A0A077Z9U2_TRITR Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A077Z9U2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 681 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	33.2	Very low	229 Å²	229	138.2 Å²	138.2	100%	1.128	80%	0.804	S	S	*	*				0	14.6	0	-70.2	-177.4	75.9	0	0	113.9
2	V	35.8	Very low	33	Very low	137 Å²	137	135.8 Å²	135.8	83%	0.83	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-0.5	-172.1	179.4	0	0	0	0	113.5
3	T	35.4	Very low	32.7	Very low	146 Å²	146	139.2 Å²	139.2	90%	0.896	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	5.5	179.3	40.4	0	0	0	0	115
4	A	34.4	Very low	32.3	Very low	86 Å²	86	136.6 Å²	136.6	71%	0.711	79%	0.785	S	S	*	*	S	Bend	trans	-104.5	1.4	-177.3	0	0	0	0	0	115.3
5	A	34.6	Very low	31.9	Very low	83 Å²	83	132.4 Å²	132.4	69%	0.686	76%	0.762	S	S	*	*	S	Bend	trans	-99.9	-1.6	-172.2	0	0	0	0	0	115.8
6	I	34.2	Very low	31.6	Very low	148 Å²	148	130.6 Å²	130.6	76%	0.759	75%	0.754	S	S	*	*	S	Bend	trans	-96.1	-7.2	-174.1	-61.1	178.3	0	0	0	113.3
7	L	31.1	Very low	31.9	Very low	160 Å²	160	128.4 Å²	128.4	84%	0.838	74%	0.738	S	S	*	*	S	Bend	trans	-96.8	1.1	-175.1	-93.5	155	0	0	0	116.2
8	F	32.1	Very low	31.9	Very low	180 Å²	180	125.8 Å²	125.8	79%	0.789	72%	0.721	S	S	*	*	S	Bend	trans	-108.1	-0.4	-175.6	-102.3	-82.8	0	0	0	116.8
9	T	33.8	Very low	31.9	Very low	131 Å²	131	121.1 Å²	121.1	80%	0.804	70%	0.702	S	S	*	*	S	Bend	trans	-105.4	15.6	177.8	50	0	0	0	0	114.4
10	A	30.4	Very low	32.1	Very low	82 Å²	82	117.1 Å²	117.1	68%	0.678	68%	0.684	S	S	*	*			trans	-100.1	21.3	170	0	0	0	0	0	112.8	V12	A10-V12 PolarHBondContact O-N 2.86Å
11	L	29.5	Very low	32.2	Very low	138 Å²	138	116.9 Å²	116.9	72%	0.723	67%	0.672	S	S	*	*			trans	-69.3	78.1	151.4	-92.4	156.6	0	0	0	106.7	F13	L11-F13 VanDerWaalsContact C-N 3.28Å; L11-F13 PolarHBondContact O-N 3.43Å
12	V	30.7	Very low	32.4	Very low	109 Å²	109	107.2 Å²	107.2	66%	0.661	63%	0.627	S	S	*	*			trans	-47.7	103.5	157.8	175	0	0	0	0	104.9	A10 C14	A10-V12 PolarHBondContact O-N 2.86Å; V12-C14 PolarHBondContact O-N 3.38Å
13	F	29.2	Very low	32.7	Very low	181 Å²	181	103 Å²	103	79%	0.794	60%	0.598	S	S	*	*			trans	-58.2	91	159.5	-87.7	-95.4	0	0	0	105.1	L11 V15	L11-F13 VanDerWaalsContact C-N 3.28Å; L11-F13 PolarHBondContact O-N 3.43Å; F13-V15 HydrophobicContact CB-CG2 4.38Å; F13-V15 PolarHBondContact O-N 3.15Å
14	C	26.7	Very low	32.9	Very low	103 Å²	103	97.7 Å²	97.7	70%	0.696	56%	0.563	S	S	*	*			trans	-62	85	157.4	-77.1	0	0	0	0	105.4	V12 T16	V12-C14 PolarHBondContact O-N 3.38Å; C14-T16 PolarHBondContact O-N 3.15Å
15	V	27.4	Very low	33	Very low	73 Å²	73	94.1 Å²	94.1	44%	0.442	53%	0.533	S	S	.	.			trans	-63.7	94.5	162.1	179.3	0	0	0	0	104.6	F13 I17	F13-V15 HydrophobicContact CB-CG2 4.38Å; F13-V15 PolarHBondContact O-N 3.15Å; V15-I17 PolarHBondContact O-N 3.08Å
16	T	27.2	Very low	33.1	Very low	103 Å²	103	90.7 Å²	90.7	63%	0.632	50%	0.503	S	S	*	.			trans	-62.4	116.2	170.3	47.6	0	0	0	0	107.2	C14 D18	C14-T16 PolarHBondContact O-N 3.15Å; T16-D18 VanDerWaalsContact C-N 3.26Å; T16-D18 PolarHBondContact O-N 3.15Å
17	I	36.2	Very low	33.2	Very low	94 Å²	94	83.8 Å²	83.8	48%	0.482	47%	0.468	S	S	.	.			trans	-72.5	88	171.2	-56.8	171.1	0	0	0	106.2	V15 G19	V15-I17 PolarHBondContact O-N 3.08Å; I17-G19 PolarHBondContact O-N 2.72Å
18	D	31.6	Very low	33.6	Very low	82 Å²	82	76.7 Å²	76.7	44%	0.439	43%	0.43	S	S	.	.			trans	-66.9	118.7	147	-88.9	-57.4	0	0	0	104.7	T16 R21	T16-D18 VanDerWaalsContact C-N 3.26Å; T16-D18 PolarHBondContact O-N 3.15Å; D18-R21 IonicContact OD1-CZ 3.84Å; D18-R21 IonicContact OD1-NE 3.51Å; D18-R21 PolarHBondContact OD1-NE 2.81Å; D18-R21 IonicContact OD1-NH2 3.97Å; D18-R21 PolarHBondContact OD1-NH2 3.28Å; D18-R21 IonicContact OD2-CZ 3.02Å; D18-R21 VanDerWaalsContact OD2-CZ 3.27Å; D18-R21 IonicContact OD2-NE 3.87Å; D18-R21 IonicContact OD2-NH2 2.93Å; D18-R21 PolarHBondContact OD2-NH2 3.45Å
19	G	32	Very low	33.9	Very low	35 Å²	35	69.2 Å²	69.2	36%	0.361	40%	0.4	S	S	.	.			trans	-53.9	171.8	170.2	0	0	0	0	0	110.7	I17 R21	I17-G19 PolarHBondContact O-N 2.72Å; G19-R21 VanDerWaalsContact C-N 3.31Å; G19-R21 PolarHBondContact O-N 3.42Å
20	A	35.9	Very low	33.8	Very low	41 Å²	41	64 Å²	64	34%	0.339	37%	0.368	S	S	.	.	S	Bend	trans	-49.2	105	164.4	0	0	0	0	0	106.9	S22	A20-S22 PolarHBondContact O-N 3.21Å; A20-S22 VanDerWaalsContact O-N 3.14Å
21	R	34	Very low	33.8	Very low	113 Å²	113	62.3 Å²	62.3	43%	0.426	35%	0.346	S	S	.	.			trans	-70.1	115.8	-177.9	-81	-174.8	175.2	170.2	-1.4	104.9	D18 G19 F23	D18-R21 IonicContact OD1-CZ 3.84Å; D18-R21 IonicContact OD1-NE 3.51Å; D18-R21 PolarHBondContact OD1-NE 2.81Å; D18-R21 IonicContact OD1-NH2 3.97Å; D18-R21 PolarHBondContact OD1-NH2 3.28Å; D18-R21 IonicContact OD2-CZ 3.02Å; D18-R21 VanDerWaalsContact OD2-CZ 3.27Å; D18-R21 IonicContact OD2-NE 3.87Å; D18-R21 IonicContact OD2-NH2 2.93Å; D18-R21 PolarHBondContact OD2-NH2 3.45Å; G19-R21 VanDerWaalsContact C-N 3.31Å; G19-R21 PolarHBondContact O-N 3.42Å; R21-F23 PolarHBondContact O-N 3.27Å; R21-F23 VanDerWaalsContact O-N 3.09Å
22	S	38.1	Very low	33.8	Very low	27 Å²	27	59.8 Å²	59.8	19%	0.189	34%	0.337	C	S	.	.			trans	-65.8	108.4	167.5	47.9	0	0	0	0	107.4	A20 H24	A20-S22 PolarHBondContact O-N 3.21Å; A20-S22 VanDerWaalsContact O-N 3.14Å; S22-H24 PolarHBondContact O-N 2.94Å
23	F	41.6	Very low	33.9	Very low	49 Å²	49	62.4 Å²	62.4	22%	0.215	34%	0.342	C	S	.	.			trans	-72	110	168.1	-64.5	-78.9	0	0	0	107.3	R21 C25 E206 V208 T372 H373	R21-F23 PolarHBondContact O-N 3.27Å; R21-F23 VanDerWaalsContact O-N 3.09Å; F23-C25 PolarHBondContact O-N 2.63Å; F23-E206 CarbonylContact C-O 3.49Å; F23-E206 WeakPolarHBondContact CA-O 3.3Å; F23-V208 HydrophobicContact CB-CG2 3.91Å; F23-V208 HydrophobicContact CD1-CG2 3.88Å; F23-V208 HydrophobicContact CG-CG2 4.02Å; F23-T372 VanDerWaalsContact O-CA 3.3Å; F23-T372 WeakPolarHBondContact O-CA 3.23Å; F23-H373 PolarHBondContact O-N 3.02Å
24	H	39.9	Very low	34.3	Very low	34 Å²	34	54.3 Å²	54.3	16%	0.157	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-70.1	125.9	174.7	-73.3	-77.9	0	0	0	109.2	S22 S26 E206 N207	S22-H24 PolarHBondContact O-N 2.94Å; H24-S26 PolarHBondContact O-N 3.29Å; H24-E206 HydrophobicContact CB-CB 4.25Å; H24-E206 IonicContact CD2-OE2 2.69Å; H24-E206 PolarHBondContact CD2-OE2 3.28Å; H24-E206 VanDerWaalsContact CD2-OE2 3.23Å; H24-E206 PolarHBondContact N-O 2.8Å; H24-E206 VanDerWaalsContact N-O 3.15Å; H24-E206 VanDerWaalsContact O-O 3.1Å; H24-N207 PolarHBondContact O-OD1 2.85Å
25	C	37.3	Very low	34.4	Very low	11 Å²	11	50.2 Å²	50.2	7%	0.074	28%	0.28	C	S	.	.			trans	-78.2	107.9	164.7	-62.2	0	0	0	0	106.3	F23 Y27 H358 G371	F23-C25 PolarHBondContact O-N 2.63Å; C25-Y27 PolarHBondContact O-N 3.13Å; C25-H358 PolarHBondContact O-CE1 3.11Å; C25-G371 PolarHBondContact N-O 3.23Å
26	S	36.2	Very low	34.3	Very low	10 Å²	10	47.3 Å²	47.3	7%	0.07	26%	0.264	C	S	.	.			trans	-87.4	111.4	178.5	-180	0	0	0	0	109.4	H24 R201 N207 Y210	H24-S26 PolarHBondContact O-N 3.29Å; S26-R201 PolarHBondContact OG-NH1 2.9Å; S26-N207 WeakPolarHBondContact CB-OD1 3.4Å; S26-Y210 WeakPolarHBondContact O-CB 3.08Å
27	Y	36	Very low	34.1	Very low	3 Å²	3	44.6 Å²	44.6	1%	0.012	25%	0.251	C	S	.	.			trans	-78.1	144.6	164.5	163.9	-100.7	0	0	0	110.4	C25 P29 R201 H255 S260 A262 G353	C25-Y27 PolarHBondContact O-N 3.13Å; Y27-P29 HydrophobicContact CE1-CB 4.45Å; Y27-R201 PolarHBondContact O-NH1 2.94Å; Y27-H255 HydrophobicContact CD2-CB 4.29Å; Y27-H255 AromaticContact CD2-ND1 3.98Å; Y27-S260 VanDerWaalsContact CE2-OG 3.28Å; Y27-S260 WeakPolarHBondContact CE2-OG 3.3Å; Y27-S260 PolarHBondContact OH-OG 3.1Å; Y27-A262 WeakPolarHBondContact OH-CB 3.47Å; Y27-G353 VanDerWaalsContact CB-O 3.31Å; Y27-G353 WeakPolarHBondContact CB-O 3.31Å; Y27-G353 VanDerWaalsContact CD1-O 3.26Å; Y27-G353 WeakPolarHBondContact CD1-O 3.32Å; Y27-G353 WeakPolarHBondContact O-CA 3.33Å
28	E	40.1	Very low	33.5	Very low	12 Å²	12	41.8 Å²	41.8	6%	0.056	24%	0.239	C	C	.	.			trans	-110.3	117.5	171.9	-176.8	149.9	-134	0	0	108.8	K31 R201 A212 Y227	E28-K31 WeakPolarHBondContact OE1-CG 3.38Å; E28-R201 VanDerWaalsContact CB-CZ 3.43Å; E28-R201 VanDerWaalsContact CG-CZ 3.46Å; E28-R201 IonicContact OE1-CZ 2.78Å; E28-R201 IonicContact OE1-NE 3.44Å; E28-R201 PolarHBondContact OE1-NE 2.77Å; E28-R201 IonicContact OE1-NH2 3.74Å; E28-R201 PolarHBondContact OE1-NH2 2.78Å; E28-R201 IonicContact OE2-CZ 3.5Å; E28-R201 IonicContact OE2-NE 2.85Å; E28-R201 PolarHBondContact OE2-NE 2.04Å; E28-R201 IonicContact OE2-NH2 3.38Å; E28-A212 WeakPolarHBondContact O-CB 3Å; E28-Y227 PolarHBondContact OE2-OH 2.98Å
29	P	37.7	Very low	33	Very low	23 Å²	23	43 Å²	43	15%	0.149	25%	0.253	C	S	.	.			trans	-59.5	133.1	150.4	26.1	-29.3	0	0	0	106.9	Y27 K31	Y27-P29 HydrophobicContact CE1-CB 4.45Å; P29-K31 PolarHBondContact O-N 3.28Å
30	P	31.3	Very low	32.7	Very low	21 Å²	21	46.1 Å²	46.1	14%	0.136	27%	0.265	C	S	.	.			trans	-44.3	139.4	-173	12.2	-26.7	0	0	0	112.3	E34 I53	P30-E34 VanDerWaalsContact C-OE2 3.27Å; P30-E34 WeakPolarHBondContact CA-OE2 3.47Å; P30-E34 HydrophobicContact CB-CB 4.28Å; P30-E34 WeakPolarHBondContact CB-OE2 3.34Å; P30-I53 HydrophobicContact CG-CG1 4.45Å; P30-I53 HydrophobicContact CG-CG2 4.22Å
31	K	31.8	Very low	32	Very low	47 Å²	47	55.6 Å²	55.6	20%	0.204	29%	0.292	C	S	.	.			trans	-50.4	149.8	-169.6	-52.9	172.4	170.5	175.6	0	110.4	E28 P29 E33 E34 E153	E28-K31 WeakPolarHBondContact OE1-CG 3.38Å; P29-K31 PolarHBondContact O-N 3.28Å; K31-E33 PolarHBondContact O-N 3.44Å; K31-E34 HydrophobicContact CB-CG 3.68Å; K31-E34 HydrophobicContact CG-CG 4.34Å; K31-E34 PolarHBondContact N-OE2 3.14Å; K31-E34 WeakPolarHBondContact O-CA 3.18Å; K31-E34 VanDerWaalsContact O-CB 3.23Å; K31-E34 WeakPolarHBondContact O-CB 3.4Å; K31-E34 WeakPolarHBondContact O-CG 3.45Å; K31-E34 PolarHBondContact O-N 3.31Å; K31-E153 WeakPolarHBondContact CE-OE1 3.3Å; K31-E153 IonicContact NZ-OE1 2.75Å; K31-E153 PolarHBondContact NZ-OE1 3.42Å; K31-E153 IonicContact NZ-OE2 3.71Å; K31-E153 PolarHBondContact NZ-OE2 2.76Å
32	P	29.4	Very low	31.6	Very low	85 Å²	85	53.9 Å²	53.9	55%	0.552	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-55.1	-28.9	174.6	-24.5	33.1	0	0	0	113.2	E34 A35 F51	P32-E34 PolarHBondContact O-N 2.91Å; P32-A35 PolarHBondContact O-N 3.42Å; P32-F51 HydrophobicContact CB-CD1 4.32Å; P32-F51 HydrophobicContact CB-CE1 4.14Å; P32-F51 VanDerWaalsContact O-CD1 3.28Å; P32-F51 WeakPolarHBondContact O-CD1 3.31Å
33	E	31.6	Very low	31.2	Very low	164 Å²	164	57.1 Å²	57.1	77%	0.766	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-75.5	-5.2	174.9	-59.1	178.6	174.2	0	0	113.8	K31 R127	K31-E33 PolarHBondContact O-N 3.44Å; E33-R127 PolarHBondContact O-NH1 3.4Å
34	E	37.5	Very low	30.5	Very low	10 Å²	10	64.4 Å²	64.4	5%	0.047	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-96.5	5	173.5	-39.8	-167.2	124.9	0	0	112	P30 K31 P32 L54 R127	P30-E34 VanDerWaalsContact C-OE2 3.27Å; P30-E34 WeakPolarHBondContact CA-OE2 3.47Å; P30-E34 HydrophobicContact CB-CB 4.28Å; P30-E34 WeakPolarHBondContact CB-OE2 3.34Å; K31-E34 HydrophobicContact CB-CG 3.68Å; K31-E34 HydrophobicContact CG-CG 4.34Å; K31-E34 PolarHBondContact N-OE2 3.14Å; K31-E34 WeakPolarHBondContact O-CA 3.18Å; K31-E34 VanDerWaalsContact O-CB 3.23Å; K31-E34 WeakPolarHBondContact O-CB 3.4Å; K31-E34 WeakPolarHBondContact O-CG 3.45Å; K31-E34 PolarHBondContact O-N 3.31Å; P32-E34 PolarHBondContact O-N 2.91Å; E34-L54 WeakPolarHBondContact O-CD1 3.03Å; E34-L54 VanDerWaalsContact O-CG 3.32Å; E34-L54 WeakPolarHBondContact O-CG 2.86Å; E34-R127 VanDerWaalsContact CD-NH2 3.34Å; E34-R127 IonicContact OE1-CZ 3.5Å; E34-R127 IonicContact OE1-NH1 3.55Å; E34-R127 IonicContact OE1-NH2 3.03Å; E34-R127 PolarHBondContact OE1-NH2 3.01Å
35	A	29.7	Very low	29.9	Very low	17 Å²	17	68.5 Å²	68.5	14%	0.14	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.3	-176.3	0	0	0	0	0	111.1	P32 A37 F51 Q52	P32-A35 PolarHBondContact O-N 3.42Å; A35-A37 PolarHBondContact O-N 2.81Å; A35-F51 HydrophobicContact CB-CB 3.57Å; A35-F51 HydrophobicContact CB-CD1 4.19Å; A35-F51 HydrophobicContact CB-CG 4.37Å; A35-Q52 CarbonylContact C-O 3.36Å; A35-Q52 VanDerWaalsContact C-O 3.27Å; A35-Q52 WeakPolarHBondContact CA-O 3.04Å; A35-Q52 WeakPolarHBondContact CB-O 3.35Å
36	S	25.4	Very low	29.3	Very low	13 Å²	13	73 Å²	73	9%	0.091	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.2	-175.3	75	0	0	0	0	110.9	T38 Q52 E130 T132	S36-T38 PolarHBondContact O-N 3.1Å; S36-Q52 PolarHBondContact N-O 3.12Å; S36-Q52 WeakPolarHBondContact O-CB 3.01Å; S36-Q52 PolarHBondContact O-N 3.39Å; S36-E130 WeakPolarHBondContact CB-O 3.42Å; S36-T132 PolarHBondContact OG-N 3.34Å
37	A	22.4	Very low	28.7	Very low	45 Å²	45	78.7 Å²	78.7	37%	0.372	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	116.7	-176.6	0	0	0	0	0	111.3	A35 L49 Y50 E130	A35-A37 PolarHBondContact O-N 2.81Å; A37-L49 HydrophobicContact CB-CD2 4.44Å; A37-Y50 WeakPolarHBondContact CA-O 3.38Å; A37-E130 PolarHBondContact N-O 3.24Å
38	T	24.5	Very low	28.1	Very low	36 Å²	36	84.8 Å²	84.8	22%	0.221	49%	0.488	C	S	.	.			trans	-112.8	112.2	163.4	46.6	0	0	0	0	110.4	S36 V40 Y50 Q52 A131	S36-T38 PolarHBondContact O-N 3.1Å; T38-V40 PolarHBondContact O-N 3.46Å; T38-V40 VanDerWaalsContact O-N 3.13Å; T38-Y50 WeakPolarHBondContact O-CB 3.45Å; T38-Q52 WeakPolarHBondContact OG1-CG 3.3Å; T38-Q52 PolarHBondContact OG1-NE2 3.22Å; T38-Q52 PolarHBondContact OG1-OE1 3.17Å; T38-A131 HydrophobicContact CG2-CB 4.06Å
39	S	21.4	Very low	27.3	Very low	106 Å²	106	89.8 Å²	89.8	74%	0.741	52%	0.515	S	S	*	.			trans	-58.7	108.2	162.5	168.9	0	0	0	0	109.7
40	V	24.5	Very low	26.7	Very low	101 Å²	101	94.3 Å²	94.3	61%	0.612	53%	0.53	S	S	*	.			trans	-98.5	115.5	156.5	-179.6	0	0	0	0	106.4	T38 S42	T38-V40 PolarHBondContact O-N 3.46Å; T38-V40 VanDerWaalsContact O-N 3.13Å; V40-S42 PolarHBondContact O-N 3.18Å
41	R	21.8	Very low	26.6	Very low	241 Å²	241	97.7 Å²	97.7	91%	0.909	54%	0.542	S	S	*	.			trans	-67.2	91.9	173.1	-75.3	179.2	173.9	-179.2	-2.5	109
42	S	25.1	Very low	26.3	Very low	77 Å²	77	98.6 Å²	98.6	54%	0.538	55%	0.548	S	S	.	.			trans	-90.3	116.4	152	67.9	0	0	0	0	108	V40 K44	V40-S42 PolarHBondContact O-N 3.18Å; S42-K44 PolarHBondContact O-N 2.75Å
43	A	29.1	Very low	26.3	Very low	94 Å²	94	95.2 Å²	95.2	78%	0.777	53%	0.525	S	S	*	.	S	Bend	trans	-57	132.2	177.5	0	0	0	0	0	110.5
44	K	28.4	Very low	26.2	Very low	203 Å²	203	88.2 Å²	88.2	88%	0.883	49%	0.492	S	S	*	.	S	Bend	trans	78.4	66.8	171.5	-51.9	178.4	178.3	-179.6	0	116.5	S42	S42-K44 PolarHBondContact O-N 2.75Å
45	C	26.6	Very low	25.8	Very low	120 Å²	120	88.3 Å²	88.3	81%	0.811	49%	0.493	S	S	*	.	S	Bend	trans	-172.7	147.1	138.4	-98.1	0	0	0	0	107.8
46	S	25.6	Very low	25.7	Very low	106 Å²	106	87.6 Å²	87.6	74%	0.741	49%	0.488	S	S	*	.			trans	-49.3	146.6	-179.3	-70.4	0	0	0	0	112.4	I48	S46-I48 PolarHBondContact O-N 2.87Å
47	P	23.3	Very low	25.8	Very low	128 Å²	128	87.3 Å²	87.3	83%	0.831	49%	0.485	S	S	*	.			trans	-67.4	103.9	-169	26.7	-32.9	0	0	0	111.1
48	I	23.8	Very low	26	Very low	132 Å²	132	86.2 Å²	86.2	68%	0.677	47%	0.474	S	S	*	.			trans	-74.8	122.7	158	-63.3	168	0	0	0	105.7	S46 Y50	S46-I48 PolarHBondContact O-N 2.87Å; I48-Y50 WeakPolarHBondContact O-CD2 3.43Å; I48-Y50 PolarHBondContact O-N 3.07Å; I48-Y50 VanDerWaalsContact O-N 3.15Å
49	L	22.2	Very low	26	Very low	117 Å²	117	87.3 Å²	87.3	61%	0.613	48%	0.476	S	S	*	.			trans	-56.4	115.2	174.3	-88.1	137.8	0	0	0	109.3	A37 F51	A37-L49 HydrophobicContact CB-CD2 4.44Å; L49-F51 HydrophobicContact CB-CE2 3.87Å; L49-F51 HydrophobicContact CB-CZ 3.95Å; L49-F51 VanDerWaalsContact O-CD2 3.29Å; L49-F51 WeakPolarHBondContact O-CD2 3.49Å; L49-F51 WeakPolarHBondContact O-CE2 3.44Å
50	Y	25.7	Very low	26.1	Very low	117 Å²	117	89.3 Å²	89.3	46%	0.459	47%	0.472	S	S	.	.			trans	-83.7	113.2	174.3	-74.1	-83.4	0	0	0	109.5	A37 T38 I48	A37-Y50 WeakPolarHBondContact CA-O 3.38Å; T38-Y50 WeakPolarHBondContact O-CB 3.45Å; I48-Y50 WeakPolarHBondContact O-CD2 3.43Å; I48-Y50 PolarHBondContact O-N 3.07Å; I48-Y50 VanDerWaalsContact O-N 3.15Å
51	F	29	Very low	26.2	Very low	92 Å²	92	93.6 Å²	93.6	40%	0.404	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.6	179.2	-67	-78.3	0	0	0	109.9	P32 A35 L49 F287	P32-F51 HydrophobicContact CB-CD1 4.32Å; P32-F51 HydrophobicContact CB-CE1 4.14Å; P32-F51 VanDerWaalsContact O-CD1 3.28Å; P32-F51 WeakPolarHBondContact O-CD1 3.31Å; A35-F51 HydrophobicContact CB-CB 3.57Å; A35-F51 HydrophobicContact CB-CD1 4.19Å; A35-F51 HydrophobicContact CB-CG 4.37Å; L49-F51 HydrophobicContact CB-CE2 3.87Å; L49-F51 HydrophobicContact CB-CZ 3.95Å; L49-F51 VanDerWaalsContact O-CD2 3.29Å; L49-F51 WeakPolarHBondContact O-CD2 3.49Å; L49-F51 WeakPolarHBondContact O-CE2 3.44Å; F51-F287 WeakPolarHBondContact O-CZ 3.31Å
52	Q	24.4	Very low	26.3	Very low	67 Å²	67	85.9 Å²	85.9	31%	0.313	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.5	172.4	-69.5	-170.1	-33.6	0	0	112.6	A35 S36 T38 L54	A35-Q52 CarbonylContact C-O 3.36Å; A35-Q52 VanDerWaalsContact C-O 3.27Å; A35-Q52 WeakPolarHBondContact CA-O 3.04Å; A35-Q52 WeakPolarHBondContact CB-O 3.35Å; S36-Q52 PolarHBondContact N-O 3.12Å; S36-Q52 WeakPolarHBondContact O-CB 3.01Å; S36-Q52 PolarHBondContact O-N 3.39Å; T38-Q52 WeakPolarHBondContact OG1-CG 3.3Å; T38-Q52 PolarHBondContact OG1-NE2 3.22Å; T38-Q52 PolarHBondContact OG1-OE1 3.17Å; Q52-L54 PolarHBondContact O-N 2.96Å
53	I	30.6	Very low	26.7	Very low	14 Å²	14	87.7 Å²	87.7	7%	0.072	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.1	125.7	168.4	-60.7	167.5	0	0	0	110.4	P30 T55 F287 F293 F294	P30-I53 HydrophobicContact CG-CG1 4.45Å; P30-I53 HydrophobicContact CG-CG2 4.22Å; I53-T55 PolarHBondContact O-N 2.72Å; I53-F287 HydrophobicContact CD1-CE2 4.19Å; I53-F287 HydrophobicContact CG1-CE2 4.47Å; I53-F293 HydrophobicContact CD1-CB 4.26Å; I53-F294 HydrophobicContact CD1-CD2 4.31Å
54	L	29	Very low	26.5	Very low	17 Å²	17	92.5 Å²	92.5	9%	0.089	47%	0.472	C	S	.	.			trans	-63.8	91.6	175.6	-76.7	166.9	0	0	0	111.5	E34 Q52 S56 R127 T132	E34-L54 WeakPolarHBondContact O-CD1 3.03Å; E34-L54 VanDerWaalsContact O-CG 3.32Å; E34-L54 WeakPolarHBondContact O-CG 2.86Å; Q52-L54 PolarHBondContact O-N 2.96Å; L54-S56 PolarHBondContact O-N 2.86Å; L54-R127 HydrophobicContact CD1-CG 3.85Å; L54-T132 WeakPolarHBondContact CD2-OG1 3.5Å
55	T	28.6	Very low	26.6	Very low	11 Å²	11	89 Å²	89	7%	0.067	46%	0.461	C	S	.	.			trans	-86.2	86.9	164.6	72.2	0	0	0	0	108.9	I53 R134 M216 Y266 N283	I53-T55 PolarHBondContact O-N 2.72Å; T55-R134 PolarHBondContact O-NE 2.03Å; T55-R134 PolarHBondContact O-NH2 3.01Å; T55-R134 PolarHBondContact OG1-NH1 3.47Å; T55-R134 VanDerWaalsContact OG1-NH1 3.08Å; T55-R134 PolarHBondContact OG1-NH2 2.88Å; T55-M216 HydrophobicContact CG2-CE 3.21Å; T55-Y266 HydrophobicContact CG2-CE1 4.13Å; T55-Y266 WeakPolarHBondContact CG2-OH 3.2Å; T55-N283 PolarHBondContact OG1-OD1 2.86Å; T55-N283 VanDerWaalsContact OG1-OD1 3.12Å
56	S	27.5	Very low	26.7	Very low	3 Å²	3	94.2 Å²	94.2	2%	0.021	46%	0.464	C	S	.	.			trans	-117.6	116.4	-173.3	8.1	0	0	0	0	111.8	L54 D125 M216	L54-S56 PolarHBondContact O-N 2.86Å; S56-D125 WeakPolarHBondContact CA-OD2 3.43Å; S56-D125 WeakPolarHBondContact CB-OD2 3.33Å; S56-M216 CarbonylContact C-O 3.56Å; S56-M216 CarbonylContact O-C 3.58Å; S56-M216 PolarHBondContact O-N 2.74Å
57	V	27.6	Very low	26.9	Very low	6 Å²	6	97.5 Å²	97.5	4%	0.036	47%	0.467	C	S	.	.			trans	169.9	122.5	137.7	157.4	0	0	0	0	110.9	D125 M216 E217 F218 I224	V57-D125 WeakPolarHBondContact CA-OD2 3.46Å; V57-D125 PolarHBondContact N-OD2 3.25Å; V57-M216 PolarHBondContact N-O 2.8Å; V57-E217 HydrophobicContact CG1-CB 4.31Å; V57-E217 CarbonylContact O-C 3.55Å; V57-F218 WeakPolarHBondContact O-CA 3.49Å; V57-F218 WeakPolarHBondContact O-CB 3.25Å; V57-F218 PolarHBondContact O-N 2.94Å; V57-I224 HydrophobicContact CB-CD1 3.57Å; V57-I224 HydrophobicContact CG1-CD1 3.64Å; V57-I224 HydrophobicContact CG2-CD1 3.42Å; V57-I224 VanDerWaalsContact CG2-CD1 3.42Å
58	V	26.5	Very low	28	Very low	22 Å²	22	103 Å²	103	13%	0.133	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-102.7	126.8	160.6	-174.2	0	0	0	0	110.9	G137 K162 F218	V58-G137 WeakPolarHBondContact CB-O 3.38Å; V58-G137 WeakPolarHBondContact CG1-O 3.45Å; V58-G137 VanDerWaalsContact CG2-C 3.49Å; V58-G137 VanDerWaalsContact CG2-O 3.3Å; V58-G137 WeakPolarHBondContact CG2-O 3.19Å; V58-K162 PolarHBondContact O-NZ 2.88Å; V58-F218 HydrophobicContact CB-CB 4.47Å; V58-F218 HydrophobicContact CG2-CB 3.86Å; V58-F218 HydrophobicContact CG2-CD1 4.37Å; V58-F218 HydrophobicContact CG2-CD2 4.04Å; V58-F218 HydrophobicContact CG2-CG 3.85Å
59	Q	24.7	Very low	28.9	Very low	59 Å²	59	107.6 Å²	107.6	28%	0.276	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-91.1	120.4	154.4	-75.5	-172	-22.7	0	0	108.2	R61 S120	Q59-R61 PolarHBondContact O-N 3.38Å; Q59-S120 PolarHBondContact NE2-O 3.02Å; Q59-S120 VanDerWaalsContact NE2-O 3.14Å; Q59-S120 PolarHBondContact NE2-OG 2.86Å
60	K	24.2	Very low	29.9	Very low	148 Å²	148	107 Å²	107	64%	0.643	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-52.7	134.5	175.6	-113.5	179.6	175.8	-179	0	110.3
61	R	25.4	Very low	31.1	Very low	192 Å²	192	107.4 Å²	107.4	73%	0.725	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-69.9	130.2	151.3	-71.7	-177.5	-179.6	-179.4	0.5	107.2	Q59	Q59-R61 PolarHBondContact O-N 3.38Å
62	P	24.9	Very low	32.7	Very low	78 Å²	78	110.8 Å²	110.8	51%	0.506	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-57.6	129.3	154.5	-14.4	28.4	0	0	0	106.7	F64 I65	P62-F64 PolarHBondContact O-N 2.97Å; P62-F64 VanDerWaalsContact O-N 3.15Å; P62-I65 HydrophobicContact CB-CG1 4.47Å; P62-I65 HydrophobicContact CG-CD1 3.99Å; P62-I65 HydrophobicContact CG-CG1 4.41Å
63	P	32.5	Very low	35.6	Very low	115 Å²	115	116.4 Å²	116.4	75%	0.747	52%	0.523	S	S	*	.	S	Bend	trans	-60.5	124.1	167.7	27.5	-29	0	0	0	105.2
64	F	25.5	Very low	38.5	Very low	195 Å²	195	118.6 Å²	118.6	86%	0.855	53%	0.532	S	S	*	.			trans	79.9	69	-171.1	-53.7	-85.8	0	0	0	117	P62	P62-F64 PolarHBondContact O-N 2.97Å; P62-F64 VanDerWaalsContact O-N 3.15Å
65	I	29.9	Very low	41.7	Very low	130 Å²	130	121.5 Å²	121.5	67%	0.667	55%	0.545	S	S	*	.			trans	-121.8	87.2	139.3	-56.9	-179.6	0	0	0	108.5	P62 H67	P62-I65 HydrophobicContact CB-CG1 4.47Å; P62-I65 HydrophobicContact CG-CD1 3.99Å; P62-I65 HydrophobicContact CG-CG1 4.41Å; I65-H67 PolarHBondContact O-N 3Å
66	R	30.5	Very low	44.9	Very low	229 Å²	229	123.6 Å²	123.6	86%	0.864	56%	0.56	S	S	*	*			trans	-62.2	109.9	148.8	-85	177.8	165.7	171.2	-4.1	106.2
67	H	29.8	Very low	48.3	Very low	176 Å²	176	123.5 Å²	123.5	82%	0.815	56%	0.559	S	S	*	*			trans	-177.4	125.1	132.8	-95	-63.9	0	0	0	112.2	I65 R69	I65-H67 PolarHBondContact O-N 3Å; H67-R69 PolarHBondContact O-N 2.98Å
68	R	46.3	Very low	51.6	Low	243 Å²	243	125.2 Å²	125.2	92%	0.917	57%	0.565	S	S	*	*	S	Bend	trans	-91.2	29	-155.9	-163.3	177.9	178.8	179.5	-0.7	114.9
69	R	41.2	Very low	55	Low	228 Å²	228	124.5 Å²	124.5	86%	0.86	56%	0.561	S	S	*	*	S	Bend	trans	-142.4	-29.2	-175.9	-98.1	177.7	176.9	160.3	-2.3	118.9	H67	H67-R69 PolarHBondContact O-N 2.98Å
70	S	44	Very low	58.5	Low	106 Å²	106	123.8 Å²	123.8	74%	0.741	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-77.1	-28.4	-174.5	73.6	0	0	0	0	114.6	K72 R73	S70-K72 PolarHBondContact O-N 2.04Å; S70-R73 PolarHBondContact O-N 3.31Å
71	K	50.9	Low	62	Low	124 Å²	124	117.9 Å²	117.9	54%	0.539	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-63.8	-3.9	177.4	-79	-163.9	168.1	-156.5	0	115.5	E219	K71-E219 IonicContact NZ-OE1 2.77Å; K71-E219 IonicContact NZ-OE2 3.18Å; K71-E219 PolarHBondContact NZ-OE2 3.44Å
72	K	63.2	Low	65.5	Low	164 Å²	164	112.3 Å²	112.3	71%	0.713	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-92.4	-10.8	-178.8	-71	-165.9	175.6	-166.8	0	114.3	S70	S70-K72 PolarHBondContact O-N 2.04Å
73	R	85	Confident	68.9	Low	185 Å²	185	110.3 Å²	110.3	70%	0.698	50%	0.5	S	S	*	.			trans	-85.2	124.3	-174.4	-161.7	172.5	-176.2	174.7	0.7	110.7	S70 H75	S70-R73 PolarHBondContact O-N 3.31Å; R73-H75 PolarHBondContact O-CD2 3.36Å
74	F	92.1	Very high	71.9	Confident	60 Å²	60	105.4 Å²	105.4	26%	0.263	47%	0.468	S	S	.	.			trans	-78.4	138	169.3	-76.6	-100.7	0	0	0	109.3	S114 V115 R116 K394	F74-S114 WeakPolarHBondContact CD1-O 3.27Å; F74-V115 WeakPolarHBondContact CA-O 3.34Å; F74-R116 HydrophobicContact CE1-CG 4.41Å; F74-R116 HydrophobicContact CE2-CG 4.43Å; F74-R116 HydrophobicContact CZ-CG 4.32Å; F74-K394 HydrophobicContact CB-CB 4.4Å; F74-K394 HydrophobicContact CD1-CB 3.7Å; F74-K394 HydrophobicContact CE1-CB 4.05Å; F74-K394 HydrophobicContact CG-CB 4Å
75	H	94.8	Very high	75.3	Confident	77 Å²	77	99.9 Å²	99.9	36%	0.356	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.5	173.7	-64.3	-89.2	0	0	0	108.8	R73 L77 S114 V115 R117	R73-H75 PolarHBondContact O-CD2 3.36Å; H75-L77 PolarHBondContact O-N 3.41Å; H75-S114 CarbonylContact O-C 3.52Å; H75-S114 WeakPolarHBondContact O-CA 3.03Å; H75-S114 VanDerWaalsContact O-CB 3.26Å; H75-S114 WeakPolarHBondContact O-CB 3.49Å; H75-V115 PolarHBondContact N-O 3.03Å; H75-V115 PolarHBondContact O-N 3.48Å; H75-R117 HydrophobicContact CB-CG 4.03Å
76	S	96.7	Very high	78.4	Confident	56 Å²	56	93.9 Å²	93.9	39%	0.392	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.7	131.3	173.3	166.1	0	0	0	0	110.8	Q110	S76-Q110 PolarHBondContact OG-O 3.21Å
77	L	97.7	Very high	81.5	Confident	0 Å²	0	83 Å²	83	0%	0	38%	0.382	C	S	.	.			trans	-59.3	144.1	178	175.1	65.2	0	0	0	109.4	H75 I79 Q110 L113 V115 D189 L257 Y393	H75-L77 PolarHBondContact O-N 3.41Å; L77-I79 HydrophobicContact CD2-CD1 3.84Å; L77-I79 HydrophobicContact CD2-CG1 3.86Å; L77-I79 HydrophobicContact CG-CD1 4.41Å; L77-I79 HydrophobicContact CG-CG1 3.91Å; L77-Q110 VanDerWaalsContact O-CB 3.24Å; L77-Q110 WeakPolarHBondContact O-CB 3.49Å; L77-Q110 WeakPolarHBondContact O-CG 3.5Å; L77-L113 HydrophobicContact CB-CB 4.43Å; L77-L113 VanDerWaalsContact CB-O 3.24Å; L77-L113 WeakPolarHBondContact CB-O 3.18Å; L77-L113 HydrophobicContact CD2-CB 4.14Å; L77-L113 HydrophobicContact CD2-CD1 4.35Å; L77-L113 PolarHBondContact N-O 3.01Å; L77-V115 HydrophobicContact CB-CG1 4.32Å; L77-V115 HydrophobicContact CD1-CB 4.05Å; L77-V115 HydrophobicContact CD1-CG1 3.76Å; L77-D189 HydrophobicContact CD1-CB 3.96Å; L77-L257 HydrophobicContact CD2-CD1 4.27Å; L77-L257 HydrophobicContact CD2-CD2 4.16Å; L77-Y393 HydrophobicContact CD1-CE1 4.15Å; L77-Y393 HydrophobicContact CD2-CE1 4.16Å
78	R	97.6	Very high	84.5	Confident	42 Å²	42	81 Å²	81	16%	0.158	37%	0.371	C	S	.	.			trans	-117.5	111.8	175.2	-58.1	172.5	-61.8	171.8	10.1	109.6	N187 D189 F190	R78-N187 WeakPolarHBondContact CB-O 3.15Å; R78-N187 WeakPolarHBondContact CD-O 3.03Å; R78-N187 PolarHBondContact NE-O 3.42Å; R78-N187 VanDerWaalsContact NH1-CA 3.31Å; R78-N187 PolarHBondContact NH1-OD1 2.97Å; R78-D189 WeakPolarHBondContact CB-OD2 3.41Å; R78-D189 IonicContact CZ-OD1 2.75Å; R78-D189 IonicContact CZ-OD2 2.75Å; R78-D189 PolarHBondContact N-OD2 2.92Å; R78-D189 IonicContact NE-OD1 2.72Å; R78-D189 IonicContact NE-OD2 3.25Å; R78-D189 PolarHBondContact NE-OD2 2.92Å; R78-D189 IonicContact NH2-OD1 3.76Å; R78-D189 PolarHBondContact NH2-OD1 3.12Å; R78-D189 IonicContact NH2-OD2 3.46Å; R78-D189 PolarHBondContact NH2-OD2 2.94Å; R78-D189 PolarHBondContact O-N 3.17Å; R78-F190 PolarHBondContact O-N 3.4Å
79	I	98.4	Very high	86.8	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.036	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.9	178.5	-56.4	178	0	0	0	107.6	L77 C106 W109 Q110 F190 L192 I253 L257	L77-I79 HydrophobicContact CD2-CD1 3.84Å; L77-I79 HydrophobicContact CD2-CG1 3.86Å; L77-I79 HydrophobicContact CG-CD1 4.41Å; L77-I79 HydrophobicContact CG-CG1 3.91Å; I79-C106 HydrophobicContact CB-CB 4.13Å; I79-C106 HydrophobicContact CG2-CB 4Å; I79-C106 VanDerWaalsContact CG2-SG 3.55Å; I79-W109 HydrophobicContact CD1-CB 3.8Å; I79-Q110 HydrophobicContact CB-CG 4.17Å; I79-Q110 HydrophobicContact CD1-CG 4.34Å; I79-Q110 HydrophobicContact CG1-CG 4.03Å; I79-Q110 PolarHBondContact O-OE1 2.71Å; I79-F190 VanDerWaalsContact CA-O 3.32Å; I79-F190 WeakPolarHBondContact CA-O 3.44Å; I79-F190 HydrophobicContact CG2-CD1 4.16Å; I79-L192 HydrophobicContact CG2-CB 4.35Å; I79-I253 HydrophobicContact CD1-CG2 4.25Å; I79-L257 HydrophobicContact CD1-CD1 4.11Å; I79-L257 HydrophobicContact CD1-CD2 4.5Å
80	T	98	Very high	89.3	Confident	45 Å²	45	64.7 Å²	64.7	28%	0.276	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.1	176.3	-57.9	0	0	0	0	109	I185 T188 F190 I191 L192	T80-I185 HydrophobicContact CG2-CG2 4.35Å; T80-T188 WeakPolarHBondContact OG1-CG2 3.47Å; T80-T188 PolarHBondContact OG1-OG1 3.38Å; T80-F190 PolarHBondContact N-O 2.78Å; T80-I191 WeakPolarHBondContact O-CA 3.4Å; T80-I191 WeakPolarHBondContact O-CG1 3.13Å; T80-L192 PolarHBondContact O-N 3.39Å
81	P	97.8	Very high	91.8	Very high	24 Å²	24	63.7 Å²	63.7	16%	0.156	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.2	171.8	29.4	-31	0	0	0	110.4	F83 V102 N103 L192	P81-F83 HydrophobicContact CB-CE2 4.16Å; P81-F83 HydrophobicContact CB-CZ 4.13Å; P81-F83 HydrophobicContact CG-CE2 4.31Å; P81-F83 HydrophobicContact CG-CZ 4.46Å; P81-V102 HydrophobicContact CB-CG1 3.83Å; P81-N103 VanDerWaalsContact CG-OD1 3.23Å; P81-N103 WeakPolarHBondContact CG-OD1 3.41Å; P81-L192 CarbonylContact C-O 3.45Å; P81-L192 WeakPolarHBondContact CA-O 3.5Å
82	Y	97.7	Very high	93.9	Very high	74 Å²	74	61.4 Å²	61.4	29%	0.29	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118	170	175.6	-86.9	0	0	0	108.3	P157 H160 L192 Y193 V194	Y82-P157 HydrophobicContact CD2-CG 4.46Å; Y82-P157 HydrophobicContact CE1-CG 4.03Å; Y82-P157 HydrophobicContact CE2-CG 3.65Å; Y82-P157 WeakPolarHBondContact OH-CG 3.24Å; Y82-H160 AromaticContact CD2-CE1 3.67Å; Y82-L192 PolarHBondContact N-O 3.39Å; Y82-Y193 AromaticContact CD1-CD1 3.48Å; Y82-Y193 HydrophobicContact CD1-CD1 3.48Å; Y82-Y193 VanDerWaalsContact CD1-CD1 3.48Å; Y82-Y193 AromaticContact CD1-CE1 3.81Å; Y82-Y193 HydrophobicContact CD1-CE1 3.81Å; Y82-Y193 HydrophobicContact CE1-CD1 4.23Å; Y82-Y193 HydrophobicContact CE1-CE1 4.42Å; Y82-Y193 HydrophobicContact CG-CD1 4.04Å; Y82-Y193 HydrophobicContact CG-CE1 4.07Å; Y82-V194 PolarHBondContact O-N 2.98Å
83	F	97.5	Very high	95.3	Very high	37 Å²	37	60.1 Å²	60.1	16%	0.162	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	115.5	-178.9	-60.9	-81.2	0	0	0	110.5	P81 V87 E99 V102 V194	P81-F83 HydrophobicContact CB-CE2 4.16Å; P81-F83 HydrophobicContact CB-CZ 4.13Å; P81-F83 HydrophobicContact CG-CE2 4.31Å; P81-F83 HydrophobicContact CG-CZ 4.46Å; F83-V87 HydrophobicContact CB-CB 4.42Å; F83-V87 HydrophobicContact CD1-CG1 4.17Å; F83-V87 HydrophobicContact CD1-CG2 4.39Å; F83-E99 HydrophobicContact CD1-CG 3.96Å; F83-E99 HydrophobicContact CD2-CG 4.26Å; F83-E99 HydrophobicContact CE1-CB 4.25Å; F83-E99 HydrophobicContact CE1-CG 3.92Å; F83-E99 HydrophobicContact CE2-CB 4.39Å; F83-E99 HydrophobicContact CE2-CG 4.23Å; F83-E99 HydrophobicContact CG-CG 4.13Å; F83-E99 HydrophobicContact CZ-CB 4.05Å; F83-E99 HydrophobicContact CZ-CG 4.06Å; F83-V102 HydrophobicContact CE1-CB 3.89Å; F83-V102 HydrophobicContact CE1-CG1 3.83Å; F83-V102 HydrophobicContact CE1-CG2 4.17Å; F83-V102 HydrophobicContact CZ-CB 3.94Å; F83-V102 HydrophobicContact CZ-CG1 3.78Å; F83-V194 HydrophobicContact CD1-CB 3.92Å; F83-V194 HydrophobicContact CD1-CG1 4.06Å; F83-V194 HydrophobicContact CE1-CB 4.21Å; F83-V194 HydrophobicContact CE1-CG1 4.19Å; F83-V194 HydrophobicContact CE1-CG2 4.47Å
84	D	96	Very high	95.7	Very high	11 Å²	11	54.5 Å²	54.5	6%	0.059	29%	0.291	C	S	.	.			trans	-63.3	157.4	174.5	176.7	60.7	0	0	0	111.7	S86 V87 A154 V194	D84-S86 PolarHBondContact O-N 2.99Å; D84-S86 VanDerWaalsContact O-N 3.11Å; D84-S86 WeakPolarHBondContact OD2-CB 3.29Å; D84-S86 PolarHBondContact OD2-N 3.07Å; D84-S86 PolarHBondContact OD2-OG 2.73Å; D84-V87 WeakPolarHBondContact O-CB 3.23Å; D84-V87 PolarHBondContact O-N 2.91Å; D84-A154 HydrophobicContact CB-CB 4.14Å; D84-V194 WeakPolarHBondContact CB-O 3.38Å; D84-V194 PolarHBondContact N-O 2.85Å
85	S	95.3	Very high	95.9	Very high	80 Å²	80	55.2 Å²	55.2	56%	0.559	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-53	-31.1	177.2	65.3	0	0	0	0	113.9	V87 K88	S85-V87 VanDerWaalsContact C-N 3.3Å; S85-V87 PolarHBondContact O-N 3.09Å; S85-K88 VanDerWaalsContact O-CB 3.31Å; S85-K88 WeakPolarHBondContact O-CB 3.4Å; S85-K88 PolarHBondContact O-N 3.06Å
86	S	95.5	Very high	95.9	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.028	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.6	-36.2	175.7	57.1	0	0	0	0	113.5	D84 K88 T89 S195 S196 L197	D84-S86 PolarHBondContact O-N 2.99Å; D84-S86 VanDerWaalsContact O-N 3.11Å; D84-S86 WeakPolarHBondContact OD2-CB 3.29Å; D84-S86 PolarHBondContact OD2-N 3.07Å; D84-S86 PolarHBondContact OD2-OG 2.73Å; S86-K88 PolarHBondContact O-N 2.99Å; S86-T89 WeakPolarHBondContact O-CB 3.39Å; S86-T89 PolarHBondContact O-N 2.7Å; S86-T89 VanDerWaalsContact O-N 3.07Å; S86-T89 PolarHBondContact O-OG1 2.97Å; S86-S195 WeakPolarHBondContact OG-CA 3.44Å; S86-S195 WeakPolarHBondContact OG-CB 3.48Å; S86-S196 PolarHBondContact OG-N 3.13Å; S86-L197 VanDerWaalsContact CB-CD2 3.43Å
87	V	95.9	Very high	95.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-64.2	-32.9	176.4	-179.9	0	0	0	0	110.8	F83 D84 S85 T89 L90 R95 V98 E99 V194	F83-V87 HydrophobicContact CB-CB 4.42Å; F83-V87 HydrophobicContact CD1-CG1 4.17Å; F83-V87 HydrophobicContact CD1-CG2 4.39Å; D84-V87 WeakPolarHBondContact O-CB 3.23Å; D84-V87 PolarHBondContact O-N 2.91Å; S85-V87 VanDerWaalsContact C-N 3.3Å; S85-V87 PolarHBondContact O-N 3.09Å; V87-T89 PolarHBondContact O-N 2.97Å; V87-L90 HydrophobicContact CG1-CD1 4.48Å; V87-L90 WeakPolarHBondContact O-CB 3.44Å; V87-L90 PolarHBondContact O-N 3.35Å; V87-R95 HydrophobicContact CG1-CG 4.28Å; V87-V98 HydrophobicContact CG1-CG1 4.18Å; V87-E99 HydrophobicContact CG1-CG 4.33Å; V87-V194 HydrophobicContact CG2-CG1 4.32Å; V87-V194 WeakPolarHBondContact CG2-O 3.46Å
88	K	93	Very high	95.6	Very high	134 Å²	134	53.8 Å²	53.8	58%	0.583	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.4	177.8	-56.3	-179.9	-177.9	174.6	0	113.2	S85 S86 L90	S85-K88 VanDerWaalsContact O-CB 3.31Å; S85-K88 WeakPolarHBondContact O-CB 3.4Å; S85-K88 PolarHBondContact O-N 3.06Å; S86-K88 PolarHBondContact O-N 2.99Å; K88-L90 VanDerWaalsContact C-N 3.34Å
