33.9	0	0	0	0	110.8
480	Q	32.4	Very low	36.4	Very low	199 Å²	199	153.4 Å²	153.4	93%	0.93	82%	0.822	S	S	*	*			trans	-139.2	126.7	149.3	-76.2	-164.4	-30.8	0	0	109.5
481	E	33.1	Very low	35.9	Very low	194 Å²	194	157.4 Å²	157.4	91%	0.907	83%	0.834	S	S	*	*			trans	-67.6	158.8	-170.1	-68.5	171	136.7	0	0	113.5
482	T	35.3	Very low	35.7	Very low	143 Å²	143	154.8 Å²	154.8	88%	0.877	84%	0.837	S	S	*	*			trans	-62.9	129.8	174.2	41.7	0	0	0	0	113.7
483	E	31.6	Very low	35.9	Very low	197 Å²	197	156.8 Å²	156.8	92%	0.921	85%	0.848	S	S	*	*			trans	-125.8	134.2	158.5	-108.7	-171.1	166.7	0	0	110.9
484	E	35.5	Very low	36	Very low	190 Å²	190	160.3 Å²	160.3	89%	0.888	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-63.9	158.3	-177.8	-93.3	-174.1	133.9	0	0	114.7
485	P	35.9	Very low	36.2	Very low	129 Å²	129	161.6 Å²	161.6	84%	0.838	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-86.9	124	178.4	33.7	-29.3	0	0	0	112.6
486	A	32.6	Very low	36.4	Very low	106 Å²	106	164.3 Å²	164.3	88%	0.876	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-80.9	153.6	170.9	0	0	0	0	0	113.7
487	A	36.9	Very low	36.6	Very low	101 Å²	101	168.1 Å²	168.1	84%	0.835	90%	0.902	S	S	*	*	P	Polyproline II helix	trans	-77.1	164.2	-153.7	0	0	0	0	0	119.1
488	K	40.8	Very low	36.7	Very low	208 Å²	208	168.4 Å²	168.4	90%	0.904	90%	0.904	S	S	*	*	P	Polyproline II helix	trans	-50.9	131.3	177.3	-71.2	172.7	175	173.2	0	114.6
489	K	38.4	Very low	36.8	Very low	213 Å²	213	166.9 Å²	166.9	93%	0.926	90%	0.904	S	S	*	*	P	Polyproline II helix	trans	-72.6	128.1	166.9	-79.8	-177.7	175.4	178.4	0	111.9
490	R	35.3	Very low	36.7	Very low	246 Å²	246	169.9 Å²	169.9	93%	0.928	91%	0.91	S	S	*	*	P	Polyproline II helix	trans	-78.9	149.6	169.2	-85.5	-179.9	170.2	-179.1	-2.9	111.5
491	K	35.1	Very low	36.9	Very low	208 Å²	208	168.2 Å²	168.2	90%	0.904	91%	0.909	S	S	*	*	P	Polyproline II helix	trans	-80.3	133.9	174.8	-152.3	178.5	-175.4	-173.2	0	109.5
492	C	35.3	Very low	37.2	Very low	123 Å²	123	166.6 Å²	166.6	83%	0.831	91%	0.909	S	S	*	*	P	Polyproline II helix	trans	-82.7	142.6	171.5	-68.8	0	0	0	0	110.4
493	P	41.5	Very low	37.3	Very low	123 Å²	123	168.2 Å²	168.2	80%	0.799	91%	0.911	S	S	*	*	P	Polyproline II helix	trans	-86.5	149.7	174.6	34.4	-30.2	0	0	0	111.7
494	E	39.5	Very low	37.7	Very low	198 Å²	198	166.1 Å²	166.1	93%	0.925	91%	0.911	S	S	*	*	P	Polyproline II helix	trans	-66	141.4	165.2	-74	168.2	148.7	0	0	110
495	S	40.9	Very low	37.8	Very low	117 Å²	117	164.3 Å²	164.3	82%	0.818	91%	0.912	S	S	*	*			trans	-110.4	114	170.3	53	0	0	0	0	109.5
496	D	38.1	Very low	38	Very low	164 Å²	164	167.3 Å²	167.3	88%	0.877	92%	0.919	S	S	*	*			trans	-69.2	123.3	157.6	-81.2	-36.8	0	0	0	109.7
497	S	41.9	Very low	38.5	Very low	200 Å²	200	172.8 Å²	172.8	100%	1.399	92%	0.922	S	S	*	*			trans	166.8	0	141.1	-70.2	0	0	0	0	110.3

Retrieved 497 of 497 residues in 1090 ms (Link to these results)

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