89	T	94.4	Very high	95.5	Very high	113 Å²	113	54.3 Å²	54.3	69%	0.693	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-81.4	-14.6	177.2	74.2	0	0	0	0	113.1	S86 V87	S86-T89 WeakPolarHBondContact O-CB 3.39Å; S86-T89 PolarHBondContact O-N 2.7Å; S86-T89 VanDerWaalsContact O-N 3.07Å; S86-T89 PolarHBondContact O-OG1 2.97Å; V87-T89 PolarHBondContact O-N 2.97Å
90	L	94.8	Very high	95.4	Very high	15 Å²	15	57.1 Å²	57.1	8%	0.079	30%	0.304	C	S	.	.	S	Bend	trans	-66.4	148.7	174.5	-65.6	173.4	0	0	0	111.3	V87 K88 K94 R95 V98 P232	V87-L90 HydrophobicContact CG1-CD1 4.48Å; V87-L90 WeakPolarHBondContact O-CB 3.44Å; V87-L90 PolarHBondContact O-N 3.35Å; K88-L90 VanDerWaalsContact C-N 3.34Å; L90-K94 HydrophobicContact CB-CB 4.39Å; L90-R95 HydrophobicContact CB-CB 4.11Å; L90-V98 HydrophobicContact CD1-CG2 4.15Å; L90-P232 HydrophobicContact CD2-CB 4.21Å
91	P	95.2	Very high	95.3	Very high	85 Å²	85	56 Å²	56	55%	0.552	30%	0.296	S	S	*	.			trans	-51.2	145.4	168.4	-25.4	34.3	0	0	0	111.4	E93 K94 R95	P91-E93 VanDerWaalsContact C-N 3.26Å; P91-E93 PolarHBondContact O-N 2.95Å; P91-E93 VanDerWaalsContact O-N 3.12Å; P91-K94 HydrophobicContact CG-CD 4.5Å; P91-K94 PolarHBondContact O-N 2.97Å; P91-R95 PolarHBondContact O-N 2.75Å
92	S	94.5	Very high	95.3	Very high	76 Å²	76	54.9 Å²	54.9	53%	0.531	29%	0.288	S	S	.	.	H	α-helix	trans	-55.6	-38.9	-167.9	-50.5	0	0	0	0	113.9	N96	S92-N96 WeakPolarHBondContact O-CB 3.31Å; S92-N96 PolarHBondContact O-N 2.79Å; S92-N96 PolarHBondContact O-ND2 2.82Å; S92-N96 PolarHBondContact O-OD1 2.87Å
93	E	93.3	Very high	95.3	Very high	138 Å²	138	54.2 Å²	54.2	65%	0.645	29%	0.29	S	S	*	.	H	α-helix	trans	-62.3	-52.8	176.1	-171.9	-175.6	-178.6	0	0	111.9	P91 R95 N96 F97 A237	P91-E93 VanDerWaalsContact C-N 3.26Å; P91-E93 PolarHBondContact O-N 2.95Å; P91-E93 VanDerWaalsContact O-N 3.12Å; E93-R95 VanDerWaalsContact C-N 3.35Å; E93-R95 PolarHBondContact O-N 2.78Å; E93-N96 PolarHBondContact O-N 2.78Å; E93-F97 WeakPolarHBondContact O-CB 3.49Å; E93-F97 PolarHBondContact O-N 2.88Å; E93-A237 HydrophobicContact CG-CB 3.68Å
94	K	94.2	Very high	95.2	Very high	67 Å²	67	56.7 Å²	56.7	29%	0.291	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-40.4	177.2	-69.7	-169.5	179.8	-159.7	0	112.4	L90 P91 F97 V98 V235	L90-K94 HydrophobicContact CB-CB 4.39Å; P91-K94 HydrophobicContact CG-CD 4.5Å; P91-K94 PolarHBondContact O-N 2.97Å; K94-F97 PolarHBondContact O-N 2.83Å; K94-V98 WeakPolarHBondContact O-CG2 3.02Å; K94-V98 PolarHBondContact O-N 3.3Å; K94-V235 HydrophobicContact CB-CG1 3.74Å; K94-V235 HydrophobicContact CD-CB 4.28Å; K94-V235 HydrophobicContact CD-CG1 4.07Å; K94-V235 WeakPolarHBondContact CD-O 3.49Å; K94-V235 WeakPolarHBondContact CE-O 3.46Å; K94-V235 HydrophobicContact CG-CG1 4.04Å; K94-V235 PolarHBondContact NZ-O 2.86Å
95	R	95.7	Very high	95.3	Very high	75 Å²	75	56.2 Å²	56.2	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-52.2	176.2	-177.7	-178.5	66.6	-170.7	-0.4	111.2	V87 L90 P91 E93 F97 V98 E99	V87-R95 HydrophobicContact CG1-CG 4.28Å; L90-R95 HydrophobicContact CB-CB 4.11Å; P91-R95 PolarHBondContact O-N 2.75Å; E93-R95 VanDerWaalsContact C-N 3.35Å; E93-R95 PolarHBondContact O-N 2.78Å; R95-F97 PolarHBondContact O-N 2.81Å; R95-V98 PolarHBondContact O-N 3.43Å; R95-E99 HydrophobicContact CG-CG 4.39Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.31Å
96	N	94.9	Very high	95.5	Very high	85 Å²	85	52.5 Å²	52.5	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-39.2	179.7	-69.3	-5.1	0	0	0	110.9	S92 E93 T100	S92-N96 WeakPolarHBondContact O-CB 3.31Å; S92-N96 PolarHBondContact O-N 2.79Å; S92-N96 PolarHBondContact O-ND2 2.82Å; S92-N96 PolarHBondContact O-OD1 2.87Å; E93-N96 PolarHBondContact O-N 2.78Å; N96-T100 VanDerWaalsContact O-CB 3.23Å; N96-T100 WeakPolarHBondContact O-CB 3.48Å; N96-T100 PolarHBondContact O-N 3.06Å; N96-T100 PolarHBondContact O-OG1 2.89Å
97	F	92.8	Very high	95.6	Very high	16 Å²	16	57.1 Å²	57.1	7%	0.07	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-50.8	174.4	178.5	-92.2	0	0	0	111.9	E93 K94 R95 T100 N101 S236 A237 H242 L245 M249	E93-F97 WeakPolarHBondContact O-CB 3.49Å; E93-F97 PolarHBondContact O-N 2.88Å; K94-F97 PolarHBondContact O-N 2.83Å; R95-F97 PolarHBondContact O-N 2.81Å; F97-T100 PolarHBondContact O-N 2.83Å; F97-N101 VanDerWaalsContact CD2-ND2 3.28Å; F97-N101 WeakPolarHBondContact CD2-ND2 3.47Å; F97-N101 WeakPolarHBondContact CE2-ND2 3.19Å; F97-N101 WeakPolarHBondContact CZ-ND2 3.33Å; F97-N101 WeakPolarHBondContact O-CB 3.01Å; F97-N101 PolarHBondContact O-N 3.11Å; F97-N101 PolarHBondContact O-ND2 2.97Å; F97-S236 WeakPolarHBondContact CE1-O 3.33Å; F97-A237 HydrophobicContact CB-CB 4.19Å; F97-A237 HydrophobicContact CG-CB 4.35Å; F97-H242 AromaticContact CD2-CD2 3.96Å; F97-H242 AromaticContact CD2-NE2 3.82Å; F97-H242 HydrophobicContact CE2-CB 4.19Å; F97-H242 AromaticContact CE2-CD2 3.18Å; F97-H242 WeakPolarHBondContact CE2-CD2 3.28Å; F97-H242 AromaticContact CE2-CE1 4Å; F97-H242 AromaticContact CE2-CG 3.56Å; F97-H242 AromaticContact CE2-NE2 3.5Å; F97-H242 HydrophobicContact CZ-CB 4.44Å; F97-H242 AromaticContact CZ-CD2 3.84Å; F97-L245 HydrophobicContact CE1-CB 3.98Å; F97-L245 HydrophobicContact CE1-CD1 3.73Å; F97-L245 HydrophobicContact CZ-CB 4.19Å; F97-L245 HydrophobicContact CZ-CD1 4.28Å; F97-M249 HydrophobicContact CE1-CE 4.23Å
98	V	95.3	Very high	95.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-51.8	177.7	166.9	0	0	0	0	111	V87 L90 K94 R95 T100 N101 V102 I230 V235 M249	V87-V98 HydrophobicContact CG1-CG1 4.18Å; L90-V98 HydrophobicContact CD1-CG2 4.15Å; K94-V98 WeakPolarHBondContact O-CG2 3.02Å; K94-V98 PolarHBondContact O-N 3.3Å; R95-V98 PolarHBondContact O-N 3.43Å; V98-T100 VanDerWaalsContact C-N 3.32Å; V98-T100 PolarHBondContact O-N 3.03Å; V98-N101 PolarHBondContact O-N 2.62Å; V98-V102 HydrophobicContact CG1-CG2 4.19Å; V98-V102 WeakPolarHBondContact O-CB 2.96Å; V98-V102 WeakPolarHBondContact O-CG2 3.4Å; V98-V102 PolarHBondContact O-N 3.24Å; V98-I230 HydrophobicContact CG1-CD1 3.85Å; V98-I230 HydrophobicContact CG2-CD1 4.42Å; V98-V235 HydrophobicContact CG2-CG1 3.62Å; V98-V235 HydrophobicContact CG2-CG2 4.16Å; V98-M249 HydrophobicContact CG2-CE 4.47Å
99	E	96.5	Very high	95.9	Very high	54 Å²	54	52.9 Å²	52.9	25%	0.252	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-43.3	-177.9	-71.5	178.1	-177.9	0	0	111.7	F83 V87 R95 N103	F83-E99 HydrophobicContact CD1-CG 3.96Å; F83-E99 HydrophobicContact CD2-CG 4.26Å; F83-E99 HydrophobicContact CE1-CB 4.25Å; F83-E99 HydrophobicContact CE1-CG 3.92Å; F83-E99 HydrophobicContact CE2-CB 4.39Å; F83-E99 HydrophobicContact CE2-CG 4.23Å; F83-E99 HydrophobicContact CG-CG 4.13Å; F83-E99 HydrophobicContact CZ-CB 4.05Å; F83-E99 HydrophobicContact CZ-CG 4.06Å; V87-E99 HydrophobicContact CG1-CG 4.33Å; R95-E99 HydrophobicContact CG-CG 4.39Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.31Å; E99-N103 PolarHBondContact O-N 2.89Å; E99-N103 PolarHBondContact O-ND2 3.02Å
100	T	95.4	Very high	96.1	Very high	66 Å²	66	49.8 Å²	49.8	41%	0.405	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-49.8	179.2	-57.8	0	0	0	0	111.6	N96 F97 V98 N103 H104	N96-T100 VanDerWaalsContact O-CB 3.23Å; N96-T100 WeakPolarHBondContact O-CB 3.48Å; N96-T100 PolarHBondContact O-N 3.06Å; N96-T100 PolarHBondContact O-OG1 2.89Å; F97-T100 PolarHBondContact O-N 2.83Å; V98-T100 VanDerWaalsContact C-N 3.32Å; V98-T100 PolarHBondContact O-N 3.03Å; T100-N103 WeakPolarHBondContact O-CB 3.43Å; T100-N103 PolarHBondContact O-N 3.35Å; T100-H104 PolarHBondContact O-N 3.03Å
101	N	95.1	Very high	96.3	Very high	21 Å²	21	53 Å²	53	11%	0.112	28%	0.275	C	S	.	.	H	α-helix	trans	-72.6	-33.3	-174.7	-77.7	-76.5	0	0	0	113	F97 V98 N103 H104 A105 F246 M249	F97-N101 VanDerWaalsContact CD2-ND2 3.28Å; F97-N101 WeakPolarHBondContact CD2-ND2 3.47Å; F97-N101 WeakPolarHBondContact CE2-ND2 3.19Å; F97-N101 WeakPolarHBondContact CZ-ND2 3.33Å; F97-N101 WeakPolarHBondContact O-CB 3.01Å; F97-N101 PolarHBondContact O-N 3.11Å; F97-N101 PolarHBondContact O-ND2 2.97Å; V98-N101 PolarHBondContact O-N 2.62Å; N101-N103 VanDerWaalsContact C-N 3.31Å; N101-N103 PolarHBondContact O-N 2.69Å; N101-H104 PolarHBondContact O-N 3.35Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.19Å; N101-A105 PolarHBondContact O-N 2.81Å; N101-F246 HydrophobicContact CB-CD2 4.14Å; N101-M249 VanDerWaalsContact C-SD 3.56Å; N101-M249 HydrophobicContact CB-CE 3.91Å; N101-M249 HydrophobicContact CB-SD 3.45Å; N101-M249 WeakPolarHBondContact CB-SD 3.42Å
102	V	97.7	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-43.8	170.8	167.2	0	0	0	0	110.6	P81 F83 V98 A105 C106 L192 V194 M228 I230 M249	P81-V102 HydrophobicContact CB-CG1 3.83Å; F83-V102 HydrophobicContact CE1-CB 3.89Å; F83-V102 HydrophobicContact CE1-CG1 3.83Å; F83-V102 HydrophobicContact CE1-CG2 4.17Å; F83-V102 HydrophobicContact CZ-CB 3.94Å; F83-V102 HydrophobicContact CZ-CG1 3.78Å; V98-V102 HydrophobicContact CG1-CG2 4.19Å; V98-V102 WeakPolarHBondContact O-CB 2.96Å; V98-V102 WeakPolarHBondContact O-CG2 3.4Å; V98-V102 PolarHBondContact O-N 3.24Å; V102-A105 PolarHBondContact O-N 3.24Å; V102-C106 PolarHBondContact O-N 3.5Å; V102-C106 PolarHBondContact O-SG 3.41Å; V102-L192 HydrophobicContact CG1-CD2 4.4Å; V102-V194 HydrophobicContact CG1-CG2 3.92Å; V102-V194 HydrophobicContact CG2-CG1 4.28Å; V102-M228 HydrophobicContact CG1-CE 4.47Å; V102-M228 HydrophobicContact CG2-CE 3.72Å; V102-I230 HydrophobicContact CG2-CD1 4.38Å; V102-M249 HydrophobicContact CB-SD 4.46Å; V102-M249 HydrophobicContact CG2-CE 4.48Å; V102-M249 HydrophobicContact CG2-CG 4.27Å; V102-M249 HydrophobicContact CG2-SD 3.66Å; V102-M249 PolarHBondContact N-SD 3.07Å
103	N	97.9	Very high	96.7	Very high	61 Å²	61	45.4 Å²	45.4	33%	0.326	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-44.9	177.2	-80.8	-57.5	0	0	0	111.6	P81 E99 T100 N101 A105 C106 Q107	P81-N103 VanDerWaalsContact CG-OD1 3.23Å; P81-N103 WeakPolarHBondContact CG-OD1 3.41Å; E99-N103 PolarHBondContact O-N 2.89Å; E99-N103 PolarHBondContact O-ND2 3.02Å; T100-N103 WeakPolarHBondContact O-CB 3.43Å; T100-N103 PolarHBondContact O-N 3.35Å; N101-N103 VanDerWaalsContact C-N 3.31Å; N101-N103 PolarHBondContact O-N 2.69Å; N103-A105 VanDerWaalsContact C-N 3.34Å; N103-A105 PolarHBondContact O-N 2.72Å; N103-C106 WeakPolarHBondContact O-CB 3.37Å; N103-C106 PolarHBondContact O-N 3.28Å; N103-Q107 VanDerWaalsContact O-CG 3.29Å; N103-Q107 WeakPolarHBondContact O-CG 3.47Å; N103-Q107 PolarHBondContact O-N 2.93Å
104	H	97.1	Very high	96.9	Very high	89 Å²	89	40.4 Å²	40.4	41%	0.412	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-38.7	175.2	-67.4	167.4	0	0	0	112.4	T100 N101 Q107 F108 F246	T100-H104 PolarHBondContact O-N 3.03Å; N101-H104 PolarHBondContact O-N 3.35Å; H104-Q107 WeakPolarHBondContact O-CB 3.27Å; H104-Q107 PolarHBondContact O-N 3.21Å; H104-F108 PolarHBondContact O-N 2.98Å; H104-F246 HydrophobicContact CB-CD2 4.48Å; H104-F246 HydrophobicContact CB-CE2 3.55Å; H104-F246 HydrophobicContact CB-CZ 4.09Å
105	A	97.8	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.2	-39.3	179.4	0	0	0	0	0	110.8	N101 V102 N103 F108 W109 F246 M249 K250 I253	N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.19Å; N101-A105 PolarHBondContact O-N 2.81Å; V102-A105 PolarHBondContact O-N 3.24Å; N103-A105 VanDerWaalsContact C-N 3.34Å; N103-A105 PolarHBondContact O-N 2.72Å; A105-F108 PolarHBondContact O-N 3.36Å; A105-W109 VanDerWaalsContact O-CD1 3.28Å; A105-W109 PolarHBondContact O-N 2.94Å; A105-F246 HydrophobicContact CB-CD2 4.38Å; A105-F246 HydrophobicContact CB-CE2 3.92Å; A105-M249 HydrophobicContact CB-CB 3.97Å; A105-K250 HydrophobicContact CB-CG 3.78Å; A105-I253 HydrophobicContact CB-CD1 3.72Å
106	C	98.4	Very high	96.7	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-49	169.2	-67.1	0	0	0	0	110.7	I79 V102 N103 F108 W109 Q110	I79-C106 HydrophobicContact CB-CB 4.13Å; I79-C106 HydrophobicContact CG2-CB 4Å; I79-C106 VanDerWaalsContact CG2-SG 3.55Å; V102-C106 PolarHBondContact O-N 3.5Å; V102-C106 PolarHBondContact O-SG 3.41Å; N103-C106 WeakPolarHBondContact O-CB 3.37Å; N103-C106 PolarHBondContact O-N 3.28Å; C106-F108 VanDerWaalsContact C-N 3.32Å; C106-F108 PolarHBondContact O-N 2.74Å; C106-W109 PolarHBondContact O-N 2.82Å; C106-W109 VanDerWaalsContact O-N 3.16Å; C106-Q110 VanDerWaalsContact O-CG 3.24Å; C106-Q110 WeakPolarHBondContact O-CG 3.43Å; C106-Q110 PolarHBondContact O-N 3.33Å
107	Q	98	Very high	96.5	Very high	101 Å²	101	38 Å²	38	47%	0.472	19%	0.186	S	C	.	.	H	α-helix	trans	-59.5	-39.5	179.9	-72.2	169.3	6.7	0	0	113.2	N103 H104 Q110 T111	N103-Q107 VanDerWaalsContact O-CG 3.29Å; N103-Q107 WeakPolarHBondContact O-CG 3.47Å; N103-Q107 PolarHBondContact O-N 2.93Å; H104-Q107 WeakPolarHBondContact O-CB 3.27Å; H104-Q107 PolarHBondContact O-N 3.21Å; Q107-Q110 PolarHBondContact O-N 3.31Å; Q107-T111 PolarHBondContact O-N 2.9Å; Q107-T111 VanDerWaalsContact O-N 3.09Å; Q107-T111 PolarHBondContact O-OG1 2.96Å
108	F	97.8	Very high	96.2	Very high	45 Å²	45	38.3 Å²	38.3	20%	0.197	19%	0.188	C	C	.	.	H	α-helix	trans	-55.5	-53.5	173.1	175	-94.1	0	0	0	110.7	H104 A105 C106 Q110 T111 A112 K250 Y379	H104-F108 PolarHBondContact O-N 2.98Å; A105-F108 PolarHBondContact O-N 3.36Å; C106-F108 VanDerWaalsContact C-N 3.32Å; C106-F108 PolarHBondContact O-N 2.74Å; F108-Q110 PolarHBondContact O-N 2.74Å; F108-T111 WeakPolarHBondContact O-CB 3.42Å; F108-T111 PolarHBondContact O-N 3.24Å; F108-A112 HydrophobicContact CE1-CB 4.45Å; F108-A112 WeakPolarHBondContact O-CB 3.04Å; F108-A112 PolarHBondContact O-N 3.19Å; F108-K250 HydrophobicContact CB-CD 4.23Å; F108-K250 HydrophobicContact CD1-CD 3.59Å; F108-K250 HydrophobicContact CD1-CG 4.21Å; F108-K250 HydrophobicContact CD2-CD 4.33Å; F108-K250 HydrophobicContact CE1-CD 3.98Å; F108-K250 HydrophobicContact CG-CD 3.78Å; F108-K250 HydrophobicContact CZ-CD 4.5Å; F108-Y379 HydrophobicContact CE1-CG 4.39Å; F108-Y379 HydrophobicContact CZ-CG 4.35Å
109	W	98.4	Very high	95.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-32.1	-179.7	-70.9	121.2	0	0	0	113.9	I79 A105 C106 T111 A112 L113 K250 I253 L254 L257 Y379 L384	I79-W109 HydrophobicContact CD1-CB 3.8Å; A105-W109 VanDerWaalsContact O-CD1 3.28Å; A105-W109 PolarHBondContact O-N 2.94Å; C106-W109 PolarHBondContact O-N 2.82Å; C106-W109 VanDerWaalsContact O-N 3.16Å; W109-T111 PolarHBondContact O-N 3.08Å; W109-A112 HydrophobicContact CE3-CB 3.86Å; W109-A112 HydrophobicContact CZ3-CB 4.25Å; W109-A112 PolarHBondContact O-N 3.35Å; W109-L113 HydrophobicContact CE3-CD1 4.08Å; W109-L113 HydrophobicContact CE3-CG 4.24Å; W109-L113 WeakPolarHBondContact O-CB 3.45Å; W109-L113 PolarHBondContact O-N 3.39Å; W109-K250 HydrophobicContact CZ2-CB 4.41Å; W109-K250 PolarHBondContact NE1-O 3.37Å; W109-I253 HydrophobicContact CG-CG2 4.12Å; W109-L254 HydrophobicContact CD2-CD1 4.09Å; W109-L254 HydrophobicContact CE3-CD1 3.9Å; W109-L254 HydrophobicContact CH2-CD1 3.42Å; W109-L254 VanDerWaalsContact CH2-CD1 3.42Å; W109-L254 HydrophobicContact CH2-CD2 3.78Å; W109-L254 HydrophobicContact CH2-CG 4.1Å; W109-L254 HydrophobicContact CZ2-CB 4.01Å; W109-L254 HydrophobicContact CZ2-CD1 3.58Å; W109-L254 HydrophobicContact CZ2-CD2 4.05Å; W109-L254 HydrophobicContact CZ2-CG 4.09Å; W109-L254 HydrophobicContact CZ3-CD1 3.58Å; W109-L257 HydrophobicContact CB-CD1 4.3Å; W109-L257 HydrophobicContact CG-CD1 4.34Å; W109-Y379 AromaticContact CH2-CD1 3.57Å; W109-Y379 HydrophobicContact CH2-CD1 3.57Å; W109-Y379 AromaticContact CH2-CE1 3.83Å; W109-Y379 HydrophobicContact CH2-CE1 3.83Å; W109-Y379 HydrophobicContact CH2-CG 4.48Å; W109-Y379 AromaticContact CZ2-CD1 3.74Å; W109-Y379 HydrophobicContact CZ2-CD1 3.74Å; W109-Y379 AromaticContact CZ2-CE1 3.5Å; W109-Y379 HydrophobicContact CZ2-CE1 3.5Å; W109-L384 HydrophobicContact CZ3-CD2 4Å
110	Q	98.4	Very high	95	Very high	47 Å²	47	41.7 Å²	41.7	22%	0.22	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-29.2	171.7	-67.1	-177	143.5	0	0	112.6	S76 L77 I79 C106 Q107 F108	S76-Q110 PolarHBondContact OG-O 3.21Å; L77-Q110 VanDerWaalsContact O-CB 3.24Å; L77-Q110 WeakPolarHBondContact O-CB 3.49Å; L77-Q110 WeakPolarHBondContact O-CG 3.5Å; I79-Q110 HydrophobicContact CB-CG 4.17Å; I79-Q110 HydrophobicContact CD1-CG 4.34Å; I79-Q110 HydrophobicContact CG1-CG 4.03Å; I79-Q110 PolarHBondContact O-OE1 2.71Å; C106-Q110 VanDerWaalsContact O-CG 3.24Å; C106-Q110 WeakPolarHBondContact O-CG 3.43Å; C106-Q110 PolarHBondContact O-N 3.33Å; Q107-Q110 PolarHBondContact O-N 3.31Å; F108-Q110 PolarHBondContact O-N 2.74Å
111	T	98.1	Very high	94.7	Very high	84 Å²	84	40.2 Å²	40.2	52%	0.515	22%	0.215	S	C	.	.	H	α-helix	trans	-83.8	-38.2	175.8	-54.9	0	0	0	0	111.6	Q107 F108 W109 N396 V399	Q107-T111 PolarHBondContact O-N 2.9Å; Q107-T111 VanDerWaalsContact O-N 3.09Å; Q107-T111 PolarHBondContact O-OG1 2.96Å; F108-T111 WeakPolarHBondContact O-CB 3.42Å; F108-T111 PolarHBondContact O-N 3.24Å; W109-T111 PolarHBondContact O-N 3.08Å; T111-N396 PolarHBondContact O-ND2 3.37Å; T111-V399 HydrophobicContact CG2-CG1 4.14Å
112	A	98.4	Very high	94.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.8	-30.6	-179.8	0	0	0	0	0	112.9	F108 W109 L384 N396 V399	F108-A112 HydrophobicContact CE1-CB 4.45Å; F108-A112 WeakPolarHBondContact O-CB 3.04Å; F108-A112 PolarHBondContact O-N 3.19Å; W109-A112 HydrophobicContact CE3-CB 3.86Å; W109-A112 HydrophobicContact CZ3-CB 4.25Å; W109-A112 PolarHBondContact O-N 3.35Å; A112-L384 HydrophobicContact CB-CD2 4.25Å; A112-N396 WeakPolarHBondContact O-CB 3.01Å; A112-N396 PolarHBondContact O-N 2.93Å; A112-V399 HydrophobicContact CB-CG2 3.71Å
113	L	98.6	Very high	94.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.1	-172.8	-57.9	176.6	0	0	0	112	L77 W109 L257 M387 Y393 A395	L77-L113 HydrophobicContact CB-CB 4.43Å; L77-L113 VanDerWaalsContact CB-O 3.24Å; L77-L113 WeakPolarHBondContact CB-O 3.18Å; L77-L113 HydrophobicContact CD2-CB 4.14Å; L77-L113 HydrophobicContact CD2-CD1 4.35Å; L77-L113 PolarHBondContact N-O 3.01Å; W109-L113 HydrophobicContact CE3-CD1 4.08Å; W109-L113 HydrophobicContact CE3-CG 4.24Å; W109-L113 WeakPolarHBondContact O-CB 3.45Å; W109-L113 PolarHBondContact O-N 3.39Å; L113-L257 HydrophobicContact CD1-CD1 4.1Å; L113-M387 HydrophobicContact CD1-CE 4.08Å; L113-M387 HydrophobicContact CD2-CB 3.83Å; L113-Y393 HydrophobicContact CB-CD1 4.38Å; L113-Y393 HydrophobicContact CB-CG 4.49Å; L113-Y393 HydrophobicContact CD1-CD2 4.44Å; L113-Y393 HydrophobicContact CD1-CG 4.29Å; L113-A395 HydrophobicContact CD2-CB 4.31Å
114	S	97.8	Very high	93.9	Very high	33 Å²	33	37.3 Å²	37.3	23%	0.231	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.8	167.2	-64.9	0	0	0	0	110.5	F74 H75 Y393 K394	F74-S114 WeakPolarHBondContact CD1-O 3.27Å; H75-S114 CarbonylContact O-C 3.52Å; H75-S114 WeakPolarHBondContact O-CA 3.03Å; H75-S114 VanDerWaalsContact O-CB 3.26Å; H75-S114 WeakPolarHBondContact O-CB 3.49Å; S114-Y393 CarbonylContact O-C 3.56Å; S114-Y393 WeakPolarHBondContact O-CA 3.38Å; S114-K394 PolarHBondContact N-O 3.12Å; S114-K394 PolarHBondContact O-N 3.28Å
115	V	95.5	Very high	93.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.8	-175.6	75.2	0	0	0	0	111.7	F74 H75 L77 R117 D189 Y393	F74-V115 WeakPolarHBondContact CA-O 3.34Å; H75-V115 PolarHBondContact N-O 3.03Å; H75-V115 PolarHBondContact O-N 3.48Å; L77-V115 HydrophobicContact CB-CG1 4.32Å; L77-V115 HydrophobicContact CD1-CB 4.05Å; L77-V115 HydrophobicContact CD1-CG1 3.76Å; V115-R117 PolarHBondContact O-N 3.16Å; V115-D189 HydrophobicContact CG1-CB 4.06Å; V115-Y393 HydrophobicContact CB-CD1 4.14Å; V115-Y393 HydrophobicContact CB-CE1 4.44Å; V115-Y393 HydrophobicContact CG2-CD1 4.06Å; V115-Y393 HydrophobicContact CG2-CE1 4.08Å
116	R	91.7	Very high	93	Very high	62 Å²	62	35.6 Å²	35.6	23%	0.234	19%	0.19	C	C	.	.			trans	-76.4	111.2	161.8	-62	176.9	-170.5	164.8	3.5	108.3	F74	F74-R116 HydrophobicContact CE1-CG 4.41Å; F74-R116 HydrophobicContact CE2-CG 4.43Å; F74-R116 HydrophobicContact CZ-CG 4.32Å
117	R	90.8	Very high	92.4	Very high	115 Å²	115	36.5 Å²	36.5	43%	0.434	19%	0.193	S	C	.	.			trans	-60.1	147.8	-175	-71.4	-173.6	172.1	179	0	112.6	H75 V115 D189	H75-R117 HydrophobicContact CB-CG 4.03Å; V115-R117 PolarHBondContact O-N 3.16Å; R117-D189 WeakPolarHBondContact CA-OD1 3.24Å
118	L	85.6	Confident	92	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.115	18%	0.175	C	C	.	.			trans	-62.5	143.5	169.8	-65.4	-179.3	0	0	0	110.6	L122 D189 I224	L118-L122 HydrophobicContact CD1-CB 4.23Å; L118-L122 HydrophobicContact CD1-CD1 3.81Å; L118-L122 HydrophobicContact CD1-CG 4.49Å; L118-D189 PolarHBondContact N-OD1 3.43Å; L118-I224 HydrophobicContact CD1-CG2 4.42Å; L118-I224 HydrophobicContact CD2-CG2 4.38Å
119	A	81.6	Confident	91.5	Very high	95 Å²	95	34 Å²	34	79%	0.785	19%	0.189	S	C	*	.	S	Bend	trans	-81.1	-19.9	-173.9	0	0	0	0	0	113.4
120	S	84.5	Confident	90.8	Very high	30 Å²	30	37.6 Å²	37.6	21%	0.21	21%	0.205	C	C	.	.	S	Bend	trans	-134.4	165	175.9	73.7	0	0	0	0	110.1	Q59	Q59-S120 PolarHBondContact NE2-O 3.02Å; Q59-S120 VanDerWaalsContact NE2-O 3.14Å; Q59-S120 PolarHBondContact NE2-OG 2.86Å
121	P	89.4	Confident	90.1	Very high	36 Å²	36	35.7 Å²	35.7	23%	0.234	20%	0.198	C	C	.	.			trans	-43	145.5	162.9	-29.3	35.3	0	0	0	112.5	H181 I185	P121-H181 WeakPolarHBondContact CD-O 3.47Å; P121-I185 WeakPolarHBondContact CA-O 3.39Å
122	L	91.6	Very high	89.4	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-79.2	126.7	-176	175.9	63.3	0	0	0	110.2	L118 L124 I185 T188 I191 I224	L118-L122 HydrophobicContact CD1-CB 4.23Å; L118-L122 HydrophobicContact CD1-CD1 3.81Å; L118-L122 HydrophobicContact CD1-CG 4.49Å; L122-L124 HydrophobicContact CD1-CD2 4.05Å; L122-L124 HydrophobicContact CG-CD2 4.26Å; L122-I185 HydrophobicContact CB-CB 4.27Å; L122-I185 HydrophobicContact CB-CD1 4.34Å; L122-I185 HydrophobicContact CD2-CD1 4.1Å; L122-I185 HydrophobicContact CG-CD1 4.14Å; L122-I185 PolarHBondContact N-O 3.37Å; L122-I185 PolarHBondContact O-N 3.42Å; L122-T188 HydrophobicContact CD2-CG2 3.77Å; L122-I191 HydrophobicContact CD2-CB 3.98Å; L122-I191 HydrophobicContact CD2-CG2 3.71Å; L122-I224 HydrophobicContact CD1-CB 4.07Å; L122-I224 HydrophobicContact CD1-CD1 3.51Å; L122-I224 HydrophobicContact CD1-CG1 4.06Å; L122-I224 WeakPolarHBondContact CD2-O 3.23Å
123	L	90.6	Very high	88.6	Confident	16 Å²	16	33.8 Å²	33.8	8%	0.084	19%	0.186	C	C	.	.			trans	-133	135.4	170.7	-74.4	173.3	0	0	0	109	H160 K162 F179 V183 G184	L123-H160 WeakPolarHBondContact CA-O 3.09Å; L123-K162 HydrophobicContact CB-CG 3.66Å; L123-K162 HydrophobicContact CD1-CG 4.32Å; L123-K162 VanDerWaalsContact O-CE 3.25Å; L123-K162 WeakPolarHBondContact O-CE 3.13Å; L123-F179 HydrophobicContact CD1-CD2 4.06Å; L123-V183 WeakPolarHBondContact CD1-O 3.26Å; L123-V183 WeakPolarHBondContact CG-O 3.5Å; L123-G184 VanDerWaalsContact CD2-CA 3.43Å
124	L	90.8	Very high	87.5	Confident	2 Å²	2	37 Å²	37	1%	0.01	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-93.7	147.4	-176.8	-57.3	-174.9	0	0	0	111.2	L122 V156 H160 L161 K162 I191 Y193 Q215 A225	L122-L124 HydrophobicContact CD1-CD2 4.05Å; L122-L124 HydrophobicContact CG-CD2 4.26Å; L124-V156 HydrophobicContact CD1-CG1 4.16Å; L124-H160 PolarHBondContact N-O 3.03Å; L124-L161 HydrophobicContact CB-CD2 4.2Å; L124-K162 WeakPolarHBondContact O-CG 3.44Å; L124-K162 PolarHBondContact O-N 2.94Å; L124-I191 HydrophobicContact CD1-CG2 4.15Å; L124-I191 HydrophobicContact CD2-CG2 4.45Å; L124-Y193 HydrophobicContact CD1-CE2 3.8Å; L124-Y193 WeakPolarHBondContact CD1-OH 3.38Å; L124-Q215 VanDerWaalsContact CA-OE1 3.3Å; L124-Q215 VanDerWaalsContact CB-OE1 3.28Å; L124-A225 HydrophobicContact CD1-CB 3.88Å; L124-A225 HydrophobicContact CD2-CB 3.71Å; L124-A225 HydrophobicContact CG-CB 4.48Å
125	D	87.5	Confident	86.4	Confident	10 Å²	10	38.7 Å²	38.7	5%	0.053	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-72.8	146.1	174.2	-67	-29.4	0	0	0	109.7	S56 V57 T139 K162 Q215	S56-D125 WeakPolarHBondContact CA-OD2 3.43Å; S56-D125 WeakPolarHBondContact CB-OD2 3.33Å; V57-D125 WeakPolarHBondContact CA-OD2 3.46Å; V57-D125 PolarHBondContact N-OD2 3.25Å; D125-T139 VanDerWaalsContact OD2-CB 3.27Å; D125-T139 WeakPolarHBondContact OD2-CB 3.43Å; D125-T139 WeakPolarHBondContact OD2-CG2 3.45Å; D125-T139 PolarHBondContact OD2-OG1 2.98Å; D125-T139 VanDerWaalsContact OD2-OG1 3.09Å; D125-K162 VanDerWaalsContact OD1-CD 3.27Å; D125-K162 WeakPolarHBondContact OD1-CD 3.16Å; D125-K162 WeakPolarHBondContact OD1-CE 3.13Å; D125-K162 IonicContact OD1-NZ 3.53Å; D125-K162 PolarHBondContact OD1-NZ 3.04Å; D125-Q215 PolarHBondContact O-NE2 2.93Å
126	R	89.8	Confident	85.1	Confident	44 Å²	44	45.8 Å²	45.8	17%	0.166	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-71.2	147.8	171.5	-69.2	-172.7	-177.1	-98.6	-8.4	110.8	C145 E158 L161 K162	R126-C145 HydrophobicContact CB-CB 4.15Å; R126-E158 IonicContact CZ-OE1 3.37Å; R126-E158 IonicContact CZ-OE2 3.58Å; R126-E158 IonicContact NH1-OE1 3.23Å; R126-E158 PolarHBondContact NH1-OE1 3.31Å; R126-E158 IonicContact NH1-OE2 3.22Å; R126-E158 PolarHBondContact NH1-OE2 3.36Å; R126-E158 IonicContact NH2-OE1 2.63Å; R126-E158 IonicContact NH2-OE2 2.99Å; R126-E158 PolarHBondContact NH2-OE2 3.2Å; R126-L161 HydrophobicContact CG-CB 4.27Å; R126-L161 HydrophobicContact CG-CD1 4.4Å; R126-L161 HydrophobicContact CG-CD2 4.38Å; R126-K162 WeakPolarHBondContact CG-O 3.46Å; R126-K162 PolarHBondContact NE-O 3.48Å
127	R	86.2	Confident	83.8	Confident	22 Å²	22	44.5 Å²	44.5	8%	0.083	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-67.1	147.3	166.5	-80.7	-174.5	-170.7	-154.9	3	110.7	E33 E34 L54 C145 Q146 T149 F150	E33-R127 PolarHBondContact O-NH1 3.4Å; E34-R127 VanDerWaalsContact CD-NH2 3.34Å; E34-R127 IonicContact OE1-CZ 3.5Å; E34-R127 IonicContact OE1-NH1 3.55Å; E34-R127 IonicContact OE1-NH2 3.03Å; E34-R127 PolarHBondContact OE1-NH2 3.01Å; L54-R127 HydrophobicContact CD1-CG 3.85Å; R127-C145 CarbonylContact O-C 3.54Å; R127-C145 WeakPolarHBondContact O-CA 3.02Å; R127-Q146 HydrophobicContact CB-CB 4.24Å; R127-Q146 HydrophobicContact CB-CG 4.2Å; R127-Q146 PolarHBondContact O-N 2.89Å; R127-T149 HydrophobicContact CB-CG2 4.42Å; R127-T149 HydrophobicContact CG-CG2 4.05Å; R127-T149 PolarHBondContact N-OG1 2.88Å; R127-F150 PolarHBondContact NE-O 2.98Å; R127-F150 PolarHBondContact NH2-O 2.87Å
128	C	88.7	Confident	83.2	Confident	12 Å²	12	40 Å²	40	8%	0.081	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-103.2	144.8	178.6	-57.1	0	0	0	0	110.2	E130 C141	C128-E130 VanDerWaalsContact C-N 3.3Å; C128-C141 WeakPolarHBondContact CA-SG 3.4Å; C128-C141 HydrophobicContact CB-CB 3.62Å; C128-C141 WeakPolarHBondContact CB-SG 3.11Å; C128-C141 WeakPolarHBondContact SG-CA 3.47Å; C128-C141 WeakPolarHBondContact SG-CB 3.3Å; C128-C141 CovalentContact SG-SG 2.04Å; C128-C141 PolarHBondContact SG-SG 3.39Å
129	V	87.1	Confident	82.9	Confident	82 Å²	82	39.8 Å²	39.8	50%	0.497	23%	0.232	S	C	.	.	S	Bend	trans	-66.8	-36.1	176.5	177.5	0	0	0	0	111.1	K144 Q146	V129-K144 HydrophobicContact CB-CB 4.47Å; V129-K144 HydrophobicContact CG2-CB 4.1Å; V129-K144 HydrophobicContact CG2-CD 4.24Å; V129-K144 HydrophobicContact CG2-CG 4.06Å; V129-K144 PolarHBondContact N-O 2.94Å; V129-Q146 HydrophobicContact CG2-CG 3.93Å
130	E	83.2	Confident	83.2	Confident	74 Å²	74	35.6 Å²	35.6	35%	0.346	20%	0.197	S	C	.	.	S	Bend	trans	-111.1	-80.1	-178.3	-64.1	-176.7	172.6	0	0	112.2	S36 A37 C128 Q143	S36-E130 WeakPolarHBondContact CB-O 3.42Å; A37-E130 PolarHBondContact N-O 3.24Å; C128-E130 VanDerWaalsContact C-N 3.3Å; E130-Q143 VanDerWaalsContact CD-CD 3.47Å; E130-Q143 PolarHBondContact OE1-NE2 2.89Å; E130-Q143 PolarHBondContact OE1-OE1 2.97Å; E130-Q143 VanDerWaalsContact OE2-CD 3.25Å; E130-Q143 WeakPolarHBondContact OE2-CG 3.21Å; E130-Q143 PolarHBondContact OE2-NE2 3.48Å
131	A	84	Confident	83.5	Confident	8 Å²	8	34.3 Å²	34.3	7%	0.066	19%	0.188	C	C	.	.			trans	-138.9	144.1	-170.6	0	0	0	0	0	110.7	T38 K142	T38-A131 HydrophobicContact CG2-CB 4.06Å; A131-K142 HydrophobicContact CB-CB 4.34Å; A131-K142 HydrophobicContact CB-CD 4.4Å; A131-K142 PolarHBondContact O-N 2.71Å
132	T	83.7	Confident	83.4	Confident	17 Å²	17	37.7 Å²	37.7	10%	0.104	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.7	169.9	-60.3	0	0	0	0	109.6	S36 L54 T139	S36-T132 PolarHBondContact OG-N 3.34Å; L54-T132 WeakPolarHBondContact CD2-OG1 3.5Å; T132-T139 HydrophobicContact CG2-CG2 3.22Å
133	V	82.6	Confident	83.2	Confident	26 Å²	26	42.9 Å²	42.9	16%	0.158	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.3	175.8	-178.9	0	0	0	0	109.1	K135 T139 C140 K142 Y167	V133-K135 HydrophobicContact CG1-CG 3.92Å; V133-T139 WeakPolarHBondContact O-CA 3.31Å; V133-C140 PolarHBondContact N-O 3.44Å; V133-C140 PolarHBondContact O-N 3.42Å; V133-K142 HydrophobicContact CG2-CB 3.92Å; V133-K142 HydrophobicContact CG2-CG 4.33Å; V133-Y167 HydrophobicContact CB-CG 4.25Å; V133-Y167 HydrophobicContact CG1-CD1 4.33Å; V133-Y167 HydrophobicContact CG1-CD2 3.75Å; V133-Y167 HydrophobicContact CG1-CE2 4.25Å; V133-Y167 HydrophobicContact CG1-CG 3.78Å; V133-Y167 HydrophobicContact CG2-CD1 4.39Å; V133-Y167 HydrophobicContact CG2-CG 4.22Å
134	R	75.5	Confident	83.2	Confident	69 Å²	69	47.1 Å²	47.1	26%	0.26	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.5	175.3	-62.1	-175.2	-172	131.5	14.8	109.8	T55 A138 N283	T55-R134 PolarHBondContact O-NE 2.03Å; T55-R134 PolarHBondContact O-NH2 3.01Å; T55-R134 PolarHBondContact OG1-NH1 3.47Å; T55-R134 VanDerWaalsContact OG1-NH1 3.08Å; T55-R134 PolarHBondContact OG1-NH2 2.88Å; R134-A138 WeakPolarHBondContact CA-O 3.41Å; R134-N283 PolarHBondContact NH1-ND2 3.24Å; R134-N283 PolarHBondContact NH1-OD1 3.3Å
135	K	73.8	Confident	83.2	Confident	68 Å²	68	47.4 Å²	47.4	30%	0.296	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.2	179.6	-76.3	-70	-172.6	145.7	0	111	V133 G137 A138 Y167 D172	V133-K135 HydrophobicContact CG1-CG 3.92Å; K135-G137 PolarHBondContact O-N 2.04Å; K135-G137 VanDerWaalsContact O-N 3.1Å; K135-A138 PolarHBondContact N-O 2.92Å; K135-A138 WeakPolarHBondContact O-CB 3.48Å; K135-A138 PolarHBondContact O-N 2.86Å; K135-Y167 HydrophobicContact CG-CD2 4.27Å; K135-Y167 HydrophobicContact CG-CE2 3.9Å; K135-D172 WeakPolarHBondContact CE-OD1 3.36Å; K135-D172 IonicContact NZ-OD1 3.14Å; K135-D172 PolarHBondContact NZ-OD1 2.88Å; K135-D172 IonicContact NZ-OD2 3.26Å; K135-D172 PolarHBondContact NZ-OD2 2.88Å
136	N	68.8	Low	83.4	Confident	150 Å²	150	49.8 Å²	49.8	80%	0.802	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	36.9	174	-62.6	-28	0	0	0	114.7	A138	N136-A138 VanDerWaalsContact C-N 3.34Å
137	G	65	Low	83.5	Confident	34 Å²	34	53.5 Å²	53.5	35%	0.351	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	29.8	-175.3	0	0	0	0	0	113.4	V58 K135	V58-G137 WeakPolarHBondContact CB-O 3.38Å; V58-G137 WeakPolarHBondContact CG1-O 3.45Å; V58-G137 VanDerWaalsContact CG2-C 3.49Å; V58-G137 VanDerWaalsContact CG2-O 3.3Å; V58-G137 WeakPolarHBondContact CG2-O 3.19Å; K135-G137 PolarHBondContact O-N 2.04Å; K135-G137 VanDerWaalsContact O-N 3.1Å
138	A	76.7	Confident	83.8	Confident	20 Å²	20	55.8 Å²	55.8	17%	0.165	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.4	166.5	0	0	0	0	0	109.6	R134 K135 N136 C174	R134-A138 WeakPolarHBondContact CA-O 3.41Å; K135-A138 PolarHBondContact N-O 2.92Å; K135-A138 WeakPolarHBondContact O-CB 3.48Å; K135-A138 PolarHBondContact O-N 2.86Å; N136-A138 VanDerWaalsContact C-N 3.34Å; A138-C174 HydrophobicContact CB-CB 3.94Å
139	T	80.3	Confident	83.9	Confident	19 Å²	19	55.2 Å²	55.2	12%	0.117	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.1	169.4	-43.9	0	0	0	0	108.2	D125 T132 V133	D125-T139 VanDerWaalsContact OD2-CB 3.27Å; D125-T139 WeakPolarHBondContact OD2-CB 3.43Å; D125-T139 WeakPolarHBondContact OD2-CG2 3.45Å; D125-T139 PolarHBondContact OD2-OG1 2.98Å; D125-T139 VanDerWaalsContact OD2-OG1 3.09Å; T132-T139 HydrophobicContact CG2-CG2 3.22Å; V133-T139 WeakPolarHBondContact O-CA 3.31Å
140	C	87.2	Confident	84.2	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	170	174.5	54.1	0	0	0	0	111.3	V133 R165 C174	V133-C140 PolarHBondContact N-O 3.44Å; V133-C140 PolarHBondContact O-N 3.42Å; C140-R165 HydrophobicContact CB-CB 3.88Å; C140-R165 VanDerWaalsContact CB-O 3.24Å; C140-R165 WeakPolarHBondContact CB-O 3.47Å; C140-C174 HydrophobicContact CB-CB 3.51Å; C140-C174 WeakPolarHBondContact CB-SG 3.37Å; C140-C174 VanDerWaalsContact SG-CA 3.53Å; C140-C174 WeakPolarHBondContact SG-CB 3.34Å; C140-C174 CovalentContact SG-SG 2.03Å; C140-C174 PolarHBondContact SG-SG 2.84Å
141	C	90.4	Very high	84.6	Confident	3 Å²	3	52 Å²	52	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.8	176.6	-61.8	0	0	0	0	111.5	C128 Q143 K144 R165 L166 Y167	C128-C141 WeakPolarHBondContact CA-SG 3.4Å; C128-C141 HydrophobicContact CB-CB 3.62Å; C128-C141 WeakPolarHBondContact CB-SG 3.11Å; C128-C141 WeakPolarHBondContact SG-CA 3.47Å; C128-C141 WeakPolarHBondContact SG-CB 3.3Å; C128-C141 CovalentContact SG-SG 2.04Å; C128-C141 PolarHBondContact SG-SG 3.39Å; C141-Q143 VanDerWaalsContact C-N 3.32Å; C141-Q143 PolarHBondContact O-N 2.99Å; C141-K144 WeakPolarHBondContact CB-O 3.5Å; C141-R165 PolarHBondContact N-O 2.64Å; C141-L166 HydrophobicContact CB-CD2 4.07Å; C141-L166 CarbonylContact O-C 3.58Å; C141-L166 VanDerWaalsContact O-CA 3.29Å; C141-L166 WeakPolarHBondContact O-CA 3.23Å; C141-Y167 PolarHBondContact O-N 2.83Å
142	K	88.4	Confident	84.9	Confident	108 Å²	108	51.8 Å²	51.8	47%	0.47	27%	0.267	S	S	.	.	S	Bend	trans	-58.5	-42.5	-180	-171.5	-178.4	175.8	-171.3	0	113	A131 V133	A131-K142 HydrophobicContact CB-CB 4.34Å; A131-K142 HydrophobicContact CB-CD 4.4Å; A131-K142 PolarHBondContact O-N 2.71Å; V133-K142 HydrophobicContact CG2-CB 3.92Å; V133-K142 HydrophobicContact CG2-CG 4.33Å
143	Q	87.7	Confident	85.2	Confident	111 Å²	111	52.9 Å²	52.9	52%	0.519	27%	0.271	S	S	.	.	S	Bend	trans	-134	-48.7	-176.9	-63.6	-169.1	29.4	0	0	113.4	E130 C141 L166	E130-Q143 VanDerWaalsContact CD-CD 3.47Å; E130-Q143 PolarHBondContact OE1-NE2 2.89Å; E130-Q143 PolarHBondContact OE1-OE1 2.97Å; E130-Q143 VanDerWaalsContact OE2-CD 3.25Å; E130-Q143 WeakPolarHBondContact OE2-CG 3.21Å; E130-Q143 PolarHBondContact OE2-NE2 3.48Å; C141-Q143 VanDerWaalsContact C-N 3.32Å; C141-Q143 PolarHBondContact O-N 2.99Å; Q143-L166 WeakPolarHBondContact O-CD1 3.4Å; Q143-L166 VanDerWaalsContact O-CD2 3.28Å; Q143-L166 WeakPolarHBondContact O-CD2 3.33Å
144	K	90.8	Very high	85.7	Confident	104 Å²	104	51.7 Å²	51.7	45%	0.452	26%	0.263	S	S	.	.			trans	-146.3	140.9	-175.2	-174.5	-179.1	173.2	-164.6	0	110.9	V129 C141 D147	V129-K144 HydrophobicContact CB-CB 4.47Å; V129-K144 HydrophobicContact CG2-CB 4.1Å; V129-K144 HydrophobicContact CG2-CD 4.24Å; V129-K144 HydrophobicContact CG2-CG 4.06Å; V129-K144 PolarHBondContact N-O 2.94Å; C141-K144 WeakPolarHBondContact CB-O 3.5Å; K144-D147 WeakPolarHBondContact CE-OD1 3.24Å; K144-D147 IonicContact NZ-OD1 3.65Å; K144-D147 PolarHBondContact NZ-OD1 3.45Å; K144-D147 IonicContact NZ-OD2 3.58Å
145	C	90.8	Very high	86.6	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.061	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-80.6	145.4	165.8	-53.5	0	0	0	0	110.3	R126 R127 C164	R126-C145 HydrophobicContact CB-CB 4.15Å; R127-C145 CarbonylContact O-C 3.54Å; R127-C145 WeakPolarHBondContact O-CA 3.02Å; C145-C164 HydrophobicContact CB-CB 3.86Å; C145-C164 WeakPolarHBondContact CB-SG 3.32Å; C145-C164 WeakPolarHBondContact SG-CA 3.03Å; C145-C164 WeakPolarHBondContact SG-CB 3.37Å; C145-C164 CovalentContact SG-SG 2.04Å; C145-C164 PolarHBondContact SG-SG 2.85Å
146	Q	91.3	Very high	87.5	Confident	60 Å²	60	48 Å²	48	28%	0.28	26%	0.256	S	S	.	.			trans	-62	146.6	170.3	-70.1	-178.4	-13.7	0	0	110.1	R127 V129 V148	R127-Q146 HydrophobicContact CB-CB 4.24Å; R127-Q146 HydrophobicContact CB-CG 4.2Å; R127-Q146 PolarHBondContact O-N 2.89Å; V129-Q146 HydrophobicContact CG2-CG 3.93Å; Q146-V148 VanDerWaalsContact C-N 3.26Å; Q146-V148 WeakPolarHBondContact CB-O 3.12Å; Q146-V148 PolarHBondContact O-N 3.37Å
147	D	91.5	Very high	88.8	Confident	122 Å²	122	41.5 Å²	41.5	65%	0.652	22%	0.222	S	C	*	.	S	Bend	trans	-68.9	-29.5	-178.3	-56.9	-33.5	0	0	0	111.1	K144	K144-D147 WeakPolarHBondContact CE-OD1 3.24Å; K144-D147 IonicContact NZ-OD1 3.65Å; K144-D147 PolarHBondContact NZ-OD1 3.45Å; K144-D147 IonicContact NZ-OD2 3.58Å
148	V	91.7	Very high	90	Very high	69 Å²	69	44.7 Å²	44.7	42%	0.418	23%	0.228	S	C	.	.	S	Bend	trans	-125.4	135	171.7	-175.9	0	0	0	0	109.1	Q146 F150	Q146-V148 VanDerWaalsContact C-N 3.26Å; Q146-V148 WeakPolarHBondContact CB-O 3.12Å; Q146-V148 PolarHBondContact O-N 3.37Å; V148-F150 HydrophobicContact CB-CE2 3.86Å; V148-F150 HydrophobicContact CB-CZ 4.26Å; V148-F150 HydrophobicContact CG1-CD2 4.07Å; V148-F150 HydrophobicContact CG1-CE1 4.2Å; V148-F150 HydrophobicContact CG1-CE2 3.53Å; V148-F150 HydrophobicContact CG1-CZ 3.6Å
149	T	92.3	Very high	90.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.247	C	C	.	.			trans	-102.6	128.7	172.2	-67.8	0	0	0	0	109.4	R127 V156 L161	R127-T149 HydrophobicContact CB-CG2 4.42Å; R127-T149 HydrophobicContact CG-CG2 4.05Å; R127-T149 PolarHBondContact N-OG1 2.88Å; T149-V156 HydrophobicContact CG2-CB 4.33Å; T149-V156 HydrophobicContact CG2-CG2 4.23Å; T149-V156 WeakPolarHBondContact O-CB 3.29Å; T149-V156 PolarHBondContact O-N 3.35Å; T149-L161 HydrophobicContact CG2-CD2 3.76Å
150	F	91.8	Very high	91.4	Very high	86 Å²	86	49.6 Å²	49.6	38%	0.377	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149.5	177.7	-68.4	-88	0	0	0	111.9	R127 V148 A154	R127-F150 PolarHBondContact NE-O 2.98Å; R127-F150 PolarHBondContact NH2-O 2.87Å; V148-F150 HydrophobicContact CB-CE2 3.86Å; V148-F150 HydrophobicContact CB-CZ 4.26Å; V148-F150 HydrophobicContact CG1-CD2 4.07Å; V148-F150 HydrophobicContact CG1-CE1 4.2Å; V148-F150 HydrophobicContact CG1-CE2 3.53Å; V148-F150 HydrophobicContact CG1-CZ 3.6Å; F150-A154 WeakPolarHBondContact CA-O 3.18Å
151	C	92.7	Very high	91.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	98.9	164.6	-179	0	0	0	0	106.5	E153 A154 V156 Y193 C214 Y227	C151-E153 PolarHBondContact O-N 3.28Å; C151-A154 PolarHBondContact N-O 2.94Å; C151-A154 PolarHBondContact O-N 3.43Å; C151-V156 HydrophobicContact CB-CG2 3.84Å; C151-Y193 HydrophobicContact CB-CD2 3.74Å; C151-Y193 HydrophobicContact CB-CE2 4.18Å; C151-Y193 HydrophobicContact CB-CG 4.26Å; C151-C214 HydrophobicContact CB-CB 3.91Å; C151-C214 WeakPolarHBondContact CB-SG 3.23Å; C151-C214 WeakPolarHBondContact SG-CB 3.24Å; C151-C214 CovalentContact SG-SG 2.04Å; C151-C214 PolarHBondContact SG-SG 2.85Å; C151-Y227 WeakPolarHBondContact O-CB 3.28Å
152	G	89.7	Confident	91.6	Very high	4 Å²	4	50.7 Å²	50.7	4%	0.041	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-127	-166.9	0	0	0	0	0	112	Y227	G152-Y227 VanDerWaalsContact CA-CE1 3.47Å; G152-Y227 VanDerWaalsContact CA-CG 3.46Å; G152-Y227 VanDerWaalsContact N-CD1 3.33Å
153	E	90.7	Very high	91.6	Very high	41 Å²	41	47.3 Å²	47.3	19%	0.192	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.8	179.3	-50.3	-56.8	160.9	0	0	113.7	K31 C151 L197 Y210 N229	K31-E153 WeakPolarHBondContact CE-OE1 3.3Å; K31-E153 IonicContact NZ-OE1 2.75Å; K31-E153 PolarHBondContact NZ-OE1 3.42Å; K31-E153 IonicContact NZ-OE2 3.71Å; K31-E153 PolarHBondContact NZ-OE2 2.76Å; C151-E153 PolarHBondContact O-N 3.28Å; E153-L197 HydrophobicContact CB-CD1 3.7Å; E153-L197 HydrophobicContact CG-CD1 4.47Å; E153-Y210 HydrophobicContact CG-CE2 4.47Å; E153-Y210 WeakPolarHBondContact CG-OH 3.19Å; E153-Y210 PolarHBondContact OE1-OH 2.72Å; E153-N229 HydrophobicContact CG-CB 4.07Å
154	A	92.8	Very high	91.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.8	-175.1	0	0	0	0	0	111.7	D84 F150 C151 Y193	D84-A154 HydrophobicContact CB-CB 4.14Å; F150-A154 WeakPolarHBondContact CA-O 3.18Å; C151-A154 PolarHBondContact N-O 2.94Å; C151-A154 PolarHBondContact O-N 3.43Å; A154-Y193 HydrophobicContact CB-CD1 4.27Å; A154-Y193 HydrophobicContact CB-CG 4.3Å
155	S	93.6	Very high	91.6	Very high	50 Å²	50	42.2 Å²	42.2	35%	0.35	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.9	166.5	58.4	0	0	0	0	109.8	P157	S155-P157 WeakPolarHBondContact O-CD 3.48Å
156	V	94.4	Very high	91.6	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.055	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-78.7	124.6	178.9	178.6	0	0	0	0	109.4	L124 T149 C151 H160 L161 Y193	L124-V156 HydrophobicContact CD1-CG1 4.16Å; T149-V156 HydrophobicContact CG2-CB 4.33Å; T149-V156 HydrophobicContact CG2-CG2 4.23Å; T149-V156 WeakPolarHBondContact O-CB 3.29Å; T149-V156 PolarHBondContact O-N 3.35Å; C151-V156 HydrophobicContact CB-CG2 3.84Å; V156-H160 HydrophobicContact CG1-CB 3.9Å; V156-L161 HydrophobicContact CB-CD2 4.19Å; V156-L161 HydrophobicContact CB-CG 4.45Å; V156-L161 HydrophobicContact CG1-CD1 4.35Å; V156-L161 HydrophobicContact CG1-CD2 3.59Å; V156-L161 HydrophobicContact CG1-CG 3.76Å; V156-Y193 HydrophobicContact CG1-CE1 4.41Å; V156-Y193 WeakPolarHBondContact CG1-OH 3.46Å; V156-Y193 HydrophobicContact CG2-CE1 4.3Å; V156-Y193 HydrophobicContact CG2-CE2 4.25Å
157	P	94.7	Very high	91.6	Very high	15 Å²	15	43.3 Å²	43.3	10%	0.097	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-59.4	148	177	-24.5	34.2	0	0	0	113.3	Y82 S155 E159 H160	Y82-P157 HydrophobicContact CD2-CG 4.46Å; Y82-P157 HydrophobicContact CE1-CG 4.03Å; Y82-P157 HydrophobicContact CE2-CG 3.65Å; Y82-P157 WeakPolarHBondContact OH-CG 3.24Å; S155-P157 WeakPolarHBondContact O-CD 3.48Å; P157-E159 VanDerWaalsContact C-N 3.26Å; P157-E159 HydrophobicContact CB-CG 4.11Å; P157-E159 WeakPolarHBondContact CB-OE1 3.32Å; P157-E159 VanDerWaalsContact CB-OE2 3.31Å; P157-E159 WeakPolarHBondContact CB-OE2 3.32Å; P157-E159 PolarHBondContact O-N 2.93Å; P157-H160 WeakPolarHBondContact O-CB 3.46Å; P157-H160 PolarHBondContact O-N 2.95Å
158	E	91.7	Very high	91.5	Very high	101 Å²	101	42.5 Å²	42.5	47%	0.472	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-60.5	-35.1	-178.4	-76.6	-69.2	126.3	0	0	112.4	R126 H160 L161	R126-E158 IonicContact CZ-OE1 3.37Å; R126-E158 IonicContact CZ-OE2 3.58Å; R126-E158 IonicContact NH1-OE1 3.23Å; R126-E158 PolarHBondContact NH1-OE1 3.31Å; R126-E158 IonicContact NH1-OE2 3.22Å; R126-E158 PolarHBondContact NH1-OE2 3.36Å; R126-E158 IonicContact NH2-OE1 2.63Å; R126-E158 IonicContact NH2-OE2 2.99Å; R126-E158 PolarHBondContact NH2-OE2 3.2Å; E158-H160 PolarHBondContact O-N 3.43Å; E158-L161 PolarHBondContact O-N 3.44Å; E158-L161 VanDerWaalsContact O-N 3.13Å
159	E	91.9	Very high	91.4	Very high	120 Å²	120	43.8 Å²	43.8	56%	0.561	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-67.3	-17.6	176.1	63.7	-91	-151.6	0	0	114.2	P157	P157-E159 VanDerWaalsContact C-N 3.26Å; P157-E159 HydrophobicContact CB-CG 4.11Å; P157-E159 WeakPolarHBondContact CB-OE1 3.32Å; P157-E159 VanDerWaalsContact CB-OE2 3.31Å; P157-E159 WeakPolarHBondContact CB-OE2 3.32Å; P157-E159 PolarHBondContact O-N 2.93Å
160	H	93.7	Very high	91.3	Very high	22 Å²	22	49.9 Å²	49.9	10%	0.102	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-91.1	-11.9	175.3	-62.7	179.2	0	0	0	112.3	Y82 L123 L124 V156 P157 E158 I185 Y193	Y82-H160 AromaticContact CD2-CE1 3.67Å; L123-H160 WeakPolarHBondContact CA-O 3.09Å; L124-H160 PolarHBondContact N-O 3.03Å; V156-H160 HydrophobicContact CG1-CB 3.9Å; P157-H160 WeakPolarHBondContact O-CB 3.46Å; P157-H160 PolarHBondContact O-N 2.95Å; E158-H160 PolarHBondContact O-N 3.43Å; H160-I185 HydrophobicContact CB-CD1 4.13Å; H160-I185 HydrophobicContact CB-CG1 4.43Å; H160-Y193 AromaticContact ND1-CE1 3.85Å; H160-Y193 AromaticContact ND1-CZ 3.82Å; H160-Y193 PolarHBondContact ND1-OH 2.74Å
161	L	91.7	Very high	91.1	Very high	11 Å²	11	50.1 Å²	50.1	6%	0.058	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-97.1	143.2	-173.9	-66.2	170.3	0	0	0	111.8	L124 R126 T149 V156 E158	L124-L161 HydrophobicContact CB-CD2 4.2Å; R126-L161 HydrophobicContact CG-CB 4.27Å; R126-L161 HydrophobicContact CG-CD1 4.4Å; R126-L161 HydrophobicContact CG-CD2 4.38Å; T149-L161 HydrophobicContact CG2-CD2 3.76Å; V156-L161 HydrophobicContact CB-CD2 4.19Å; V156-L161 HydrophobicContact CB-CG 4.45Å; V156-L161 HydrophobicContact CG1-CD1 4.35Å; V156-L161 HydrophobicContact CG1-CD2 3.59Å; V156-L161 HydrophobicContact CG1-CG 3.76Å; E158-L161 PolarHBondContact O-N 3.44Å; E158-L161 VanDerWaalsContact O-N 3.13Å
162	K	89.2	Confident	90.8	Very high	20 Å²	20	53.3 Å²	53.3	9%	0.087	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-63.7	153.8	162.1	-66.2	-175.7	-159	158.6	0	109.7	V58 L123 L124 D125 R126 F179	V58-K162 PolarHBondContact O-NZ 2.88Å; L123-K162 HydrophobicContact CB-CG 3.66Å; L123-K162 HydrophobicContact CD1-CG 4.32Å; L123-K162 VanDerWaalsContact O-CE 3.25Å; L123-K162 WeakPolarHBondContact O-CE 3.13Å; L124-K162 WeakPolarHBondContact O-CG 3.44Å; L124-K162 PolarHBondContact O-N 2.94Å; D125-K162 VanDerWaalsContact OD1-CD 3.27Å; D125-K162 WeakPolarHBondContact OD1-CD 3.16Å; D125-K162 WeakPolarHBondContact OD1-CE 3.13Å; D125-K162 IonicContact OD1-NZ 3.53Å; D125-K162 PolarHBondContact OD1-NZ 3.04Å; R126-K162 WeakPolarHBondContact CG-O 3.46Å; R126-K162 PolarHBondContact NE-O 3.48Å; K162-F179 HydrophobicContact CD-CZ 4.37Å
163	P	88.4	Confident	90.8	Very high	37 Å²	37	55.4 Å²	55.4	24%	0.24	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-59.6	150.2	170.7	27.1	-35.5	0	0	0	110.3	R165 A177 F179	P163-R165 PolarHBondContact O-N 3.12Å; P163-A177 HydrophobicContact CB-CB 4.09Å; P163-A177 HydrophobicContact CG-CB 4.49Å; P163-A177 WeakPolarHBondContact CG-O 3.47Å; P163-F179 HydrophobicContact CG-CB 3.76Å; P163-F179 HydrophobicContact CG-CD1 4.21Å; P163-F179 HydrophobicContact CG-CG 4.42Å
164	C	89	Confident	90.6	Very high	51 Å²	51	53.6 Å²	53.6	35%	0.345	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.5	126.8	173.3	-178.1	0	0	0	0	110	C145	C145-C164 HydrophobicContact CB-CB 3.86Å; C145-C164 WeakPolarHBondContact CB-SG 3.32Å; C145-C164 WeakPolarHBondContact SG-CA 3.03Å; C145-C164 WeakPolarHBondContact SG-CB 3.37Å; C145-C164 CovalentContact SG-SG 2.04Å; C145-C164 PolarHBondContact SG-SG 2.85Å
165	R	90	Very high	90.4	Very high	58 Å²	58	56.8 Å²	56.8	22%	0.219	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.6	173.8	-64.3	-179.2	69.9	165.2	0.8	108.5	C140 C141 P163 C174 V175	C140-R165 HydrophobicContact CB-CB 3.88Å; C140-R165 VanDerWaalsContact CB-O 3.24Å; C140-R165 WeakPolarHBondContact CB-O 3.47Å; C141-R165 PolarHBondContact N-O 2.64Å; P163-R165 PolarHBondContact O-N 3.12Å; R165-C174 PolarHBondContact NH2-O 3.33Å; R165-V175 WeakPolarHBondContact CA-O 3.34Å
166	L	91.8	Very high	89.9	Confident	43 Å²	43	56.4 Å²	56.4	23%	0.225	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.5	-177.5	-56.1	-179.3	0	0	0	110.3	C141 Q143 Y168 C174 V175	C141-L166 HydrophobicContact CB-CD2 4.07Å; C141-L166 CarbonylContact O-C 3.58Å; C141-L166 VanDerWaalsContact O-CA 3.29Å; C141-L166 WeakPolarHBondContact O-CA 3.23Å; Q143-L166 WeakPolarHBondContact O-CD1 3.4Å; Q143-L166 VanDerWaalsContact O-CD2 3.28Å; Q143-L166 WeakPolarHBondContact O-CD2 3.33Å; L166-Y168 HydrophobicContact CB-CD2 4.43Å; L166-Y168 HydrophobicContact CB-CE2 3.86Å; L166-Y168 WeakPolarHBondContact O-CD2 3.2Å; L166-C174 CarbonylContact O-C 3.55Å; L166-C174 WeakPolarHBondContact O-CA 3.34Å; L166-V175 PolarHBondContact N-O 2.96Å; L166-V175 PolarHBondContact O-N 2.91Å
167	Y	90.2	Very high	89.1	Confident	48 Å²	48	58.9 Å²	58.9	19%	0.188	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.5	173.2	175.7	-110.4	0	0	0	110	V133 K135 C141 P169 D172	V133-Y167 HydrophobicContact CB-CG 4.25Å; V133-Y167 HydrophobicContact CG1-CD1 4.33Å; V133-Y167 HydrophobicContact CG1-CD2 3.75Å; V133-Y167 HydrophobicContact CG1-CE2 4.25Å; V133-Y167 HydrophobicContact CG1-CG 3.78Å; V133-Y167 HydrophobicContact CG2-CD1 4.39Å; V133-Y167 HydrophobicContact CG2-CG 4.22Å; K135-Y167 HydrophobicContact CG-CD2 4.27Å; K135-Y167 HydrophobicContact CG-CE2 3.9Å; C141-Y167 PolarHBondContact O-N 2.83Å; Y167-P169 HydrophobicContact CD1-CG 4.21Å; Y167-P169 HydrophobicContact CE1-CB 4.21Å; Y167-P169 HydrophobicContact CE1-CG 3.85Å; Y167-D172 WeakPolarHBondContact CE2-OD1 3.38Å; Y167-D172 PolarHBondContact OH-OD1 2.87Å
168	Y	90.5	Very high	87.8	Confident	106 Å²	106	63 Å²	63	42%	0.416	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	111.9	174.5	-74.4	-92.8	0	0	0	109.7	L166 T170 V171 D172 S173 V175	L166-Y168 HydrophobicContact CB-CD2 4.43Å; L166-Y168 HydrophobicContact CB-CE2 3.86Å; L166-Y168 WeakPolarHBondContact O-CD2 3.2Å; Y168-T170 PolarHBondContact O-N 2.84Å; Y168-V171 PolarHBondContact O-N 2.78Å; Y168-D172 PolarHBondContact O-N 3.14Å; Y168-S173 PolarHBondContact N-O 3.06Å; Y168-S173 PolarHBondContact O-N 3.42Å; Y168-V175 HydrophobicContact CD2-CB 3.45Å; Y168-V175 VanDerWaalsContact CD2-CB 3.45Å; Y168-V175 HydrophobicContact CD2-CG1 4.46Å; Y168-V175 HydrophobicContact CD2-CG2 3.62Å; Y168-V175 HydrophobicContact CE2-CB 3.66Å; Y168-V175 HydrophobicContact CE2-CG1 4.37Å; Y168-V175 HydrophobicContact CE2-CG2 4.32Å; Y168-V175 HydrophobicContact CG-CB 4.45Å; Y168-V175 HydrophobicContact CG-CG2 4.22Å
169	P	88.1	Confident	86.7	Confident	95 Å²	95	60.3 Å²	60.3	62%	0.617	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.6	-178.8	-24.3	32.7	0	0	0	113.9	Y167 V171 D172	Y167-P169 HydrophobicContact CD1-CG 4.21Å; Y167-P169 HydrophobicContact CE1-CB 4.21Å; Y167-P169 HydrophobicContact CE1-CG 3.85Å; P169-V171 VanDerWaalsContact C-N 3.33Å; P169-V171 PolarHBondContact O-N 2.79Å; P169-D172 PolarHBondContact O-N 3.42Å
170	T	90.1	Very high	85.6	Confident	130 Å²	130	58.8 Å²	58.8	80%	0.798	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.9	-178	49.8	0	0	0	0	113.5	Y168	Y168-T170 PolarHBondContact O-N 2.84Å
171	V	88.6	Confident	84.3	Confident	90 Å²	90	61.2 Å²	61.2	55%	0.545	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	2.8	177.6	-63.7	0	0	0	0	112.6	Y168 P169 S173 V175	Y168-V171 PolarHBondContact O-N 2.78Å; P169-V171 VanDerWaalsContact C-N 3.33Å; P169-V171 PolarHBondContact O-N 2.79Å; V171-S173 WeakPolarHBondContact O-CB 3.37Å; V171-S173 PolarHBondContact O-N 2.98Å; V171-S173 VanDerWaalsContact O-N 3.15Å; V171-V175 HydrophobicContact CG2-CG2 3.74Å
172	D	87.1	Confident	83.1	Confident	69 Å²	69	69 Å²	69	37%	0.369	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.9	46.9	-172.5	-169.1	23.6	0	0	0	113	K135 Y167 Y168 P169	K135-D172 WeakPolarHBondContact CE-OD1 3.36Å; K135-D172 IonicContact NZ-OD1 3.14Å; K135-D172 PolarHBondContact NZ-OD1 2.88Å; K135-D172 IonicContact NZ-OD2 3.26Å; K135-D172 PolarHBondContact NZ-OD2 2.88Å; Y167-D172 WeakPolarHBondContact CE2-OD1 3.38Å; Y167-D172 PolarHBondContact OH-OD1 2.87Å; Y168-D172 PolarHBondContact O-N 3.14Å; P169-D172 PolarHBondContact O-N 3.42Å
173	S	89	Confident	82.6	Confident	48 Å²	48	71.9 Å²	71.9	34%	0.336	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.4	-172.1	-167.1	0	0	0	0	112.7	Y168 V171 V175	Y168-S173 PolarHBondContact N-O 3.06Å; Y168-S173 PolarHBondContact O-N 3.42Å; V171-S173 WeakPolarHBondContact O-CB 3.37Å; V171-S173 PolarHBondContact O-N 2.98Å; V171-S173 VanDerWaalsContact O-N 3.15Å; S173-V175 PolarHBondContact O-N 2.89Å
174	C	87.2	Confident	82.5	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.014	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110.6	170.9	-66	0	0	0	0	109.4	A138 C140 R165 L166	A138-C174 HydrophobicContact CB-CB 3.94Å; C140-C174 HydrophobicContact CB-CB 3.51Å; C140-C174 WeakPolarHBondContact CB-SG 3.37Å; C140-C174 VanDerWaalsContact SG-CA 3.53Å; C140-C174 WeakPolarHBondContact SG-CB 3.34Å; C140-C174 CovalentContact SG-SG 2.03Å; C140-C174 PolarHBondContact SG-SG 2.84Å; R165-C174 PolarHBondContact NH2-O 3.33Å; L166-C174 CarbonylContact O-C 3.55Å; L166-C174 WeakPolarHBondContact O-CA 3.34Å
175	V	87.6	Confident	82.7	Confident	67 Å²	67	69.9 Å²	69.9	41%	0.406	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.2	179	-171.5	0	0	0	0	109.7	R165 L166 Y168 V171 S173	R165-V175 WeakPolarHBondContact CA-O 3.34Å; L166-V175 PolarHBondContact N-O 2.96Å; L166-V175 PolarHBondContact O-N 2.91Å; Y168-V175 HydrophobicContact CD2-CB 3.45Å; Y168-V175 VanDerWaalsContact CD2-CB 3.45Å; Y168-V175 HydrophobicContact CD2-CG1 4.46Å; Y168-V175 HydrophobicContact CD2-CG2 3.62Å; Y168-V175 HydrophobicContact CE2-CB 3.66Å; Y168-V175 HydrophobicContact CE2-CG1 4.37Å; Y168-V175 HydrophobicContact CE2-CG2 4.32Å; Y168-V175 HydrophobicContact CG-CB 4.45Å; Y168-V175 HydrophobicContact CG-CG2 4.22Å; V171-V175 HydrophobicContact CG2-CG2 3.74Å; S173-V175 PolarHBondContact O-N 2.89Å
176	G	83.7	Confident	82.8	Confident	42 Å²	42	70.7 Å²	70.7	43%	0.433	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.6	-176.9	178.2	0	0	0	0	0	110.1	A178	G176-A178 PolarHBondContact O-N 2.86Å
177	A	76.3	Confident	82.8	Confident	62 Å²	62	74.1 Å²	74.1	51%	0.512	44%	0.44	S	S	.	.			trans	-55.3	135.3	178.3	0	0	0	0	0	110.9	P163	P163-A177 HydrophobicContact CB-CB 4.09Å; P163-A177 HydrophobicContact CG-CB 4.49Å; P163-A177 WeakPolarHBondContact CG-O 3.47Å
178	A	68.3	Low	83	Confident	100 Å²	100	72 Å²	72	83%	0.826	43%	0.431	S	S	*	.			trans	-63.6	141.8	167.5	0	0	0	0	0	108.6	G176	G176-A178 PolarHBondContact O-N 2.86Å
179	F	68.4	Low	83.3	Confident	45 Å²	45	66.9 Å²	66.9	20%	0.197	41%	0.411	C	S	.	.			trans	-107.5	143.4	173.6	58.1	-84	0	0	0	110.5	L123 K162 P163 H181	L123-F179 HydrophobicContact CD1-CD2 4.06Å; K162-F179 HydrophobicContact CD-CZ 4.37Å; P163-F179 HydrophobicContact CG-CB 3.76Å; P163-F179 HydrophobicContact CG-CD1 4.21Å; P163-F179 HydrophobicContact CG-CG 4.42Å; F179-H181 AromaticContact CE2-CE1 3.18Å; F179-H181 WeakPolarHBondContact CE2-CE1 3.36Å; F179-H181 AromaticContact CE2-ND1 3.4Å; F179-H181 WeakPolarHBondContact CE2-ND1 3.28Å; F179-H181 AromaticContact CE2-NE2 3.89Å; F179-H181 AromaticContact CZ-CE1 3.53Å; F179-H181 PolarHBondContact O-N 3.35Å
180	D	68.6	Low	83.8	Confident	89 Å²	89	62.4 Å²	62.4	48%	0.476	38%	0.382	S	S	.	.			trans	-75.7	118.7	171.1	-173.8	-1.7	0	0	0	109.1	K182 V183	D180-K182 PolarHBondContact O-N 3.09Å; D180-K182 VanDerWaalsContact O-N 3.15Å; D180-K182 WeakPolarHBondContact OD1-CB 3.46Å; D180-K182 WeakPolarHBondContact OD1-CG 3.45Å; D180-K182 PolarHBondContact OD1-N 3.06Å; D180-V183 HydrophobicContact CB-CB 4.44Å; D180-V183 HydrophobicContact CB-CG2 3.86Å; D180-V183 PolarHBondContact O-N 3.35Å; D180-V183 VanDerWaalsContact O-N 3.08Å
181	H	66.7	Low	84.1	Confident	72 Å²	72	56.2 Å²	56.2	33%	0.333	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-8	175.5	-72.2	-76.3	0	0	0	113.4	P121 F179	P121-H181 WeakPolarHBondContact CD-O 3.47Å; F179-H181 AromaticContact CE2-CE1 3.18Å; F179-H181 WeakPolarHBondContact CE2-CE1 3.36Å; F179-H181 AromaticContact CE2-ND1 3.4Å; F179-H181 WeakPolarHBondContact CE2-ND1 3.28Å; F179-H181 AromaticContact CE2-NE2 3.89Å; F179-H181 AromaticContact CZ-CE1 3.53Å; F179-H181 PolarHBondContact O-N 3.35Å
182	K	65.5	Low	84.6	Confident	176 Å²	176	52 Å²	52	77%	0.765	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-12	172.7	-59.4	176.7	-179.1	179.2	0	113.1	D180	D180-K182 PolarHBondContact O-N 3.09Å; D180-K182 VanDerWaalsContact O-N 3.15Å; D180-K182 WeakPolarHBondContact OD1-CB 3.46Å; D180-K182 WeakPolarHBondContact OD1-CG 3.45Å; D180-K182 PolarHBondContact OD1-N 3.06Å
183	V	79.1	Confident	85.1	Confident	80 Å²	80	48.7 Å²	48.7	49%	0.485	30%	0.301	S	S	.	.			trans	-96.2	148.7	-180	179.3	0	0	0	0	110	L123 D180	L123-V183 WeakPolarHBondContact CD1-O 3.26Å; L123-V183 WeakPolarHBondContact CG-O 3.5Å; D180-V183 HydrophobicContact CB-CB 4.44Å; D180-V183 HydrophobicContact CB-CG2 3.86Å; D180-V183 PolarHBondContact O-N 3.35Å; D180-V183 VanDerWaalsContact O-N 3.08Å
184	G	86.7	Confident	85.6	Confident	27 Å²	27	46.4 Å²	46.4	28%	0.278	29%	0.285	S	S	.	.	S	Bend	trans	126.4	-164.6	-179.1	0	0	0	0	0	111.9	L123 S186	L123-G184 VanDerWaalsContact CD2-CA 3.43Å; G184-S186 PolarHBondContact O-N 2.89Å; G184-S186 VanDerWaalsContact O-N 3.17Å
185	I	93	Very high	86	Confident	18 Å²	18	46.3 Å²	46.3	9%	0.092	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-82.6	104.6	-175.7	-44.5	145.3	0	0	0	108.1	T80 P121 L122 H160 T188 I191	T80-I185 HydrophobicContact CG2-CG2 4.35Å; P121-I185 WeakPolarHBondContact CA-O 3.39Å; L122-I185 HydrophobicContact CB-CB 4.27Å; L122-I185 HydrophobicContact CB-CD1 4.34Å; L122-I185 HydrophobicContact CD2-CD1 4.1Å; L122-I185 HydrophobicContact CG-CD1 4.14Å; L122-I185 PolarHBondContact N-O 3.37Å; L122-I185 PolarHBondContact O-N 3.42Å; H160-I185 HydrophobicContact CB-CD1 4.13Å; H160-I185 HydrophobicContact CB-CG1 4.43Å; I185-T188 HydrophobicContact CG2-CG2 4.29Å; I185-T188 WeakPolarHBondContact CG2-OG1 3.45Å; I185-I191 HydrophobicContact CD1-CB 4.2Å; I185-I191 HydrophobicContact CD1-CD1 3.36Å; I185-I191 HydrophobicContact CD1-CG1 4.35Å; I185-I191 HydrophobicContact CD1-CG2 4.27Å; I185-I191 HydrophobicContact CG1-CD1 4.24Å
186	S	91.7	Very high	86.4	Confident	75 Å²	75	43.3 Å²	43.3	52%	0.524	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	152.5	178.6	78.3	0	0	0	0	111	G184 T188	G184-S186 PolarHBondContact O-N 2.89Å; G184-S186 VanDerWaalsContact O-N 3.17Å; S186-T188 PolarHBondContact O-N 3.25Å; S186-T188 PolarHBondContact O-OG1 3.16Å; S186-T188 VanDerWaalsContact O-OG1 3.12Å
187	N	92.2	Very high	86.9	Confident	116 Å²	116	44.4 Å²	44.4	62%	0.62	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	27.3	176.8	-64.1	-47.8	0	0	0	116.5	R78	R78-N187 WeakPolarHBondContact CB-O 3.15Å; R78-N187 WeakPolarHBondContact CD-O 3.03Å; R78-N187 PolarHBondContact NE-O 3.42Å; R78-N187 VanDerWaalsContact NH1-CA 3.31Å; R78-N187 PolarHBondContact NH1-OD1 2.97Å
188	T	95.5	Very high	87.6	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	26%	0.263	C	S	.	.			trans	-123.4	132.7	-175.8	-53.8	0	0	0	0	110.9	T80 L122 I185 S186 F190 I191	T80-T188 WeakPolarHBondContact OG1-CG2 3.47Å; T80-T188 PolarHBondContact OG1-OG1 3.38Å; L122-T188 HydrophobicContact CD2-CG2 3.77Å; I185-T188 HydrophobicContact CG2-CG2 4.29Å; I185-T188 WeakPolarHBondContact CG2-OG1 3.45Å; S186-T188 PolarHBondContact O-N 3.25Å; S186-T188 PolarHBondContact O-OG1 3.16Å; S186-T188 VanDerWaalsContact O-OG1 3.12Å; T188-F190 VanDerWaalsContact CG2-C 3.43Å; T188-F190 WeakPolarHBondContact CG2-O 3.19Å; T188-I191 HydrophobicContact CG2-CB 4.23Å
189	D	95.8	Very high	88.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-109.6	-17.3	171.1	-59.5	-57.4	0	0	0	112.2	L77 R78 V115 R117 L118 R222	L77-D189 HydrophobicContact CD1-CB 3.96Å; R78-D189 WeakPolarHBondContact CB-OD2 3.41Å; R78-D189 IonicContact CZ-OD1 2.75Å; R78-D189 IonicContact CZ-OD2 2.75Å; R78-D189 PolarHBondContact N-OD2 2.92Å; R78-D189 IonicContact NE-OD1 2.72Å; R78-D189 IonicContact NE-OD2 3.25Å; R78-D189 PolarHBondContact NE-OD2 2.92Å; R78-D189 IonicContact NH2-OD1 3.76Å; R78-D189 PolarHBondContact NH2-OD1 3.12Å; R78-D189 IonicContact NH2-OD2 3.46Å; R78-D189 PolarHBondContact NH2-OD2 2.94Å; R78-D189 PolarHBondContact O-N 3.17Å; V115-D189 HydrophobicContact CG1-CB 4.06Å; R117-D189 WeakPolarHBondContact CA-OD1 3.24Å; L118-D189 PolarHBondContact N-OD1 3.43Å; D189-R222 PolarHBondContact O-NH1 3.4Å
190	F	98	Very high	89.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	128.4	171.7	-174.7	-88.9	0	0	0	110.3	R78 I79 T80 T188 L192 P223 I224 G226 A256 L257	R78-F190 PolarHBondContact O-N 3.4Å; I79-F190 VanDerWaalsContact CA-O 3.32Å; I79-F190 WeakPolarHBondContact CA-O 3.44Å; I79-F190 HydrophobicContact CG2-CD1 4.16Å; T80-F190 PolarHBondContact N-O 2.78Å; T188-F190 VanDerWaalsContact CG2-C 3.43Å; T188-F190 WeakPolarHBondContact CG2-O 3.19Å; F190-L192 HydrophobicContact CD1-CB 4.45Å; F190-L192 HydrophobicContact CE1-CB 4.07Å; F190-L192 HydrophobicContact CE1-CD1 4.11Å; F190-P223 HydrophobicContact CD2-CB 4.32Å; F190-P223 HydrophobicContact CE2-CB 3.86Å; F190-I224 CarbonylContact C-O 3.56Å; F190-I224 VanDerWaalsContact CA-O 3.3Å; F190-I224 WeakPolarHBondContact CA-O 3.05Å; F190-G226 VanDerWaalsContact CZ-N 3.35Å; F190-A256 HydrophobicContact CE1-CB 4.45Å; F190-A256 WeakPolarHBondContact CE2-O 3.44Å; F190-A256 HydrophobicContact CZ-CB 3.79Å; F190-L257 HydrophobicContact CB-CD2 4.24Å; F190-L257 HydrophobicContact CD1-CD2 3.98Å; F190-L257 HydrophobicContact CD2-CD2 3.72Å; F190-L257 HydrophobicContact CE1-CD2 4.23Å; F190-L257 HydrophobicContact CE2-CD2 3.99Å; F190-L257 HydrophobicContact CG-CD2 3.71Å; F190-L257 HydrophobicContact CZ-CD2 4.22Å
191	I	98.1	Very high	89.7	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.9	170.8	-176.9	161.2	0	0	0	110.7	T80 L122 L124 I185 T188 Y193 I224 A225 G226	T80-I191 WeakPolarHBondContact O-CA 3.4Å; T80-I191 WeakPolarHBondContact O-CG1 3.13Å; L122-I191 HydrophobicContact CD2-CB 3.98Å; L122-I191 HydrophobicContact CD2-CG2 3.71Å; L124-I191 HydrophobicContact CD1-CG2 4.15Å; L124-I191 HydrophobicContact CD2-CG2 4.45Å; I185-I191 HydrophobicContact CD1-CB 4.2Å; I185-I191 HydrophobicContact CD1-CD1 3.36Å; I185-I191 HydrophobicContact CD1-CG1 4.35Å; I185-I191 HydrophobicContact CD1-CG2 4.27Å; I185-I191 HydrophobicContact CG1-CD1 4.24Å; T188-I191 HydrophobicContact CG2-CB 4.23Å; I191-Y193 HydrophobicContact CB-CE2 4.48Å; I191-Y193 HydrophobicContact CD1-CE1 4.11Å; I191-Y193 HydrophobicContact CD1-CE2 4.07Å; I191-Y193 WeakPolarHBondContact CD1-OH 3.31Å; I191-Y193 HydrophobicContact CG1-CD2 4.4Å; I191-Y193 HydrophobicContact CG1-CE2 3.94Å; I191-Y193 HydrophobicContact CG2-CD2 4.5Å; I191-Y193 HydrophobicContact CG2-CE2 3.72Å; I191-I224 PolarHBondContact N-O 3.2Å; I191-A225 HydrophobicContact CG2-CB 3.6Å; I191-A225 VanDerWaalsContact O-CA 3.32Å; I191-A225 WeakPolarHBondContact O-CA 3.26Å; I191-G226 PolarHBondContact O-N 3.22Å
192	L	98.4	Very high	90.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.4	177.1	-177.7	73.2	0	0	0	109.8	I79 T80 P81 Y82 V102 F190 V194 G226 M228 I253 A256	I79-L192 HydrophobicContact CG2-CB 4.35Å; T80-L192 PolarHBondContact O-N 3.39Å; P81-L192 CarbonylContact C-O 3.45Å; P81-L192 WeakPolarHBondContact CA-O 3.5Å; Y82-L192 PolarHBondContact N-O 3.39Å; V102-L192 HydrophobicContact CG1-CD2 4.4Å; F190-L192 HydrophobicContact CD1-CB 4.45Å; F190-L192 HydrophobicContact CE1-CB 4.07Å; F190-L192 HydrophobicContact CE1-CD1 4.11Å; L192-V194 HydrophobicContact CD2-CG2 3.8Å; L192-V194 HydrophobicContact CG-CG2 3.88Å; L192-G226 WeakPolarHBondContact CA-O 3.4Å; L192-M228 HydrophobicContact CD1-CB 4.28Å; L192-M228 HydrophobicContact CD2-CE 4.21Å; L192-I253 HydrophobicContact CD2-CD1 4.04Å; L192-I253 HydrophobicContact CD2-CG1 3.68Å; L192-A256 HydrophobicContact CD1-CB 4.46Å
193	Y	98.1	Very high	91.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.1	173.1	-66.3	-87.7	0	0	0	110.1	Y82 L124 C151 A154 V156 H160 I191 G226 Y227 M228	Y82-Y193 AromaticContact CD1-CD1 3.48Å; Y82-Y193 HydrophobicContact CD1-CD1 3.48Å; Y82-Y193 VanDerWaalsContact CD1-CD1 3.48Å; Y82-Y193 AromaticContact CD1-CE1 3.81Å; Y82-Y193 HydrophobicContact CD1-CE1 3.81Å; Y82-Y193 HydrophobicContact CE1-CD1 4.23Å; Y82-Y193 HydrophobicContact CE1-CE1 4.42Å; Y82-Y193 HydrophobicContact CG-CD1 4.04Å; Y82-Y193 HydrophobicContact CG-CE1 4.07Å; L124-Y193 HydrophobicContact CD1-CE2 3.8Å; L124-Y193 WeakPolarHBondContact CD1-OH 3.38Å; C151-Y193 HydrophobicContact CB-CD2 3.74Å; C151-Y193 HydrophobicContact CB-CE2 4.18Å; C151-Y193 HydrophobicContact CB-CG 4.26Å; A154-Y193 HydrophobicContact CB-CD1 4.27Å; A154-Y193 HydrophobicContact CB-CG 4.3Å; V156-Y193 HydrophobicContact CG1-CE1 4.41Å; V156-Y193 WeakPolarHBondContact CG1-OH 3.46Å; V156-Y193 HydrophobicContact CG2-CE1 4.3Å; V156-Y193 HydrophobicContact CG2-CE2 4.25Å; H160-Y193 AromaticContact ND1-CE1 3.85Å; H160-Y193 AromaticContact ND1-CZ 3.82Å; H160-Y193 PolarHBondContact ND1-OH 2.74Å; I191-Y193 HydrophobicContact CB-CE2 4.48Å; I191-Y193 HydrophobicContact CD1-CE1 4.11Å; I191-Y193 HydrophobicContact CD1-CE2 4.07Å; I191-Y193 WeakPolarHBondContact CD1-OH 3.31Å; I191-Y193 HydrophobicContact CG1-CD2 4.4Å; I191-Y193 HydrophobicContact CG1-CE2 3.94Å; I191-Y193 HydrophobicContact CG2-CD2 4.5Å; I191-Y193 HydrophobicContact CG2-CE2 3.72Å; Y193-G226 PolarHBondContact N-O 3.3Å; Y193-Y227 CarbonylContact O-C 3.53Å; Y193-Y227 WeakPolarHBondContact O-CA 3.32Å; Y193-M228 PolarHBondContact O-N 2.9Å
194	V	97.9	Very high	91.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.9	-176.2	-177.2	0	0	0	0	109.8	Y82 F83 D84 V87 V102 L192 M228 I230	Y82-V194 PolarHBondContact O-N 2.98Å; F83-V194 HydrophobicContact CD1-CB 3.92Å; F83-V194 HydrophobicContact CD1-CG1 4.06Å; F83-V194 HydrophobicContact CE1-CB 4.21Å; F83-V194 HydrophobicContact CE1-CG1 4.19Å; F83-V194 HydrophobicContact CE1-CG2 4.47Å; D84-V194 WeakPolarHBondContact CB-O 3.38Å; D84-V194 PolarHBondContact N-O 2.85Å; V87-V194 HydrophobicContact CG2-CG1 4.32Å; V87-V194 WeakPolarHBondContact CG2-O 3.46Å; V102-V194 HydrophobicContact CG1-CG2 3.92Å; V102-V194 HydrophobicContact CG2-CG1 4.28Å; L192-V194 HydrophobicContact CD2-CG2 3.8Å; L192-V194 HydrophobicContact CG-CG2 3.88Å; V194-M228 WeakPolarHBondContact CA-O 3.45Å; V194-M228 HydrophobicContact CG1-CE 4.21Å; V194-M228 HydrophobicContact CG2-CE 4.05Å; V194-I230 HydrophobicContact CG1-CD1 4.43Å
195	S	96.9	Very high	89.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	160.4	177.1	59.5	0	0	0	0	111.3	S86 M228 N229 I230	S86-S195 WeakPolarHBondContact OG-CA 3.44Å; S86-S195 WeakPolarHBondContact OG-CB 3.48Å; S195-M228 PolarHBondContact N-O 3.31Å; S195-N229 WeakPolarHBondContact O-CA 3.39Å; S195-N229 PolarHBondContact O-OD1 3.21Å; S195-N229 WeakPolarHBondContact OG-CB 3.34Å; S195-N229 PolarHBondContact OG-OD1 2.83Å; S195-I230 PolarHBondContact O-N 3.13Å
196	S	95.6	Very high	88.5	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.021	26%	0.262	C	S	.	.			trans	-134.7	83.6	167.8	-166.9	0	0	0	0	109.7	S86 I230 P232	S86-S196 PolarHBondContact OG-N 3.13Å; S196-I230 VanDerWaalsContact CA-O 3.28Å; S196-I230 WeakPolarHBondContact CA-O 3.25Å; S196-I230 WeakPolarHBondContact CB-O 3.44Å; S196-I230 PolarHBondContact OG-O 2.62Å; S196-P232 WeakPolarHBondContact OG-CG 3.48Å
197	L	93.5	Very high	87.9	Confident	65 Å²	65	51.7 Å²	51.7	34%	0.34	24%	0.241	S	C	.	.			trans	-116.7	141.8	-179.5	-69.9	173.8	0	0	0	110.6	S86 E153 S199 C202 N229 P232	S86-L197 VanDerWaalsContact CB-CD2 3.43Å; E153-L197 HydrophobicContact CB-CD1 3.7Å; E153-L197 HydrophobicContact CG-CD1 4.47Å; L197-S199 PolarHBondContact O-N 3.21Å; L197-C202 PolarHBondContact O-SG 2.83Å; L197-C202 VanDerWaalsContact O-SG 3.36Å; L197-N229 PolarHBondContact N-OD1 2.77Å; L197-N229 PolarHBondContact O-ND2 3.38Å; L197-N229 VanDerWaalsContact O-ND2 3.09Å; L197-P232 WeakPolarHBondContact O-CD 3.37Å
198	N	91.6	Very high	87.6	Confident	101 Å²	101	47.1 Å²	47.1	54%	0.54	22%	0.217	S	C	.	.			trans	-80.9	67.8	171.4	-168.5	26.1	0	0	0	110.3	C202 P232	N198-C202 WeakPolarHBondContact OD1-CB 3.42Å; N198-P232 HydrophobicContact CB-CG 4.43Å
199	S	87.5	Confident	87.3	Confident	19 Å²	19	47.1 Å²	47.1	13%	0.133	22%	0.217	C	C	.	.			trans	-68.8	173	178.1	69.4	0	0	0	0	111.8	L197 R201 C202 R203 Y210	L197-S199 PolarHBondContact O-N 3.21Å; S199-R201 PolarHBondContact O-N 3.32Å; S199-C202 WeakPolarHBondContact O-CB 3.5Å; S199-C202 PolarHBondContact O-N 3.38Å; S199-R203 PolarHBondContact O-N 3.06Å; S199-Y210 VanDerWaalsContact CB-OH 3.24Å; S199-Y210 WeakPolarHBondContact CB-OH 3.13Å; S199-Y210 PolarHBondContact OG-OH 2.72Å
200	E	84.8	Confident	87	Confident	147 Å²	147	47.1 Å²	47.1	69%	0.687	22%	0.217	S	C	*	.	H	α-helix	trans	-56.6	-35.5	175.3	-174.3	171	-165.9	0	0	112.8	R203 H204	E200-R203 VanDerWaalsContact O-CB 3.31Å; E200-R203 WeakPolarHBondContact O-CB 3Å; E200-R203 PolarHBondContact O-N 3.45Å; E200-R203 VanDerWaalsContact O-N 3.11Å; E200-H204 PolarHBondContact O-ND1 3.21Å
201	R	78	Confident	86.7	Confident	61 Å²	61	47.1 Å²	47.1	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-40.1	174.8	-69.7	178.1	175.9	-107.4	-8.1	112.1	S26 Y27 E28 S199 R203 H204 N207 Y210	S26-R201 PolarHBondContact OG-NH1 2.9Å; Y27-R201 PolarHBondContact O-NH1 2.94Å; E28-R201 VanDerWaalsContact CB-CZ 3.43Å; E28-R201 VanDerWaalsContact CG-CZ 3.46Å; E28-R201 IonicContact OE1-CZ 2.78Å; E28-R201 IonicContact OE1-NE 3.44Å; E28-R201 PolarHBondContact OE1-NE 2.77Å; E28-R201 IonicContact OE1-NH2 3.74Å; E28-R201 PolarHBondContact OE1-NH2 2.78Å; E28-R201 IonicContact OE2-CZ 3.5Å; E28-R201 IonicContact OE2-NE 2.85Å; E28-R201 PolarHBondContact OE2-NE 2.04Å; E28-R201 IonicContact OE2-NH2 3.38Å; S199-R201 PolarHBondContact O-N 3.32Å; R201-R203 PolarHBondContact O-N 2.83Å; R201-H204 WeakPolarHBondContact O-CB 3.36Å; R201-H204 PolarHBondContact O-N 3.32Å; R201-H204 VanDerWaalsContact O-N 3.12Å; R201-N207 PolarHBondContact O-ND2 3.49Å; R201-Y210 HydrophobicContact CB-CD1 4.18Å; R201-Y210 HydrophobicContact CB-CE1 3.87Å
202	C	84.9	Confident	86.4	Confident	3 Å²	3	47 Å²	47	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-10.2	174.9	-65	0	0	0	0	113.6	L197 N198 S199 H204 N229 C231 H233	L197-C202 PolarHBondContact O-SG 2.83Å; L197-C202 VanDerWaalsContact O-SG 3.36Å; N198-C202 WeakPolarHBondContact OD1-CB 3.42Å; S199-C202 WeakPolarHBondContact O-CB 3.5Å; S199-C202 PolarHBondContact O-N 3.38Å; C202-H204 VanDerWaalsContact C-N 3.31Å; C202-N229 PolarHBondContact SG-ND2 3.18Å; C202-C231 WeakPolarHBondContact CA-SG 3.42Å; C202-C231 HydrophobicContact CB-CB 3.7Å; C202-C231 WeakPolarHBondContact CB-SG 3.12Å; C202-C231 WeakPolarHBondContact SG-CA 3.35Å; C202-C231 WeakPolarHBondContact SG-CB 3.24Å; C202-C231 CovalentContact SG-SG 2.04Å; C202-C231 PolarHBondContact SG-SG 3.36Å; C202-H233 PolarHBondContact O-CE1 3.21Å
203	R	82	Confident	86.2	Confident	183 Å²	183	47.1 Å²	47.1	69%	0.691	22%	0.217	S	C	*	.	H	α-helix	trans	-76.3	-22.5	171	-60.6	178.6	-178.9	174.6	-2	112.2	S199 E200 R201 K205	S199-R203 PolarHBondContact O-N 3.06Å; E200-R203 VanDerWaalsContact O-CB 3.31Å; E200-R203 WeakPolarHBondContact O-CB 3Å; E200-R203 PolarHBondContact O-N 3.45Å; E200-R203 VanDerWaalsContact O-N 3.11Å; R201-R203 PolarHBondContact O-N 2.83Å; R203-K205 PolarHBondContact O-N 3.43Å
204	H	72.5	Confident	85.9	Confident	115 Å²	115	47.9 Å²	47.9	53%	0.532	22%	0.222	S	C	.	.	S	Bend	trans	-78.5	106.6	168.5	-59.4	77.8	0	0	0	107.3	E200 R201 C202 E206 N207	E200-H204 PolarHBondContact O-ND1 3.21Å; R201-H204 WeakPolarHBondContact O-CB 3.36Å; R201-H204 PolarHBondContact O-N 3.32Å; R201-H204 VanDerWaalsContact O-N 3.12Å; C202-H204 VanDerWaalsContact C-N 3.31Å; H204-E206 PolarHBondContact O-N 3Å; H204-N207 PolarHBondContact O-N 2.96Å
205	K	59.1	Low	85.6	Confident	154 Å²	154	48.4 Å²	48.4	67%	0.67	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-14.6	-169.8	-70.5	-176.3	177.3	178.8	0	115.1	R203	R203-K205 PolarHBondContact O-N 3.43Å
206	E	67.7	Low	85.3	Confident	101 Å²	101	48.4 Å²	48.4	47%	0.472	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-21	179.5	-69	160	-170.4	0	0	112.4	F23 H24 H204 V208	F23-E206 CarbonylContact C-O 3.49Å; F23-E206 WeakPolarHBondContact CA-O 3.3Å; H24-E206 HydrophobicContact CB-CB 4.25Å; H24-E206 IonicContact CD2-OE2 2.69Å; H24-E206 PolarHBondContact CD2-OE2 3.28Å; H24-E206 VanDerWaalsContact CD2-OE2 3.23Å; H24-E206 PolarHBondContact N-O 2.8Å; H24-E206 VanDerWaalsContact N-O 3.15Å; H24-E206 VanDerWaalsContact O-O 3.1Å; H204-E206 PolarHBondContact O-N 3Å; E206-V208 PolarHBondContact O-N 3.09Å
207	N	77.9	Confident	84.8	Confident	14 Å²	14	49.1 Å²	49.1	8%	0.075	23%	0.228	C	C	.	.			trans	-84.4	115.2	-177.8	-64.7	-25.9	0	0	0	111.3	H24 S26 R201 H204 C231	H24-N207 PolarHBondContact O-OD1 2.85Å; S26-N207 WeakPolarHBondContact CB-OD1 3.4Å; R201-N207 PolarHBondContact O-ND2 3.49Å; H204-N207 PolarHBondContact O-N 2.96Å; N207-C231 PolarHBondContact O-SG 2.97Å; N207-C231 VanDerWaalsContact O-SG 3.39Å
208	V	85.2	Confident	84	Confident	19 Å²	19	51.1 Å²	51.1	12%	0.115	23%	0.234	C	C	.	.			trans	-86.4	-42.4	176.4	175.7	0	0	0	0	111.5	F23 E206 C231 L245 T248	F23-V208 HydrophobicContact CB-CG2 3.91Å; F23-V208 HydrophobicContact CD1-CG2 3.88Å; F23-V208 HydrophobicContact CG-CG2 4.02Å; E206-V208 PolarHBondContact O-N 3.09Å; V208-C231 WeakPolarHBondContact O-CB 3.39Å; V208-C231 PolarHBondContact O-N 3.34Å; V208-L245 HydrophobicContact CG1-CD2 4Å; V208-T248 HydrophobicContact CG1-CG2 4.06Å
209	A	89.6	Confident	83.4	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.017	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	171.6	178	0	0	0	0	0	109.7	N229 T248 E252	A209-N229 VanDerWaalsContact CA-O 3.29Å; A209-N229 WeakPolarHBondContact CA-O 3.41Å; A209-N229 WeakPolarHBondContact CB-O 3.19Å; A209-T248 HydrophobicContact CB-CG2 3.85Å; A209-E252 HydrophobicContact CB-CG 3.73Å
210	Y	90	Very high	83.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149.7	170.7	57.7	-86.8	0	0	0	110.6	S26 E153 S199 R201 Y227 M228 N229 E252	S26-Y210 WeakPolarHBondContact O-CB 3.08Å; E153-Y210 HydrophobicContact CG-CE2 4.47Å; E153-Y210 WeakPolarHBondContact CG-OH 3.19Å; E153-Y210 PolarHBondContact OE1-OH 2.72Å; S199-Y210 VanDerWaalsContact CB-OH 3.24Å; S199-Y210 WeakPolarHBondContact CB-OH 3.13Å; S199-Y210 PolarHBondContact OG-OH 2.72Å; R201-Y210 HydrophobicContact CB-CD1 4.18Å; R201-Y210 HydrophobicContact CB-CE1 3.87Å; Y210-Y227 AromaticContact CD2-CE2 3.92Å; Y210-Y227 HydrophobicContact CD2-CE2 3.92Å; Y210-Y227 AromaticContact CE2-CE2 3.91Å; Y210-Y227 HydrophobicContact CE2-CE2 3.91Å; Y210-M228 WeakPolarHBondContact O-CA 3.18Å; Y210-N229 HydrophobicContact CD1-CB 4.33Å; Y210-N229 HydrophobicContact CD2-CB 4.36Å; Y210-N229 HydrophobicContact CE1-CB 3.79Å; Y210-N229 VanDerWaalsContact CE1-ND2 3.32Å; Y210-N229 WeakPolarHBondContact CE1-ND2 3.32Å; Y210-N229 HydrophobicContact CE2-CB 3.83Å; Y210-N229 PolarHBondContact N-O 3.43Å; Y210-N229 VanDerWaalsContact N-O 3.12Å; Y210-N229 PolarHBondContact O-N 3.35Å; Y210-N229 PolarHBondContact OH-ND2 3.11Å; Y210-E252 VanDerWaalsContact CA-OE2 3.28Å; Y210-E252 WeakPolarHBondContact CA-OE2 3.47Å
211	A	91.8	Very high	83.5	Confident	0 Å²	0	45 Å²	45	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	154.8	179.9	0	0	0	0	0	113.6	Y227 M228 E252	A211-Y227 WeakPolarHBondContact CA-O 3.41Å; A211-Y227 WeakPolarHBondContact CB-O 3.22Å; A211-M228 HydrophobicContact CB-CB 4.04Å; A211-M228 HydrophobicContact CB-CG 4.41Å; A211-E252 HydrophobicContact CB-CB 3.62Å; A211-E252 HydrophobicContact CB-CG 4.3Å; A211-E252 WeakPolarHBondContact CB-O 3.35Å; A211-E252 WeakPolarHBondContact CB-OE2 3.48Å; A211-E252 PolarHBondContact N-OE2 3.49Å
212	A	91.6	Very high	84.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	166.2	174	0	0	0	0	0	111.5	E28 G226 Y227	E28-A212 WeakPolarHBondContact O-CB 3Å; A212-G226 CarbonylContact O-C 3.55Å; A212-G226 WeakPolarHBondContact O-CA 3.4Å; A212-Y227 HydrophobicContact CB-CD1 4.5Å; A212-Y227 HydrophobicContact CB-CE1 3.72Å; A212-Y227 PolarHBondContact N-O 3.43Å; A212-Y227 PolarHBondContact O-N 2.85Å
213	H	93.7	Very high	84.7	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148	166.3	72.4	-77.2	0	0	0	109.8	P223 L263	H213-P223 HydrophobicContact CB-CB 4.02Å; H213-P223 HydrophobicContact CB-CG 4.22Å; H213-L263 HydrophobicContact CB-CD1 4.29Å; H213-L263 WeakPolarHBondContact CE1-CD2 3.16Å; H213-L263 WeakPolarHBondContact ND1-CG 3.11Å
214	C	92.6	Very high	85.4	Confident	16 Å²	16	33.6 Å²	33.6	11%	0.108	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-22.6	174.6	65.9	0	0	0	0	113.1	C151 A225	C151-C214 HydrophobicContact CB-CB 3.91Å; C151-C214 WeakPolarHBondContact CB-SG 3.23Å; C151-C214 WeakPolarHBondContact SG-CB 3.24Å; C151-C214 CovalentContact SG-SG 2.04Å; C151-C214 PolarHBondContact SG-SG 2.85Å; C214-A225 PolarHBondContact N-O 3.09Å; C214-A225 VanDerWaalsContact SG-CB 3.59Å
215	Q	91.5	Very high	86.5	Confident	10 Å²	10	28.1 Å²	28.1	5%	0.047	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.6	175.1	-66.4	-161.5	-5.4	0	0	112.9	L124 D125 P223 I224 A225	L124-Q215 VanDerWaalsContact CA-OE1 3.3Å; L124-Q215 VanDerWaalsContact CB-OE1 3.28Å; D125-Q215 PolarHBondContact O-NE2 2.93Å; Q215-P223 WeakPolarHBondContact O-CA 3.42Å; Q215-I224 HydrophobicContact CB-CG1 4.49Å; Q215-I224 PolarHBondContact O-N 2.84Å; Q215-A225 HydrophobicContact CB-CB 4.21Å; Q215-A225 PolarHBondContact N-O 3.31Å; Q215-A225 PolarHBondContact O-N 2.71Å
216	M	89.6	Confident	88.3	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.1	-177.4	-66.8	-171.7	-78	0	0	111.9	T55 S56 V57 R222 P223 L263 Y266	T55-M216 HydrophobicContact CG2-CE 3.21Å; S56-M216 CarbonylContact C-O 3.56Å; S56-M216 CarbonylContact O-C 3.58Å; S56-M216 PolarHBondContact O-N 2.74Å; V57-M216 PolarHBondContact N-O 2.8Å; M216-R222 CarbonylContact C-O 3.54Å; M216-R222 WeakPolarHBondContact CA-O 3.32Å; M216-P223 HydrophobicContact CG-CG 4.29Å; M216-L263 HydrophobicContact CE-CD2 4.44Å; M216-L263 HydrophobicContact SD-CD2 3.53Å; M216-L263 VanDerWaalsContact SD-CD2 3.53Å; M216-Y266 HydrophobicContact CE-CD1 4.35Å; M216-Y266 HydrophobicContact CE-CD2 4.31Å; M216-Y266 HydrophobicContact CE-CE1 4.09Å; M216-Y266 HydrophobicContact CE-CE2 4.07Å; M216-Y266 HydrophobicContact CE-CG 4.43Å; M216-Y266 HydrophobicContact SD-CG 4.39Å
217	E	86	Confident	89.7	Confident	18 Å²	18	16 Å²	16	8%	0.084	8%	0.077	C	C	.	.			trans	-73.1	152.9	174.3	67.8	77.7	-152.2	0	0	113.4	V57 E219 F220 N221 R222 I224	V57-E217 HydrophobicContact CG1-CB 4.31Å; V57-E217 CarbonylContact O-C 3.55Å; E217-E219 WeakPolarHBondContact OE2-CA 3.06Å; E217-E219 VanDerWaalsContact OE2-CB 3.3Å; E217-E219 WeakPolarHBondContact OE2-CB 3.28Å; E217-E219 PolarHBondContact OE2-N 2.98Å; E217-F220 WeakPolarHBondContact OE1-CA 3.32Å; E217-F220 WeakPolarHBondContact OE1-CB 3.45Å; E217-F220 PolarHBondContact OE1-N 2.9Å; E217-F220 PolarHBondContact OE2-N 2.96Å; E217-N221 WeakPolarHBondContact O-CA 3.38Å; E217-N221 PolarHBondContact O-N 3.48Å; E217-R222 HydrophobicContact CG-CB 3.99Å; E217-R222 PolarHBondContact N-O 3.03Å; E217-R222 WeakPolarHBondContact OE1-CB 3.36Å; E217-R222 PolarHBondContact OE1-N 3.36Å; E217-I224 HydrophobicContact CB-CD1 4.14Å; E217-I224 HydrophobicContact CB-CG2 3.73Å; E217-I224 HydrophobicContact CG-CG2 3.76Å
218	F	76.3	Confident	90.5	Very high	106 Å²	106	15.4 Å²	15.4	47%	0.465	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-33.6	-167.3	177.2	-95.5	0	0	0	114.9	V57 V58 F220	V57-F218 WeakPolarHBondContact O-CA 3.49Å; V57-F218 WeakPolarHBondContact O-CB 3.25Å; V57-F218 PolarHBondContact O-N 2.94Å; V58-F218 HydrophobicContact CB-CB 4.47Å; V58-F218 HydrophobicContact CG2-CB 3.86Å; V58-F218 HydrophobicContact CG2-CD1 4.37Å; V58-F218 HydrophobicContact CG2-CD2 4.04Å; V58-F218 HydrophobicContact CG2-CG 3.85Å; F218-F220 PolarHBondContact O-N 3.13Å
219	E	78.3	Confident	90.9	Very high	85 Å²	85	14.5 Å²	14.5	40%	0.397	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-42.9	-172.9	-166.3	172.6	179.5	0	0	110.8	K71 E217	K71-E219 IonicContact NZ-OE1 2.77Å; K71-E219 IonicContact NZ-OE2 3.18Å; K71-E219 PolarHBondContact NZ-OE2 3.44Å; E217-E219 WeakPolarHBondContact OE2-CA 3.06Å; E217-E219 VanDerWaalsContact OE2-CB 3.3Å; E217-E219 WeakPolarHBondContact OE2-CB 3.28Å; E217-E219 PolarHBondContact OE2-N 2.98Å
220	F	85.3	Confident	91.1	Very high	42 Å²	42	14.7 Å²	14.7	18%	0.184	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	4.6	-178.6	-51.8	-76.2	0	0	0	114.8	E217 F218 R222 R268 W392	E217-F220 WeakPolarHBondContact OE1-CA 3.32Å; E217-F220 WeakPolarHBondContact OE1-CB 3.45Å; E217-F220 PolarHBondContact OE1-N 2.9Å; E217-F220 PolarHBondContact OE2-N 2.96Å; F218-F220 PolarHBondContact O-N 3.13Å; F220-R222 PolarHBondContact O-N 2.9Å; F220-R268 VanDerWaalsContact C-NE 3.35Å; F220-R268 PolarHBondContact O-NE 3.07Å; F220-W392 PolarHBondContact O-NE1 3.05Å
221	N	89.3	Confident	91.2	Very high	11 Å²	11	14.7 Å²	14.7	6%	0.059	7%	0.068	C	C	.	.			trans	55.6	32.5	-172.7	-50.6	116.5	0	0	0	112.5	E217 Y266 R268 W392	E217-N221 WeakPolarHBondContact O-CA 3.38Å; E217-N221 PolarHBondContact O-N 3.48Å; N221-Y266 HydrophobicContact CB-CD1 3.65Å; N221-Y266 HydrophobicContact CB-CE1 4.47Å; N221-Y266 HydrophobicContact CB-CG 4.32Å; N221-R268 PolarHBondContact OD1-NH2 3.24Å; N221-W392 WeakPolarHBondContact O-CZ2 3.37Å
222	R	93.3	Very high	91.3	Very high	8 Å²	8	16.3 Å²	16.3	3%	0.03	8%	0.079	C	C	.	.			trans	-82.8	134.6	-179.7	179.5	179.6	65.8	91.9	-5.4	110.5	D189 M216 E217 F220 I224 W392	D189-R222 PolarHBondContact O-NH1 3.4Å; M216-R222 CarbonylContact C-O 3.54Å; M216-R222 WeakPolarHBondContact CA-O 3.32Å; E217-R222 HydrophobicContact CG-CB 3.99Å; E217-R222 PolarHBondContact N-O 3.03Å; E217-R222 WeakPolarHBondContact OE1-CB 3.36Å; E217-R222 PolarHBondContact OE1-N 3.36Å; F220-R222 PolarHBondContact O-N 2.9Å; R222-I224 PolarHBondContact O-N 3.19Å; R222-W392 HydrophobicContact CB-CB 4.27Å; R222-W392 HydrophobicContact CB-CD2 3.94Å; R222-W392 HydrophobicContact CB-CG 3.7Å; R222-W392 HydrophobicContact CG-CB 3.76Å; R222-W392 HydrophobicContact CG-CD2 3.9Å; R222-W392 HydrophobicContact CG-CE3 4.27Å; R222-W392 HydrophobicContact CG-CG 3.65Å
223	P	95.8	Very high	91	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	131.2	167.9	-27.4	35.5	0	0	0	112.1	F190 H213 Q215 M216 A256 L263 W392	F190-P223 HydrophobicContact CD2-CB 4.32Å; F190-P223 HydrophobicContact CE2-CB 3.86Å; H213-P223 HydrophobicContact CB-CB 4.02Å; H213-P223 HydrophobicContact CB-CG 4.22Å; Q215-P223 WeakPolarHBondContact O-CA 3.42Å; M216-P223 HydrophobicContact CG-CG 4.29Å; P223-A256 WeakPolarHBondContact CB-O 3.44Å; P223-L263 HydrophobicContact CG-CD1 3.6Å; P223-L263 HydrophobicContact CG-CD2 3.91Å; P223-L263 HydrophobicContact CG-CG 4.44Å; P223-W392 HydrophobicContact CG-CE3 4.41Å; P223-W392 HydrophobicContact CG-CH2 4.17Å; P223-W392 HydrophobicContact CG-CZ3 3.81Å
224	I	95.8	Very high	90.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-10.7	175	62.9	174.1	0	0	0	112.6	V57 L118 L122 F190 I191 Q215 E217 R222	V57-I224 HydrophobicContact CB-CD1 3.57Å; V57-I224 HydrophobicContact CG1-CD1 3.64Å; V57-I224 HydrophobicContact CG2-CD1 3.42Å; V57-I224 VanDerWaalsContact CG2-CD1 3.42Å; L118-I224 HydrophobicContact CD1-CG2 4.42Å; L118-I224 HydrophobicContact CD2-CG2 4.38Å; L122-I224 HydrophobicContact CD1-CB 4.07Å; L122-I224 HydrophobicContact CD1-CD1 3.51Å; L122-I224 HydrophobicContact CD1-CG1 4.06Å; L122-I224 WeakPolarHBondContact CD2-O 3.23Å; F190-I224 CarbonylContact C-O 3.56Å; F190-I224 VanDerWaalsContact CA-O 3.3Å; F190-I224 WeakPolarHBondContact CA-O 3.05Å; I191-I224 PolarHBondContact N-O 3.2Å; Q215-I224 HydrophobicContact CB-CG1 4.49Å; Q215-I224 PolarHBondContact O-N 2.84Å; E217-I224 HydrophobicContact CB-CD1 4.14Å; E217-I224 HydrophobicContact CB-CG2 3.73Å; E217-I224 HydrophobicContact CG-CG2 3.76Å; R222-I224 PolarHBondContact O-N 3.19Å
225	A	96.6	Very high	90.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.8	170.1	0	0	0	0	0	109.8	L124 I191 C214 Q215	L124-A225 HydrophobicContact CD1-CB 3.88Å; L124-A225 HydrophobicContact CD2-CB 3.71Å; L124-A225 HydrophobicContact CG-CB 4.48Å; I191-A225 HydrophobicContact CG2-CB 3.6Å; I191-A225 VanDerWaalsContact O-CA 3.32Å; I191-A225 WeakPolarHBondContact O-CA 3.26Å; C214-A225 PolarHBondContact N-O 3.09Å; C214-A225 VanDerWaalsContact SG-CB 3.59Å; Q215-A225 HydrophobicContact CB-CB 4.21Å; Q215-A225 PolarHBondContact N-O 3.31Å; Q215-A225 PolarHBondContact O-N 2.71Å
226	G	96.8	Very high	90.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	176.9	171.1	0	0	0	0	0	110.9	F190 I191 L192 Y193 A212	F190-G226 VanDerWaalsContact CZ-N 3.35Å; I191-G226 PolarHBondContact O-N 3.22Å; L192-G226 WeakPolarHBondContact CA-O 3.4Å; Y193-G226 PolarHBondContact N-O 3.3Å; A212-G226 CarbonylContact O-C 3.55Å; A212-G226 WeakPolarHBondContact O-CA 3.4Å
227	Y	96.1	Very high	90.1	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158	179.7	68.7	-88.3	0	0	0	110.8	E28 C151 G152 Y193 Y210 A211 A212	E28-Y227 PolarHBondContact OE2-OH 2.98Å; C151-Y227 WeakPolarHBondContact O-CB 3.28Å; G152-Y227 VanDerWaalsContact CA-CE1 3.47Å; G152-Y227 VanDerWaalsContact CA-CG 3.46Å; G152-Y227 VanDerWaalsContact N-CD1 3.33Å; Y193-Y227 CarbonylContact O-C 3.53Å; Y193-Y227 WeakPolarHBondContact O-CA 3.32Å; Y210-Y227 AromaticContact CD2-CE2 3.92Å; Y210-Y227 HydrophobicContact CD2-CE2 3.92Å; Y210-Y227 AromaticContact CE2-CE2 3.91Å; Y210-Y227 HydrophobicContact CE2-CE2 3.91Å; A211-Y227 WeakPolarHBondContact CA-O 3.41Å; A211-Y227 WeakPolarHBondContact CB-O 3.22Å; A212-Y227 HydrophobicContact CB-CD1 4.5Å; A212-Y227 HydrophobicContact CB-CE1 3.72Å; A212-Y227 PolarHBondContact N-O 3.43Å; A212-Y227 PolarHBondContact O-N 2.85Å
228	M	95	Very high	90	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.2	168	172.5	175.6	58.4	0	0	108.1	V102 L192 Y193 V194 S195 Y210 A211 I230 M249 E252	V102-M228 HydrophobicContact CG1-CE 4.47Å; V102-M228 HydrophobicContact CG2-CE 3.72Å; L192-M228 HydrophobicContact CD1-CB 4.28Å; L192-M228 HydrophobicContact CD2-CE 4.21Å; Y193-M228 PolarHBondContact O-N 2.9Å; V194-M228 WeakPolarHBondContact CA-O 3.45Å; V194-M228 HydrophobicContact CG1-CE 4.21Å; V194-M228 HydrophobicContact CG2-CE 4.05Å; S195-M228 PolarHBondContact N-O 3.31Å; Y210-M228 WeakPolarHBondContact O-CA 3.18Å; A211-M228 HydrophobicContact CB-CB 4.04Å; A211-M228 HydrophobicContact CB-CG 4.41Å; M228-I230 HydrophobicContact CE-CD1 4.2Å; M228-I230 HydrophobicContact CE-CG1 4.46Å; M228-I230 HydrophobicContact CG-CG1 4.17Å; M228-I230 HydrophobicContact SD-CG1 4.31Å; M228-M249 HydrophobicContact CE-CB 4.45Å; M228-M249 HydrophobicContact CE-CG 4.33Å; M228-M249 HydrophobicContact SD-CB 4.44Å; M228-M249 HydrophobicContact SD-CG 4.42Å; M228-E252 HydrophobicContact CB-CB 4.49Å; M228-E252 HydrophobicContact CG-CB 3.82Å; M228-E252 HydrophobicContact CG-CG 4.11Å; M228-E252 HydrophobicContact SD-CB 3.38Å; M228-E252 WeakPolarHBondContact SD-CB 3.18Å; M228-E252 HydrophobicContact SD-CG 3.86Å
229	N	94.7	Very high	90.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.4	170.3	-176.2	75.9	0	0	0	109.8	E153 S195 L197 C202 A209 Y210	E153-N229 HydrophobicContact CG-CB 4.07Å; S195-N229 WeakPolarHBondContact O-CA 3.39Å; S195-N229 PolarHBondContact O-OD1 3.21Å; S195-N229 WeakPolarHBondContact OG-CB 3.34Å; S195-N229 PolarHBondContact OG-OD1 2.83Å; L197-N229 PolarHBondContact N-OD1 2.77Å; L197-N229 PolarHBondContact O-ND2 3.38Å; L197-N229 VanDerWaalsContact O-ND2 3.09Å; C202-N229 PolarHBondContact SG-ND2 3.18Å; A209-N229 VanDerWaalsContact CA-O 3.29Å; A209-N229 WeakPolarHBondContact CA-O 3.41Å; A209-N229 WeakPolarHBondContact CB-O 3.19Å; Y210-N229 HydrophobicContact CD1-CB 4.33Å; Y210-N229 HydrophobicContact CD2-CB 4.36Å; Y210-N229 HydrophobicContact CE1-CB 3.79Å; Y210-N229 VanDerWaalsContact CE1-ND2 3.32Å; Y210-N229 WeakPolarHBondContact CE1-ND2 3.32Å; Y210-N229 HydrophobicContact CE2-CB 3.83Å; Y210-N229 PolarHBondContact N-O 3.43Å; Y210-N229 VanDerWaalsContact N-O 3.12Å; Y210-N229 PolarHBondContact O-N 3.35Å; Y210-N229 PolarHBondContact OH-ND2 3.11Å
230	I	93.7	Very high	90.5	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122	176.7	-51.9	175.5	0	0	0	108.5	V98 V102 V194 S195 S196 M228 P232 V235 M249	V98-I230 HydrophobicContact CG1-CD1 3.85Å; V98-I230 HydrophobicContact CG2-CD1 4.42Å; V102-I230 HydrophobicContact CG2-CD1 4.38Å; V194-I230 HydrophobicContact CG1-CD1 4.43Å; S195-I230 PolarHBondContact O-N 3.13Å; S196-I230 VanDerWaalsContact CA-O 3.28Å; S196-I230 WeakPolarHBondContact CA-O 3.25Å; S196-I230 WeakPolarHBondContact CB-O 3.44Å; S196-I230 PolarHBondContact OG-O 2.62Å; M228-I230 HydrophobicContact CE-CD1 4.2Å; M228-I230 HydrophobicContact CE-CG1 4.46Å; M228-I230 HydrophobicContact CG-CG1 4.17Å; M228-I230 HydrophobicContact SD-CG1 4.31Å; I230-P232 WeakPolarHBondContact O-CD 3.29Å; I230-V235 HydrophobicContact CG2-CG2 3.61Å; I230-M249 HydrophobicContact CD1-CE 4.03Å; I230-M249 HydrophobicContact CD1-CG 4.34Å
231	C	92.5	Very high	90.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.			trans	-65.6	123	-177.6	-65.4	0	0	0	0	110.8	C202 N207 V208 H233 S234	C202-C231 WeakPolarHBondContact CA-SG 3.42Å; C202-C231 HydrophobicContact CB-CB 3.7Å; C202-C231 WeakPolarHBondContact CB-SG 3.12Å; C202-C231 WeakPolarHBondContact SG-CA 3.35Å; C202-C231 WeakPolarHBondContact SG-CB 3.24Å; C202-C231 CovalentContact SG-SG 2.04Å; C202-C231 PolarHBondContact SG-SG 3.36Å; N207-C231 PolarHBondContact O-SG 2.97Å; N207-C231 VanDerWaalsContact O-SG 3.39Å; V208-C231 WeakPolarHBondContact O-CB 3.39Å; V208-C231 PolarHBondContact O-N 3.34Å; C231-H233 PolarHBondContact O-N 3.02Å; C231-S234 PolarHBondContact O-N 3.4Å
232	P	92.1	Very high	90.3	Very high	34 Å²	34	25.8 Å²	25.8	22%	0.221	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.2	-171.4	-27.6	32.5	0	0	0	115	L90 S196 L197 N198 I230 S234	L90-P232 HydrophobicContact CD2-CB 4.21Å; S196-P232 WeakPolarHBondContact OG-CG 3.48Å; L197-P232 WeakPolarHBondContact O-CD 3.37Å; N198-P232 HydrophobicContact CB-CG 4.43Å; I230-P232 WeakPolarHBondContact O-CD 3.29Å; P232-S234 VanDerWaalsContact C-N 3.29Å; P232-S234 PolarHBondContact O-N 3.18Å
233	H	87.1	Confident	90	Very high	97 Å²	97	29.2 Å²	29.2	45%	0.449	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.4	-179.5	68.1	-89.6	0	0	0	113.1	C202 C231	C202-H233 PolarHBondContact O-CE1 3.21Å; C231-H233 PolarHBondContact O-N 3.02Å
234	S	86.2	Confident	89.4	Confident	26 Å²	26	30.4 Å²	30.4	18%	0.182	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-11.4	-178.4	-42.8	0	0	0	0	112.6	C231 P232 S236	C231-S234 PolarHBondContact O-N 3.4Å; P232-S234 VanDerWaalsContact C-N 3.29Å; P232-S234 PolarHBondContact O-N 3.18Å; S234-S236 PolarHBondContact O-N 2.74Å
235	V	88.9	Confident	89	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.024	16%	0.158	C	C	.	.			trans	-70.7	116.6	176.3	-176.7	0	0	0	0	109.3	K94 V98 I230	K94-V235 HydrophobicContact CB-CG1 3.74Å; K94-V235 HydrophobicContact CD-CB 4.28Å; K94-V235 HydrophobicContact CD-CG1 4.07Å; K94-V235 WeakPolarHBondContact CD-O 3.49Å; K94-V235 WeakPolarHBondContact CE-O 3.46Å; K94-V235 HydrophobicContact CG-CG1 4.04Å; K94-V235 PolarHBondContact NZ-O 2.86Å; V98-V235 HydrophobicContact CG2-CG1 3.62Å; V98-V235 HydrophobicContact CG2-CG2 4.16Å; I230-V235 HydrophobicContact CG2-CG2 3.61Å
236	S	86.6	Confident	88.8	Confident	20 Å²	20	33.3 Å²	33.3	14%	0.14	17%	0.168	C	C	.	.			trans	-125.9	140.2	173.6	-177.3	0	0	0	0	109.9	F97 S234 E238 D241 L245	F97-S236 WeakPolarHBondContact CE1-O 3.33Å; S234-S236 PolarHBondContact O-N 2.74Å; S236-E238 PolarHBondContact OG-N 3.34Å; S236-D241 WeakPolarHBondContact CB-OD2 3.42Å; S236-D241 PolarHBondContact OG-OD2 3.24Å; S236-L245 WeakPolarHBondContact O-CD1 3.31Å
237	A	85.5	Confident	88.6	Confident	19 Å²	19	33.6 Å²	33.6	16%	0.157	17%	0.171	C	C	.	.			trans	-102.5	6.6	175.2	0	0	0	0	0	112	E93 F97 H242	E93-A237 HydrophobicContact CG-CB 3.68Å; F97-A237 HydrophobicContact CB-CB 4.19Å; F97-A237 HydrophobicContact CG-CB 4.35Å; A237-H242 PolarHBondContact O-NE2 3.43Å
238	E	85	Confident	88.4	Confident	93 Å²	93	34.1 Å²	34.1	44%	0.435	17%	0.174	S	C	.	.	S	Bend	trans	-69.8	136.5	177.7	-62.7	-178.2	-172.3	0	0	110.7	S236 K240 D241 H242	S236-E238 PolarHBondContact OG-N 3.34Å; E238-K240 VanDerWaalsContact C-N 3.28Å; E238-K240 HydrophobicContact CB-CG 4.26Å; E238-K240 PolarHBondContact O-N 2.98Å; E238-K240 VanDerWaalsContact O-N 3.16Å; E238-K240 WeakPolarHBondContact OE2-CE 3.43Å; E238-K240 IonicContact OE2-NZ 3.11Å; E238-K240 PolarHBondContact OE2-NZ 3.38Å; E238-K240 VanDerWaalsContact OE2-NZ 3.12Å; E238-D241 WeakPolarHBondContact O-CB 3.34Å; E238-D241 PolarHBondContact O-N 2.85Å; E238-H242 VanDerWaalsContact C-CD2 3.46Å; E238-H242 PolarHBondContact O-CD2 2.99Å; E238-H242 PolarHBondContact O-N 2.83Å; E238-H242 PolarHBondContact O-NE2 3.21Å
239	E	83	Confident	88.4	Confident	141 Å²	141	34.4 Å²	34.4	66%	0.659	18%	0.175	S	C	*	.	H	α-helix	trans	-49.9	-43.4	-175.3	-176.4	179.3	179	0	0	113.8	D241 H242	E239-D241 PolarHBondContact O-N 2.85Å; E239-H242 VanDerWaalsContact O-CB 3.27Å; E239-H242 WeakPolarHBondContact O-CB 3.18Å; E239-H242 PolarHBondContact O-N 2.95Å; E239-H242 VanDerWaalsContact O-N 3.1Å
240	K	81.6	Confident	88.5	Confident	11 Å²	11	35.2 Å²	35.2	5%	0.048	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-30.6	177	56.4	163.7	-178.3	174.4	0	113.3	E238 H242 Y518 R522 L525	E238-K240 VanDerWaalsContact C-N 3.28Å; E238-K240 HydrophobicContact CB-CG 4.26Å; E238-K240 PolarHBondContact O-N 2.98Å; E238-K240 VanDerWaalsContact O-N 3.16Å; E238-K240 WeakPolarHBondContact OE2-CE 3.43Å; E238-K240 IonicContact OE2-NZ 3.11Å; E238-K240 PolarHBondContact OE2-NZ 3.38Å; E238-K240 VanDerWaalsContact OE2-NZ 3.12Å; K240-H242 VanDerWaalsContact C-N 3.31Å; K240-Y518 HydrophobicContact CD-CE1 4.45Å; K240-Y518 HydrophobicContact CD-CE2 4.39Å; K240-Y518 PolarHBondContact NZ-O 3.36Å; K240-R522 PolarHBondContact O-NH2 2.78Å; K240-L525 HydrophobicContact CB-CD1 3.87Å
241	D	83.5	Confident	88.6	Confident	12 Å²	12	35.2 Å²	35.2	6%	0.064	18%	0.179	C	C	.	.	H	α-helix	trans	-86.4	-8.2	-177.3	-59.9	-29.8	0	0	0	111.6	S236 E238 E239 V244 L245 Y518	S236-D241 WeakPolarHBondContact CB-OD2 3.42Å; S236-D241 PolarHBondContact OG-OD2 3.24Å; E238-D241 WeakPolarHBondContact O-CB 3.34Å; E238-D241 PolarHBondContact O-N 2.85Å; E239-D241 PolarHBondContact O-N 2.85Å; D241-V244 PolarHBondContact O-N 3.2Å; D241-L245 HydrophobicContact CB-CD1 4.31Å; D241-L245 WeakPolarHBondContact O-CB 3.5Å; D241-L245 WeakPolarHBondContact O-CG 3.44Å; D241-L245 PolarHBondContact O-N 2.96Å; D241-Y518 VanDerWaalsContact OD1-CZ 3.31Å; D241-Y518 PolarHBondContact OD1-OH 3.38Å
242	H	86.5	Confident	88.7	Confident	69 Å²	69	35.2 Å²	35.2	32%	0.319	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-51.3	-173.7	-72.6	-164.5	0	0	0	112	F97 A237 E238 E239 K240 V244 F246	F97-H242 AromaticContact CD2-CD2 3.96Å; F97-H242 AromaticContact CD2-NE2 3.82Å; F97-H242 HydrophobicContact CE2-CB 4.19Å; F97-H242 AromaticContact CE2-CD2 3.18Å; F97-H242 WeakPolarHBondContact CE2-CD2 3.28Å; F97-H242 AromaticContact CE2-CE1 4Å; F97-H242 AromaticContact CE2-CG 3.56Å; F97-H242 AromaticContact CE2-NE2 3.5Å; F97-H242 HydrophobicContact CZ-CB 4.44Å; F97-H242 AromaticContact CZ-CD2 3.84Å; A237-H242 PolarHBondContact O-NE2 3.43Å; E238-H242 VanDerWaalsContact C-CD2 3.46Å; E238-H242 PolarHBondContact O-CD2 2.99Å; E238-H242 PolarHBondContact O-N 2.83Å; E238-H242 PolarHBondContact O-NE2 3.21Å; E239-H242 VanDerWaalsContact O-CB 3.27Å; E239-H242 WeakPolarHBondContact O-CB 3.18Å; E239-H242 PolarHBondContact O-N 2.95Å; E239-H242 VanDerWaalsContact O-N 3.1Å; K240-H242 VanDerWaalsContact C-N 3.31Å; H242-V244 PolarHBondContact O-N 3.48Å; H242-F246 WeakPolarHBondContact O-CB 3.31Å; H242-F246 PolarHBondContact O-N 3.21Å
243	E	86.2	Confident	89	Confident	80 Å²	80	33.6 Å²	33.6	37%	0.374	17%	0.168	S	C	.	.	H	α-helix	trans	-62.6	-43.8	-178.9	-172.6	-173.7	173.5	0	0	111.8	F246 S247 R522	E243-F246 PolarHBondContact O-N 3.28Å; E243-S247 VanDerWaalsContact O-CB 3.31Å; E243-S247 WeakPolarHBondContact O-CB 3.48Å; E243-S247 PolarHBondContact O-N 3.39Å; E243-R522 IonicContact OE2-CZ 2.85Å; E243-R522 IonicContact OE2-NH1 3.98Å; E243-R522 PolarHBondContact OE2-NH1 2.9Å
244	V	84.8	Confident	89.5	Confident	25 Å²	25	29 Å²	29	15%	0.152	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-56.1	179.9	169.8	0	0	0	0	110.4	D241 H242 F246 S247 T248 H373	D241-V244 PolarHBondContact O-N 3.2Å; H242-V244 PolarHBondContact O-N 3.48Å; V244-F246 PolarHBondContact O-N 2.69Å; V244-S247 WeakPolarHBondContact O-CB 3.43Å; V244-S247 PolarHBondContact O-N 2.95Å; V244-T248 PolarHBondContact O-N 3.23Å; V244-T248 PolarHBondContact O-OG1 3.29Å; V244-T248 VanDerWaalsContact O-OG1 3.08Å; V244-H373 VanDerWaalsContact CG1-NE2 3.26Å; V244-H373 WeakPolarHBondContact CG1-NE2 3.4Å; V244-H373 VanDerWaalsContact CG2-CE1 3.46Å; V244-H373 WeakPolarHBondContact CG2-CE1 3.26Å; V244-H373 WeakPolarHBondContact CG2-NE2 3.34Å
245	L	87.1	Confident	89.9	Confident	11 Å²	11	27.8 Å²	27.8	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-36.3	-178.3	-69.9	176.7	0	0	0	112.3	F97 V208 S236 D241 S247 T248 M249	F97-L245 HydrophobicContact CE1-CB 3.98Å; F97-L245 HydrophobicContact CE1-CD1 3.73Å; F97-L245 HydrophobicContact CZ-CB 4.19Å; F97-L245 HydrophobicContact CZ-CD1 4.28Å; V208-L245 HydrophobicContact CG1-CD2 4Å; S236-L245 WeakPolarHBondContact O-CD1 3.31Å; D241-L245 HydrophobicContact CB-CD1 4.31Å; D241-L245 WeakPolarHBondContact O-CB 3.5Å; D241-L245 WeakPolarHBondContact O-CG 3.44Å; D241-L245 PolarHBondContact O-N 2.96Å; L245-S247 VanDerWaalsContact C-N 3.33Å; L245-T248 PolarHBondContact O-N 2.87Å; L245-M249 WeakPolarHBondContact O-CG 3.34Å; L245-M249 PolarHBondContact O-N 3.29Å
246	F	91.6	Very high	90.2	Very high	50 Å²	50	27.6 Å²	27.6	22%	0.219	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-42	174.4	179.9	-119.1	0	0	0	111.6	N101 H104 A105 H242 E243 V244 M249 K250	N101-F246 HydrophobicContact CB-CD2 4.14Å; H104-F246 HydrophobicContact CB-CD2 4.48Å; H104-F246 HydrophobicContact CB-CE2 3.55Å; H104-F246 HydrophobicContact CB-CZ 4.09Å; A105-F246 HydrophobicContact CB-CD2 4.38Å; A105-F246 HydrophobicContact CB-CE2 3.92Å; H242-F246 WeakPolarHBondContact O-CB 3.31Å; H242-F246 PolarHBondContact O-N 3.21Å; E243-F246 PolarHBondContact O-N 3.28Å; V244-F246 PolarHBondContact O-N 2.69Å; F246-M249 PolarHBondContact O-N 3.19Å; F246-K250 HydrophobicContact CE1-CD 4.06Å; F246-K250 HydrophobicContact CZ-CD 4.18Å; F246-K250 HydrophobicContact CZ-CG 4.44Å; F246-K250 PolarHBondContact O-N 2.84Å; F246-K250 VanDerWaalsContact O-N 3.09Å
247	S	92.8	Very high	90.7	Very high	7 Å²	7	26.6 Å²	26.6	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-44.8	173.2	-169.5	0	0	0	0	111.8	E243 V244 L245 M249 K250 H251 P377 Y379	E243-S247 VanDerWaalsContact O-CB 3.31Å; E243-S247 WeakPolarHBondContact O-CB 3.48Å; E243-S247 PolarHBondContact O-N 3.39Å; V244-S247 WeakPolarHBondContact O-CB 3.43Å; V244-S247 PolarHBondContact O-N 2.95Å; L245-S247 VanDerWaalsContact C-N 3.33Å; S247-M249 VanDerWaalsContact C-N 3.3Å; S247-M249 PolarHBondContact O-N 2.92Å; S247-K250 WeakPolarHBondContact O-CB 3.3Å; S247-K250 PolarHBondContact O-N 3.31Å; S247-H251 WeakPolarHBondContact O-CB 3.34Å; S247-H251 PolarHBondContact O-N 2.85Å; S247-P377 WeakPolarHBondContact OG-CB 3.29Å; S247-P377 WeakPolarHBondContact OG-CG 3.48Å; S247-Y379 PolarHBondContact O-OH 3.07Å
248	T	92	Very high	91.2	Very high	12 Å²	12	25.7 Å²	25.7	7%	0.074	12%	0.123	C	C	.	.	H	α-helix	trans	-54.9	-45.8	173.8	-56.4	0	0	0	0	111.4	V208 A209 V244 L245 K250 H251 E252	V208-T248 HydrophobicContact CG1-CG2 4.06Å; A209-T248 HydrophobicContact CB-CG2 3.85Å; V244-T248 PolarHBondContact O-N 3.23Å; V244-T248 PolarHBondContact O-OG1 3.29Å; V244-T248 VanDerWaalsContact O-OG1 3.08Å; L245-T248 PolarHBondContact O-N 2.87Å; T248-K250 VanDerWaalsContact C-N 3.34Å; T248-K250 PolarHBondContact O-N 3.09Å; T248-H251 WeakPolarHBondContact O-CB 3.43Å; T248-H251 PolarHBondContact O-N 3.01Å; T248-H251 VanDerWaalsContact O-N 3.15Å; T248-E252 HydrophobicContact CG2-CG 4.27Å; T248-E252 WeakPolarHBondContact O-CG 3.5Å; T248-E252 PolarHBondContact O-N 3.15Å
249	M	94.5	Very high	91.7	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.025	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-40.2	177.3	-66.7	171.4	-162.8	0	0	112.4	F97 V98 N101 V102 A105 M228 I230 L245 F246 S247 I253	F97-M249 HydrophobicContact CE1-CE 4.23Å; V98-M249 HydrophobicContact CG2-CE 4.47Å; N101-M249 VanDerWaalsContact C-SD 3.56Å; N101-M249 HydrophobicContact CB-CE 3.91Å; N101-M249 HydrophobicContact CB-SD 3.45Å; N101-M249 WeakPolarHBondContact CB-SD 3.42Å; V102-M249 HydrophobicContact CB-SD 4.46Å; V102-M249 HydrophobicContact CG2-CE 4.48Å; V102-M249 HydrophobicContact CG2-CG 4.27Å; V102-M249 HydrophobicContact CG2-SD 3.66Å; V102-M249 PolarHBondContact N-SD 3.07Å; A105-M249 HydrophobicContact CB-CB 3.97Å; M228-M249 HydrophobicContact CE-CB 4.45Å; M228-M249 HydrophobicContact CE-CG 4.33Å; M228-M249 HydrophobicContact SD-CB 4.44Å; M228-M249 HydrophobicContact SD-CG 4.42Å; I230-M249 HydrophobicContact CD1-CE 4.03Å; I230-M249 HydrophobicContact CD1-CG 4.34Å; L245-M249 WeakPolarHBondContact O-CG 3.34Å; L245-M249 PolarHBondContact O-N 3.29Å; F246-M249 PolarHBondContact O-N 3.19Å; S247-M249 VanDerWaalsContact C-N 3.3Å; S247-M249 PolarHBondContact O-N 2.92Å; M249-I253 WeakPolarHBondContact O-CD1 3.37Å; M249-I253 WeakPolarHBondContact O-CG1 3.37Å; M249-I253 PolarHBondContact O-N 3.38Å; M249-I253 VanDerWaalsContact O-N 3.13Å
250	K	96.8	Very high	92.1	Very high	17 Å²	17	14.6 Å²	14.6	7%	0.074	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-42.6	173.5	-74.9	-173.4	-66.5	170	0	111.4	A105 F108 W109 F246 S247 T248 I253 L254 Y379	A105-K250 HydrophobicContact CB-CG 3.78Å; F108-K250 HydrophobicContact CB-CD 4.23Å; F108-K250 HydrophobicContact CD1-CD 3.59Å; F108-K250 HydrophobicContact CD1-CG 4.21Å; F108-K250 HydrophobicContact CD2-CD 4.33Å; F108-K250 HydrophobicContact CE1-CD 3.98Å; F108-K250 HydrophobicContact CG-CD 3.78Å; F108-K250 HydrophobicContact CZ-CD 4.5Å; W109-K250 HydrophobicContact CZ2-CB 4.41Å; W109-K250 PolarHBondContact NE1-O 3.37Å; F246-K250 HydrophobicContact CE1-CD 4.06Å; F246-K250 HydrophobicContact CZ-CD 4.18Å; F246-K250 HydrophobicContact CZ-CG 4.44Å; F246-K250 PolarHBondContact O-N 2.84Å; F246-K250 VanDerWaalsContact O-N 3.09Å; S247-K250 WeakPolarHBondContact O-CB 3.3Å; S247-K250 PolarHBondContact O-N 3.31Å; T248-K250 VanDerWaalsContact C-N 3.34Å; T248-K250 PolarHBondContact O-N 3.09Å; K250-I253 PolarHBondContact O-N 2.92Å; K250-L254 PolarHBondContact O-N 3.15Å; K250-Y379 HydrophobicContact CB-CE1 4.32Å; K250-Y379 HydrophobicContact CB-CE2 4.03Å; K250-Y379 WeakPolarHBondContact CB-OH 3.38Å; K250-Y379 HydrophobicContact CD-CD2 4.45Å; K250-Y379 HydrophobicContact CD-CE2 3.93Å; K250-Y379 VanDerWaalsContact NZ-CD2 3.3Å
251	H	95.4	Very high	92.5	Very high	6 Å²	6	14.1 Å²	14.1	3%	0.028	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-52.5	178.2	177.7	108.4	0	0	0	111.4	S247 T248 I253 L254 H255 H358 A368 M369 Y379	S247-H251 WeakPolarHBondContact O-CB 3.34Å; S247-H251 PolarHBondContact O-N 2.85Å; T248-H251 WeakPolarHBondContact O-CB 3.43Å; T248-H251 PolarHBondContact O-N 3.01Å; T248-H251 VanDerWaalsContact O-N 3.15Å; H251-I253 VanDerWaalsContact C-N 3.34Å; H251-I253 PolarHBondContact O-N 3.48Å; H251-L254 WeakPolarHBondContact O-CA 3.44Å; H251-L254 VanDerWaalsContact O-CB 3.3Å; H251-L254 WeakPolarHBondContact O-CB 3.11Å; H251-L254 PolarHBondContact O-N 3.32Å; H251-H255 AromaticContact CD2-CD2 3.58Å; H251-H255 AromaticContact CD2-NE2 3.54Å; H251-H255 AromaticContact CE1-NE2 3.91Å; H251-H255 AromaticContact NE2-CD2 3.58Å; H251-H255 AromaticContact NE2-CE1 3.99Å; H251-H255 AromaticContact NE2-NE2 3.01Å; H251-H255 PolarHBondContact NE2-NE2 2.96Å; H251-H255 PolarHBondContact O-N 3.45Å; H251-H358 AromaticContact CE1-CD2 3.55Å; H251-H358 AromaticContact CE1-NE2 3.48Å; H251-H358 PolarHBondContact CE1-NE2 3.13Å; H251-H358 AromaticContact NE2-CD2 3.76Å; H251-H358 AromaticContact NE2-NE2 3.2Å; H251-H358 PolarHBondContact NE2-NE2 2.76Å; H251-A368 PolarHBondContact ND1-O 3.07Å; H251-M369 HydrophobicContact CB-SD 4.38Å; H251-Y379 PolarHBondContact N-OH 3.38Å
252	E	95.5	Very high	92.7	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-61.7	-40.1	-179.7	-68.7	-41.3	146.4	0	0	112.6	A209 Y210 A211 M228 T248 L254 H255 A256	A209-E252 HydrophobicContact CB-CG 3.73Å; Y210-E252 VanDerWaalsContact CA-OE2 3.28Å; Y210-E252 WeakPolarHBondContact CA-OE2 3.47Å; A211-E252 HydrophobicContact CB-CB 3.62Å; A211-E252 HydrophobicContact CB-CG 4.3Å; A211-E252 WeakPolarHBondContact CB-O 3.35Å; A211-E252 WeakPolarHBondContact CB-OE2 3.48Å; A211-E252 PolarHBondContact N-OE2 3.49Å; M228-E252 HydrophobicContact CB-CB 4.49Å; M228-E252 HydrophobicContact CG-CB 3.82Å; M228-E252 HydrophobicContact CG-CG 4.11Å; M228-E252 HydrophobicContact SD-CB 3.38Å; M228-E252 WeakPolarHBondContact SD-CB 3.18Å; M228-E252 HydrophobicContact SD-CG 3.86Å; T248-E252 HydrophobicContact CG2-CG 4.27Å; T248-E252 WeakPolarHBondContact O-CG 3.5Å; T248-E252 PolarHBondContact O-N 3.15Å; E252-L254 PolarHBondContact O-N 2.89Å; E252-H255 PolarHBondContact O-N 2.94Å; E252-H255 IonicContact OE2-CD2 3.17Å; E252-A256 PolarHBondContact O-N 2.9Å
253	I	97.7	Very high	93.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59	-37.5	173.7	-69.8	167.2	0	0	0	110.6	I79 A105 W109 L192 M249 K250 H251 A256 L257	I79-I253 HydrophobicContact CD1-CG2 4.25Å; A105-I253 HydrophobicContact CB-CD1 3.72Å; W109-I253 HydrophobicContact CG-CG2 4.12Å; L192-I253 HydrophobicContact CD2-CD1 4.04Å; L192-I253 HydrophobicContact CD2-CG1 3.68Å; M249-I253 WeakPolarHBondContact O-CD1 3.37Å; M249-I253 WeakPolarHBondContact O-CG1 3.37Å; M249-I253 PolarHBondContact O-N 3.38Å; M249-I253 VanDerWaalsContact O-N 3.13Å; K250-I253 PolarHBondContact O-N 2.92Å; H251-I253 VanDerWaalsContact C-N 3.34Å; H251-I253 PolarHBondContact O-N 3.48Å; I253-A256 PolarHBondContact O-N 2.88Å; I253-L257 HydrophobicContact CG2-CD1 3.63Å; I253-L257 HydrophobicContact CG2-CG 4.02Å; I253-L257 WeakPolarHBondContact O-CB 3.44Å; I253-L257 VanDerWaalsContact O-CG 3.25Å; I253-L257 WeakPolarHBondContact O-CG 3.08Å; I253-L257 PolarHBondContact O-N 3.29Å
254	L	97.3	Very high	93.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-68.5	-37.8	-178.9	-153.8	66	0	0	0	113	W109 K250 H251 E252 A256 L257 G258 F259 M369 T383 M387	W109-L254 HydrophobicContact CD2-CD1 4.09Å; W109-L254 HydrophobicContact CE3-CD1 3.9Å; W109-L254 HydrophobicContact CH2-CD1 3.42Å; W109-L254 VanDerWaalsContact CH2-CD1 3.42Å; W109-L254 HydrophobicContact CH2-CD2 3.78Å; W109-L254 HydrophobicContact CH2-CG 4.1Å; W109-L254 HydrophobicContact CZ2-CB 4.01Å; W109-L254 HydrophobicContact CZ2-CD1 3.58Å; W109-L254 HydrophobicContact CZ2-CD2 4.05Å; W109-L254 HydrophobicContact CZ2-CG 4.09Å; W109-L254 HydrophobicContact CZ3-CD1 3.58Å; K250-L254 PolarHBondContact O-N 3.15Å; H251-L254 WeakPolarHBondContact O-CA 3.44Å; H251-L254 VanDerWaalsContact O-CB 3.3Å; H251-L254 WeakPolarHBondContact O-CB 3.11Å; H251-L254 PolarHBondContact O-N 3.32Å; E252-L254 PolarHBondContact O-N 2.89Å; L254-A256 VanDerWaalsContact C-N 3.28Å; L254-A256 PolarHBondContact O-N 3.12Å; L254-L257 PolarHBondContact O-N 3.18Å; L254-G258 PolarHBondContact O-N 2.69Å; L254-F259 HydrophobicContact CD2-CB 4.11Å; L254-F259 HydrophobicContact CD2-CD2 3.96Å; L254-F259 HydrophobicContact CG-CB 3.99Å; L254-F259 PolarHBondContact O-N 3.03Å; L254-M369 HydrophobicContact CB-CE 4.39Å; L254-M369 HydrophobicContact CB-SD 3.97Å; L254-M369 HydrophobicContact CD2-CE 4.29Å; L254-M369 HydrophobicContact CD2-CG 3.69Å; L254-M369 HydrophobicContact CD2-SD 3.54Å; L254-M369 VanDerWaalsContact CD2-SD 3.54Å; L254-M369 HydrophobicContact CG-SD 4.33Å; L254-T383 HydrophobicContact CD2-CG2 3.29Å; L254-M387 HydrophobicContact CD1-CE 3.8Å; L254-M387 HydrophobicContact CD1-CG 3.61Å; L254-M387 HydrophobicContact CD1-SD 3.51Å; L254-M387 VanDerWaalsContact CD1-SD 3.51Å; L254-M387 HydrophobicContact CD2-CG 4.3Å; L254-M387 HydrophobicContact CD2-SD 4.27Å; L254-M387 HydrophobicContact CG-CE 4.49Å; L254-M387 HydrophobicContact CG-CG 4.22Å; L254-M387 HydrophobicContact CG-SD 3.76Å
255	H	94.9	Very high	94	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-57.2	-43.5	170.5	-77.4	-44.9	0	0	0	111.9	Y27 H251 E252 L257 F259 G357 H358	Y27-H255 HydrophobicContact CD2-CB 4.29Å; Y27-H255 AromaticContact CD2-ND1 3.98Å; H251-H255 AromaticContact CD2-CD2 3.58Å; H251-H255 AromaticContact CD2-NE2 3.54Å; H251-H255 AromaticContact CE1-NE2 3.91Å; H251-H255 AromaticContact NE2-CD2 3.58Å; H251-H255 AromaticContact NE2-CE1 3.99Å; H251-H255 AromaticContact NE2-NE2 3.01Å; H251-H255 PolarHBondContact NE2-NE2 2.96Å; H251-H255 PolarHBondContact O-N 3.45Å; E252-H255 PolarHBondContact O-N 2.94Å; E252-H255 IonicContact OE2-CD2 3.17Å; H255-L257 VanDerWaalsContact C-N 3.34Å; H255-F259 WeakPolarHBondContact CA-O 3.21Å; H255-F259 PolarHBondContact ND1-O 2.96Å; H255-G357 PolarHBondContact CE1-O 3.38Å; H255-H358 AromaticContact CE1-CD2 3.72Å; H255-H358 AromaticContact CE1-CE1 3.85Å; H255-H358 AromaticContact CE1-NE2 3.25Å; H255-H358 PolarHBondContact CE1-NE2 2.93Å; H255-H358 AromaticContact NE2-CD2 3.78Å; H255-H358 AromaticContact NE2-CE1 3.68Å; H255-H358 AromaticContact NE2-NE2 2.96Å; H255-H358 PolarHBondContact NE2-NE2 3.08Å
256	A	96	Very high	94.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-71.1	-28.6	178.4	0	0	0	0	0	113.2	F190 L192 P223 E252 I253 L254	F190-A256 HydrophobicContact CE1-CB 4.45Å; F190-A256 WeakPolarHBondContact CE2-O 3.44Å; F190-A256 HydrophobicContact CZ-CB 3.79Å; L192-A256 HydrophobicContact CD1-CB 4.46Å; P223-A256 WeakPolarHBondContact CB-O 3.44Å; E252-A256 PolarHBondContact O-N 2.9Å; I253-A256 PolarHBondContact O-N 2.88Å; L254-A256 VanDerWaalsContact C-N 3.28Å; L254-A256 PolarHBondContact O-N 3.12Å
257	L	97.7	Very high	94.6	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-83.9	-31	-178.8	-73.8	176.4	0	0	0	114.5	L77 I79 W109 L113 F190 I253 L254 H255 M387 Y393	L77-L257 HydrophobicContact CD2-CD1 4.27Å; L77-L257 HydrophobicContact CD2-CD2 4.16Å; I79-L257 HydrophobicContact CD1-CD1 4.11Å; I79-L257 HydrophobicContact CD1-CD2 4.5Å; W109-L257 HydrophobicContact CB-CD1 4.3Å; W109-L257 HydrophobicContact CG-CD1 4.34Å; L113-L257 HydrophobicContact CD1-CD1 4.1Å; F190-L257 HydrophobicContact CB-CD2 4.24Å; F190-L257 HydrophobicContact CD1-CD2 3.98Å; F190-L257 HydrophobicContact CD2-CD2 3.72Å; F190-L257 HydrophobicContact CE1-CD2 4.23Å; F190-L257 HydrophobicContact CE2-CD2 3.99Å; F190-L257 HydrophobicContact CG-CD2 3.71Å; F190-L257 HydrophobicContact CZ-CD2 4.22Å; I253-L257 HydrophobicContact CG2-CD1 3.63Å; I253-L257 HydrophobicContact CG2-CG 4.02Å; I253-L257 WeakPolarHBondContact O-CB 3.44Å; I253-L257 VanDerWaalsContact O-CG 3.25Å; I253-L257 WeakPolarHBondContact O-CG 3.08Å; I253-L257 PolarHBondContact O-N 3.29Å; L254-L257 PolarHBondContact O-N 3.18Å; H255-L257 VanDerWaalsContact C-N 3.34Å; L257-M387 HydrophobicContact CB-CE 3.77Å; L257-Y393 WeakPolarHBondContact O-CE2 3.35Å; L257-Y393 PolarHBondContact O-OH 2.73Å
258	G	95.4	Very high	94.8	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	170.8	-25	-176.8	0	0	0	0	0	118.3	L254 S260	L254-G258 PolarHBondContact O-N 2.69Å; G258-S260 VanDerWaalsContact C-N 3.3Å; G258-S260 PolarHBondContact O-N 3.31Å
259	F	95.7	Very high	94.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.021	C	C	.	.			trans	-81.4	80.5	-179.5	-160.8	-37.5	0	0	0	109.6	L254 H255 F264 G357 W359 M369 T383 L386 M387	L254-F259 HydrophobicContact CD2-CB 4.11Å; L254-F259 HydrophobicContact CD2-CD2 3.96Å; L254-F259 HydrophobicContact CG-CB 3.99Å; L254-F259 PolarHBondContact O-N 3.03Å; H255-F259 WeakPolarHBondContact CA-O 3.21Å; H255-F259 PolarHBondContact ND1-O 2.96Å; F259-F264 HydrophobicContact CD1-CE1 4.27Å; F259-F264 HydrophobicContact CD1-CZ 4.17Å; F259-F264 HydrophobicContact CE1-CZ 4.22Å; F259-G357 WeakPolarHBondContact CD1-O 3.15Å; F259-G357 VanDerWaalsContact CE1-O 3.27Å; F259-G357 WeakPolarHBondContact CE1-O 3.42Å; F259-W359 AromaticContact CE2-CD1 4Å; F259-W359 HydrophobicContact CE2-CD2 4.04Å; F259-W359 AromaticContact CE2-CE2 3.35Å; F259-W359 HydrophobicContact CE2-CG 4.38Å; F259-W359 HydrophobicContact CE2-CH2 4.34Å; F259-W359 AromaticContact CE2-CZ2 3.55Å; F259-W359 HydrophobicContact CE2-CZ2 3.55Å; F259-W359 AromaticContact CE2-NE1 3.36Å; F259-W359 AromaticContact CZ-CD1 3.98Å; F259-W359 AromaticContact CZ-CD2 3.52Å; F259-W359 HydrophobicContact CZ-CD2 3.52Å; F259-W359 AromaticContact CZ-CE2 3.34Å; F259-W359 AromaticContact CZ-CE3 3.97Å; F259-W359 HydrophobicContact CZ-CE3 3.97Å; F259-W359 AromaticContact CZ-CG 3.93Å; F259-W359 HydrophobicContact CZ-CG 3.93Å; F259-W359 HydrophobicContact CZ-CH2 4.07Å; F259-W359 AromaticContact CZ-CZ2 3.65Å; F259-W359 HydrophobicContact CZ-CZ2 3.65Å; F259-W359 HydrophobicContact CZ-CZ3 4.2Å; F259-W359 AromaticContact CZ-NE1 3.66Å; F259-M369 HydrophobicContact CB-CE 4.11Å; F259-M369 HydrophobicContact CD1-CE 4.27Å; F259-M369 HydrophobicContact CD2-CB 4.08Å; F259-M369 HydrophobicContact CD2-CE 3.97Å; F259-M369 HydrophobicContact CD2-CG 3.79Å; F259-M369 HydrophobicContact CE2-CB 3.57Å; F259-M369 HydrophobicContact CE2-CE 4.43Å; F259-M369 HydrophobicContact CE2-CG 3.77Å; F259-M369 HydrophobicContact CG-CE 3.87Å; F259-M369 HydrophobicContact CZ-CB 4.01Å; F259-T383 HydrophobicContact CD2-CG2 4.44Å; F259-L386 HydrophobicContact CB-CD2 3.85Å; F259-L386 HydrophobicContact CD1-CD1 4.02Å; F259-L386 HydrophobicContact CD1-CD2 4.42Å; F259-L386 HydrophobicContact CD2-CD1 3.84Å; F259-L386 HydrophobicContact CD2-CD2 3.75Å; F259-L386 HydrophobicContact CD2-CG 4.28Å; F259-L386 HydrophobicContact CE1-CD1 3.88Å; F259-L386 HydrophobicContact CE2-CD1 3.72Å; F259-L386 HydrophobicContact CE2-CD2 4.43Å; F259-L386 HydrophobicContact CE2-CG 4.49Å; F259-L386 HydrophobicContact CG-CD1 4.01Å; F259-L386 HydrophobicContact CG-CD2 3.75Å; F259-L386 HydrophobicContact CZ-CD1 3.74Å; F259-M387 HydrophobicContact CB-SD 4.21Å
260	S	91.5	Very high	94.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-157.4	136.6	-174.9	148.7	0	0	0	0	109.6	Y27 G258 A262 L263 F264	Y27-S260 VanDerWaalsContact CE2-OG 3.28Å; Y27-S260 WeakPolarHBondContact CE2-OG 3.3Å; Y27-S260 PolarHBondContact OH-OG 3.1Å; G258-S260 VanDerWaalsContact C-N 3.3Å; G258-S260 PolarHBondContact O-N 3.31Å; S260-A262 PolarHBondContact O-N 3.16Å; S260-A262 PolarHBondContact OG-N 3.23Å; S260-L263 WeakPolarHBondContact O-CA 3.28Å; S260-L263 PolarHBondContact O-N 2.92Å; S260-F264 WeakPolarHBondContact O-CD1 3.5Å; S260-F264 VanDerWaalsContact O-CE1 3.31Å; S260-F264 WeakPolarHBondContact O-CE1 3.06Å; S260-F264 PolarHBondContact O-N 3.39Å; S260-F264 VanDerWaalsContact O-N 3.16Å
261	A	89.7	Confident	94.2	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.017	8%	0.075	C	C	.	.	H	α-helix	trans	-53.1	-38.6	176.4	0	0	0	0	0	112.5	L263 F264 F293	A261-L263 PolarHBondContact O-N 3.47Å; A261-F264 PolarHBondContact O-N 2.04Å; A261-F293 HydrophobicContact CB-CD1 4.35Å; A261-F293 HydrophobicContact CB-CE1 3.85Å; A261-F293 HydrophobicContact CB-CE2 4.39Å; A261-F293 HydrophobicContact CB-CZ 3.91Å
262	A	88.5	Confident	93.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.1	-16.9	176.8	0	0	0	0	0	114.2	Y27 S260 Y266 F293	Y27-A262 WeakPolarHBondContact OH-CB 3.47Å; S260-A262 PolarHBondContact O-N 3.16Å; S260-A262 PolarHBondContact OG-N 3.23Å; A262-Y266 WeakPolarHBondContact O-CD2 3.38Å; A262-Y266 WeakPolarHBondContact O-CE2 3.48Å; A262-F293 HydrophobicContact CB-CB 4.01Å
263	L	93.9	Very high	93.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-103.5	-18.2	-178.9	-70.5	177.6	0	0	0	114	H213 M216 P223 S260 A261 A265 Y266 F267 W392	H213-L263 HydrophobicContact CB-CD1 4.29Å; H213-L263 WeakPolarHBondContact CE1-CD2 3.16Å; H213-L263 WeakPolarHBondContact ND1-CG 3.11Å; M216-L263 HydrophobicContact CE-CD2 4.44Å; M216-L263 HydrophobicContact SD-CD2 3.53Å; M216-L263 VanDerWaalsContact SD-CD2 3.53Å; P223-L263 HydrophobicContact CG-CD1 3.6Å; P223-L263 HydrophobicContact CG-CD2 3.91Å; P223-L263 HydrophobicContact CG-CG 4.44Å; S260-L263 WeakPolarHBondContact O-CA 3.28Å; S260-L263 PolarHBondContact O-N 2.92Å; A261-L263 PolarHBondContact O-N 3.47Å; L263-A265 VanDerWaalsContact C-N 3.28Å; L263-A265 PolarHBondContact O-N 2.85Å; L263-Y266 HydrophobicContact CD2-CD2 4.48Å; L263-Y266 WeakPolarHBondContact O-CA 3.34Å; L263-Y266 WeakPolarHBondContact O-CB 3.34Å; L263-Y266 PolarHBondContact O-N 3.31Å; L263-F267 WeakPolarHBondContact O-CD1 3.44Å; L263-W392 HydrophobicContact CB-CH2 4.17Å; L263-W392 HydrophobicContact CD1-CZ3 4.44Å; L263-W392 HydrophobicContact CD2-CH2 4.1Å
264	F	94.9	Very high	93.6	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.013	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-39.1	-177.5	-64.8	-13.9	0	0	0	112.9	F259 S260 A261 Y266 F267 P296 V300 V301 L346 Y356 L386	F259-F264 HydrophobicContact CD1-CE1 4.27Å; F259-F264 HydrophobicContact CD1-CZ 4.17Å; F259-F264 HydrophobicContact CE1-CZ 4.22Å; S260-F264 WeakPolarHBondContact O-CD1 3.5Å; S260-F264 VanDerWaalsContact O-CE1 3.31Å; S260-F264 WeakPolarHBondContact O-CE1 3.06Å; S260-F264 PolarHBondContact O-N 3.39Å; S260-F264 VanDerWaalsContact O-N 3.16Å; A261-F264 PolarHBondContact O-N 2.04Å; F264-Y266 PolarHBondContact O-N 2.55Å; F264-Y266 VanDerWaalsContact O-N 3.09Å; F264-F267 AromaticContact CD1-CE1 3.94Å; F264-F267 HydrophobicContact CD1-CE1 3.94Å; F264-F267 HydrophobicContact CD1-CE2 4.1Å; F264-F267 AromaticContact CD1-CZ 3.51Å; F264-F267 HydrophobicContact CD1-CZ 3.51Å; F264-F267 HydrophobicContact CE1-CZ 4.06Å; F264-F267 HydrophobicContact CG-CZ 4.5Å; F264-F267 WeakPolarHBondContact O-CB 3.38Å; F264-F267 WeakPolarHBondContact O-CG 3.27Å; F264-F267 PolarHBondContact O-N 2.97Å; F264-P296 HydrophobicContact CB-CB 4.11Å; F264-P296 HydrophobicContact CB-CG 4.15Å; F264-V300 HydrophobicContact CB-CG1 4.15Å; F264-V301 HydrophobicContact CD2-CG2 3.82Å; F264-V301 HydrophobicContact CE2-CG2 4.48Å; F264-L346 HydrophobicContact CE2-CD1 3.92Å; F264-L346 HydrophobicContact CE2-CD2 4.38Å; F264-L346 HydrophobicContact CZ-CD2 4.45Å; F264-Y356 WeakPolarHBondContact CE2-O 3.45Å; F264-Y356 WeakPolarHBondContact CZ-O 3.12Å; F264-L386 HydrophobicContact CE1-CD1 4.3Å
265	A	94.5	Very high	93.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.8	176.1	0	0	0	0	0	113	L263 T276 R278 P284 F294	L263-A265 VanDerWaalsContact C-N 3.28Å; L263-A265 PolarHBondContact O-N 2.85Å; A265-T276 VanDerWaalsContact O-CB 3.3Å; A265-T276 WeakPolarHBondContact O-CB 3.48Å; A265-T276 PolarHBondContact O-OG1 3.12Å; A265-R278 VanDerWaalsContact O-CZ 3.25Å; A265-R278 PolarHBondContact O-NH1 2.99Å; A265-R278 PolarHBondContact O-NH2 2.74Å; A265-P284 HydrophobicContact CB-CB 4Å; A265-P284 HydrophobicContact CB-CG 3.7Å; A265-F294 HydrophobicContact CB-CB 3.77Å; A265-F294 VanDerWaalsContact CB-O 3.27Å; A265-F294 WeakPolarHBondContact CB-O 3.26Å
266	Y	95.3	Very high	93.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.9	-178.1	-64.2	-83.8	0	0	0	114.7	T55 M216 N221 A262 L263 F264 R278 P284 F294	T55-Y266 HydrophobicContact CG2-CE1 4.13Å; T55-Y266 WeakPolarHBondContact CG2-OH 3.2Å; M216-Y266 HydrophobicContact CE-CD1 4.35Å; M216-Y266 HydrophobicContact CE-CD2 4.31Å; M216-Y266 HydrophobicContact CE-CE1 4.09Å; M216-Y266 HydrophobicContact CE-CE2 4.07Å; M216-Y266 HydrophobicContact CE-CG 4.43Å; M216-Y266 HydrophobicContact SD-CG 4.39Å; N221-Y266 HydrophobicContact CB-CD1 3.65Å; N221-Y266 HydrophobicContact CB-CE1 4.47Å; N221-Y266 HydrophobicContact CB-CG 4.32Å; A262-Y266 WeakPolarHBondContact O-CD2 3.38Å; A262-Y266 WeakPolarHBondContact O-CE2 3.48Å; L263-Y266 HydrophobicContact CD2-CD2 4.48Å; L263-Y266 WeakPolarHBondContact O-CA 3.34Å; L263-Y266 WeakPolarHBondContact O-CB 3.34Å; L263-Y266 PolarHBondContact O-N 3.31Å; F264-Y266 PolarHBondContact O-N 2.55Å; F264-Y266 VanDerWaalsContact O-N 3.09Å; Y266-R278 PolarHBondContact O-NH2 3.24Å; Y266-P284 HydrophobicContact CD1-CG 4.2Å; Y266-P284 HydrophobicContact CE1-CG 3.78Å; Y266-P284 HydrophobicContact CE2-CG 4.13Å; Y266-F294 HydrophobicContact CE2-CD2 4.19Å; Y266-F294 AromaticContact CZ-CD2 3.96Å; Y266-F294 WeakPolarHBondContact OH-CD2 3.31Å; Y266-F294 WeakPolarHBondContact OH-CE2 3.29Å
267	F	97.2	Very high	93.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.155	C	C	.	.			trans	-61.1	152.3	-177.6	-73.3	12.9	0	0	0	113.5	L263 F264 L275 V300 M323 T325 L386 T390 W392	L263-F267 WeakPolarHBondContact O-CD1 3.44Å; F264-F267 AromaticContact CD1-CE1 3.94Å; F264-F267 HydrophobicContact CD1-CE1 3.94Å; F264-F267 HydrophobicContact CD1-CE2 4.1Å; F264-F267 AromaticContact CD1-CZ 3.51Å; F264-F267 HydrophobicContact CD1-CZ 3.51Å; F264-F267 HydrophobicContact CE1-CZ 4.06Å; F264-F267 HydrophobicContact CG-CZ 4.5Å; F264-F267 WeakPolarHBondContact O-CB 3.38Å; F264-F267 WeakPolarHBondContact O-CG 3.27Å; F264-F267 PolarHBondContact O-N 2.97Å; F267-L275 HydrophobicContact CB-CD1 4.1Å; F267-L275 PolarHBondContact O-N 3.36Å; F267-V300 HydrophobicContact CB-CG2 4.36Å; F267-V300 HydrophobicContact CD2-CG1 3.87Å; F267-V300 HydrophobicContact CE2-CG1 4.46Å; F267-V300 HydrophobicContact CG-CG1 4.38Å; F267-M323 HydrophobicContact CE2-CE 4.42Å; F267-M323 HydrophobicContact CE2-SD 4.03Å; F267-T325 HydrophobicContact CD2-CG2 4.26Å; F267-L386 HydrophobicContact CE2-CG 4.4Å; F267-L386 HydrophobicContact CZ-CD2 4.11Å; F267-L386 HydrophobicContact CZ-CG 4.38Å; F267-T390 WeakPolarHBondContact CA-O 3.38Å; F267-T390 HydrophobicContact CD1-CG2 4.25Å; F267-T390 HydrophobicContact CE1-CG2 3.69Å; F267-T390 HydrophobicContact CZ-CG2 3.83Å; F267-W392 HydrophobicContact CD1-CH2 4.46Å
268	R	95.4	Very high	93.2	Very high	27 Å²	27	29.3 Å²	29.3	10%	0.102	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-131.3	151	-175.7	-66.9	176	177.7	-93.2	-0.4	111.6	F220 N221 G272 N273 T390 G391	F220-R268 VanDerWaalsContact C-NE 3.35Å; F220-R268 PolarHBondContact O-NE 3.07Å; N221-R268 PolarHBondContact OD1-NH2 3.24Å; R268-G272 WeakPolarHBondContact CD-O 3.47Å; R268-G272 PolarHBondContact NH1-O 3.26Å; R268-N273 CarbonylContact C-O 3.51Å; R268-N273 WeakPolarHBondContact CA-O 3.33Å; R268-N273 WeakPolarHBondContact CB-O 3.03Å; R268-T390 PolarHBondContact N-O 3.07Å; R268-G391 WeakPolarHBondContact O-CA 3.15Å
269	D	94	Very high	92.7	Very high	35 Å²	35	32.2 Å²	32.2	19%	0.187	18%	0.178	C	C	.	.			trans	-70.6	174.3	171.6	72.9	16.3	0	0	0	111.9	N271 G272 N273 L275	D269-N271 PolarHBondContact O-N 3.11Å; D269-N271 VanDerWaalsContact O-N 3.13Å; D269-N271 VanDerWaalsContact OD1-CA 3.31Å; D269-N271 WeakPolarHBondContact OD1-CA 3.28Å; D269-N271 WeakPolarHBondContact OD1-CB 3.49Å; D269-N271 PolarHBondContact OD1-N 3.25Å; D269-G272 WeakPolarHBondContact O-CA 3.07Å; D269-G272 PolarHBondContact O-N 3.06Å; D269-G272 PolarHBondContact OD1-N 3.12Å; D269-N273 PolarHBondContact N-O 3.02Å; D269-N273 PolarHBondContact OD1-N 3.21Å; D269-N273 PolarHBondContact OD1-ND2 2.81Å; D269-N273 WeakPolarHBondContact OD2-CB 3.49Å; D269-N273 PolarHBondContact OD2-ND2 2.97Å; D269-L275 HydrophobicContact CB-CD2 3.88Å
270	S	89	Confident	92	Very high	78 Å²	78	40.8 Å²	40.8	55%	0.545	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.1	179.1	55.8	0	0	0	0	114.3	G272	S270-G272 VanDerWaalsContact C-N 3.35Å
271	N	88.5	Confident	91.1	Very high	127 Å²	127	44.2 Å²	44.2	68%	0.679	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-8.4	175.1	-63.1	-50.7	0	0	0	112.4	D269	D269-N271 PolarHBondContact O-N 3.11Å; D269-N271 VanDerWaalsContact O-N 3.13Å; D269-N271 VanDerWaalsContact OD1-CA 3.31Å; D269-N271 WeakPolarHBondContact OD1-CA 3.28Å; D269-N271 WeakPolarHBondContact OD1-CB 3.49Å; D269-N271 PolarHBondContact OD1-N 3.25Å
272	G	88.6	Confident	90.6	Very high	10 Å²	10	45.4 Å²	45.4	10%	0.103	26%	0.26	C	S	.	.	S	Bend	trans	89.2	9.3	-177.5	0	0	0	0	0	114.1	R268 D269 S270	R268-G272 WeakPolarHBondContact CD-O 3.47Å; R268-G272 PolarHBondContact NH1-O 3.26Å; D269-G272 WeakPolarHBondContact O-CA 3.07Å; D269-G272 PolarHBondContact O-N 3.06Å; D269-G272 PolarHBondContact OD1-N 3.12Å; S270-G272 VanDerWaalsContact C-N 3.35Å
273	N	93.4	Very high	90.4	Very high	85 Å²	85	45.9 Å²	45.9	46%	0.455	26%	0.262	S	S	.	.			trans	-79.9	141.5	176.6	-50.6	-57.9	0	0	0	110.4	R268 D269 L275	R268-N273 CarbonylContact C-O 3.51Å; R268-N273 WeakPolarHBondContact CA-O 3.33Å; R268-N273 WeakPolarHBondContact CB-O 3.03Å; D269-N273 PolarHBondContact N-O 3.02Å; D269-N273 PolarHBondContact OD1-N 3.21Å; D269-N273 PolarHBondContact OD1-ND2 2.81Å; D269-N273 WeakPolarHBondContact OD2-CB 3.49Å; D269-N273 PolarHBondContact OD2-ND2 2.97Å; N273-L275 PolarHBondContact O-N 3.41Å
274	P	95.3	Very high	90.3	Very high	43 Å²	43	45.9 Å²	45.9	28%	0.279	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-56	133.4	173.2	-24.3	34.8	0	0	0	112.6	T276 R278	P274-T276 VanDerWaalsContact C-N 3.34Å; P274-T276 VanDerWaalsContact CB-O 3.26Å; P274-T276 WeakPolarHBondContact CB-O 3.43Å; P274-R278 HydrophobicContact CB-CG 3.89Å; P274-R278 HydrophobicContact CG-CG 3.76Å
275	L	96.7	Very high	90.1	Very high	21 Å²	21	49.8 Å²	49.8	11%	0.11	29%	0.286	C	S	.	.	S	Bend	trans	-78.8	-23.8	170.9	-67.9	175.4	0	0	0	112.2	F267 D269 N273 S297 R299 V300	F267-L275 HydrophobicContact CB-CD1 4.1Å; F267-L275 PolarHBondContact O-N 3.36Å; D269-L275 HydrophobicContact CB-CD2 3.88Å; N273-L275 PolarHBondContact O-N 3.41Å; L275-S297 PolarHBondContact O-OG 2.69Å; L275-R299 VanDerWaalsContact CD2-CZ 3.5Å; L275-R299 VanDerWaalsContact CD2-NH2 3.29Å; L275-V300 HydrophobicContact CB-CG2 3.45Å; L275-V300 VanDerWaalsContact CB-CG2 3.45Å; L275-V300 HydrophobicContact CD1-CG2 3.72Å; L275-V300 HydrophobicContact CG-CG2 4.22Å
276	T	96.4	Very high	89.8	Confident	11 Å²	11	56.8 Å²	56.8	7%	0.067	31%	0.314	C	S	.	.	S	Bend	trans	-108.7	140.4	175.8	-54.5	0	0	0	0	109.6	A265 P274 R278 P284 S297	A265-T276 VanDerWaalsContact O-CB 3.3Å; A265-T276 WeakPolarHBondContact O-CB 3.48Å; A265-T276 PolarHBondContact O-OG1 3.12Å; P274-T276 VanDerWaalsContact C-N 3.34Å; P274-T276 VanDerWaalsContact CB-O 3.26Å; P274-T276 WeakPolarHBondContact CB-O 3.43Å; T276-R278 PolarHBondContact O-NH1 2.93Å; T276-P284 HydrophobicContact CG2-CB 4.18Å; T276-S297 PolarHBondContact OG1-N 3.34Å
277	L	94.9	Very high	89.4	Confident	132 Å²	132	59.4 Å²	59.4	69%	0.691	33%	0.325	S	S	*	.			trans	-56.4	142.3	-179.7	-173.7	65.6	0	0	0	111	P284 V285	L277-P284 WeakPolarHBondContact O-CA 3.48Å; L277-V285 HydrophobicContact CB-CG2 4.19Å; L277-V285 HydrophobicContact CD2-CG2 3.93Å; L277-V285 HydrophobicContact CG-CG2 3.81Å; L277-V285 PolarHBondContact O-N 2.88Å
278	R	89.1	Confident	88.7	Confident	41 Å²	41	60.3 Å²	60.3	16%	0.155	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-112.1	145.1	178.3	-59.5	-61.4	-176.7	-120.5	-8	111.5	A265 Y266 P274 T276 G282 N283 P284	A265-R278 VanDerWaalsContact O-CZ 3.25Å; A265-R278 PolarHBondContact O-NH1 2.99Å; A265-R278 PolarHBondContact O-NH2 2.74Å; Y266-R278 PolarHBondContact O-NH2 3.24Å; P274-R278 HydrophobicContact CB-CG 3.89Å; P274-R278 HydrophobicContact CG-CG 3.76Å; T276-R278 PolarHBondContact O-NH1 2.93Å; R278-G282 WeakPolarHBondContact CD-O 3.05Å; R278-N283 CarbonylContact C-O 3.45Å; R278-N283 WeakPolarHBondContact CA-O 3.5Å; R278-P284 VanDerWaalsContact NH1-CG 3.32Å
279	D	85	Confident	88	Confident	62 Å²	62	63.9 Å²	63.9	33%	0.332	36%	0.357	S	S	.	.			trans	-77.6	177.4	166.2	70.2	10.9	0	0	0	111.5	S281 G282 N283 V285	D279-S281 PolarHBondContact O-N 3.34Å; D279-S281 VanDerWaalsContact O-N 3.14Å; D279-S281 VanDerWaalsContact OD1-C 3.25Å; D279-S281 VanDerWaalsContact OD1-CA 3.26Å; D279-S281 WeakPolarHBondContact OD1-CA 2.76Å; D279-S281 VanDerWaalsContact OD1-CB 3.31Å; D279-S281 WeakPolarHBondContact OD1-CB 2.98Å; D279-S281 PolarHBondContact OD1-N 2.93Å; D279-G282 PolarHBondContact O-N 3.14Å; D279-G282 PolarHBondContact OD1-N 3.37Å; D279-N283 PolarHBondContact N-O 3.07Å; D279-N283 PolarHBondContact OD1-N 3.32Å; D279-V285 HydrophobicContact CB-CG2 4.44Å
280	D	80.2	Confident	87.3	Confident	180 Å²	180	67.4 Å²	67.4	96%	0.963	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.9	178.1	-64.9	-26.9	0	0	0	113.3
281	S	73	Confident	86.6	Confident	72 Å²	72	65.7 Å²	65.7	50%	0.503	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.9	176.8	-61.4	0	0	0	0	113	D279	D279-S281 PolarHBondContact O-N 3.34Å; D279-S281 VanDerWaalsContact O-N 3.14Å; D279-S281 VanDerWaalsContact OD1-C 3.25Å; D279-S281 VanDerWaalsContact OD1-CA 3.26Å; D279-S281 WeakPolarHBondContact OD1-CA 2.76Å; D279-S281 VanDerWaalsContact OD1-CB 3.31Å; D279-S281 WeakPolarHBondContact OD1-CB 2.98Å; D279-S281 PolarHBondContact OD1-N 2.93Å
282	G	79.4	Confident	86.1	Confident	26 Å²	26	61 Å²	61	27%	0.268	34%	0.344	S	S	.	.	S	Bend	trans	79.6	12.8	-178.9	0	0	0	0	0	114.7	R278 D279	R278-G282 WeakPolarHBondContact CD-O 3.05Å; D279-G282 PolarHBondContact O-N 3.14Å; D279-G282 PolarHBondContact OD1-N 3.37Å
283	N	84.1	Confident	85.9	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.053	34%	0.341	C	S	.	.	S	Bend	trans	-94.5	156.4	175.8	-54.5	-60.9	0	0	0	110.9	T55 R134 R278 D279 F294	T55-N283 PolarHBondContact OG1-OD1 2.86Å; T55-N283 VanDerWaalsContact OG1-OD1 3.12Å; R134-N283 PolarHBondContact NH1-ND2 3.24Å; R134-N283 PolarHBondContact NH1-OD1 3.3Å; R278-N283 CarbonylContact C-O 3.45Å; R278-N283 WeakPolarHBondContact CA-O 3.5Å; D279-N283 PolarHBondContact N-O 3.07Å; D279-N283 PolarHBondContact OD1-N 3.32Å; N283-F294 HydrophobicContact CB-CZ 4.27Å
284	P	90.5	Very high	85.6	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-56.6	145.3	167.5	-11.3	20.4	0	0	0	111.8	A265 Y266 T276 L277 R278 F294	A265-P284 HydrophobicContact CB-CB 4Å; A265-P284 HydrophobicContact CB-CG 3.7Å; Y266-P284 HydrophobicContact CD1-CG 4.2Å; Y266-P284 HydrophobicContact CE1-CG 3.78Å; Y266-P284 HydrophobicContact CE2-CG 4.13Å; T276-P284 HydrophobicContact CG2-CB 4.18Å; L277-P284 WeakPolarHBondContact O-CA 3.48Å; R278-P284 VanDerWaalsContact NH1-CG 3.32Å; P284-F294 HydrophobicContact CB-CB 3.7Å; P284-F294 HydrophobicContact CB-CD1 3.75Å; P284-F294 HydrophobicContact CB-CG 3.85Å; P284-F294 HydrophobicContact CG-CB 3.59Å; P284-F294 HydrophobicContact CG-CD1 4.01Å; P284-F294 HydrophobicContact CG-CD2 4.21Å; P284-F294 HydrophobicContact CG-CG 3.67Å; P284-F294 WeakPolarHBondContact O-CD1 3.18Å; P284-F294 WeakPolarHBondContact O-CE1 3.29Å
285	V	90.6	Very high	85.4	Confident	85 Å²	85	57.6 Å²	57.6	52%	0.515	32%	0.32	S	S	.	.	S	Bend	trans	-75.2	-37.3	-171.3	177.7	0	0	0	0	113.6	L277 D279	L277-V285 HydrophobicContact CB-CG2 4.19Å; L277-V285 HydrophobicContact CD2-CG2 3.93Å; L277-V285 HydrophobicContact CG-CG2 3.81Å; L277-V285 PolarHBondContact O-N 2.88Å; D279-V285 HydrophobicContact CB-CG2 4.44Å
286	Y	89.5	Confident	85.2	Confident	147 Å²	147	57.7 Å²	57.7	58%	0.576	32%	0.322	S	S	*	.			trans	-104.6	118.6	-173.8	-174	-88.8	0	0	0	111	D288 F294 M295	Y286-D288 HydrophobicContact CE1-CB 4.34Å; Y286-F294 CarbonylContact O-C 3.54Å; Y286-F294 WeakPolarHBondContact O-CA 3.11Å; Y286-M295 HydrophobicContact CD1-CB 3.6Å; Y286-M295 HydrophobicContact CD1-CG 3.34Å; Y286-M295 HydrophobicContact CE1-CB 4.22Å; Y286-M295 HydrophobicContact CE1-CG 3.49Å; Y286-M295 VanDerWaalsContact CE1-CG 3.49Å; Y286-M295 PolarHBondContact O-N 3.3Å
287	F	86.8	Confident	85.2	Confident	54 Å²	54	58.5 Å²	58.5	24%	0.237	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129	174.4	-175.9	-96.2	0	0	0	109.6	F51 I53 P289 F294	F51-F287 WeakPolarHBondContact O-CZ 3.31Å; I53-F287 HydrophobicContact CD1-CE2 4.19Å; I53-F287 HydrophobicContact CG1-CE2 4.47Å; F287-P289 WeakPolarHBondContact O-CD 3.44Å; F287-F294 HydrophobicContact CB-CD1 3.93Å; F287-F294 HydrophobicContact CB-CE1 3.9Å; F287-F294 HydrophobicContact CD2-CD1 4.01Å; F287-F294 HydrophobicContact CD2-CD2 4.02Å; F287-F294 HydrophobicContact CD2-CE1 4.01Å; F287-F294 HydrophobicContact CD2-CE2 4.02Å; F287-F294 HydrophobicContact CD2-CG 4.03Å; F287-F294 HydrophobicContact CD2-CZ 4.02Å; F287-F294 HydrophobicContact CG-CD1 4.49Å; F287-F294 HydrophobicContact CG-CE1 4.42Å
288	D	82.8	Confident	85.2	Confident	20 Å²	20	57.6 Å²	57.6	11%	0.107	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.4	175.2	-174.1	-22.6	0	0	0	109.6	Y286 T290 H291 G292 F293 M295	Y286-D288 HydrophobicContact CE1-CB 4.34Å; D288-T290 VanDerWaalsContact C-N 3.27Å; D288-T290 PolarHBondContact O-N 3.04Å; D288-T290 WeakPolarHBondContact OD1-CA 3.4Å; D288-T290 VanDerWaalsContact OD1-CB 3.27Å; D288-T290 WeakPolarHBondContact OD1-CB 3.29Å; D288-T290 PolarHBondContact OD1-N 3.25Å; D288-H291 PolarHBondContact OD1-N 3.09Å; D288-H291 IonicContact OD1-ND1 3.63Å; D288-H291 IonicContact OD2-CE1 3.87Å; D288-H291 IonicContact OD2-CG 2.7Å; D288-H291 IonicContact OD2-ND1 3.64Å; D288-H291 PolarHBondContact OD2-ND1 3.13Å; D288-G292 WeakPolarHBondContact O-CA 3.4Å; D288-G292 PolarHBondContact O-N 3.05Å; D288-F293 PolarHBondContact N-O 3.36Å; D288-F293 PolarHBondContact O-N 2.95Å; D288-M295 HydrophobicContact CB-CG 3.83Å; D288-M295 HydrophobicContact CB-SD 3.78Å
289	P	79.8	Confident	85.6	Confident	101 Å²	101	62.5 Å²	62.5	66%	0.656	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.3	-179.1	31.1	-35.6	0	0	0	113.4	F287	F287-P289 WeakPolarHBondContact O-CD 3.44Å
290	T	78.9	Confident	86.2	Confident	109 Å²	109	59.6 Å²	59.6	67%	0.669	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-45	179.4	-58.8	0	0	0	0	110.5	D288	D288-T290 VanDerWaalsContact C-N 3.27Å; D288-T290 PolarHBondContact O-N 3.04Å; D288-T290 WeakPolarHBondContact OD1-CA 3.4Å; D288-T290 VanDerWaalsContact OD1-CB 3.27Å; D288-T290 WeakPolarHBondContact OD1-CB 3.29Å; D288-T290 PolarHBondContact OD1-N 3.25Å
291	H	74.8	Confident	87	Confident	42 Å²	42	51.7 Å²	51.7	19%	0.194	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-16.3	-178.4	-58	95.9	0	0	0	113.3	D288 F293 N352	D288-H291 PolarHBondContact OD1-N 3.09Å; D288-H291 IonicContact OD1-ND1 3.63Å; D288-H291 IonicContact OD2-CE1 3.87Å; D288-H291 IonicContact OD2-CG 2.7Å; D288-H291 IonicContact OD2-ND1 3.64Å; D288-H291 PolarHBondContact OD2-ND1 3.13Å; H291-F293 HydrophobicContact CB-CD1 3.9Å; H291-F293 HydrophobicContact CB-CE1 3.36Å; H291-F293 HydrophobicContact CB-CE2 4.34Å; H291-F293 HydrophobicContact CB-CZ 3.59Å; H291-F293 WeakPolarHBondContact O-CD1 3.41Å; H291-N352 PolarHBondContact CD2-OD1 3.02Å
292	G	77.6	Confident	88.1	Confident	28 Å²	28	52.6 Å²	52.6	29%	0.289	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	23.4	174.9	0	0	0	0	0	114.5	D288	D288-G292 WeakPolarHBondContact O-CA 3.4Å; D288-G292 PolarHBondContact O-N 3.05Å
293	F	84.4	Confident	88.8	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	167.2	177.4	57.9	-106.2	0	0	0	113.7	I53 A261 A262 D288 H291 M295 Y356	I53-F293 HydrophobicContact CD1-CB 4.26Å; A261-F293 HydrophobicContact CB-CD1 4.35Å; A261-F293 HydrophobicContact CB-CE1 3.85Å; A261-F293 HydrophobicContact CB-CE2 4.39Å; A261-F293 HydrophobicContact CB-CZ 3.91Å; A262-F293 HydrophobicContact CB-CB 4.01Å; D288-F293 PolarHBondContact N-O 3.36Å; D288-F293 PolarHBondContact O-N 2.95Å; H291-F293 HydrophobicContact CB-CD1 3.9Å; H291-F293 HydrophobicContact CB-CE1 3.36Å; H291-F293 HydrophobicContact CB-CE2 4.34Å; H291-F293 HydrophobicContact CB-CZ 3.59Å; H291-F293 WeakPolarHBondContact O-CD1 3.41Å; F293-M295 HydrophobicContact CD2-SD 4.24Å; F293-M295 HydrophobicContact CE2-SD 3.66Å; F293-Y356 HydrophobicContact CZ-CD2 4.1Å
294	F	88.7	Confident	89.4	Confident	19 Å²	19	53.8 Å²	53.8	8%	0.083	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.6	175.6	-71.5	-81	0	0	0	111.8	I53 A265 Y266 N283 P284 Y286 F287	I53-F294 HydrophobicContact CD1-CD2 4.31Å; A265-F294 HydrophobicContact CB-CB 3.77Å; A265-F294 VanDerWaalsContact CB-O 3.27Å; A265-F294 WeakPolarHBondContact CB-O 3.26Å; Y266-F294 HydrophobicContact CE2-CD2 4.19Å; Y266-F294 AromaticContact CZ-CD2 3.96Å; Y266-F294 WeakPolarHBondContact OH-CD2 3.31Å; Y266-F294 WeakPolarHBondContact OH-CE2 3.29Å; N283-F294 HydrophobicContact CB-CZ 4.27Å; P284-F294 HydrophobicContact CB-CB 3.7Å; P284-F294 HydrophobicContact CB-CD1 3.75Å; P284-F294 HydrophobicContact CB-CG 3.85Å; P284-F294 HydrophobicContact CG-CB 3.59Å; P284-F294 HydrophobicContact CG-CD1 4.01Å; P284-F294 HydrophobicContact CG-CD2 4.21Å; P284-F294 HydrophobicContact CG-CG 3.67Å; P284-F294 WeakPolarHBondContact O-CD1 3.18Å; P284-F294 WeakPolarHBondContact O-CE1 3.29Å; Y286-F294 CarbonylContact O-C 3.54Å; Y286-F294 WeakPolarHBondContact O-CA 3.11Å; F287-F294 HydrophobicContact CB-CD1 3.93Å; F287-F294 HydrophobicContact CB-CE1 3.9Å; F287-F294 HydrophobicContact CD2-CD1 4.01Å; F287-F294 HydrophobicContact CD2-CD2 4.02Å; F287-F294 HydrophobicContact CD2-CE1 4.01Å; F287-F294 HydrophobicContact CD2-CE2 4.02Å; F287-F294 HydrophobicContact CD2-CG 4.03Å; F287-F294 HydrophobicContact CD2-CZ 4.02Å; F287-F294 HydrophobicContact CG-CD1 4.49Å; F287-F294 HydrophobicContact CG-CE1 4.42Å
295	M	89.4	Confident	89.6	Confident	43 Å²	43	56.8 Å²	56.8	21%	0.212	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-78.4	132.5	179.9	-62.8	-61.6	-75	0	0	111.6	Y286 D288 F293	Y286-M295 HydrophobicContact CD1-CB 3.6Å; Y286-M295 HydrophobicContact CD1-CG 3.34Å; Y286-M295 HydrophobicContact CE1-CB 4.22Å; Y286-M295 HydrophobicContact CE1-CG 3.49Å; Y286-M295 VanDerWaalsContact CE1-CG 3.49Å; Y286-M295 PolarHBondContact O-N 3.3Å; D288-M295 HydrophobicContact CB-CG 3.83Å; D288-M295 HydrophobicContact CB-SD 3.78Å; F293-M295 HydrophobicContact CD2-SD 4.24Å; F293-M295 HydrophobicContact CE2-SD 3.66Å
296	P	93.4	Very high	89.8	Confident	23 Å²	23	53.3 Å²	53.3	15%	0.149	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-67	157.9	170.2	28	-34.5	0	0	0	111.8	F264 V300 V301	F264-P296 HydrophobicContact CB-CB 4.11Å; F264-P296 HydrophobicContact CB-CG 4.15Å; P296-V300 HydrophobicContact CB-CB 3.9Å; P296-V300 HydrophobicContact CB-CG1 3.92Å; P296-V301 HydrophobicContact CB-CB 4.38Å; P296-V301 HydrophobicContact CB-CG2 4.23Å; P296-V301 HydrophobicContact CG-CB 3.67Å; P296-V301 HydrophobicContact CG-CG2 3.57Å
297	S	96.3	Very high	89.9	Confident	28 Å²	28	55.9 Å²	55.9	20%	0.196	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-73.2	163.7	169.3	74.2	0	0	0	0	111.8	L275 T276 R299 V300 V301	L275-S297 PolarHBondContact O-OG 2.69Å; T276-S297 PolarHBondContact OG1-N 3.34Å; S297-R299 PolarHBondContact O-N 3Å; S297-R299 PolarHBondContact OG-N 2.61Å; S297-V300 PolarHBondContact O-N 2.93Å; S297-V301 PolarHBondContact O-N 3.41Å
298	E	96.2	Very high	90.1	Very high	113 Å²	113	56.7 Å²	56.7	53%	0.528	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-8	172	-69.9	-71	141.2	0	0	114.3	V300 V301 K302 V324	E298-V300 VanDerWaalsContact C-N 3.34Å; E298-V301 WeakPolarHBondContact CA-O 3.33Å; E298-K302 WeakPolarHBondContact OE2-CA 3.48Å; E298-K302 WeakPolarHBondContact OE2-CB 3.48Å; E298-K302 WeakPolarHBondContact OE2-CG 3.49Å; E298-V324 WeakPolarHBondContact O-CG2 3.48Å
299	R	97.1	Very high	90.5	Very high	144 Å²	144	56 Å²	56	54%	0.543	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.3	171.4	-61.6	176.1	63.7	-162.5	0.9	112.7	L275 S297	L275-R299 VanDerWaalsContact CD2-CZ 3.5Å; L275-R299 VanDerWaalsContact CD2-NH2 3.29Å; S297-R299 PolarHBondContact O-N 3Å; S297-R299 PolarHBondContact OG-N 2.61Å
300	V	97.6	Very high	91.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-66.1	-176.9	178.9	0	0	0	0	108.2	F264 F267 L275 P296 S297 E298 M323 V324 T325	F264-V300 HydrophobicContact CB-CG1 4.15Å; F267-V300 HydrophobicContact CB-CG2 4.36Å; F267-V300 HydrophobicContact CD2-CG1 3.87Å; F267-V300 HydrophobicContact CE2-CG1 4.46Å; F267-V300 HydrophobicContact CG-CG1 4.38Å; L275-V300 HydrophobicContact CB-CG2 3.45Å; L275-V300 VanDerWaalsContact CB-CG2 3.45Å; L275-V300 HydrophobicContact CD1-CG2 3.72Å; L275-V300 HydrophobicContact CG-CG2 4.22Å; P296-V300 HydrophobicContact CB-CB 3.9Å; P296-V300 HydrophobicContact CB-CG1 3.92Å; S297-V300 PolarHBondContact O-N 2.93Å; E298-V300 VanDerWaalsContact C-N 3.34Å; V300-M323 VanDerWaalsContact C-CE 3.45Å; V300-M323 HydrophobicContact CB-CE 4.3Å; V300-M323 HydrophobicContact CG1-CE 3.3Å; V300-M323 WeakPolarHBondContact O-CA 3.38Å; V300-M323 WeakPolarHBondContact O-CE 3.39Å; V300-V324 WeakPolarHBondContact O-CG2 3.36Å; V300-V324 PolarHBondContact O-N 2.91Å; V300-T325 HydrophobicContact CB-CG2 4.46Å; V300-T325 HydrophobicContact CG1-CG2 4.2Å
301	V	96	Very high	91.6	Very high	15 Å²	15	47.2 Å²	47.2	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.4	173.7	-178.4	0	0	0	0	109.1	F264 P296 S297 E298 K321 M322 M323 L346	F264-V301 HydrophobicContact CD2-CG2 3.82Å; F264-V301 HydrophobicContact CE2-CG2 4.48Å; P296-V301 HydrophobicContact CB-CB 4.38Å; P296-V301 HydrophobicContact CB-CG2 4.23Å; P296-V301 HydrophobicContact CG-CB 3.67Å; P296-V301 HydrophobicContact CG-CG2 3.57Å; S297-V301 PolarHBondContact O-N 3.41Å; E298-V301 WeakPolarHBondContact CA-O 3.33Å; V301-K321 HydrophobicContact CG1-CB 3.99Å; V301-K321 HydrophobicContact CG1-CD 4.16Å; V301-K321 HydrophobicContact CG1-CG 4.42Å; V301-M322 CarbonylContact C-O 3.56Å; V301-M322 VanDerWaalsContact CA-O 3.29Å; V301-M322 WeakPolarHBondContact CA-O 3.27Å; V301-M323 HydrophobicContact CG2-CE 3.56Å; V301-L346 HydrophobicContact CG1-CD1 4.11Å; V301-L346 HydrophobicContact CG2-CD1 3.98Å
302	K	95.8	Very high	92.2	Very high	91 Å²	91	48.6 Å²	48.6	40%	0.396	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.7	178.4	170.1	158.8	-167.6	-171.2	0	110.6	E298 V304 M322 V324	E298-K302 WeakPolarHBondContact OE2-CA 3.48Å; E298-K302 WeakPolarHBondContact OE2-CB 3.48Å; E298-K302 WeakPolarHBondContact OE2-CG 3.49Å; K302-V304 HydrophobicContact CG-CG2 3.98Å; K302-M322 PolarHBondContact N-O 3.47Å; K302-M322 PolarHBondContact O-N 3.32Å; K302-V324 HydrophobicContact CB-CG1 3.79Å; K302-V324 HydrophobicContact CB-CG2 3.95Å
303	T	95	Very high	92.8	Very high	49 Å²	49	52.8 Å²	52.8	30%	0.301	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.3	165	-72.4	0	0	0	0	109.8	T319 I320 K321	T303-T319 HydrophobicContact CG2-CG2 3.46Å; T303-T319 VanDerWaalsContact CG2-CG2 3.46Å; T303-I320 WeakPolarHBondContact CA-O 3.27Å; T303-K321 WeakPolarHBondContact OG1-CD 3.04Å; T303-K321 VanDerWaalsContact OG1-CE 3.28Å; T303-K321 WeakPolarHBondContact OG1-CE 3.21Å; T303-K321 PolarHBondContact OG1-NZ 3.08Å
304	V	95.6	Very high	93.1	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.9	177	-178.7	0	0	0	0	108.9	K302 T319 I320 M322	K302-V304 HydrophobicContact CG-CG2 3.98Å; V304-T319 WeakPolarHBondContact O-CA 3.44Å; V304-I320 HydrophobicContact CB-CD1 4.38Å; V304-I320 HydrophobicContact CB-CG1 3.9Å; V304-I320 HydrophobicContact CG1-CG1 4.5Å; V304-I320 PolarHBondContact N-O 2.69Å; V304-I320 WeakPolarHBondContact O-CG1 3.34Å; V304-I320 PolarHBondContact O-N 3.16Å; V304-M322 HydrophobicContact CG2-CB 3.9Å; V304-M322 HydrophobicContact CG2-CE 4.47Å
305	V	95.6	Very high	93.2	Very high	64 Å²	64	59.3 Å²	59.3	39%	0.388	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.1	175.9	-177	0	0	0	0	108.4	R307 N317 H318 T319	V305-R307 HydrophobicContact CG1-CG 4.38Å; V305-N317 HydrophobicContact CG1-CB 3.92Å; V305-H318 CarbonylContact C-O 3.54Å; V305-H318 WeakPolarHBondContact CA-O 3.12Å; V305-T319 HydrophobicContact CG2-CG2 4.36Å
306	R	94.1	Very high	93.4	Very high	13 Å²	13	59.7 Å²	59.7	5%	0.049	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.3	167.6	-60.9	-63	176.9	-133.9	2.3	107.6	W309 N317 H318 I320 E342 M415	R306-W309 HydrophobicContact CB-CE3 4.02Å; R306-W309 HydrophobicContact CG-CE3 4.26Å; R306-W309 HydrophobicContact CG-CZ3 4.34Å; R306-N317 CarbonylContact O-C 3.55Å; R306-N317 VanDerWaalsContact O-CA 3.29Å; R306-N317 WeakPolarHBondContact O-CA 3.31Å; R306-H318 PolarHBondContact N-O 2.87Å; R306-H318 PolarHBondContact O-N 2.86Å; R306-I320 HydrophobicContact CG-CD1 4.25Å; R306-E342 IonicContact CZ-OE1 2.71Å; R306-E342 IonicContact CZ-OE2 3.92Å; R306-E342 IonicContact NH1-OE1 3.54Å; R306-E342 PolarHBondContact NH1-OE1 2.94Å; R306-E342 IonicContact NH1-OE2 2.71Å; R306-E342 PolarHBondContact NH1-OE2 3.26Å; R306-E342 IonicContact NH2-OE1 3.51Å; R306-E342 IonicContact NH2-OE2 3.37Å; R306-E342 PolarHBondContact NH2-OE2 2.87Å; R306-M415 WeakPolarHBondContact CD-O 3.25Å
307	R	93.1	Very high	93.4	Very high	200 Å²	200	63.7 Å²	63.7	76%	0.755	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	-11.3	-171.8	-64.9	-177.3	178.9	179.5	-1.6	113.9	V305 R316 N317	V305-R307 HydrophobicContact CG1-CG 4.38Å; R307-R316 CarbonylContact C-O 3.53Å; R307-R316 VanDerWaalsContact C-O 3.27Å; R307-N317 WeakPolarHBondContact CA-OD1 3.06Å
308	D	90.6	Very high	93.2	Very high	72 Å²	72	62.8 Å²	62.8	39%	0.385	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	29.8	-172.7	59.2	-30.5	0	0	0	111.1	F310 R315	D308-F310 PolarHBondContact O-N 3.42Å; D308-R315 WeakPolarHBondContact O-CD 3.27Å; D308-R315 PolarHBondContact O-NH1 3.19Å
309	W	91.6	Very high	93	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	123	178.7	-162.1	-107.5	0	0	0	110.5	R306 R315 R316 H318 N417 D474	R306-W309 HydrophobicContact CB-CE3 4.02Å; R306-W309 HydrophobicContact CG-CE3 4.26Å; R306-W309 HydrophobicContact CG-CZ3 4.34Å; W309-R315 CarbonylContact O-C 3.48Å; W309-R315 VanDerWaalsContact O-CA 3.3Å; W309-R315 WeakPolarHBondContact O-CA 3.44Å; W309-R316 VanDerWaalsContact CB-O 3.3Å; W309-R316 WeakPolarHBondContact CB-O 3.35Å; W309-R316 PolarHBondContact N-O 2.74Å; W309-R316 PolarHBondContact O-N 2.88Å; W309-H318 HydrophobicContact CB-CB 3.62Å; W309-H318 HydrophobicContact CD2-CB 3.61Å; W309-H318 AromaticContact CD2-CD2 3.89Å; W309-H318 AromaticContact CD2-CG 3.77Å; W309-H318 AromaticContact CE2-CD2 3.75Å; W309-H318 AromaticContact CE2-CG 3.74Å; W309-H318 HydrophobicContact CE3-CB 4.08Å; W309-H318 HydrophobicContact CG-CB 3.43Å; W309-H318 VanDerWaalsContact CG-CB 3.43Å; W309-H318 AromaticContact CG-CG 3.98Å; W309-H318 AromaticContact CH2-CD2 3.82Å; W309-H318 AromaticContact CZ2-CD2 3.71Å; W309-H318 AromaticContact CZ2-NE2 3.89Å; W309-H318 AromaticContact CZ3-CD2 4Å; W309-H318 AromaticContact NE1-CG 4Å; W309-N417 HydrophobicContact CD2-CB 4.16Å; W309-N417 HydrophobicContact CE3-CB 4.31Å; W309-N417 HydrophobicContact CH2-CB 3.68Å; W309-N417 HydrophobicContact CZ2-CB 3.48Å; W309-N417 VanDerWaalsContact CZ2-CB 3.48Å; W309-N417 HydrophobicContact CZ3-CB 4.08Å; W309-N417 PolarHBondContact NE1-ND2 2.04Å; W309-D474 PolarHBondContact NE1-O 3.44Å
310	F	91.3	Very high	92.8	Very high	25 Å²	25	54.6 Å²	54.6	11%	0.11	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.7	-173.6	174.1	-89.1	0	0	0	111.6	D308 N417 E420	D308-F310 PolarHBondContact O-N 3.42Å; F310-N417 PolarHBondContact N-ND2 3.15Å; F310-N417 PolarHBondContact O-ND2 2.97Å; F310-E420 HydrophobicContact CB-CB 3.73Å; F310-E420 HydrophobicContact CB-CG 4.45Å; F310-E420 HydrophobicContact CD1-CB 4.32Å; F310-E420 HydrophobicContact CD2-CB 4.39Å; F310-E420 HydrophobicContact CG-CB 3.9Å
311	T	89.8	Confident	92.7	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163	170.9	71.1	0	0	0	0	108.9	F313 G314 R316	T311-F313 PolarHBondContact O-N 3.2Å; T311-F313 PolarHBondContact OG1-N 3.48Å; T311-G314 PolarHBondContact N-O 2.89Å; T311-G314 PolarHBondContact O-N 3.46Å; T311-G314 PolarHBondContact OG1-N 3.01Å; T311-G314 PolarHBondContact OG1-O 3.38Å; T311-R316 HydrophobicContact CG2-CG 4.5Å; T311-R316 PolarHBondContact OG1-NE 2.73Å; T311-R316 PolarHBondContact OG1-NH2 2.96Å
312	R	87	Confident	92.7	Very high	70 Å²	70	56 Å²	56	26%	0.264	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-32.1	171.9	-169.6	-170.9	178.8	-170.2	2.8	113.3	Q476 F478 D479 P486	R312-Q476 HydrophobicContact CB-CB 4.34Å; R312-Q476 PolarHBondContact N-O 3.25Å; R312-F478 VanDerWaalsContact CD-O 3.29Å; R312-F478 WeakPolarHBondContact CD-O 3.32Å; R312-F478 WeakPolarHBondContact CG-O 3Å; R312-D479 VanDerWaalsContact CG-OD1 3.26Å; R312-D479 WeakPolarHBondContact CG-OD1 3.46Å; R312-P486 PolarHBondContact NH2-O 2.72Å
313	F	90.1	Very high	92.8	Very high	116 Å²	116	51.6 Å²	51.6	51%	0.509	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.6	-178.1	-52.4	-71.4	0	0	0	114.1	T311 E473 Q476	T311-F313 PolarHBondContact O-N 3.2Å; T311-F313 PolarHBondContact OG1-N 3.48Å; F313-E473 HydrophobicContact CD2-CB 4.23Å; F313-E473 HydrophobicContact CD2-CG 4.36Å; F313-E473 HydrophobicContact CE2-CB 4.23Å; F313-E473 HydrophobicContact CE2-CG 4.1Å; F313-Q476 HydrophobicContact CE2-CB 4.5Å; F313-Q476 VanDerWaalsContact CE2-OE1 3.23Å
314	G	90.5	Very high	92.9	Very high	34 Å²	34	50.1 Å²	50.1	35%	0.351	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	115.8	-169.4	-179	0	0	0	0	0	114.1	T311	T311-G314 PolarHBondContact N-O 2.89Å; T311-G314 PolarHBondContact O-N 3.46Å; T311-G314 PolarHBondContact OG1-N 3.01Å; T311-G314 PolarHBondContact OG1-O 3.38Å
315	R	92.3	Very high	93	Very high	128 Å²	128	49.8 Å²	49.8	48%	0.483	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	140.4	-177.3	-59.2	-63.4	-173	135.6	-5.3	111.3	D308 W309 E420	D308-R315 WeakPolarHBondContact O-CD 3.27Å; D308-R315 PolarHBondContact O-NH1 3.19Å; W309-R315 CarbonylContact O-C 3.48Å; W309-R315 VanDerWaalsContact O-CA 3.3Å; W309-R315 WeakPolarHBondContact O-CA 3.44Å; R315-E420 IonicContact CZ-OE1 3.81Å; R315-E420 IonicContact CZ-OE2 3.53Å; R315-E420 VanDerWaalsContact NH1-CD 3.31Å; R315-E420 IonicContact NH1-OE1 3.57Å; R315-E420 PolarHBondContact NH1-OE1 3.05Å; R315-E420 IonicContact NH1-OE2 2.88Å; R315-E420 PolarHBondContact NH1-OE2 2.94Å; R315-E420 IonicContact NH2-OE1 3.31Å; R315-E420 PolarHBondContact NH2-OE1 3.39Å; R315-E420 IonicContact NH2-OE2 3.99Å; R315-E420 PolarHBondContact NH2-OE2 2.83Å
316	R	92	Very high	93.1	Very high	52 Å²	52	52.8 Å²	52.8	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	171.5	-179.6	-43.1	-175.1	-142.4	-177.8	5.3	113.1	R307 W309 T311 E473 D474	R307-R316 CarbonylContact C-O 3.53Å; R307-R316 VanDerWaalsContact C-O 3.27Å; W309-R316 VanDerWaalsContact CB-O 3.3Å; W309-R316 WeakPolarHBondContact CB-O 3.35Å; W309-R316 PolarHBondContact N-O 2.74Å; W309-R316 PolarHBondContact O-N 2.88Å; T311-R316 HydrophobicContact CG2-CG 4.5Å; T311-R316 PolarHBondContact OG1-NE 2.73Å; T311-R316 PolarHBondContact OG1-NH2 2.96Å; R316-E473 IonicContact CZ-OE2 3.65Å; R316-E473 IonicContact NH1-OE2 3.49Å; R316-E473 PolarHBondContact NH1-OE2 3.41Å; R316-E473 VanDerWaalsContact NH2-CB 3.34Å; R316-E473 PolarHBondContact NH2-O 2.84Å; R316-E473 IonicContact NH2-OE2 3.51Å; R316-D474 IonicContact CZ-OD1 2.67Å; R316-D474 IonicContact NH1-OD1 2.88Å
317	N	93.6	Very high	93.4	Very high	107 Å²	107	54.2 Å²	54.2	57%	0.572	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	126.4	169.2	-70.2	-20.9	0	0	0	110.3	V305 R306 R307	V305-N317 HydrophobicContact CG1-CB 3.92Å; R306-N317 CarbonylContact O-C 3.55Å; R306-N317 VanDerWaalsContact O-CA 3.29Å; R306-N317 WeakPolarHBondContact O-CA 3.31Å; R307-N317 WeakPolarHBondContact CA-OD1 3.06Å
318	H	91.7	Very high	93.6	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.2	171.9	-176.2	74.2	0	0	0	109.4	V305 R306 W309 I320 D474	V305-H318 CarbonylContact C-O 3.54Å; V305-H318 WeakPolarHBondContact CA-O 3.12Å; R306-H318 PolarHBondContact N-O 2.87Å; R306-H318 PolarHBondContact O-N 2.86Å; W309-H318 HydrophobicContact CB-CB 3.62Å; W309-H318 HydrophobicContact CD2-CB 3.61Å; W309-H318 AromaticContact CD2-CD2 3.89Å; W309-H318 AromaticContact CD2-CG 3.77Å; W309-H318 AromaticContact CE2-CD2 3.75Å; W309-H318 AromaticContact CE2-CG 3.74Å; W309-H318 HydrophobicContact CE3-CB 4.08Å; W309-H318 HydrophobicContact CG-CB 3.43Å; W309-H318 VanDerWaalsContact CG-CB 3.43Å; W309-H318 AromaticContact CG-CG 3.98Å; W309-H318 AromaticContact CH2-CD2 3.82Å; W309-H318 AromaticContact CZ2-CD2 3.71Å; W309-H318 AromaticContact CZ2-NE2 3.89Å; W309-H318 AromaticContact CZ3-CD2 4Å; W309-H318 AromaticContact NE1-CG 4Å; H318-I320 WeakPolarHBondContact CD2-CG2 3.45Å; H318-I320 WeakPolarHBondContact NE2-CG2 3.39Å; H318-D474 IonicContact ND1-OD2 3.82Å
319	T	92.9	Very high	94	Very high	82 Å²	82	45.8 Å²	45.8	50%	0.503	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.7	-172	-58.2	0	0	0	0	110.4	T303 V304 V305	T303-T319 HydrophobicContact CG2-CG2 3.46Å; T303-T319 VanDerWaalsContact CG2-CG2 3.46Å; V304-T319 WeakPolarHBondContact O-CA 3.44Å; V305-T319 HydrophobicContact CG2-CG2 4.36Å
320	I	93.3	Very high	94.3	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	160.8	-174.1	65.7	173.7	0	0	0	110.6	T303 V304 R306 H318 M322 E345	T303-I320 WeakPolarHBondContact CA-O 3.27Å; V304-I320 HydrophobicContact CB-CD1 4.38Å; V304-I320 HydrophobicContact CB-CG1 3.9Å; V304-I320 HydrophobicContact CG1-CG1 4.5Å; V304-I320 PolarHBondContact N-O 2.69Å; V304-I320 WeakPolarHBondContact O-CG1 3.34Å; V304-I320 PolarHBondContact O-N 3.16Å; R306-I320 HydrophobicContact CG-CD1 4.25Å; H318-I320 WeakPolarHBondContact CD2-CG2 3.45Å; H318-I320 WeakPolarHBondContact NE2-CG2 3.39Å; I320-M322 HydrophobicContact CD1-CE 3.76Å; I320-E345 HydrophobicContact CB-CG 4.31Å; I320-E345 HydrophobicContact CD1-CG 4.08Å; I320-E345 WeakPolarHBondContact CG2-OE1 3.47Å
321	K	94	Very high	94.7	Very high	43 Å²	43	50.4 Å²	50.4	19%	0.187	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.9	170.2	-67.2	-60.8	-173.7	162.4	0	109.9	V301 T303 L346 Y356	V301-K321 HydrophobicContact CG1-CB 3.99Å; V301-K321 HydrophobicContact CG1-CD 4.16Å; V301-K321 HydrophobicContact CG1-CG 4.42Å; T303-K321 WeakPolarHBondContact OG1-CD 3.04Å; T303-K321 VanDerWaalsContact OG1-CE 3.28Å; T303-K321 WeakPolarHBondContact OG1-CE 3.21Å; T303-K321 PolarHBondContact OG1-NZ 3.08Å; K321-L346 HydrophobicContact CB-CB 4.43Å; K321-L346 HydrophobicContact CB-CD1 4.5Å; K321-L346 PolarHBondContact O-N 3.44Å; K321-Y356 HydrophobicContact CB-CD1 3.96Å; K321-Y356 HydrophobicContact CB-CE1 3.9Å; K321-Y356 HydrophobicContact CD-CE1 4.37Å; K321-Y356 HydrophobicContact CG-CD1 3.74Å; K321-Y356 HydrophobicContact CG-CE1 3.21Å
322	M	96.2	Very high	95.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.4	-173.2	-169.3	76.4	71.9	0	0	110.1	V301 K302 V304 I320 V324 E342 A344 E345	V301-M322 CarbonylContact C-O 3.56Å; V301-M322 VanDerWaalsContact CA-O 3.29Å; V301-M322 WeakPolarHBondContact CA-O 3.27Å; K302-M322 PolarHBondContact N-O 3.47Å; K302-M322 PolarHBondContact O-N 3.32Å; V304-M322 HydrophobicContact CG2-CB 3.9Å; V304-M322 HydrophobicContact CG2-CE 4.47Å; I320-M322 HydrophobicContact CD1-CE 3.76Å; M322-V324 HydrophobicContact CB-CG1 3.89Å; M322-V324 HydrophobicContact CG-CG1 3.56Å; M322-V324 PolarHBondContact O-N 3.45Å; M322-E342 HydrophobicContact CE-CB 4.48Å; M322-E342 HydrophobicContact CG-CB 4.2Å; M322-A344 CarbonylContact C-O 3.27Å; M322-A344 WeakPolarHBondContact CA-O 3.43Å; M322-E345 HydrophobicContact SD-CB 4.41Å; M322-E345 PolarHBondContact SD-N 3.45Å
323	M	97.8	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	103.4	165.5	179.5	99.5	-64.2	0	0	109.3	F267 V300 V301 T325 V328 G343 A344 L346 W359 L386	F267-M323 HydrophobicContact CE2-CE 4.42Å; F267-M323 HydrophobicContact CE2-SD 4.03Å; V300-M323 VanDerWaalsContact C-CE 3.45Å; V300-M323 HydrophobicContact CB-CE 4.3Å; V300-M323 HydrophobicContact CG1-CE 3.3Å; V300-M323 WeakPolarHBondContact O-CA 3.38Å; V300-M323 WeakPolarHBondContact O-CE 3.39Å; V301-M323 HydrophobicContact CG2-CE 3.56Å; M323-T325 HydrophobicContact CE-CG2 4.07Å; M323-T325 HydrophobicContact CG-CG2 4.5Å; M323-T325 HydrophobicContact SD-CG2 4.28Å; M323-V328 HydrophobicContact CB-CG1 4.29Å; M323-V328 HydrophobicContact CG-CB 4.17Å; M323-V328 HydrophobicContact CG-CG1 3.9Å; M323-V328 HydrophobicContact CG-CG2 4.03Å; M323-G343 CarbonylContact O-C 3.47Å; M323-G343 WeakPolarHBondContact O-CA 3Å; M323-A344 HydrophobicContact CB-CB 4.48Å; M323-A344 PolarHBondContact N-O 2.86Å; M323-A344 PolarHBondContact O-N 3.05Å; M323-L346 HydrophobicContact CB-CD1 4.47Å; M323-L346 HydrophobicContact CB-CD2 4.29Å; M323-L346 HydrophobicContact CB-CG 4.33Å; M323-W359 HydrophobicContact CB-CH2 4.26Å; M323-W359 HydrophobicContact CB-CZ3 3.89Å; M323-W359 HydrophobicContact CG-CH2 4.15Å; M323-W359 HydrophobicContact CG-CZ3 4.29Å; M323-L386 HydrophobicContact CG-CD1 4.44Å; M323-L386 HydrophobicContact SD-CD1 3.74Å; M323-L386 HydrophobicContact SD-CG 4.25Å
324	V	98.2	Very high	96.1	Very high	17 Å²	17	53.1 Å²	53.1	10%	0.103	24%	0.238	C	C	.	.			trans	-102.9	16.6	-171.4	-63.4	0	0	0	0	113.7	E298 V300 K302 M322 E342	E298-V324 WeakPolarHBondContact O-CG2 3.48Å; V300-V324 WeakPolarHBondContact O-CG2 3.36Å; V300-V324 PolarHBondContact O-N 2.91Å; K302-V324 HydrophobicContact CB-CG1 3.79Å; K302-V324 HydrophobicContact CB-CG2 3.95Å; M322-V324 HydrophobicContact CB-CG1 3.89Å; M322-V324 HydrophobicContact CG-CG1 3.56Å; M322-V324 PolarHBondContact O-N 3.45Å; V324-E342 HydrophobicContact CG1-CB 4.35Å; V324-E342 WeakPolarHBondContact CG1-O 3.43Å
325	T	98.3	Very high	96.4	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.025	23%	0.225	C	C	.	.			trans	-63.9	155.4	177.8	60.1	0	0	0	0	111.6	F267 V300 M323 R327 V328 R329 D389	F267-T325 HydrophobicContact CD2-CG2 4.26Å; V300-T325 HydrophobicContact CB-CG2 4.46Å; V300-T325 HydrophobicContact CG1-CG2 4.2Å; M323-T325 HydrophobicContact CE-CG2 4.07Å; M323-T325 HydrophobicContact CG-CG2 4.5Å; M323-T325 HydrophobicContact SD-CG2 4.28Å; T325-R327 PolarHBondContact O-N 2.7Å; T325-V328 PolarHBondContact O-N 2.91Å; T325-V328 WeakPolarHBondContact OG1-CB 3.31Å; T325-V328 VanDerWaalsContact OG1-CG2 3.26Å; T325-V328 WeakPolarHBondContact OG1-CG2 3.46Å; T325-R329 VanDerWaalsContact O-CB 3.25Å; T325-R329 WeakPolarHBondContact O-CB 3.31Å; T325-R329 PolarHBondContact O-N 3.43Å; T325-D389 WeakPolarHBondContact CB-OD2 3.36Å; T325-D389 HydrophobicContact CG2-CB 4.26Å; T325-D389 WeakPolarHBondContact OG1-CB 3.12Å; T325-D389 PolarHBondContact OG1-OD2 3.47Å
326	E	97.8	Very high	96.7	Very high	127 Å²	127	46.2 Å²	46.2	59%	0.593	20%	0.202	S	C	*	.	H	α-helix	trans	-59	-48.9	-163.8	-174.2	-176.2	168	0	0	113.8	R330 D389	E326-R330 WeakPolarHBondContact O-CB 3.38Å; E326-R330 PolarHBondContact O-N 3.1Å; E326-R330 VanDerWaalsContact O-N 3.07Å; E326-D389 PolarHBondContact N-OD2 2.76Å
327	R	98.5	Very high	97	Very high	44 Å²	44	48.8 Å²	48.8	17%	0.166	22%	0.22	C	C	.	.	H	α-helix	trans	-79.8	-37.6	-177.1	-62.6	171.1	179	74.6	-6.8	111.6	T325 R329 R330 E331 A385 E388 D389	T325-R327 PolarHBondContact O-N 2.7Å; R327-R329 VanDerWaalsContact C-N 3.31Å; R327-R329 PolarHBondContact O-N 2.68Å; R327-R330 WeakPolarHBondContact O-CB 3.2Å; R327-R330 PolarHBondContact O-N 2.49Å; R327-R330 VanDerWaalsContact O-N 3.1Å; R327-E331 WeakPolarHBondContact O-CG 3.26Å; R327-E331 PolarHBondContact O-N 2.94Å; R327-A385 HydrophobicContact CB-CB 3.79Å; R327-E388 IonicContact CZ-OE1 3.88Å; R327-E388 VanDerWaalsContact CZ-OE1 3.24Å; R327-E388 IonicContact NE-OE1 3.52Å; R327-E388 PolarHBondContact NE-OE1 3.26Å; R327-E388 IonicContact NE-OE2 2.68Å; R327-E388 IonicContact NH2-OE1 3.78Å; R327-E388 PolarHBondContact NH2-OE1 3.49Å; R327-D389 WeakPolarHBondContact CA-OD2 3.14Å; R327-D389 VanDerWaalsContact CB-OD1 3.31Å; R327-D389 WeakPolarHBondContact CB-OD1 3.28Å; R327-D389 WeakPolarHBondContact CB-OD2 3.46Å; R327-D389 VanDerWaalsContact CD-OD1 3.26Å; R327-D389 WeakPolarHBondContact CD-OD1 3.4Å; R327-D389 WeakPolarHBondContact CG-OD1 3.28Å; R327-D389 IonicContact CZ-OD1 3.31Å; R327-D389 PolarHBondContact N-OD1 2.79Å; R327-D389 PolarHBondContact N-OD2 2.95Å; R327-D389 IonicContact NE-OD1 3.97Å; R327-D389 IonicContact NH1-OD1 2.72Å; R327-D389 PolarHBondContact NH1-OD1 3.43Å
328	V	98.6	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.2	-52.6	173.4	171.9	0	0	0	0	109.1	M323 T325 R330 E331 V332 A344 W359 A385 L386 D389	M323-V328 HydrophobicContact CB-CG1 4.29Å; M323-V328 HydrophobicContact CG-CB 4.17Å; M323-V328 HydrophobicContact CG-CG1 3.9Å; M323-V328 HydrophobicContact CG-CG2 4.03Å; T325-V328 PolarHBondContact O-N 2.91Å; T325-V328 WeakPolarHBondContact OG1-CB 3.31Å; T325-V328 VanDerWaalsContact OG1-CG2 3.26Å; T325-V328 WeakPolarHBondContact OG1-CG2 3.46Å; V328-R330 VanDerWaalsContact C-N 3.29Å; V328-R330 PolarHBondContact O-N 3.45Å; V328-E331 PolarHBondContact O-N 3.15Å; V328-V332 HydrophobicContact CG1-CG1 4.44Å; V328-V332 VanDerWaalsContact O-CG2 3.24Å; V328-V332 WeakPolarHBondContact O-CG2 3.46Å; V328-V332 PolarHBondContact O-N 3.02Å; V328-A344 HydrophobicContact CG1-CB 3.41Å; V328-A344 VanDerWaalsContact CG1-CB 3.41Å; V328-W359 HydrophobicContact CG1-CH2 3.97Å; V328-W359 HydrophobicContact CG2-CH2 4.34Å; V328-A385 HydrophobicContact CG2-CB 4.28Å; V328-L386 VanDerWaalsContact CG2-CA 3.49Å; V328-L386 HydrophobicContact CG2-CB 3.79Å; V328-D389 PolarHBondContact N-OD2 2.88Å
329	R	98.6	Very high	97.6	Very high	95 Å²	95	47.7 Å²	47.7	36%	0.358	22%	0.221	S	C	.	.	H	α-helix	trans	-57.7	-39	175.7	-174.8	176.3	65.9	-173.2	-3.8	112.6	T325 R327 V332 R333 E342	T325-R329 VanDerWaalsContact O-CB 3.25Å; T325-R329 WeakPolarHBondContact O-CB 3.31Å; T325-R329 PolarHBondContact O-N 3.43Å; R327-R329 VanDerWaalsContact C-N 3.31Å; R327-R329 PolarHBondContact O-N 2.68Å; R329-V332 WeakPolarHBondContact O-CG2 3.46Å; R329-R333 HydrophobicContact CG-CG 4.48Å; R329-R333 WeakPolarHBondContact O-CB 3.38Å; R329-R333 WeakPolarHBondContact O-CD 3.15Å; R329-R333 WeakPolarHBondContact O-CG 3.26Å; R329-R333 PolarHBondContact O-N 3.15Å; R329-E342 WeakPolarHBondContact CD-O 3.47Å; R329-E342 WeakPolarHBondContact CG-O 3.17Å
330	R	98.6	Very high	97.8	Very high	118 Å²	118	49.4 Å²	49.4	45%	0.445	23%	0.227	S	C	.	.	H	α-helix	trans	-63.3	-49.3	176.2	-175.7	-171.7	70.1	-149.4	-3.7	111.7	E326 R327 V328 R334 Y397	E326-R330 WeakPolarHBondContact O-CB 3.38Å; E326-R330 PolarHBondContact O-N 3.1Å; E326-R330 VanDerWaalsContact O-N 3.07Å; R327-R330 WeakPolarHBondContact O-CB 3.2Å; R327-R330 PolarHBondContact O-N 2.49Å; R327-R330 VanDerWaalsContact O-N 3.1Å; V328-R330 VanDerWaalsContact C-N 3.29Å; V328-R330 PolarHBondContact O-N 3.45Å; R330-R334 PolarHBondContact O-N 3.32Å; R330-Y397 PolarHBondContact NH2-OH 3.07Å
331	E	98.7	Very high	98	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-71.6	-39.4	-175.7	-61.5	-53.8	133.3	0	0	112	R327 V328 R334 H335 R381 I382 A385 Y397	R327-E331 WeakPolarHBondContact O-CG 3.26Å; R327-E331 PolarHBondContact O-N 2.94Å; V328-E331 PolarHBondContact O-N 3.15Å; E331-R334 PolarHBondContact O-N 3.34Å; E331-R334 IonicContact OE2-NH1 3.77Å; E331-H335 VanDerWaalsContact O-CB 3.28Å; E331-H335 WeakPolarHBondContact O-CB 3.49Å; E331-H335 PolarHBondContact O-N 3.27Å; E331-R381 HydrophobicContact CG-CB 4.3Å; E331-R381 IonicContact OE1-NH2 2.71Å; E331-R381 IonicContact OE2-CZ 3.99Å; E331-R381 IonicContact OE2-NE 3.86Å; E331-R381 PolarHBondContact OE2-NE 3.23Å; E331-R381 IonicContact OE2-NH2 3.24Å; E331-R381 PolarHBondContact OE2-NH2 2.65Å; E331-I382 HydrophobicContact CB-CG1 4.12Å; E331-A385 HydrophobicContact CB-CB 4.37Å; E331-A385 HydrophobicContact CG-CB 3.76Å; E331-Y397 HydrophobicContact CG-CE1 4.26Å
332	V	98.5	Very high	98.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-40.1	175.9	-65.1	0	0	0	0	112.9	V328 R329 R334 H335 F336 L341 G343 A344 F364 I382	V328-V332 HydrophobicContact CG1-CG1 4.44Å; V328-V332 VanDerWaalsContact O-CG2 3.24Å; V328-V332 WeakPolarHBondContact O-CG2 3.46Å; V328-V332 PolarHBondContact O-N 3.02Å; R329-V332 WeakPolarHBondContact O-CG2 3.46Å; V332-R334 VanDerWaalsContact C-N 3.28Å; V332-R334 PolarHBondContact O-N 3.41Å; V332-H335 PolarHBondContact O-N 3.44Å; V332-F336 HydrophobicContact CB-CD2 4.27Å; V332-F336 HydrophobicContact CB-CE2 4.38Å; V332-F336 VanDerWaalsContact O-CD2 3.28Å; V332-F336 WeakPolarHBondContact O-CD2 3.41Å; V332-F336 PolarHBondContact O-N 2.75Å; V332-L341 HydrophobicContact CB-CD2 3.92Å; V332-L341 HydrophobicContact CG2-CD2 3.85Å; V332-L341 HydrophobicContact CG2-CG 4.45Å; V332-G343 WeakPolarHBondContact CG2-O 3.38Å; V332-A344 HydrophobicContact CG1-CB 3.68Å; V332-F364 HydrophobicContact CG1-CE1 4.36Å; V332-F364 HydrophobicContact CG1-CZ 4.13Å; V332-I382 HydrophobicContact CG1-CD1 4.06Å; V332-I382 HydrophobicContact CG1-CG1 4.11Å; V332-I382 HydrophobicContact CG1-CG2 3.71Å
333	R	98.7	Very high	98.2	Very high	85 Å²	85	49.9 Å²	49.9	32%	0.321	23%	0.23	S	C	.	.	H	α-helix	trans	-61.6	-39.9	175.4	-71.7	177.5	171.6	-172.4	-9.1	111.6	R329 N337 C338 S339 L341	R329-R333 HydrophobicContact CG-CG 4.48Å; R329-R333 WeakPolarHBondContact O-CB 3.38Å; R329-R333 WeakPolarHBondContact O-CD 3.15Å; R329-R333 WeakPolarHBondContact O-CG 3.26Å; R329-R333 PolarHBondContact O-N 3.15Å; R333-N337 CarbonylContact O-C 3.58Å; R333-N337 WeakPolarHBondContact O-CA 3.24Å; R333-N337 PolarHBondContact O-N 2.94Å; R333-C338 WeakPolarHBondContact CB-O 3.38Å; R333-C338 VanDerWaalsContact CG-O 3.24Å; R333-C338 WeakPolarHBondContact CG-O 3.29Å; R333-C338 PolarHBondContact O-N 3.07Å; R333-S339 PolarHBondContact NE-O 3.34Å; R333-S339 PolarHBondContact NH2-O 2.98Å; R333-L341 HydrophobicContact CG-CB 4.24Å; R333-L341 VanDerWaalsContact CZ-O 3.27Å; R333-L341 PolarHBondContact NE-O 3.14Å; R333-L341 PolarHBondContact NH2-O 3.17Å
334	R	98.5	Very high	98.2	Very high	159 Å²	159	49.9 Å²	49.9	60%	0.6	23%	0.23	S	C	*	.	H	α-helix	trans	-67.2	-44.6	175.3	179.6	-176.5	175.7	-169.2	-0.1	111.4	R330 E331 V332 N337	R330-R334 PolarHBondContact O-N 3.32Å; E331-R334 PolarHBondContact O-N 3.34Å; E331-R334 IonicContact OE2-NH1 3.77Å; V332-R334 VanDerWaalsContact C-N 3.28Å; V332-R334 PolarHBondContact O-N 3.41Å; R334-N337 PolarHBondContact O-N 3.1Å
335	H	98.5	Very high	98.2	Very high	17 Å²	17	49.2 Å²	49.2	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-56.7	-178.6	-179.3	75.1	0	0	0	111.7	E331 V332 N337 I382 L403 W405 F407 N408	E331-H335 VanDerWaalsContact O-CB 3.28Å; E331-H335 WeakPolarHBondContact O-CB 3.49Å; E331-H335 PolarHBondContact O-N 3.27Å; V332-H335 PolarHBondContact O-N 3.44Å; H335-N337 VanDerWaalsContact C-N 3.27Å; H335-N337 PolarHBondContact O-N 3.46Å; H335-I382 HydrophobicContact CB-CD1 4.08Å; H335-L403 PolarHBondContact CE1-O 2.86Å; H335-W405 PolarHBondContact CE1-O 2.77Å; H335-W405 PolarHBondContact NE2-O 3.19Å; H335-F407 AromaticContact ND1-CD2 3.88Å; H335-F407 WeakPolarHBondContact O-CA 3.48Å; H335-F407 WeakPolarHBondContact O-CD2 3.41Å; H335-N408 PolarHBondContact O-N 3.49Å
336	F	98.4	Very high	98	Very high	1 Å²	1	49 Å²	49	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-77.8	-10.7	-179.9	-66.1	-71.8	0	0	0	113.5	V332 C338 L341 L363 F364 G406 G410 F413 A414	V332-F336 HydrophobicContact CB-CD2 4.27Å; V332-F336 HydrophobicContact CB-CE2 4.38Å; V332-F336 VanDerWaalsContact O-CD2 3.28Å; V332-F336 WeakPolarHBondContact O-CD2 3.41Å; V332-F336 PolarHBondContact O-N 2.75Å; F336-C338 VanDerWaalsContact C-N 3.31Å; F336-C338 HydrophobicContact CB-CB 4.25Å; F336-C338 PolarHBondContact O-N 2.93Å; F336-L341 HydrophobicContact CD2-CD2 3.65Å; F336-L341 HydrophobicContact CE2-CD2 4.2Å; F336-L363 HydrophobicContact CZ-CB 4.15Å; F336-L363 WeakPolarHBondContact CZ-O 3.26Å; F336-F364 AromaticContact CE2-CE1 3.6Å; F336-F364 HydrophobicContact CE2-CE1 3.6Å; F336-F364 AromaticContact CE2-CZ 3.9Å; F336-F364 HydrophobicContact CE2-CZ 3.9Å; F336-F364 HydrophobicContact CZ-CD1 4.17Å; F336-F364 AromaticContact CZ-CE1 3.62Å; F336-F364 HydrophobicContact CZ-CE1 3.62Å; F336-F364 HydrophobicContact CZ-CZ 4.11Å; F336-G406 WeakPolarHBondContact CD1-O 3.18Å; F336-G410 WeakPolarHBondContact O-CA 3.25Å; F336-G410 PolarHBondContact O-N 2.86Å; F336-F413 HydrophobicContact CD1-CD1 4.01Å; F336-F413 HydrophobicContact CD1-CE1 4.48Å; F336-F413 AromaticContact CE1-CD1 3.89Å; F336-F413 HydrophobicContact CE1-CD1 3.89Å; F336-F413 AromaticContact CE1-CE1 3.95Å; F336-F413 HydrophobicContact CE1-CE1 3.95Å; F336-A414 HydrophobicContact CB-CB 3.99Å; F336-A414 HydrophobicContact CD1-CB 3.92Å; F336-A414 HydrophobicContact CD2-CB 4.1Å; F336-A414 HydrophobicContact CE1-CB 4.45Å; F336-A414 HydrophobicContact CG-CB 3.74Å
337	N	98.3	Very high	97.7	Very high	105 Å²	105	43 Å²	43	56%	0.561	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	48	-166.2	-169.7	23.3	0	0	0	112.3	R333 R334 H335 N408	R333-N337 CarbonylContact O-C 3.58Å; R333-N337 WeakPolarHBondContact O-CA 3.24Å; R333-N337 PolarHBondContact O-N 2.94Å; R334-N337 PolarHBondContact O-N 3.1Å; H335-N337 VanDerWaalsContact C-N 3.27Å; H335-N337 PolarHBondContact O-N 3.46Å; N337-N408 WeakPolarHBondContact CB-OD1 3.41Å; N337-N408 PolarHBondContact ND2-OD1 3.39Å
338	C	98.3	Very high	97	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	20%	0.198	C	C	.	.			trans	-128.3	102.8	178.6	177.3	0	0	0	0	110.8	R333 F336 L340 L341 C411	R333-C338 WeakPolarHBondContact CB-O 3.38Å; R333-C338 VanDerWaalsContact CG-O 3.24Å; R333-C338 WeakPolarHBondContact CG-O 3.29Å; R333-C338 PolarHBondContact O-N 3.07Å; F336-C338 VanDerWaalsContact C-N 3.31Å; F336-C338 HydrophobicContact CB-CB 4.25Å; F336-C338 PolarHBondContact O-N 2.93Å; C338-L340 VanDerWaalsContact C-N 3.27Å; C338-L340 PolarHBondContact O-N 3.47Å; C338-L341 HydrophobicContact CB-CB 4.33Å; C338-L341 PolarHBondContact O-N 2.97Å; C338-C411 WeakPolarHBondContact CA-SG 3.49Å; C338-C411 HydrophobicContact CB-CB 3.95Å; C338-C411 WeakPolarHBondContact CB-SG 3.3Å; C338-C411 WeakPolarHBondContact SG-CA 3.4Å; C338-C411 WeakPolarHBondContact SG-CB 3.16Å; C338-C411 CovalentContact SG-SG 2.04Å; C338-C411 PolarHBondContact SG-SG 3.12Å
339	S	98	Very high	95.6	Very high	92 Å²	92	43.9 Å²	43.9	64%	0.643	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.5	-179	58.8	0	0	0	0	114.4	R333	R333-S339 PolarHBondContact NE-O 3.34Å; R333-S339 PolarHBondContact NH2-O 2.98Å
340	L	97.5	Very high	93.7	Very high	118 Å²	118	41.7 Å²	41.7	62%	0.618	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-21	-178.5	-61.2	178.1	0	0	0	113.1	C338 E342 M415	C338-L340 VanDerWaalsContact C-N 3.27Å; C338-L340 PolarHBondContact O-N 3.47Å; L340-E342 PolarHBondContact O-N 2.86Å; L340-M415 HydrophobicContact CB-SD 4.11Å
341	L	97.5	Very high	91.8	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.211	C	C	.	.			trans	-59.1	129.6	-174.1	-167.1	62.7	0	0	0	111.3	V332 R333 F336 C338 G343 A414 M415	V332-L341 HydrophobicContact CB-CD2 3.92Å; V332-L341 HydrophobicContact CG2-CD2 3.85Å; V332-L341 HydrophobicContact CG2-CG 4.45Å; R333-L341 HydrophobicContact CG-CB 4.24Å; R333-L341 VanDerWaalsContact CZ-O 3.27Å; R333-L341 PolarHBondContact NE-O 3.14Å; R333-L341 PolarHBondContact NH2-O 3.17Å; F336-L341 HydrophobicContact CD2-CD2 3.65Å; F336-L341 HydrophobicContact CE2-CD2 4.2Å; C338-L341 HydrophobicContact CB-CB 4.33Å; C338-L341 PolarHBondContact O-N 2.97Å; L341-G343 WeakPolarHBondContact CG-O 3.4Å; L341-A414 HydrophobicContact CD1-CB 4.21Å; L341-A414 HydrophobicContact CD2-CB 4.2Å; L341-M415 HydrophobicContact CD1-CG 3.86Å
342	E	97.5	Very high	89.6	Confident	52 Å²	52	42.6 Å²	42.6	24%	0.243	23%	0.23	C	C	.	.			trans	-77	-26.8	-172.9	-58.4	91.5	151	0	0	113	R306 M322 V324 R329 L340	R306-E342 IonicContact CZ-OE1 2.71Å; R306-E342 IonicContact CZ-OE2 3.92Å; R306-E342 IonicContact NH1-OE1 3.54Å; R306-E342 PolarHBondContact NH1-OE1 2.94Å; R306-E342 IonicContact NH1-OE2 2.71Å; R306-E342 PolarHBondContact NH1-OE2 3.26Å; R306-E342 IonicContact NH2-OE1 3.51Å; R306-E342 IonicContact NH2-OE2 3.37Å; R306-E342 PolarHBondContact NH2-OE2 2.87Å; M322-E342 HydrophobicContact CE-CB 4.48Å; M322-E342 HydrophobicContact CG-CB 4.2Å; V324-E342 HydrophobicContact CG1-CB 4.35Å; V324-E342 WeakPolarHBondContact CG1-O 3.43Å; R329-E342 WeakPolarHBondContact CD-O 3.47Å; R329-E342 WeakPolarHBondContact CG-O 3.17Å; L340-E342 PolarHBondContact O-N 2.86Å
343	G	98	Very high	87.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	174.9	-159.8	-174.2	0	0	0	0	0	111.6	M323 V332 L341	M323-G343 CarbonylContact O-C 3.47Å; M323-G343 WeakPolarHBondContact O-CA 3Å; V332-G343 WeakPolarHBondContact CG2-O 3.38Å; L341-G343 WeakPolarHBondContact CG-O 3.4Å
344	A	98.1	Very high	85.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.4	170.9	0	0	0	0	0	110.3	M322 M323 V328 V332 W359 F364 I382	M322-A344 CarbonylContact C-O 3.27Å; M322-A344 WeakPolarHBondContact CA-O 3.43Å; M323-A344 HydrophobicContact CB-CB 4.48Å; M323-A344 PolarHBondContact N-O 2.86Å; M323-A344 PolarHBondContact O-N 3.05Å; V328-A344 HydrophobicContact CG1-CB 3.41Å; V328-A344 VanDerWaalsContact CG1-CB 3.41Å; V332-A344 HydrophobicContact CG1-CB 3.68Å; A344-W359 HydrophobicContact CB-CE3 3.73Å; A344-W359 HydrophobicContact CB-CH2 3.79Å; A344-W359 HydrophobicContact CB-CZ3 3.31Å; A344-F364 HydrophobicContact CB-CE2 4.31Å; A344-F364 HydrophobicContact CB-CZ 4.02Å; A344-I382 HydrophobicContact CB-CG2 4.44Å
345	E	96.9	Very high	83.6	Confident	3 Å²	3	32.3 Å²	32.3	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.4	177.1	-165.4	169.5	179.1	0	0	110.3	I320 M322 E360 R362 L363	I320-E345 HydrophobicContact CB-CG 4.31Å; I320-E345 HydrophobicContact CD1-CG 4.08Å; I320-E345 WeakPolarHBondContact CG2-OE1 3.47Å; M322-E345 HydrophobicContact SD-CB 4.41Å; M322-E345 PolarHBondContact SD-N 3.45Å; E345-E360 HydrophobicContact CB-CB 3.74Å; E345-E360 HydrophobicContact CB-CG 4.24Å; E345-E360 HydrophobicContact CG-CB 3.78Å; E345-E360 HydrophobicContact CG-CG 3.97Å; E345-E360 PolarHBondContact O-N 3.34Å; E345-E360 VanDerWaalsContact O-N 3.09Å; E345-R362 VanDerWaalsContact CD-NH2 3.25Å; E345-R362 IonicContact OE1-NH2 3.44Å; E345-R362 PolarHBondContact OE1-NH2 3.37Å; E345-R362 VanDerWaalsContact OE1-NH2 3.11Å; E345-R362 IonicContact OE2-CZ 2.69Å; E345-R362 IonicContact OE2-NH2 3.75Å; E345-R362 PolarHBondContact OE2-NH2 3.47Å; E345-L363 HydrophobicContact CB-CD1 3.82Å; E345-L363 WeakPolarHBondContact OE2-CD1 3.48Å
346	L	95.4	Very high	82.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	145.4	176.8	-64.3	172.2	0	0	0	109.3	F264 V301 K321 M323 N348 H358 W359	F264-L346 HydrophobicContact CE2-CD1 3.92Å; F264-L346 HydrophobicContact CE2-CD2 4.38Å; F264-L346 HydrophobicContact CZ-CD2 4.45Å; V301-L346 HydrophobicContact CG1-CD1 4.11Å; V301-L346 HydrophobicContact CG2-CD1 3.98Å; K321-L346 HydrophobicContact CB-CB 4.43Å; K321-L346 HydrophobicContact CB-CD1 4.5Å; K321-L346 PolarHBondContact O-N 3.44Å; M323-L346 HydrophobicContact CB-CD1 4.47Å; M323-L346 HydrophobicContact CB-CD2 4.29Å; M323-L346 HydrophobicContact CB-CG 4.33Å; L346-N348 PolarHBondContact O-N 3.26Å; L346-H358 WeakPolarHBondContact CA-O 3.45Å; L346-W359 HydrophobicContact CD2-CE3 3.79Å; L346-W359 HydrophobicContact CD2-CZ3 3.65Å
347	E	91.3	Very high	81.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-49.6	127.3	175.9	-88	-66	158.1	0	0	111.9	T354 Y356 H358 W359 K361	E347-T354 HydrophobicContact CB-CG2 4.41Å; E347-T354 HydrophobicContact CG-CG2 4.37Å; E347-Y356 PolarHBondContact O-N 3Å; E347-H358 HydrophobicContact CB-CB 4.23Å; E347-H358 HydrophobicContact CG-CB 3.83Å; E347-H358 PolarHBondContact N-O 2.97Å; E347-W359 WeakPolarHBondContact CG-O 3.4Å; E347-K361 WeakPolarHBondContact OE1-CB 3.14Å; E347-K361 PolarHBondContact OE1-N 3.32Å
348	N	82.9	Confident	81.7	Confident	40 Å²	40	28.5 Å²	28.5	21%	0.214	17%	0.172	C	C	.	.			trans	-110.5	-6.6	176.4	63.9	-12	0	0	0	112.3	L346	L346-N348 PolarHBondContact O-N 3.26Å
349	Q	69.9	Low	81.6	Confident	23 Å²	23	28.5 Å²	28.5	11%	0.107	17%	0.172	C	C	.	.	S	Bend	trans	-109.4	168.4	179.1	-67.2	177.3	-44	0	0	111.9	T354 Y475 E497 I498 D500	Q349-T354 WeakPolarHBondContact O-CG2 3.28Å; Q349-Y475 PolarHBondContact NE2-OH 3.39Å; Q349-E497 PolarHBondContact OE1-O 2.98Å; Q349-I498 HydrophobicContact CB-CG2 4.3Å; Q349-D500 PolarHBondContact OE1-OD1 2.84Å
350	G	58.6	Low	81.5	Confident	50 Å²	50	24.1 Å²	24.1	52%	0.515	14%	0.141	S	C	.	.	S	Bend	trans	93.1	-164.1	178.2	0	0	0	0	0	115.1
351	S	58.4	Low	81.2	Confident	63 Å²	63	18.5 Å²	18.5	44%	0.441	11%	0.112	S	C	.	.	S	Bend	trans	-70.8	166.7	-178.6	72.4	0	0	0	0	112	G353 T354 V355	S351-G353 PolarHBondContact O-N 3.49Å; S351-G353 PolarHBondContact OG-N 2.69Å; S351-T354 PolarHBondContact O-N 2.85Å; S351-T354 PolarHBondContact OG-OG1 2.8Å; S351-V355 PolarHBondContact O-N 2.81Å; S351-V355 VanDerWaalsContact O-N 3.16Å
352	N	53.3	Low	81.1	Confident	82 Å²	82	18.3 Å²	18.3	44%	0.439	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.8	174.8	-164.4	29.5	0	0	0	113.3	H291	H291-N352 PolarHBondContact CD2-OD1 3.02Å
353	G	53	Low	81	Confident	4 Å²	4	15.9 Å²	15.9	4%	0.041	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-35.2	171	0	0	0	0	0	114.4	Y27 S351	Y27-G353 VanDerWaalsContact CB-O 3.31Å; Y27-G353 WeakPolarHBondContact CB-O 3.31Å; Y27-G353 VanDerWaalsContact CD1-O 3.26Å; Y27-G353 WeakPolarHBondContact CD1-O 3.32Å; Y27-G353 WeakPolarHBondContact O-CA 3.33Å; S351-G353 PolarHBondContact O-N 3.49Å; S351-G353 PolarHBondContact OG-N 2.69Å
354	T	54.1	Low	80.9	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.006	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-40	-177.6	-47.4	0	0	0	0	111.2	E347 Q349 S351 Y356 G357	E347-T354 HydrophobicContact CB-CG2 4.41Å; E347-T354 HydrophobicContact CG-CG2 4.37Å; Q349-T354 WeakPolarHBondContact O-CG2 3.28Å; S351-T354 PolarHBondContact O-N 2.85Å; S351-T354 PolarHBondContact OG-OG1 2.8Å; T354-Y356 PolarHBondContact O-N 2.82Å; T354-Y356 VanDerWaalsContact O-N 3.17Å; T354-G357 PolarHBondContact O-N 3.34Å; T354-G357 VanDerWaalsContact O-N 3.11Å
355	V	62.5	Low	80.7	Confident	22 Å²	22	16.6 Å²	16.6	13%	0.133	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	119.8	-176.5	-179.4	0	0	0	0	110.3	S351 G357	S351-V355 PolarHBondContact O-N 2.81Å; S351-V355 VanDerWaalsContact O-N 3.16Å; V355-G357 PolarHBondContact O-N 2.95Å; V355-G357 VanDerWaalsContact O-N 3.13Å
356	Y	75.7	Confident	80.4	Confident	44 Å²	44	17.3 Å²	17.3	17%	0.173	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	-7.2	-176.6	-40.1	-41.7	0	0	0	116.6	F264 F293 K321 E347 T354 H358	F264-Y356 WeakPolarHBondContact CE2-O 3.45Å; F264-Y356 WeakPolarHBondContact CZ-O 3.12Å; F293-Y356 HydrophobicContact CZ-CD2 4.1Å; K321-Y356 HydrophobicContact CB-CD1 3.96Å; K321-Y356 HydrophobicContact CB-CE1 3.9Å; K321-Y356 HydrophobicContact CD-CE1 4.37Å; K321-Y356 HydrophobicContact CG-CD1 3.74Å; K321-Y356 HydrophobicContact CG-CE1 3.21Å; E347-Y356 PolarHBondContact O-N 3Å; T354-Y356 PolarHBondContact O-N 2.82Å; T354-Y356 VanDerWaalsContact O-N 3.17Å; Y356-H358 VanDerWaalsContact C-N 3.34Å
357	G	84.6	Confident	80.4	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.4	179.9	0	0	0	0	0	114	H255 F259 T354 V355	H255-G357 PolarHBondContact CE1-O 3.38Å; F259-G357 WeakPolarHBondContact CD1-O 3.15Å; F259-G357 VanDerWaalsContact CE1-O 3.27Å; F259-G357 WeakPolarHBondContact CE1-O 3.42Å; T354-G357 PolarHBondContact O-N 3.34Å; T354-G357 VanDerWaalsContact O-N 3.11Å; V355-G357 PolarHBondContact O-N 2.95Å; V355-G357 VanDerWaalsContact O-N 3.13Å
358	H	93.5	Very high	80.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-134.8	163.1	-168.3	-64	103.1	0	0	0	112	C25 H251 H255 L346 E347 Y356 M369	C25-H358 PolarHBondContact O-CE1 3.11Å; H251-H358 AromaticContact CE1-CD2 3.55Å; H251-H358 AromaticContact CE1-NE2 3.48Å; H251-H358 PolarHBondContact CE1-NE2 3.13Å; H251-H358 AromaticContact NE2-CD2 3.76Å; H251-H358 AromaticContact NE2-NE2 3.2Å; H251-H358 PolarHBondContact NE2-NE2 2.76Å; H255-H358 AromaticContact CE1-CD2 3.72Å; H255-H358 AromaticContact CE1-CE1 3.85Å; H255-H358 AromaticContact CE1-NE2 3.25Å; H255-H358 PolarHBondContact CE1-NE2 2.93Å; H255-H358 AromaticContact NE2-CD2 3.78Å; H255-H358 AromaticContact NE2-CE1 3.68Å; H255-H358 AromaticContact NE2-NE2 2.96Å; H255-H358 PolarHBondContact NE2-NE2 3.08Å; L346-H358 WeakPolarHBondContact CA-O 3.45Å; E347-H358 HydrophobicContact CB-CB 4.23Å; E347-H358 HydrophobicContact CG-CB 3.83Å; E347-H358 PolarHBondContact N-O 2.97Å; Y356-H358 VanDerWaalsContact C-N 3.34Å; H358-M369 VanDerWaalsContact CA-O 3.32Å; H358-M369 WeakPolarHBondContact CA-O 2.88Å; H358-M369 VanDerWaalsContact CB-O 3.28Å; H358-M369 WeakPolarHBondContact CB-O 3.3Å; H358-M369 PolarHBondContact CD2-O 3.41Å
359	W	96.6	Very high	81.1	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-72.9	141.8	167.6	-67.6	138.1	0	0	0	111.5	F259 M323 V328 A344 L346 E347 K361 F364 E367 M369 T370 I382 T383 L386	F259-W359 AromaticContact CE2-CD1 4Å; F259-W359 HydrophobicContact CE2-CD2 4.04Å; F259-W359 AromaticContact CE2-CE2 3.35Å; F259-W359 HydrophobicContact CE2-CG 4.38Å; F259-W359 HydrophobicContact CE2-CH2 4.34Å; F259-W359 AromaticContact CE2-CZ2 3.55Å; F259-W359 HydrophobicContact CE2-CZ2 3.55Å; F259-W359 AromaticContact CE2-NE1 3.36Å; F259-W359 AromaticContact CZ-CD1 3.98Å; F259-W359 AromaticContact CZ-CD2 3.52Å; F259-W359 HydrophobicContact CZ-CD2 3.52Å; F259-W359 AromaticContact CZ-CE2 3.34Å; F259-W359 AromaticContact CZ-CE3 3.97Å; F259-W359 HydrophobicContact CZ-CE3 3.97Å; F259-W359 AromaticContact CZ-CG 3.93Å; F259-W359 HydrophobicContact CZ-CG 3.93Å; F259-W359 HydrophobicContact CZ-CH2 4.07Å; F259-W359 AromaticContact CZ-CZ2 3.65Å; F259-W359 HydrophobicContact CZ-CZ2 3.65Å; F259-W359 HydrophobicContact CZ-CZ3 4.2Å; F259-W359 AromaticContact CZ-NE1 3.66Å; M323-W359 HydrophobicContact CB-CH2 4.26Å; M323-W359 HydrophobicContact CB-CZ3 3.89Å; M323-W359 HydrophobicContact CG-CH2 4.15Å; M323-W359 HydrophobicContact CG-CZ3 4.29Å; V328-W359 HydrophobicContact CG1-CH2 3.97Å; V328-W359 HydrophobicContact CG2-CH2 4.34Å; A344-W359 HydrophobicContact CB-CE3 3.73Å; A344-W359 HydrophobicContact CB-CH2 3.79Å; A344-W359 HydrophobicContact CB-CZ3 3.31Å; L346-W359 HydrophobicContact CD2-CE3 3.79Å; L346-W359 HydrophobicContact CD2-CZ3 3.65Å; E347-W359 WeakPolarHBondContact CG-O 3.4Å; W359-K361 PolarHBondContact O-N 3.01Å; W359-F364 HydrophobicContact CB-CB 4.22Å; W359-F364 HydrophobicContact CB-CD2 3.6Å; W359-F364 HydrophobicContact CB-CE2 4.25Å; W359-F364 HydrophobicContact CB-CG 4.1Å; W359-F364 HydrophobicContact CG-CD2 4.18Å; W359-E367 VanDerWaalsContact CD1-OE2 3.25Å; W359-M369 PolarHBondContact N-O 3.25Å; W359-T370 HydrophobicContact CB-CG2 4.27Å; W359-I382 HydrophobicContact CH2-CG2 4.43Å; W359-I382 HydrophobicContact CZ2-CG2 3.86Å; W359-T383 PolarHBondContact NE1-OG1 3.39Å; W359-L386 HydrophobicContact CH2-CB 4.1Å; W359-L386 HydrophobicContact CH2-CD1 3.38Å; W359-L386 HydrophobicContact CH2-CG 4.35Å; W359-L386 HydrophobicContact CZ2-CB 3.89Å; W359-L386 HydrophobicContact CZ2-CD1 3.66Å; W359-L386 HydrophobicContact CZ2-CG 4.43Å; W359-L386 HydrophobicContact CZ3-CD1 4.2Å
360	E	95.3	Very high	82.2	Confident	0 Å²	0	15 Å²	15	0%	0	10%	0.097	C	C	.	.			trans	-55	113.6	175.2	173.4	46.7	-122.9	0	0	112	E345 R362 L363 F364	E345-E360 HydrophobicContact CB-CB 3.74Å; E345-E360 HydrophobicContact CB-CG 4.24Å; E345-E360 HydrophobicContact CG-CB 3.78Å; E345-E360 HydrophobicContact CG-CG 3.97Å; E345-E360 PolarHBondContact O-N 3.34Å; E345-E360 VanDerWaalsContact O-N 3.09Å; E360-R362 VanDerWaalsContact C-N 3.29Å; E360-R362 HydrophobicContact CG-CB 4.17Å; E360-R362 PolarHBondContact O-N 3.07Å; E360-R362 WeakPolarHBondContact OE1-CB 3.42Å; E360-R362 PolarHBondContact OE1-N 3.16Å; E360-L363 HydrophobicContact CG-CB 4.35Å; E360-L363 HydrophobicContact CG-CG 4.28Å; E360-L363 PolarHBondContact O-N 3.03Å; E360-L363 VanDerWaalsContact O-N 3.08Å; E360-F364 VanDerWaalsContact O-CD2 3.28Å; E360-F364 WeakPolarHBondContact O-CD2 3.27Å; E360-F364 PolarHBondContact O-N 2.64Å; E360-F364 VanDerWaalsContact O-N 3.07Å
361	K	93.2	Very high	83.4	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.7	-30.2	-172.2	-167.7	172.3	-175.6	72.4	0	112.5	E347 W359 L363 F364 E365 T370 T372 T374 V496 I498 A499	E347-K361 WeakPolarHBondContact OE1-CB 3.14Å; E347-K361 PolarHBondContact OE1-N 3.32Å; W359-K361 PolarHBondContact O-N 3.01Å; K361-L363 PolarHBondContact O-N 3.4Å; K361-F364 PolarHBondContact O-N 2.93Å; K361-E365 PolarHBondContact NZ-O 3.19Å; K361-E365 IonicContact NZ-OE1 3.41Å; K361-E365 VanDerWaalsContact O-CA 3.3Å; K361-E365 WeakPolarHBondContact O-CA 3.21Å; K361-E365 PolarHBondContact O-N 2.88Å; K361-T370 HydrophobicContact CB-CG2 4.27Å; K361-T370 HydrophobicContact CG-CG2 4.23Å; K361-T370 PolarHBondContact NZ-OG1 3.47Å; K361-T372 WeakPolarHBondContact CD-OG1 3.43Å; K361-T372 WeakPolarHBondContact CE-OG1 3.38Å; K361-T372 PolarHBondContact NZ-O 3.47Å; K361-T372 VanDerWaalsContact NZ-O 3.13Å; K361-T372 PolarHBondContact NZ-OG1 3.06Å; K361-T374 PolarHBondContact NZ-OG1 3.2Å; K361-V496 HydrophobicContact CD-CG1 3.84Å; K361-I498 HydrophobicContact CB-CD1 4.16Å; K361-I498 HydrophobicContact CB-CG1 4.26Å; K361-I498 WeakPolarHBondContact CB-O 3.25Å; K361-I498 HydrophobicContact CD-CD1 3.82Å; K361-I498 HydrophobicContact CD-CG1 3.9Å; K361-A499 HydrophobicContact CB-CB 4.3Å; K361-A499 HydrophobicContact CG-CB 4.33Å
362	R	94.6	Very high	84.4	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-55.9	-39.9	173.1	177.8	178.3	48.9	72	11.6	111.8	E345 E360 W405 K416 Y435 D500 C502	E345-R362 VanDerWaalsContact CD-NH2 3.25Å; E345-R362 IonicContact OE1-NH2 3.44Å; E345-R362 PolarHBondContact OE1-NH2 3.37Å; E345-R362 VanDerWaalsContact OE1-NH2 3.11Å; E345-R362 IonicContact OE2-CZ 2.69Å; E345-R362 IonicContact OE2-NH2 3.75Å; E345-R362 PolarHBondContact OE2-NH2 3.47Å; E360-R362 VanDerWaalsContact C-N 3.29Å; E360-R362 HydrophobicContact CG-CB 4.17Å; E360-R362 PolarHBondContact O-N 3.07Å; E360-R362 WeakPolarHBondContact OE1-CB 3.42Å; E360-R362 PolarHBondContact OE1-N 3.16Å; R362-W405 PolarHBondContact O-NE1 3.15Å; R362-K416 PolarHBondContact NH1-O 2.88Å; R362-Y435 WeakPolarHBondContact CG-OH 3.41Å; R362-Y435 PolarHBondContact O-OH 3.17Å; R362-D500 IonicContact CZ-OD2 2.68Å; R362-D500 IonicContact NE-OD2 2.76Å; R362-D500 PolarHBondContact NE-OD2 2.82Å; R362-D500 IonicContact NH2-OD2 3.56Å; R362-D500 PolarHBondContact NH2-OD2 2.73Å; R362-C502 WeakPolarHBondContact CD-SG 3.27Å; R362-C502 HydrophobicContact CG-CB 4.41Å
363	L	95.9	Very high	85.5	Confident	2 Å²	2	7.6 Å²	7.6	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-89.5	-22.7	-176.3	-72.7	-171.5	0	0	0	114.1	F336 E345 E360 K361 W405 F413	F336-L363 HydrophobicContact CZ-CB 4.15Å; F336-L363 WeakPolarHBondContact CZ-O 3.26Å; E345-L363 HydrophobicContact CB-CD1 3.82Å; E345-L363 WeakPolarHBondContact OE2-CD1 3.48Å; E360-L363 HydrophobicContact CG-CB 4.35Å; E360-L363 HydrophobicContact CG-CG 4.28Å; E360-L363 PolarHBondContact O-N 3.03Å; E360-L363 VanDerWaalsContact O-N 3.08Å; K361-L363 PolarHBondContact O-N 3.4Å; L363-W405 PolarHBondContact O-NE1 2.84Å; L363-F413 HydrophobicContact CD2-CD1 4.43Å; L363-F413 HydrophobicContact CD2-CE1 4.31Å
364	F	95.7	Very high	86.7	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-125.5	-11.3	-169.7	-61.7	-66.7	0	0	0	115.2	V332 F336 A344 W359 E360 K361 N366 E367 T370 I382 L403	V332-F364 HydrophobicContact CG1-CE1 4.36Å; V332-F364 HydrophobicContact CG1-CZ 4.13Å; F336-F364 AromaticContact CE2-CE1 3.6Å; F336-F364 HydrophobicContact CE2-CE1 3.6Å; F336-F364 AromaticContact CE2-CZ 3.9Å; F336-F364 HydrophobicContact CE2-CZ 3.9Å; F336-F364 HydrophobicContact CZ-CD1 4.17Å; F336-F364 AromaticContact CZ-CE1 3.62Å; F336-F364 HydrophobicContact CZ-CE1 3.62Å; F336-F364 HydrophobicContact CZ-CZ 4.11Å; A344-F364 HydrophobicContact CB-CE2 4.31Å; A344-F364 HydrophobicContact CB-CZ 4.02Å; W359-F364 HydrophobicContact CB-CB 4.22Å; W359-F364 HydrophobicContact CB-CD2 3.6Å; W359-F364 HydrophobicContact CB-CE2 4.25Å; W359-F364 HydrophobicContact CB-CG 4.1Å; W359-F364 HydrophobicContact CG-CD2 4.18Å; E360-F364 VanDerWaalsContact O-CD2 3.28Å; E360-F364 WeakPolarHBondContact O-CD2 3.27Å; E360-F364 PolarHBondContact O-N 2.64Å; E360-F364 VanDerWaalsContact O-N 3.07Å; K361-F364 PolarHBondContact O-N 2.93Å; F364-N366 PolarHBondContact O-N 3.03Å; F364-E367 HydrophobicContact CB-CB 3.78Å; F364-E367 VanDerWaalsContact O-CB 3.31Å; F364-E367 WeakPolarHBondContact O-CB 3.18Å; F364-E367 PolarHBondContact O-N 3.44Å; F364-T370 HydrophobicContact CB-CG2 3.88Å; F364-I382 HydrophobicContact CD1-CD1 4.16Å; F364-I382 HydrophobicContact CE1-CD1 3.67Å; F364-L403 HydrophobicContact CD1-CD2 4.22Å
365	E	93	Very high	87.8	Confident	15 Å²	15	8.4 Å²	8.4	7%	0.07	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.4	-94.3	174.5	-150.8	-68.4	120.2	0	0	115.7	K361 E367 T370 T374 W405 F504	K361-E365 PolarHBondContact NZ-O 3.19Å; K361-E365 IonicContact NZ-OE1 3.41Å; K361-E365 VanDerWaalsContact O-CA 3.3Å; K361-E365 WeakPolarHBondContact O-CA 3.21Å; K361-E365 PolarHBondContact O-N 2.88Å; E365-E367 VanDerWaalsContact C-N 3.33Å; E365-T370 WeakPolarHBondContact O-CG2 3.47Å; E365-T370 PolarHBondContact O-OG1 2.95Å; E365-T374 VanDerWaalsContact OE1-CG2 3.25Å; E365-T374 WeakPolarHBondContact OE1-CG2 3.4Å; E365-T374 PolarHBondContact OE1-OG1 3.47Å; E365-W405 HydrophobicContact CB-CB 4.28Å; E365-W405 HydrophobicContact CB-CD2 3.35Å; E365-W405 HydrophobicContact CB-CE3 3.66Å; E365-W405 HydrophobicContact CB-CG 3.6Å; E365-W405 HydrophobicContact CB-CH2 4.41Å; E365-W405 HydrophobicContact CB-CZ2 4.16Å; E365-W405 HydrophobicContact CB-CZ3 4.16Å; E365-W405 HydrophobicContact CG-CD2 4.03Å; E365-W405 HydrophobicContact CG-CE3 3.82Å; E365-W405 HydrophobicContact CG-CH2 4.2Å; E365-W405 HydrophobicContact CG-CZ2 4.38Å; E365-W405 HydrophobicContact CG-CZ3 3.88Å; E365-F504 HydrophobicContact CG-CD2 3.99Å; E365-F504 HydrophobicContact CG-CE1 4.33Å; E365-F504 HydrophobicContact CG-CE2 3.43Å; E365-F504 VanDerWaalsContact CG-CE2 3.43Å; E365-F504 HydrophobicContact CG-CZ 3.62Å; E365-F504 WeakPolarHBondContact OE1-CE2 3.22Å
366	N	91.5	Very high	88.7	Confident	18 Å²	18	8.7 Å²	8.7	10%	0.096	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	9.8	-179.2	71.8	-37.6	0	0	0	114.3	F364 A368 T374 N376 P377 V378 L403	F364-N366 PolarHBondContact O-N 3.03Å; N366-A368 PolarHBondContact O-N 3.49Å; N366-T374 HydrophobicContact CB-CG2 4.02Å; N366-N376 PolarHBondContact ND2-O 2.78Å; N366-N376 VanDerWaalsContact ND2-O 3.12Å; N366-P377 CarbonylContact O-C 3.57Å; N366-P377 WeakPolarHBondContact O-CA 3.08Å; N366-V378 PolarHBondContact O-N 3.2Å; N366-L403 WeakPolarHBondContact OD1-CD1 3.47Å
367	E	95.2	Very high	89.4	Confident	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	-61.5	129.2	165.2	-145.7	-66.9	158.1	0	0	109	W359 F364 E365 M369 T370 V378 S380 T383 L403	W359-E367 VanDerWaalsContact CD1-OE2 3.25Å; F364-E367 HydrophobicContact CB-CB 3.78Å; F364-E367 VanDerWaalsContact O-CB 3.31Å; F364-E367 WeakPolarHBondContact O-CB 3.18Å; F364-E367 PolarHBondContact O-N 3.44Å; E365-E367 VanDerWaalsContact C-N 3.33Å; E367-M369 PolarHBondContact O-N 3.05Å; E367-M369 WeakPolarHBondContact OE2-CB 3.32Å; E367-M369 PolarHBondContact OE2-N 2.98Å; E367-T370 HydrophobicContact CB-CG2 4.34Å; E367-T370 WeakPolarHBondContact O-CG2 3.38Å; E367-T370 PolarHBondContact O-N 3.28Å; E367-T370 PolarHBondContact O-OG1 2.98Å; E367-T370 VanDerWaalsContact O-OG1 3.07Å; E367-V378 WeakPolarHBondContact CA-O 3.39Å; E367-S380 WeakPolarHBondContact CG-OG 3.27Å; E367-S380 WeakPolarHBondContact OE1-CB 3.19Å; E367-S380 PolarHBondContact OE1-N 2.98Å; E367-S380 PolarHBondContact OE1-OG 3.44Å; E367-T383 WeakPolarHBondContact OE1-CB 3.43Å; E367-T383 PolarHBondContact OE1-OG1 3.29Å; E367-T383 PolarHBondContact OE2-OG1 3.3Å; E367-L403 HydrophobicContact CB-CD1 4.22Å; E367-L403 HydrophobicContact CB-CD2 4.11Å; E367-L403 HydrophobicContact CG-CD2 3.92Å
368	A	94.3	Very high	89.8	Confident	9 Å²	9	7.8 Å²	7.8	7%	0.074	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.4	-166.9	0	0	0	0	0	114.5	H251 N366 P377 V378 Y379	H251-A368 PolarHBondContact ND1-O 3.07Å; N366-A368 PolarHBondContact O-N 3.49Å; A368-P377 HydrophobicContact CB-CB 4.17Å; A368-V378 WeakPolarHBondContact CB-O 3.39Å; A368-V378 PolarHBondContact N-O 2.75Å; A368-Y379 HydrophobicContact CB-CD1 3.8Å; A368-Y379 HydrophobicContact CB-CD2 3.81Å; A368-Y379 HydrophobicContact CB-CE1 3.51Å; A368-Y379 HydrophobicContact CB-CE2 3.51Å; A368-Y379 HydrophobicContact CB-CG 3.95Å
369	M	95	Very high	90	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	19.2	176.6	-64.9	-57.1	-52.9	0	0	114.1	H251 L254 F259 H358 W359 E367 T383	H251-M369 HydrophobicContact CB-SD 4.38Å; L254-M369 HydrophobicContact CB-CE 4.39Å; L254-M369 HydrophobicContact CB-SD 3.97Å; L254-M369 HydrophobicContact CD2-CE 4.29Å; L254-M369 HydrophobicContact CD2-CG 3.69Å; L254-M369 HydrophobicContact CD2-SD 3.54Å; L254-M369 VanDerWaalsContact CD2-SD 3.54Å; L254-M369 HydrophobicContact CG-SD 4.33Å; F259-M369 HydrophobicContact CB-CE 4.11Å; F259-M369 HydrophobicContact CD1-CE 4.27Å; F259-M369 HydrophobicContact CD2-CB 4.08Å; F259-M369 HydrophobicContact CD2-CE 3.97Å; F259-M369 HydrophobicContact CD2-CG 3.79Å; F259-M369 HydrophobicContact CE2-CB 3.57Å; F259-M369 HydrophobicContact CE2-CE 4.43Å; F259-M369 HydrophobicContact CE2-CG 3.77Å; F259-M369 HydrophobicContact CG-CE 3.87Å; F259-M369 HydrophobicContact CZ-CB 4.01Å; H358-M369 VanDerWaalsContact CA-O 3.32Å; H358-M369 WeakPolarHBondContact CA-O 2.88Å; H358-M369 VanDerWaalsContact CB-O 3.28Å; H358-M369 WeakPolarHBondContact CB-O 3.3Å; H358-M369 PolarHBondContact CD2-O 3.41Å; W359-M369 PolarHBondContact N-O 3.25Å; E367-M369 PolarHBondContact O-N 3.05Å; E367-M369 WeakPolarHBondContact OE2-CB 3.32Å; E367-M369 PolarHBondContact OE2-N 2.98Å; M369-T383 HydrophobicContact CG-CG2 3.71Å
370	T	92.7	Very high	90	Very high	5 Å²	5	8 Å²	8	3%	0.031	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-75.4	158.2	164.2	61.4	0	0	0	0	111.2	W359 K361 F364 E365 E367 T372	W359-T370 HydrophobicContact CB-CG2 4.27Å; K361-T370 HydrophobicContact CB-CG2 4.27Å; K361-T370 HydrophobicContact CG-CG2 4.23Å; K361-T370 PolarHBondContact NZ-OG1 3.47Å; F364-T370 HydrophobicContact CB-CG2 3.88Å; E365-T370 WeakPolarHBondContact O-CG2 3.47Å; E365-T370 PolarHBondContact O-OG1 2.95Å; E367-T370 HydrophobicContact CB-CG2 4.34Å; E367-T370 WeakPolarHBondContact O-CG2 3.38Å; E367-T370 PolarHBondContact O-N 3.28Å; E367-T370 PolarHBondContact O-OG1 2.98Å; E367-T370 VanDerWaalsContact O-OG1 3.07Å; T370-T372 VanDerWaalsContact C-N 3.25Å; T370-T372 PolarHBondContact O-N 2.81Å; T370-T372 PolarHBondContact OG1-O 3.32Å
371	G	83.8	Confident	90.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-74.1	-4.4	-169.6	0	0	0	0	0	116.3	C25	C25-G371 PolarHBondContact N-O 3.23Å
372	T	79.4	Confident	90.4	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.018	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-137.7	144.8	176.4	55	0	0	0	0	110.9	F23 K361 T370 T374 I498	F23-T372 VanDerWaalsContact O-CA 3.3Å; F23-T372 WeakPolarHBondContact O-CA 3.23Å; K361-T372 WeakPolarHBondContact CD-OG1 3.43Å; K361-T372 WeakPolarHBondContact CE-OG1 3.38Å; K361-T372 PolarHBondContact NZ-O 3.47Å; K361-T372 VanDerWaalsContact NZ-O 3.13Å; K361-T372 PolarHBondContact NZ-OG1 3.06Å; T370-T372 VanDerWaalsContact C-N 3.25Å; T370-T372 PolarHBondContact O-N 2.81Å; T370-T372 PolarHBondContact OG1-O 3.32Å; T372-T374 PolarHBondContact O-N 2.78Å; T372-I498 HydrophobicContact CG2-CD1 3.49Å; T372-I498 VanDerWaalsContact CG2-CD1 3.49Å; T372-I498 HydrophobicContact CG2-CG1 3.97Å
373	H	76.2	Confident	90.6	Very high	36 Å²	36	12.1 Å²	12.1	17%	0.167	6%	0.06	C	C	.	.			trans	-63.4	129	178.7	174.6	-90.7	0	0	0	111.9	F23 V244	F23-H373 PolarHBondContact O-N 3.02Å; V244-H373 VanDerWaalsContact CG1-NE2 3.26Å; V244-H373 WeakPolarHBondContact CG1-NE2 3.4Å; V244-H373 VanDerWaalsContact CG2-CE1 3.46Å; V244-H373 WeakPolarHBondContact CG2-CE1 3.26Å; V244-H373 WeakPolarHBondContact CG2-NE2 3.34Å
374	T	77.5	Confident	90.8	Very high	10 Å²	10	12.1 Å²	12.1	6%	0.061	6%	0.06	C	C	.	.			trans	-116.4	143.3	162.3	-56.8	0	0	0	0	108.3	K361 E365 N366 T372	K361-T374 PolarHBondContact NZ-OG1 3.2Å; E365-T374 VanDerWaalsContact OE1-CG2 3.25Å; E365-T374 WeakPolarHBondContact OE1-CG2 3.4Å; E365-T374 PolarHBondContact OE1-OG1 3.47Å; N366-T374 HydrophobicContact CB-CG2 4.02Å; T372-T374 PolarHBondContact O-N 2.78Å
375	Q	78.1	Confident	90.9	Very high	13 Å²	13	12.1 Å²	12.1	6%	0.061	6%	0.06	C	C	.	.	S	Bend	trans	-55.4	153.6	167.9	-71.5	171.9	32.5	0	0	110.5	E507 F508 S521	Q375-E507 HydrophobicContact CB-CB 4.12Å; Q375-E507 WeakPolarHBondContact CB-OE2 3.36Å; Q375-E507 HydrophobicContact CG-CB 4.39Å; Q375-E507 PolarHBondContact OE1-OE2 3.04Å; Q375-E507 VanDerWaalsContact OE1-OE2 3.05Å; Q375-F508 PolarHBondContact NE2-O 2.8Å; Q375-F508 VanDerWaalsContact NE2-O 3.1Å; Q375-S521 PolarHBondContact OE1-OG 3.24Å
376	N	82	Confident	91.2	Very high	27 Å²	27	11.4 Å²	11.4	14%	0.144	6%	0.056	C	C	.	.	S	Bend	trans	51.6	55	-174.4	-51.8	-44.8	0	0	0	114.1	N366 D457 E507	N366-N376 PolarHBondContact ND2-O 2.78Å; N366-N376 VanDerWaalsContact ND2-O 3.12Å; N376-D457 PolarHBondContact ND2-OD1 3.1Å; N376-E507 PolarHBondContact ND2-OE1 3.09Å; N376-E507 PolarHBondContact ND2-OE2 3.23Å; N376-E507 VanDerWaalsContact ND2-OE2 3.08Å
377	P	89.6	Confident	91.5	Very high	13 Å²	13	10.5 Å²	10.5	8%	0.084	5%	0.052	C	C	.	.			trans	-69.6	136.1	-177	28.9	-34.5	0	0	0	112.6	S247 N366 A368	S247-P377 WeakPolarHBondContact OG-CB 3.29Å; S247-P377 WeakPolarHBondContact OG-CG 3.48Å; N366-P377 CarbonylContact O-C 3.57Å; N366-P377 WeakPolarHBondContact O-CA 3.08Å; A368-P377 HydrophobicContact CB-CB 4.17Å
378	V	93.3	Very high	91.6	Very high	13 Å²	13	11.9 Å²	11.9	8%	0.079	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-112	122	-172.1	169.7	0	0	0	0	111.9	N366 E367 A368 S380 E401 L403	N366-V378 PolarHBondContact O-N 3.2Å; E367-V378 WeakPolarHBondContact CA-O 3.39Å; A368-V378 WeakPolarHBondContact CB-O 3.39Å; A368-V378 PolarHBondContact N-O 2.75Å; V378-S380 PolarHBondContact O-N 2.73Å; V378-E401 HydrophobicContact CG1-CB 3.74Å; V378-L403 HydrophobicContact CB-CD1 4.18Å; V378-L403 HydrophobicContact CG1-CB 3.95Å; V378-L403 HydrophobicContact CG1-CD1 4.16Å
379	Y	96.4	Very high	91.8	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.008	6%	0.056	C	C	.	.			trans	-87	89.2	168	-71.6	-84.5	0	0	0	110.7	F108 W109 S247 K250 H251 A368 T383 E401	F108-Y379 HydrophobicContact CE1-CG 4.39Å; F108-Y379 HydrophobicContact CZ-CG 4.35Å; W109-Y379 AromaticContact CH2-CD1 3.57Å; W109-Y379 HydrophobicContact CH2-CD1 3.57Å; W109-Y379 AromaticContact CH2-CE1 3.83Å; W109-Y379 HydrophobicContact CH2-CE1 3.83Å; W109-Y379 HydrophobicContact CH2-CG 4.48Å; W109-Y379 AromaticContact CZ2-CD1 3.74Å; W109-Y379 HydrophobicContact CZ2-CD1 3.74Å; W109-Y379 AromaticContact CZ2-CE1 3.5Å; W109-Y379 HydrophobicContact CZ2-CE1 3.5Å; S247-Y379 PolarHBondContact O-OH 3.07Å; K250-Y379 HydrophobicContact CB-CE1 4.32Å; K250-Y379 HydrophobicContact CB-CE2 4.03Å; K250-Y379 WeakPolarHBondContact CB-OH 3.38Å; K250-Y379 HydrophobicContact CD-CD2 4.45Å; K250-Y379 HydrophobicContact CD-CE2 3.93Å; K250-Y379 VanDerWaalsContact NZ-CD2 3.3Å; H251-Y379 PolarHBondContact N-OH 3.38Å; A368-Y379 HydrophobicContact CB-CD1 3.8Å; A368-Y379 HydrophobicContact CB-CD2 3.81Å; A368-Y379 HydrophobicContact CB-CE1 3.51Å; A368-Y379 HydrophobicContact CB-CE2 3.51Å; A368-Y379 HydrophobicContact CB-CG 3.95Å; Y379-T383 HydrophobicContact CD1-CG2 4.46Å; Y379-E401 PolarHBondContact N-OE2 2.87Å; Y379-E401 PolarHBondContact O-N 3.31Å
380	S	97.9	Very high	91.9	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.021	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-75.9	169.9	-172.3	74.6	0	0	0	0	113.2	E367 V378 I382 T383 L384	E367-S380 WeakPolarHBondContact CG-OG 3.27Å; E367-S380 WeakPolarHBondContact OE1-CB 3.19Å; E367-S380 PolarHBondContact OE1-N 2.98Å; E367-S380 PolarHBondContact OE1-OG 3.44Å; V378-S380 PolarHBondContact O-N 2.73Å; S380-I382 PolarHBondContact O-N 2.99Å; S380-I382 WeakPolarHBondContact OG-CB 2.97Å; S380-I382 PolarHBondContact OG-N 3.22Å; S380-I382 VanDerWaalsContact OG-N 3.14Å; S380-T383 PolarHBondContact O-N 2.74Å; S380-T383 PolarHBondContact OG-N 3.2Å; S380-L384 PolarHBondContact O-N 2.94Å
381	R	98.6	Very high	92.1	Very high	81 Å²	81	12.2 Å²	12.2	31%	0.306	6%	0.062	S	C	.	.	H	α-helix	trans	-58.8	-24.6	168.8	-62.1	179.1	64	92.7	7.2	112.5	E331 A385 Y397 A400	E331-R381 HydrophobicContact CG-CB 4.3Å; E331-R381 IonicContact OE1-NH2 2.71Å; E331-R381 IonicContact OE2-CZ 3.99Å; E331-R381 IonicContact OE2-NE 3.86Å; E331-R381 PolarHBondContact OE2-NE 3.23Å; E331-R381 IonicContact OE2-NH2 3.24Å; E331-R381 PolarHBondContact OE2-NH2 2.65Å; R381-A385 VanDerWaalsContact O-CB 3.27Å; R381-A385 WeakPolarHBondContact O-CB 3.41Å; R381-A385 PolarHBondContact O-N 3.32Å; R381-Y397 HydrophobicContact CB-CD1 3.98Å; R381-Y397 HydrophobicContact CB-CE1 4.22Å; R381-Y397 HydrophobicContact CG-CD1 4.11Å; R381-Y397 WeakPolarHBondContact O-CE1 3.33Å; R381-A400 HydrophobicContact CB-CB 4.38Å; R381-A400 HydrophobicContact CG-CB 3.47Å; R381-A400 VanDerWaalsContact CG-CB 3.47Å
382	I	98.6	Very high	92.7	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-70.9	-46.5	-177.6	-57.9	163.8	0	0	0	109.7	E331 V332 H335 A344 W359 F364 S380 A385 L386	E331-I382 HydrophobicContact CB-CG1 4.12Å; V332-I382 HydrophobicContact CG1-CD1 4.06Å; V332-I382 HydrophobicContact CG1-CG1 4.11Å; V332-I382 HydrophobicContact CG1-CG2 3.71Å; H335-I382 HydrophobicContact CB-CD1 4.08Å; A344-I382 HydrophobicContact CB-CG2 4.44Å; W359-I382 HydrophobicContact CH2-CG2 4.43Å; W359-I382 HydrophobicContact CZ2-CG2 3.86Å; F364-I382 HydrophobicContact CD1-CD1 4.16Å; F364-I382 HydrophobicContact CE1-CD1 3.67Å; S380-I382 PolarHBondContact O-N 2.99Å; S380-I382 WeakPolarHBondContact OG-CB 2.97Å; S380-I382 PolarHBondContact OG-N 3.22Å; S380-I382 VanDerWaalsContact OG-N 3.14Å; I382-A385 WeakPolarHBondContact O-CB 3.09Å; I382-A385 PolarHBondContact O-N 3.25Å; I382-A385 VanDerWaalsContact O-N 3.14Å; I382-L386 PolarHBondContact O-N 2.95Å
383	T	98.5	Very high	93.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.9	-43.3	175	-73.7	0	0	0	0	112.3	L254 F259 W359 E367 M369 Y379 S380 A385 L386 M387	L254-T383 HydrophobicContact CD2-CG2 3.29Å; F259-T383 HydrophobicContact CD2-CG2 4.44Å; W359-T383 PolarHBondContact NE1-OG1 3.39Å; E367-T383 WeakPolarHBondContact OE1-CB 3.43Å; E367-T383 PolarHBondContact OE1-OG1 3.29Å; E367-T383 PolarHBondContact OE2-OG1 3.3Å; M369-T383 HydrophobicContact CG-CG2 3.71Å; Y379-T383 HydrophobicContact CD1-CG2 4.46Å; S380-T383 PolarHBondContact O-N 2.74Å; S380-T383 PolarHBondContact OG-N 3.2Å; T383-A385 VanDerWaalsContact C-N 3.27Å; T383-A385 PolarHBondContact O-N 2.81Å; T383-L386 PolarHBondContact O-N 2.96Å; T383-M387 PolarHBondContact O-N 2.88Å; T383-M387 VanDerWaalsContact O-N 3.13Å
384	L	98.7	Very high	94.5	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-62.3	-35.2	173.3	-67.9	-173.7	0	0	0	112.7	W109 A112 S380 M387 E388 A395 N396 Y397 V399 A400	W109-L384 HydrophobicContact CZ3-CD2 4Å; A112-L384 HydrophobicContact CB-CD2 4.25Å; S380-L384 PolarHBondContact O-N 2.94Å; L384-M387 PolarHBondContact O-N 3.23Å; L384-E388 PolarHBondContact O-N 3.3Å; L384-A395 HydrophobicContact CB-CB 4Å; L384-A395 WeakPolarHBondContact O-CB 3.32Å; L384-N396 WeakPolarHBondContact CD1-O 3.39Å; L384-Y397 HydrophobicContact CB-CD1 4.22Å; L384-Y397 HydrophobicContact CB-CE1 4.08Å; L384-Y397 HydrophobicContact CD1-CD1 4.4Å; L384-V399 HydrophobicContact CD1-CG2 4.42Å; L384-A400 HydrophobicContact CD1-CB 3.76Å
385	A	98.7	Very high	95.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66	-38.8	176.1	0	0	0	0	0	112.7	R327 V328 E331 R381 I382 T383 M387 E388 D389 Y397	R327-A385 HydrophobicContact CB-CB 3.79Å; V328-A385 HydrophobicContact CG2-CB 4.28Å; E331-A385 HydrophobicContact CB-CB 4.37Å; E331-A385 HydrophobicContact CG-CB 3.76Å; R381-A385 VanDerWaalsContact O-CB 3.27Å; R381-A385 WeakPolarHBondContact O-CB 3.41Å; R381-A385 PolarHBondContact O-N 3.32Å; I382-A385 WeakPolarHBondContact O-CB 3.09Å; I382-A385 PolarHBondContact O-N 3.25Å; I382-A385 VanDerWaalsContact O-N 3.14Å; T383-A385 VanDerWaalsContact C-N 3.27Å; T383-A385 PolarHBondContact O-N 2.81Å; A385-M387 VanDerWaalsContact C-N 3.34Å; A385-E388 PolarHBondContact O-N 3.01Å; A385-D389 WeakPolarHBondContact O-CB 3.43Å; A385-D389 PolarHBondContact O-N 3.14Å; A385-Y397 VanDerWaalsContact CA-OH 3.29Å; A385-Y397 WeakPolarHBondContact CA-OH 3.28Å; A385-Y397 HydrophobicContact CB-CE1 4.28Å; A385-Y397 WeakPolarHBondContact CB-OH 3.04Å
386	L	98.5	Very high	96.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-47.4	172	-179.6	150.7	0	0	0	110.3	F259 F264 F267 M323 V328 W359 I382 T383 E388 D389 T390	F259-L386 HydrophobicContact CB-CD2 3.85Å; F259-L386 HydrophobicContact CD1-CD1 4.02Å; F259-L386 HydrophobicContact CD1-CD2 4.42Å; F259-L386 HydrophobicContact CD2-CD1 3.84Å; F259-L386 HydrophobicContact CD2-CD2 3.75Å; F259-L386 HydrophobicContact CD2-CG 4.28Å; F259-L386 HydrophobicContact CE1-CD1 3.88Å; F259-L386 HydrophobicContact CE2-CD1 3.72Å; F259-L386 HydrophobicContact CE2-CD2 4.43Å; F259-L386 HydrophobicContact CE2-CG 4.49Å; F259-L386 HydrophobicContact CG-CD1 4.01Å; F259-L386 HydrophobicContact CG-CD2 3.75Å; F259-L386 HydrophobicContact CZ-CD1 3.74Å; F264-L386 HydrophobicContact CE1-CD1 4.3Å; F267-L386 HydrophobicContact CE2-CG 4.4Å; F267-L386 HydrophobicContact CZ-CD2 4.11Å; F267-L386 HydrophobicContact CZ-CG 4.38Å; M323-L386 HydrophobicContact CG-CD1 4.44Å; M323-L386 HydrophobicContact SD-CD1 3.74Å; M323-L386 HydrophobicContact SD-CG 4.25Å; V328-L386 VanDerWaalsContact CG2-CA 3.49Å; V328-L386 HydrophobicContact CG2-CB 3.79Å; W359-L386 HydrophobicContact CH2-CB 4.1Å; W359-L386 HydrophobicContact CH2-CD1 3.38Å; W359-L386 HydrophobicContact CH2-CG 4.35Å; W359-L386 HydrophobicContact CZ2-CB 3.89Å; W359-L386 HydrophobicContact CZ2-CD1 3.66Å; W359-L386 HydrophobicContact CZ2-CG 4.43Å; W359-L386 HydrophobicContact CZ3-CD1 4.2Å; I382-L386 PolarHBondContact O-N 2.95Å; T383-L386 PolarHBondContact O-N 2.96Å; L386-E388 VanDerWaalsContact C-N 3.3Å; L386-E388 PolarHBondContact O-N 3.28Å; L386-D389 CarbonylContact O-C 3.45Å; L386-D389 PolarHBondContact O-N 3.17Å; L386-T390 PolarHBondContact O-N 2.78Å
387	M	98.4	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-36.2	179.6	-65.8	-51.8	-62.8	0	0	112.8	L113 L254 L257 F259 T383 L384 A385 T390 Y393	L113-M387 HydrophobicContact CD1-CE 4.08Å; L113-M387 HydrophobicContact CD2-CB 3.83Å; L254-M387 HydrophobicContact CD1-CE 3.8Å; L254-M387 HydrophobicContact CD1-CG 3.61Å; L254-M387 HydrophobicContact CD1-SD 3.51Å; L254-M387 VanDerWaalsContact CD1-SD 3.51Å; L254-M387 HydrophobicContact CD2-CG 4.3Å; L254-M387 HydrophobicContact CD2-SD 4.27Å; L254-M387 HydrophobicContact CG-CE 4.49Å; L254-M387 HydrophobicContact CG-CG 4.22Å; L254-M387 HydrophobicContact CG-SD 3.76Å; L257-M387 HydrophobicContact CB-CE 3.77Å; F259-M387 HydrophobicContact CB-SD 4.21Å; T383-M387 PolarHBondContact O-N 2.88Å; T383-M387 VanDerWaalsContact O-N 3.13Å; L384-M387 PolarHBondContact O-N 3.23Å; A385-M387 VanDerWaalsContact C-N 3.34Å; M387-T390 WeakPolarHBondContact O-CB 3.39Å; M387-T390 WeakPolarHBondContact O-CG2 3.39Å; M387-T390 PolarHBondContact O-OG1 3.17Å; M387-Y393 HydrophobicContact CE-CD2 3.74Å; M387-Y393 HydrophobicContact CE-CE2 3.57Å
388	E	98.1	Very high	97.6	Very high	28 Å²	28	23.6 Å²	23.6	13%	0.131	13%	0.125	C	C	.	.	H	α-helix	trans	-71.4	-36.2	172.5	-169.8	168.8	153	0	0	112.6	R327 L384 A385 L386 T390 G391 A395 Y397	R327-E388 IonicContact CZ-OE1 3.88Å; R327-E388 VanDerWaalsContact CZ-OE1 3.24Å; R327-E388 IonicContact NE-OE1 3.52Å; R327-E388 PolarHBondContact NE-OE1 3.26Å; R327-E388 IonicContact NE-OE2 2.68Å; R327-E388 IonicContact NH2-OE1 3.78Å; R327-E388 PolarHBondContact NH2-OE1 3.49Å; L384-E388 PolarHBondContact O-N 3.3Å; A385-E388 PolarHBondContact O-N 3.01Å; L386-E388 VanDerWaalsContact C-N 3.3Å; L386-E388 PolarHBondContact O-N 3.28Å; E388-T390 PolarHBondContact O-N 3.01Å; E388-G391 PolarHBondContact O-N 3.31Å; E388-G391 VanDerWaalsContact O-N 3.09Å; E388-A395 HydrophobicContact CB-CB 3.98Å; E388-A395 PolarHBondContact OE2-N 2.78Å; E388-Y397 WeakPolarHBondContact OE2-CE2 3.11Å
389	D	98.2	Very high	97.7	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-72.7	-8.6	177.3	-78.7	-15.5	0	0	0	114	T325 E326 R327 V328 A385 L386 G391	T325-D389 WeakPolarHBondContact CB-OD2 3.36Å; T325-D389 HydrophobicContact CG2-CB 4.26Å; T325-D389 WeakPolarHBondContact OG1-CB 3.12Å; T325-D389 PolarHBondContact OG1-OD2 3.47Å; E326-D389 PolarHBondContact N-OD2 2.76Å; R327-D389 WeakPolarHBondContact CA-OD2 3.14Å; R327-D389 VanDerWaalsContact CB-OD1 3.31Å; R327-D389 WeakPolarHBondContact CB-OD1 3.28Å; R327-D389 WeakPolarHBondContact CB-OD2 3.46Å; R327-D389 VanDerWaalsContact CD-OD1 3.26Å; R327-D389 WeakPolarHBondContact CD-OD1 3.4Å; R327-D389 WeakPolarHBondContact CG-OD1 3.28Å; R327-D389 IonicContact CZ-OD1 3.31Å; R327-D389 PolarHBondContact N-OD1 2.79Å; R327-D389 PolarHBondContact N-OD2 2.95Å; R327-D389 IonicContact NE-OD1 3.97Å; R327-D389 IonicContact NH1-OD1 2.72Å; R327-D389 PolarHBondContact NH1-OD1 3.43Å; V328-D389 PolarHBondContact N-OD2 2.88Å; A385-D389 WeakPolarHBondContact O-CB 3.43Å; A385-D389 PolarHBondContact O-N 3.14Å; L386-D389 CarbonylContact O-C 3.45Å; L386-D389 PolarHBondContact O-N 3.17Å; D389-G391 PolarHBondContact O-N 2.99Å
390	T	97.6	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.9	163.1	66	0	0	0	0	111.6	F267 R268 L386 M387 E388 W392	F267-T390 WeakPolarHBondContact CA-O 3.38Å; F267-T390 HydrophobicContact CD1-CG2 4.25Å; F267-T390 HydrophobicContact CE1-CG2 3.69Å; F267-T390 HydrophobicContact CZ-CG2 3.83Å; R268-T390 PolarHBondContact N-O 3.07Å; L386-T390 PolarHBondContact O-N 2.78Å; M387-T390 WeakPolarHBondContact O-CB 3.39Å; M387-T390 WeakPolarHBondContact O-CG2 3.39Å; M387-T390 PolarHBondContact O-OG1 3.17Å; E388-T390 PolarHBondContact O-N 3.01Å; T390-W392 HydrophobicContact CG2-CE3 3.92Å; T390-W392 HydrophobicContact CG2-CZ3 4.15Å; T390-W392 PolarHBondContact O-N 2.03Å; T390-W392 WeakPolarHBondContact OG1-CB 3.41Å; T390-W392 PolarHBondContact OG1-N 2.86Å
391	G	96.1	Very high	97.6	Very high	15 Å²	15	30 Å²	30	16%	0.155	16%	0.161	C	C	.	.	S	Bend	trans	77.1	0.7	-171.2	0	0	0	0	0	113.7	R268 E388 D389	R268-G391 WeakPolarHBondContact O-CA 3.15Å; E388-G391 PolarHBondContact O-N 3.31Å; E388-G391 VanDerWaalsContact O-N 3.09Å; D389-G391 PolarHBondContact O-N 2.99Å
392	W	95.4	Very high	97.4	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.027	17%	0.17	C	C	.	.	S	Bend	trans	-93.4	-35.6	179.2	-59.5	-30.3	0	0	0	112.9	F220 N221 R222 P223 L263 F267 T390	F220-W392 PolarHBondContact O-NE1 3.05Å; N221-W392 WeakPolarHBondContact O-CZ2 3.37Å; R222-W392 HydrophobicContact CB-CB 4.27Å; R222-W392 HydrophobicContact CB-CD2 3.94Å; R222-W392 HydrophobicContact CB-CG 3.7Å; R222-W392 HydrophobicContact CG-CB 3.76Å; R222-W392 HydrophobicContact CG-CD2 3.9Å; R222-W392 HydrophobicContact CG-CE3 4.27Å; R222-W392 HydrophobicContact CG-CG 3.65Å; P223-W392 HydrophobicContact CG-CE3 4.41Å; P223-W392 HydrophobicContact CG-CH2 4.17Å; P223-W392 HydrophobicContact CG-CZ3 3.81Å; L263-W392 HydrophobicContact CB-CH2 4.17Å; L263-W392 HydrophobicContact CD1-CZ3 4.44Å; L263-W392 HydrophobicContact CD2-CH2 4.1Å; F267-W392 HydrophobicContact CD1-CH2 4.46Å; T390-W392 HydrophobicContact CG2-CE3 3.92Å; T390-W392 HydrophobicContact CG2-CZ3 4.15Å; T390-W392 PolarHBondContact O-N 2.03Å; T390-W392 WeakPolarHBondContact OG1-CB 3.41Å; T390-W392 PolarHBondContact OG1-N 2.86Å
393	Y	97	Very high	97.2	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	159	-173.8	-49.9	-70.5	0	0	0	111.6	L77 L113 S114 V115 L257 M387	L77-Y393 HydrophobicContact CD1-CE1 4.15Å; L77-Y393 HydrophobicContact CD2-CE1 4.16Å; L113-Y393 HydrophobicContact CB-CD1 4.38Å; L113-Y393 HydrophobicContact CB-CG 4.49Å; L113-Y393 HydrophobicContact CD1-CD2 4.44Å; L113-Y393 HydrophobicContact CD1-CG 4.29Å; S114-Y393 CarbonylContact O-C 3.56Å; S114-Y393 WeakPolarHBondContact O-CA 3.38Å; V115-Y393 HydrophobicContact CB-CD1 4.14Å; V115-Y393 HydrophobicContact CB-CE1 4.44Å; V115-Y393 HydrophobicContact CG2-CD1 4.06Å; V115-Y393 HydrophobicContact CG2-CE1 4.08Å; L257-Y393 WeakPolarHBondContact O-CE2 3.35Å; L257-Y393 PolarHBondContact O-OH 2.73Å; M387-Y393 HydrophobicContact CE-CD2 3.74Å; M387-Y393 HydrophobicContact CE-CE2 3.57Å
394	K	96.7	Very high	96.9	Very high	116 Å²	116	33.3 Å²	33.3	50%	0.504	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.3	160.7	-178.1	177	-178.7	-178.1	0	107.4	F74 S114	F74-K394 HydrophobicContact CB-CB 4.4Å; F74-K394 HydrophobicContact CD1-CB 3.7Å; F74-K394 HydrophobicContact CE1-CB 4.05Å; F74-K394 HydrophobicContact CG-CB 4Å; S114-K394 PolarHBondContact N-O 3.12Å; S114-K394 PolarHBondContact O-N 3.28Å
395	A	97.9	Very high	96.6	Very high	9 Å²	9	34.1 Å²	34.1	7%	0.074	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.7	-177.7	0	0	0	0	0	111.9	L113 L384 E388 Y397	L113-A395 HydrophobicContact CD2-CB 4.31Å; L384-A395 HydrophobicContact CB-CB 4Å; L384-A395 WeakPolarHBondContact O-CB 3.32Å; E388-A395 HydrophobicContact CB-CB 3.98Å; E388-A395 PolarHBondContact OE2-N 2.78Å; A395-Y397 HydrophobicContact CB-CD2 4.45Å; A395-Y397 HydrophobicContact CB-CE2 4.15Å
396	N	98.3	Very high	96.4	Very high	55 Å²	55	34.2 Å²	34.2	29%	0.294	18%	0.184	S	C	.	.			trans	-93.3	93.8	169.2	179.3	10.1	0	0	0	108.9	T111 A112 L384 S398 V399	T111-N396 PolarHBondContact O-ND2 3.37Å; A112-N396 WeakPolarHBondContact O-CB 3.01Å; A112-N396 PolarHBondContact O-N 2.93Å; L384-N396 WeakPolarHBondContact CD1-O 3.39Å; N396-S398 PolarHBondContact O-N 3.31Å; N396-S398 VanDerWaalsContact O-N 3.11Å; N396-S398 WeakPolarHBondContact OD1-CB 3.45Å; N396-S398 PolarHBondContact OD1-N 3.08Å; N396-V399 VanDerWaalsContact O-CG2 3.31Å; N396-V399 WeakPolarHBondContact O-CG2 3.09Å; N396-V399 PolarHBondContact O-N 3.09Å
397	Y	98	Very high	96.3	Very high	37 Å²	37	38.6 Å²	38.6	15%	0.145	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-68.4	-6.8	-179.4	-70.1	-87.2	0	0	0	114.7	R330 E331 R381 L384 A385 E388 A395 V399 A400	R330-Y397 PolarHBondContact NH2-OH 3.07Å; E331-Y397 HydrophobicContact CG-CE1 4.26Å; R381-Y397 HydrophobicContact CB-CD1 3.98Å; R381-Y397 HydrophobicContact CB-CE1 4.22Å; R381-Y397 HydrophobicContact CG-CD1 4.11Å; R381-Y397 WeakPolarHBondContact O-CE1 3.33Å; L384-Y397 HydrophobicContact CB-CD1 4.22Å; L384-Y397 HydrophobicContact CB-CE1 4.08Å; L384-Y397 HydrophobicContact CD1-CD1 4.4Å; A385-Y397 VanDerWaalsContact CA-OH 3.29Å; A385-Y397 WeakPolarHBondContact CA-OH 3.28Å; A385-Y397 HydrophobicContact CB-CE1 4.28Å; A385-Y397 WeakPolarHBondContact CB-OH 3.04Å; E388-Y397 WeakPolarHBondContact OE2-CE2 3.11Å; A395-Y397 HydrophobicContact CB-CD2 4.45Å; A395-Y397 HydrophobicContact CB-CE2 4.15Å; Y397-V399 VanDerWaalsContact C-N 3.28Å; Y397-A400 VanDerWaalsContact O-CB 3.29Å; Y397-A400 WeakPolarHBondContact O-CB 3.46Å; Y397-A400 PolarHBondContact O-N 3.18Å
398	S	97.5	Very high	96.2	Very high	113 Å²	113	43 Å²	43	79%	0.79	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-73.6	-18.3	176.8	-61.8	0	0	0	0	113.3	N396	N396-S398 PolarHBondContact O-N 3.31Å; N396-S398 VanDerWaalsContact O-N 3.11Å; N396-S398 WeakPolarHBondContact OD1-CB 3.45Å; N396-S398 PolarHBondContact OD1-N 3.08Å
399	V	96.7	Very high	96.1	Very high	44 Å²	44	44.3 Å²	44.3	27%	0.267	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-92.7	1.8	173.3	-55.4	0	0	0	0	112.9	T111 A112 L384 N396 Y397	T111-V399 HydrophobicContact CG2-CG1 4.14Å; A112-V399 HydrophobicContact CB-CG2 3.71Å; L384-V399 HydrophobicContact CD1-CG2 4.42Å; N396-V399 VanDerWaalsContact O-CG2 3.31Å; N396-V399 WeakPolarHBondContact O-CG2 3.09Å; N396-V399 PolarHBondContact O-N 3.09Å; Y397-V399 VanDerWaalsContact C-N 3.28Å
400	A	97.1	Very high	96.1	Very high	26 Å²	26	44.8 Å²	44.8	22%	0.215	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.4	136.6	180	0	0	0	0	0	110.6	R381 L384 Y397	R381-A400 HydrophobicContact CB-CB 4.38Å; R381-A400 HydrophobicContact CG-CB 3.47Å; R381-A400 VanDerWaalsContact CG-CB 3.47Å; L384-A400 HydrophobicContact CD1-CB 3.76Å; Y397-A400 VanDerWaalsContact O-CB 3.29Å; Y397-A400 WeakPolarHBondContact O-CB 3.46Å; Y397-A400 PolarHBondContact O-N 3.18Å
401	E	94.8	Very high	96	Very high	83 Å²	83	46.6 Å²	46.6	39%	0.388	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-86.5	154.7	175.2	-67.3	168.5	122.6	0	0	110	V378 Y379	V378-E401 HydrophobicContact CG1-CB 3.74Å; Y379-E401 PolarHBondContact N-OE2 2.87Å; Y379-E401 PolarHBondContact O-N 3.31Å
402	H	93.7	Very high	96	Very high	105 Å²	105	49.9 Å²	49.9	49%	0.486	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-80	126.6	175.5	-175.4	62	0	0	0	109.4	D404 F407	H402-D404 IonicContact CD2-OD1 2.81Å; H402-D404 PolarHBondContact CD2-OD1 3.23Å; H402-D404 IonicContact NE2-OD1 2.96Å; H402-D404 PolarHBondContact NE2-OD1 2.68Å; H402-F407 AromaticContact CE1-CD2 3.84Å; H402-F407 AromaticContact CE1-CE2 3.94Å; H402-F407 AromaticContact CE1-CG 3.93Å
403	L	94.7	Very high	96	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-95.6	118.2	171.6	-179	66.4	0	0	0	107.5	H335 F364 N366 E367 V378 W405	H335-L403 PolarHBondContact CE1-O 2.86Å; F364-L403 HydrophobicContact CD1-CD2 4.22Å; N366-L403 WeakPolarHBondContact OD1-CD1 3.47Å; E367-L403 HydrophobicContact CB-CD1 4.22Å; E367-L403 HydrophobicContact CB-CD2 4.11Å; E367-L403 HydrophobicContact CG-CD2 3.92Å; V378-L403 HydrophobicContact CB-CD1 4.18Å; V378-L403 HydrophobicContact CG1-CB 3.95Å; V378-L403 HydrophobicContact CG1-CD1 4.16Å; L403-W405 HydrophobicContact CD1-CB 4.26Å; L403-W405 HydrophobicContact CG-CB 4.48Å
404	D	91.8	Very high	96	Very high	44 Å²	44	49.5 Å²	49.5	24%	0.235	27%	0.267	C	S	.	.			trans	-82.6	-33.5	176.9	-64.8	-69.7	0	0	0	111.9	H402 G406 F407 N455	H402-D404 IonicContact CD2-OD1 2.81Å; H402-D404 PolarHBondContact CD2-OD1 3.23Å; H402-D404 IonicContact NE2-OD1 2.96Å; H402-D404 PolarHBondContact NE2-OD1 2.68Å; D404-G406 PolarHBondContact O-N 2.72Å; D404-F407 VanDerWaalsContact O-CB 3.31Å; D404-F407 WeakPolarHBondContact O-CB 3.28Å; D404-F407 PolarHBondContact O-N 3.26Å; D404-N455 VanDerWaalsContact OD2-CG 3.25Å; D404-N455 PolarHBondContact OD2-ND2 3.37Å; D404-N455 PolarHBondContact OD2-OD1 3.07Å; D404-N455 VanDerWaalsContact OD2-OD1 3.05Å
405	W	93.6	Very high	95.9	Very high	20 Å²	20	45.9 Å²	45.9	8%	0.076	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	123.2	-178.5	-177.4	-86.3	0	0	0	111.3	H335 R362 L363 E365 L403 F407 F413 P434 Y435 F504	H335-W405 PolarHBondContact CE1-O 2.77Å; H335-W405 PolarHBondContact NE2-O 3.19Å; R362-W405 PolarHBondContact O-NE1 3.15Å; L363-W405 PolarHBondContact O-NE1 2.84Å; E365-W405 HydrophobicContact CB-CB 4.28Å; E365-W405 HydrophobicContact CB-CD2 3.35Å; E365-W405 HydrophobicContact CB-CE3 3.66Å; E365-W405 HydrophobicContact CB-CG 3.6Å; E365-W405 HydrophobicContact CB-CH2 4.41Å; E365-W405 HydrophobicContact CB-CZ2 4.16Å; E365-W405 HydrophobicContact CB-CZ3 4.16Å; E365-W405 HydrophobicContact CG-CD2 4.03Å; E365-W405 HydrophobicContact CG-CE3 3.82Å; E365-W405 HydrophobicContact CG-CH2 4.2Å; E365-W405 HydrophobicContact CG-CZ2 4.38Å; E365-W405 HydrophobicContact CG-CZ3 3.88Å; L403-W405 HydrophobicContact CD1-CB 4.26Å; L403-W405 HydrophobicContact CG-CB 4.48Å; W405-F407 PolarHBondContact O-N 3.13Å; W405-F413 HydrophobicContact CZ2-CZ 4.2Å; W405-F413 AromaticContact NE1-CZ 3.77Å; W405-P434 HydrophobicContact CD2-CB 4.5Å; W405-P434 HydrophobicContact CD2-CG 4.19Å; W405-P434 HydrophobicContact CE3-CB 3.78Å; W405-P434 HydrophobicContact CE3-CG 3.95Å; W405-P434 HydrophobicContact CH2-CB 3.8Å; W405-P434 HydrophobicContact CH2-CG 3.68Å; W405-P434 HydrophobicContact CZ2-CG 3.94Å; W405-P434 HydrophobicContact CZ3-CB 3.41Å; W405-P434 VanDerWaalsContact CZ3-CB 3.41Å; W405-P434 HydrophobicContact CZ3-CG 3.72Å; W405-Y435 HydrophobicContact CH2-CD1 4.43Å; W405-Y435 HydrophobicContact CH2-CE1 4.21Å; W405-Y435 AromaticContact CZ2-CE1 3.97Å; W405-Y435 HydrophobicContact CZ2-CE1 3.97Å; W405-F504 HydrophobicContact CH2-CB 3.5Å; W405-F504 HydrophobicContact CH2-CD1 4.18Å; W405-F504 HydrophobicContact CH2-CD2 4.12Å; W405-F504 AromaticContact CH2-CG 3.71Å; W405-F504 HydrophobicContact CH2-CG 3.71Å; W405-F504 HydrophobicContact CZ3-CB 3.96Å; W405-F504 HydrophobicContact CZ3-CD2 4.06Å; W405-F504 HydrophobicContact CZ3-CG 4.1Å
406	G	95	Very high	95.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.01	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-4.3	-179	0	0	0	0	0	115.4	F336 D404 N408 L409	F336-G406 WeakPolarHBondContact CD1-O 3.18Å; D404-G406 PolarHBondContact O-N 2.72Å; G406-N408 PolarHBondContact O-N 3.42Å; G406-L409 PolarHBondContact O-N 2.94Å
407	F	96	Very high	95.4	Very high	93 Å²	93	45.1 Å²	45.1	41%	0.408	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	123.9	-175.4	-176.9	-105.2	0	0	0	111.2	H335 H402 D404 W405 L409	H335-F407 AromaticContact ND1-CD2 3.88Å; H335-F407 WeakPolarHBondContact O-CA 3.48Å; H335-F407 WeakPolarHBondContact O-CD2 3.41Å; H402-F407 AromaticContact CE1-CD2 3.84Å; H402-F407 AromaticContact CE1-CE2 3.94Å; H402-F407 AromaticContact CE1-CG 3.93Å; D404-F407 VanDerWaalsContact O-CB 3.31Å; D404-F407 WeakPolarHBondContact O-CB 3.28Å; D404-F407 PolarHBondContact O-N 3.26Å; W405-F407 PolarHBondContact O-N 3.13Å; F407-L409 PolarHBondContact O-N 2.8Å; F407-L409 VanDerWaalsContact O-N 3.12Å
408	N	96.6	Very high	95.2	Very high	93 Å²	93	43.4 Å²	43.4	50%	0.497	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	23.9	177.9	-160.4	31.2	0	0	0	115.1	H335 N337 G406 G410	H335-N408 PolarHBondContact O-N 3.49Å; N337-N408 WeakPolarHBondContact CB-OD1 3.41Å; N337-N408 PolarHBondContact ND2-OD1 3.39Å; G406-N408 PolarHBondContact O-N 3.42Å; N408-G410 VanDerWaalsContact C-N 3.34Å
409	L	95.9	Very high	95	Very high	54 Å²	54	38 Å²	38	28%	0.283	20%	0.201	S	C	.	.			trans	-85.8	-1.9	179.2	-61.8	-171	0	0	0	114.3	G406 F407 F413 W421 P434	G406-L409 PolarHBondContact O-N 2.94Å; F407-L409 PolarHBondContact O-N 2.8Å; F407-L409 VanDerWaalsContact O-N 3.12Å; L409-F413 HydrophobicContact CB-CB 3.59Å; L409-F413 HydrophobicContact CB-CD1 4.19Å; L409-F413 HydrophobicContact CB-CD2 4.12Å; L409-F413 HydrophobicContact CB-CG 3.7Å; L409-F413 HydrophobicContact CD1-CD1 4.25Å; L409-F413 HydrophobicContact CD1-CD2 3.54Å; L409-F413 HydrophobicContact CD1-CE1 4.34Å; L409-F413 HydrophobicContact CD1-CE2 3.64Å; L409-F413 HydrophobicContact CD1-CG 3.87Å; L409-F413 HydrophobicContact CD1-CZ 4.05Å; L409-F413 HydrophobicContact CG-CD2 4.49Å; L409-F413 HydrophobicContact CG-CG 4.44Å; L409-W421 HydrophobicContact CB-CH2 3.99Å; L409-W421 HydrophobicContact CB-CZ3 4.48Å; L409-W421 HydrophobicContact CD1-CH2 4.26Å; L409-W421 HydrophobicContact CD1-CZ2 4.25Å; L409-W421 HydrophobicContact CD2-CH2 4.29Å; L409-W421 HydrophobicContact CG-CH2 4.41Å; L409-P434 HydrophobicContact CD1-CG 4.39Å
410	G	97.2	Very high	94.9	Very high	18 Å²	18	37.1 Å²	37.1	19%	0.186	19%	0.193	C	C	.	.	H	α-helix	trans	80.2	-177.7	171.6	0	0	0	0	0	114.9	F336 N408 D412 F413 A414	F336-G410 WeakPolarHBondContact O-CA 3.25Å; F336-G410 PolarHBondContact O-N 2.86Å; N408-G410 VanDerWaalsContact C-N 3.34Å; G410-D412 VanDerWaalsContact C-N 3.34Å; G410-D412 PolarHBondContact O-N 2.73Å; G410-F413 PolarHBondContact O-N 2.9Å; G410-A414 PolarHBondContact O-N 3.45Å
411	C	96.8	Very high	94.8	Very high	37 Å²	37	38.4 Å²	38.4	25%	0.25	19%	0.193	C	C	.	.	H	α-helix	trans	-67.8	-31.5	-176.2	-64.1	0	0	0	0	113.6	C338 F413 A414 M415	C338-C411 WeakPolarHBondContact CA-SG 3.49Å; C338-C411 HydrophobicContact CB-CB 3.95Å; C338-C411 WeakPolarHBondContact CB-SG 3.3Å; C338-C411 WeakPolarHBondContact SG-CA 3.4Å; C338-C411 WeakPolarHBondContact SG-CB 3.16Å; C338-C411 CovalentContact SG-SG 2.04Å; C338-C411 PolarHBondContact SG-SG 3.12Å; C411-F413 VanDerWaalsContact C-N 3.3Å; C411-F413 PolarHBondContact O-N 3.13Å; C411-A414 PolarHBondContact O-N 2.79Å; C411-M415 HydrophobicContact CB-SD 4.09Å; C411-M415 VanDerWaalsContact O-CB 3.29Å; C411-M415 WeakPolarHBondContact O-CB 3.36Å; C411-M415 PolarHBondContact O-N 2.8Å
412	D	94.8	Very high	94.8	Very high	85 Å²	85	34.6 Å²	34.6	46%	0.455	18%	0.175	S	C	.	.	H	α-helix	trans	-62.2	-40.1	178	-78.2	-34.3	0	0	0	111.1	G410 K416	G410-D412 VanDerWaalsContact C-N 3.34Å; G410-D412 PolarHBondContact O-N 2.73Å; D412-K416 HydrophobicContact CB-CD 4.22Å; D412-K416 VanDerWaalsContact O-CB 3.25Å; D412-K416 WeakPolarHBondContact O-CB 3.26Å; D412-K416 PolarHBondContact O-N 2.89Å; D412-K416 WeakPolarHBondContact OD1-CD 3.26Å; D412-K416 WeakPolarHBondContact OD1-CE 3.46Å; D412-K416 IonicContact OD1-NZ 2.82Å; D412-K416 PolarHBondContact OD1-NZ 2.82Å
413	F	96	Very high	94.7	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-46.2	174	-173.2	-91.8	0	0	0	112	F336 L363 W405 L409 G410 C411 W421 P434 Y435	F336-F413 HydrophobicContact CD1-CD1 4.01Å; F336-F413 HydrophobicContact CD1-CE1 4.48Å; F336-F413 AromaticContact CE1-CD1 3.89Å; F336-F413 HydrophobicContact CE1-CD1 3.89Å; F336-F413 AromaticContact CE1-CE1 3.95Å; F336-F413 HydrophobicContact CE1-CE1 3.95Å; L363-F413 HydrophobicContact CD2-CD1 4.43Å; L363-F413 HydrophobicContact CD2-CE1 4.31Å; W405-F413 HydrophobicContact CZ2-CZ 4.2Å; W405-F413 AromaticContact NE1-CZ 3.77Å; L409-F413 HydrophobicContact CB-CB 3.59Å; L409-F413 HydrophobicContact CB-CD1 4.19Å; L409-F413 HydrophobicContact CB-CD2 4.12Å; L409-F413 HydrophobicContact CB-CG 3.7Å; L409-F413 HydrophobicContact CD1-CD1 4.25Å; L409-F413 HydrophobicContact CD1-CD2 3.54Å; L409-F413 HydrophobicContact CD1-CE1 4.34Å; L409-F413 HydrophobicContact CD1-CE2 3.64Å; L409-F413 HydrophobicContact CD1-CG 3.87Å; L409-F413 HydrophobicContact CD1-CZ 4.05Å; L409-F413 HydrophobicContact CG-CD2 4.49Å; L409-F413 HydrophobicContact CG-CG 4.44Å; G410-F413 PolarHBondContact O-N 2.9Å; C411-F413 VanDerWaalsContact C-N 3.3Å; C411-F413 PolarHBondContact O-N 3.13Å; F413-W421 HydrophobicContact CB-CE3 3.89Å; F413-W421 HydrophobicContact CB-CH2 4.22Å; F413-W421 HydrophobicContact CB-CZ3 3.6Å; F413-W421 AromaticContact CD2-CD2 3.93Å; F413-W421 HydrophobicContact CD2-CD2 3.93Å; F413-W421 AromaticContact CD2-CE3 3.89Å; F413-W421 HydrophobicContact CD2-CE3 3.89Å; F413-W421 HydrophobicContact CD2-CH2 4.08Å; F413-W421 HydrophobicContact CD2-CZ2 4.11Å; F413-W421 AromaticContact CD2-CZ3 3.98Å; F413-W421 HydrophobicContact CD2-CZ3 3.98Å; F413-W421 HydrophobicContact CG-CE3 4.41Å; F413-W421 HydrophobicContact CG-CZ3 4.29Å; F413-P434 HydrophobicContact CE2-CG 3.9Å; F413-P434 HydrophobicContact CZ-CG 4.11Å; F413-Y435 HydrophobicContact CD2-CE2 4.1Å; F413-Y435 HydrophobicContact CE2-CD2 4.18Å; F413-Y435 AromaticContact CE2-CE2 3.42Å; F413-Y435 HydrophobicContact CE2-CE2 3.42Å; F413-Y435 VanDerWaalsContact CE2-CE2 3.42Å; F413-Y435 AromaticContact CE2-CZ 3.99Å; F413-Y435 HydrophobicContact CZ-CE2 4.1Å
414	A	96.1	Very high	94.7	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-78.3	-25.7	-170.4	0	0	0	0	0	114.5	F336 L341 G410 C411	F336-A414 HydrophobicContact CB-CB 3.99Å; F336-A414 HydrophobicContact CD1-CB 3.92Å; F336-A414 HydrophobicContact CD2-CB 4.1Å; F336-A414 HydrophobicContact CE1-CB 4.45Å; F336-A414 HydrophobicContact CG-CB 3.74Å; L341-A414 HydrophobicContact CD1-CB 4.21Å; L341-A414 HydrophobicContact CD2-CB 4.2Å; G410-A414 PolarHBondContact O-N 3.45Å; C411-A414 PolarHBondContact O-N 2.79Å
415	M	95.2	Very high	94.8	Very high	40 Å²	40	32.3 Å²	32.3	20%	0.197	17%	0.168	C	C	.	.	H	α-helix	trans	-112.8	-16.6	-171.9	-60.5	179.1	66.4	0	0	113.9	R306 L340 L341 C411	R306-M415 WeakPolarHBondContact CD-O 3.25Å; L340-M415 HydrophobicContact CB-SD 4.11Å; L341-M415 HydrophobicContact CD1-CG 3.86Å; C411-M415 HydrophobicContact CB-SD 4.09Å; C411-M415 VanDerWaalsContact O-CB 3.29Å; C411-M415 WeakPolarHBondContact O-CB 3.36Å; C411-M415 PolarHBondContact O-N 2.8Å
416	K	93.7	Very high	94.7	Very high	45 Å²	45	35.7 Å²	35.7	20%	0.196	18%	0.184	C	C	.	.	S	Bend	trans	-108.8	172.1	176.9	-54.5	169.3	162.1	-178	0	109.7	R362 D412 E420	R362-K416 PolarHBondContact NH1-O 2.88Å; D412-K416 HydrophobicContact CB-CD 4.22Å; D412-K416 VanDerWaalsContact O-CB 3.25Å; D412-K416 WeakPolarHBondContact O-CB 3.26Å; D412-K416 PolarHBondContact O-N 2.89Å; D412-K416 WeakPolarHBondContact OD1-CD 3.26Å; D412-K416 WeakPolarHBondContact OD1-CE 3.46Å; D412-K416 IonicContact OD1-NZ 2.82Å; D412-K416 PolarHBondContact OD1-NZ 2.82Å; K416-E420 VanDerWaalsContact CD-CD 3.47Å; K416-E420 HydrophobicContact CD-CG 4.26Å; K416-E420 WeakPolarHBondContact CD-OE2 3.48Å; K416-E420 WeakPolarHBondContact CE-OE1 3.49Å; K416-E420 IonicContact NZ-OE1 3.53Å; K416-E420 PolarHBondContact NZ-OE1 3.39Å
417	N	92.1	Very high	94.6	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	22%	0.215	C	C	.	.			trans	-88.4	170.2	177.1	65.8	33.8	0	0	0	113	W309 F310 G419 E420 W421 Y477	W309-N417 HydrophobicContact CD2-CB 4.16Å; W309-N417 HydrophobicContact CE3-CB 4.31Å; W309-N417 HydrophobicContact CH2-CB 3.68Å; W309-N417 HydrophobicContact CZ2-CB 3.48Å; W309-N417 VanDerWaalsContact CZ2-CB 3.48Å; W309-N417 HydrophobicContact CZ3-CB 4.08Å; W309-N417 PolarHBondContact NE1-ND2 2.04Å; F310-N417 PolarHBondContact N-ND2 3.15Å; F310-N417 PolarHBondContact O-ND2 2.97Å; N417-G419 VanDerWaalsContact C-N 3.27Å; N417-G419 PolarHBondContact O-N 3.43Å; N417-G419 PolarHBondContact OD1-N 3.32Å; N417-G419 VanDerWaalsContact OD1-N 3.15Å; N417-E420 PolarHBondContact O-N 2.7Å; N417-E420 PolarHBondContact OD1-N 2.99Å; N417-E420 VanDerWaalsContact OD1-N 3.08Å; N417-W421 PolarHBondContact O-N 3.3Å; N417-Y477 HydrophobicContact CB-CE1 4.23Å
418	C	94.3	Very high	94.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-29.9	179.9	58.2	0	0	0	0	113.3	W421 I422 Y435 Y477 C502	C418-W421 WeakPolarHBondContact O-CB 3.39Å; C418-W421 PolarHBondContact O-N 2.82Å; C418-I422 HydrophobicContact CB-CD1 4.47Å; C418-I422 WeakPolarHBondContact O-CB 3.32Å; C418-I422 WeakPolarHBondContact O-CD1 3.09Å; C418-I422 WeakPolarHBondContact O-CG1 3.41Å; C418-I422 PolarHBondContact O-N 2.88Å; C418-Y435 HydrophobicContact CB-CD1 3.71Å; C418-Y435 HydrophobicContact CB-CD2 3.82Å; C418-Y435 HydrophobicContact CB-CE1 3.53Å; C418-Y435 HydrophobicContact CB-CE2 3.62Å; C418-Y435 HydrophobicContact CB-CG 3.86Å; C418-Y435 VanDerWaalsContact CB-CZ 3.49Å; C418-Y477 VanDerWaalsContact SG-CD2 3.59Å; C418-Y477 WeakPolarHBondContact SG-CE2 3.17Å; C418-C502 HydrophobicContact CB-CB 3.55Å; C418-C502 WeakPolarHBondContact CB-SG 3.3Å; C418-C502 WeakPolarHBondContact SG-CA 3.16Å; C418-C502 WeakPolarHBondContact SG-CB 3.2Å; C418-C502 CovalentContact SG-SG 2.02Å; C418-C502 PolarHBondContact SG-SG 3.33Å
419	G	93.8	Very high	94.3	Very high	1 Å²	1	50 Å²	50	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-47.1	178.7	0	0	0	0	0	112.3	N417 I422 H423	N417-G419 VanDerWaalsContact C-N 3.27Å; N417-G419 PolarHBondContact O-N 3.43Å; N417-G419 PolarHBondContact OD1-N 3.32Å; N417-G419 VanDerWaalsContact OD1-N 3.15Å; G419-I422 PolarHBondContact O-N 3.14Å; G419-H423 WeakPolarHBondContact O-CB 3.08Å; G419-H423 PolarHBondContact O-N 3.28Å
420	E	93.7	Very high	94.1	Very high	24 Å²	24	50.1 Å²	50.1	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-40.7	176.5	-169.9	166.8	175.1	0	0	111.9	F310 R315 K416 N417 H423 A424	F310-E420 HydrophobicContact CB-CB 3.73Å; F310-E420 HydrophobicContact CB-CG 4.45Å; F310-E420 HydrophobicContact CD1-CB 4.32Å; F310-E420 HydrophobicContact CD2-CB 4.39Å; F310-E420 HydrophobicContact CG-CB 3.9Å; R315-E420 IonicContact CZ-OE1 3.81Å; R315-E420 IonicContact CZ-OE2 3.53Å; R315-E420 VanDerWaalsContact NH1-CD 3.31Å; R315-E420 IonicContact NH1-OE1 3.57Å; R315-E420 PolarHBondContact NH1-OE1 3.05Å; R315-E420 IonicContact NH1-OE2 2.88Å; R315-E420 PolarHBondContact NH1-OE2 2.94Å; R315-E420 IonicContact NH2-OE1 3.31Å; R315-E420 PolarHBondContact NH2-OE1 3.39Å; R315-E420 IonicContact NH2-OE2 3.99Å; R315-E420 PolarHBondContact NH2-OE2 2.83Å; K416-E420 VanDerWaalsContact CD-CD 3.47Å; K416-E420 HydrophobicContact CD-CG 4.26Å; K416-E420 WeakPolarHBondContact CD-OE2 3.48Å; K416-E420 WeakPolarHBondContact CE-OE1 3.49Å; K416-E420 IonicContact NZ-OE1 3.53Å; K416-E420 PolarHBondContact NZ-OE1 3.39Å; N417-E420 PolarHBondContact O-N 2.7Å; N417-E420 PolarHBondContact OD1-N 2.99Å; N417-E420 VanDerWaalsContact OD1-N 3.08Å; E420-H423 PolarHBondContact O-N 2.73Å; E420-A424 WeakPolarHBondContact O-CB 3.1Å; E420-A424 PolarHBondContact O-N 3.27Å
421	W	95.1	Very high	93.8	Very high	53 Å²	53	53.6 Å²	53.6	20%	0.201	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-50.5	175.5	178.2	-87.2	0	0	0	111.9	L409 F413 N417 C418 H423 A424 A425 P432 W433 Y435	L409-W421 HydrophobicContact CB-CH2 3.99Å; L409-W421 HydrophobicContact CB-CZ3 4.48Å; L409-W421 HydrophobicContact CD1-CH2 4.26Å; L409-W421 HydrophobicContact CD1-CZ2 4.25Å; L409-W421 HydrophobicContact CD2-CH2 4.29Å; L409-W421 HydrophobicContact CG-CH2 4.41Å; F413-W421 HydrophobicContact CB-CE3 3.89Å; F413-W421 HydrophobicContact CB-CH2 4.22Å; F413-W421 HydrophobicContact CB-CZ3 3.6Å; F413-W421 AromaticContact CD2-CD2 3.93Å; F413-W421 HydrophobicContact CD2-CD2 3.93Å; F413-W421 AromaticContact CD2-CE3 3.89Å; F413-W421 HydrophobicContact CD2-CE3 3.89Å; F413-W421 HydrophobicContact CD2-CH2 4.08Å; F413-W421 HydrophobicContact CD2-CZ2 4.11Å; F413-W421 AromaticContact CD2-CZ3 3.98Å; F413-W421 HydrophobicContact CD2-CZ3 3.98Å; F413-W421 HydrophobicContact CG-CE3 4.41Å; F413-W421 HydrophobicContact CG-CZ3 4.29Å; N417-W421 PolarHBondContact O-N 3.3Å; C418-W421 WeakPolarHBondContact O-CB 3.39Å; C418-W421 PolarHBondContact O-N 2.82Å; W421-H423 VanDerWaalsContact C-N 3.33Å; W421-H423 PolarHBondContact O-N 3.43Å; W421-A424 PolarHBondContact O-N 2.97Å; W421-A425 WeakPolarHBondContact O-CB 3.36Å; W421-A425 PolarHBondContact O-N 3.04Å; W421-P432 PolarHBondContact NE1-O 3.18Å; W421-W433 PolarHBondContact NE1-O 3.46Å; W421-Y435 HydrophobicContact CB-CD2 4.38Å; W421-Y435 HydrophobicContact CB-CE2 4.5Å; W421-Y435 AromaticContact CD1-CD2 3.51Å; W421-Y435 HydrophobicContact CG-CD2 4.01Å; W421-Y435 HydrophobicContact CG-CE2 4.31Å
422	I	94.6	Very high	93.6	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-45.4	178.2	-70.5	163.8	0	0	0	110.3	C418 G419 A425 K426 P432 T437 F478 P503	C418-I422 HydrophobicContact CB-CD1 4.47Å; C418-I422 WeakPolarHBondContact O-CB 3.32Å; C418-I422 WeakPolarHBondContact O-CD1 3.09Å; C418-I422 WeakPolarHBondContact O-CG1 3.41Å; C418-I422 PolarHBondContact O-N 2.88Å; G419-I422 PolarHBondContact O-N 3.14Å; I422-A425 PolarHBondContact O-N 3.04Å; I422-K426 HydrophobicContact CG2-CD 4.27Å; I422-K426 WeakPolarHBondContact O-CG 3.31Å; I422-K426 PolarHBondContact O-N 3.48Å; I422-P432 HydrophobicContact CB-CB 4.39Å; I422-P432 HydrophobicContact CG1-CB 3.99Å; I422-P432 HydrophobicContact CG2-CB 4.45Å; I422-T437 HydrophobicContact CD1-CG2 4.41Å; I422-T437 HydrophobicContact CG1-CG2 4.48Å; I422-T437 HydrophobicContact CG2-CG2 3.41Å; I422-T437 VanDerWaalsContact CG2-CG2 3.41Å; I422-F478 HydrophobicContact CD1-CE1 3.97Å; I422-F478 HydrophobicContact CD1-CZ 4.02Å; I422-F478 HydrophobicContact CG2-CE1 4.23Å; I422-P503 HydrophobicContact CD1-CG 4.37Å
423	H	92.7	Very high	93.3	Very high	71 Å²	71	53.4 Å²	53.4	33%	0.329	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-44.5	179.3	-176.5	-95.5	0	0	0	111.7	G419 E420 W421 A425 K426 Q427	G419-H423 WeakPolarHBondContact O-CB 3.08Å; G419-H423 PolarHBondContact O-N 3.28Å; E420-H423 PolarHBondContact O-N 2.73Å; W421-H423 VanDerWaalsContact C-N 3.33Å; W421-H423 PolarHBondContact O-N 3.43Å; H423-A425 PolarHBondContact O-N 2.97Å; H423-K426 PolarHBondContact O-N 3.05Å; H423-Q427 PolarHBondContact CE1-NE2 3.48Å; H423-Q427 WeakPolarHBondContact O-CG 3.41Å; H423-Q427 PolarHBondContact O-N 3.33Å
424	A	93.7	Very high	93.1	Very high	27 Å²	27	53.4 Å²	53.4	22%	0.223	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-40.2	176.1	0	0	0	0	0	112.4	E420 W421 Q427 R428	E420-A424 WeakPolarHBondContact O-CB 3.1Å; E420-A424 PolarHBondContact O-N 3.27Å; W421-A424 PolarHBondContact O-N 2.97Å; A424-Q427 PolarHBondContact O-N 2.99Å; A424-R428 WeakPolarHBondContact O-CG 3.48Å; A424-R428 PolarHBondContact O-N 2.79Å
425	A	94	Very high	93	Very high	7 Å²	7	53.7 Å²	53.7	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-43.2	176.4	0	0	0	0	0	112	W421 I422 H423 R428 N429 S430 P432	W421-A425 WeakPolarHBondContact O-CB 3.36Å; W421-A425 PolarHBondContact O-N 3.04Å; I422-A425 PolarHBondContact O-N 3.04Å; H423-A425 PolarHBondContact O-N 2.97Å; A425-R428 CarbonylContact O-C 3.46Å; A425-R428 PolarHBondContact O-N 3.41Å; A425-N429 PolarHBondContact O-N 3.34Å; A425-S430 CarbonylContact C-O 3.56Å; A425-S430 WeakPolarHBondContact CA-OG 3.3Å; A425-S430 PolarHBondContact O-N 2.76Å; A425-S430 PolarHBondContact O-OG 3.3Å; A425-P432 HydrophobicContact CB-CB 3.95Å
426	K	91.5	Very high	92.9	Very high	92 Å²	92	52.2 Å²	52.2	40%	0.4	26%	0.257	S	S	.	.	H	α-helix	trans	-59.9	-44.7	174.4	-75.7	-178.9	-179	179.5	0	112	I422 H423 R428 N429	I422-K426 HydrophobicContact CG2-CD 4.27Å; I422-K426 WeakPolarHBondContact O-CG 3.31Å; I422-K426 PolarHBondContact O-N 3.48Å; H423-K426 PolarHBondContact O-N 3.05Å; K426-R428 PolarHBondContact O-N 3.04Å; K426-N429 PolarHBondContact O-N 2.92Å
427	Q	92.4	Very high	92.9	Very high	142 Å²	142	52 Å²	52	66%	0.664	26%	0.26	S	S	*	.	H	α-helix	trans	-60.9	-31.9	177.2	-74.4	-176.8	-23.4	0	0	113.1	H423 A424 N429	H423-Q427 PolarHBondContact CE1-NE2 3.48Å; H423-Q427 WeakPolarHBondContact O-CG 3.41Å; H423-Q427 PolarHBondContact O-N 3.33Å; A424-Q427 PolarHBondContact O-N 2.99Å; Q427-N429 VanDerWaalsContact C-N 3.29Å
428	R	94.7	Very high	92.7	Very high	187 Å²	187	55.2 Å²	55.2	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	1.9	176.2	-65.2	173.8	-170.8	168.6	4.4	113.4	A424 A425 K426 S430	A424-R428 WeakPolarHBondContact O-CG 3.48Å; A424-R428 PolarHBondContact O-N 2.79Å; A425-R428 CarbonylContact O-C 3.46Å; A425-R428 PolarHBondContact O-N 3.41Å; K426-R428 PolarHBondContact O-N 3.04Å; R428-S430 PolarHBondContact O-N 3.37Å
429	N	92.5	Very high	92.4	Very high	158 Å²	158	57 Å²	57	85%	0.845	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	43.1	-171	-162.3	35.4	0	0	0	112.4	A425 K426 Q427	A425-N429 PolarHBondContact O-N 3.34Å; K426-N429 PolarHBondContact O-N 2.92Å; Q427-N429 VanDerWaalsContact C-N 3.29Å
430	S	92.2	Very high	91.6	Very high	56 Å²	56	60 Å²	60	39%	0.392	30%	0.298	S	S	.	.			trans	-121.8	160.5	-175.6	62.7	0	0	0	0	111.1	A425 R428	A425-S430 CarbonylContact C-O 3.56Å; A425-S430 WeakPolarHBondContact CA-OG 3.3Å; A425-S430 PolarHBondContact O-N 2.76Å; A425-S430 PolarHBondContact O-OG 3.3Å; R428-S430 PolarHBondContact O-N 3.37Å
431	S	89.8	Confident	90.4	Very high	91 Å²	91	63.1 Å²	63.1	64%	0.636	32%	0.316	S	S	*	.			trans	-63.5	132.3	176.8	-178.2	0	0	0	0	110.8	W433	S431-W433 PolarHBondContact O-N 2.83Å; S431-W433 WeakPolarHBondContact OG-CB 3.5Å; S431-W433 PolarHBondContact OG-N 3.23Å
432	P	92.7	Very high	88.9	Confident	20 Å²	20	67.9 Å²	67.9	13%	0.13	34%	0.338	C	S	.	.			trans	-74.6	8.6	172.9	31.7	-34.3	0	0	0	113.7	W421 I422 A425 Y435 T437	W421-P432 PolarHBondContact NE1-O 3.18Å; I422-P432 HydrophobicContact CB-CB 4.39Å; I422-P432 HydrophobicContact CG1-CB 3.99Å; I422-P432 HydrophobicContact CG2-CB 4.45Å; A425-P432 HydrophobicContact CB-CB 3.95Å; P432-Y435 CarbonylContact C-O 3.52Å; P432-Y435 VanDerWaalsContact C-O 3.23Å; P432-Y435 WeakPolarHBondContact O-CA 3.46Å; P432-Y435 WeakPolarHBondContact O-CB 3.1Å; P432-Y435 PolarHBondContact O-N 2.79Å; P432-T437 HydrophobicContact CG-CG2 4.42Å
433	W	89.3	Confident	87.2	Confident	98 Å²	98	70.8 Å²	70.8	37%	0.371	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.1	135.4	178.1	176.2	-91.2	0	0	0	112.3	W421 S431 Y435 L505	W421-W433 PolarHBondContact NE1-O 3.46Å; S431-W433 PolarHBondContact O-N 2.83Å; S431-W433 WeakPolarHBondContact OG-CB 3.5Å; S431-W433 PolarHBondContact OG-N 3.23Å; W433-Y435 PolarHBondContact N-O 3.38Å; W433-L505 HydrophobicContact CE3-CD1 3.73Å; W433-L505 HydrophobicContact CE3-CG 4.44Å; W433-L505 HydrophobicContact CZ3-CB 3.88Å; W433-L505 HydrophobicContact CZ3-CD1 3.41Å; W433-L505 VanDerWaalsContact CZ3-CD1 3.41Å; W433-L505 HydrophobicContact CZ3-CG 4.05Å
434	P	91.3	Very high	85.6	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.019	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	cis	-83.8	-3.2	6.5	36.8	-39	0	0	0	115.6	W405 L409 F413 F504 L505	W405-P434 HydrophobicContact CD2-CB 4.5Å; W405-P434 HydrophobicContact CD2-CG 4.19Å; W405-P434 HydrophobicContact CE3-CB 3.78Å; W405-P434 HydrophobicContact CE3-CG 3.95Å; W405-P434 HydrophobicContact CH2-CB 3.8Å; W405-P434 HydrophobicContact CH2-CG 3.68Å; W405-P434 HydrophobicContact CZ2-CG 3.94Å; W405-P434 HydrophobicContact CZ3-CB 3.41Å; W405-P434 VanDerWaalsContact CZ3-CB 3.41Å; W405-P434 HydrophobicContact CZ3-CG 3.72Å; L409-P434 HydrophobicContact CD1-CG 4.39Å; F413-P434 HydrophobicContact CE2-CG 3.9Å; F413-P434 HydrophobicContact CZ-CG 4.11Å; P434-F504 WeakPolarHBondContact O-CB 3.24Å; P434-L505 PolarHBondContact O-N 2.81Å
435	Y	94.8	Very high	83.8	Confident	6 Å²	6	71.5 Å²	71.5	2%	0.024	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-76	166.6	171.4	-59.9	-66.3	0	0	0	111.8	R362 W405 F413 C418 W421 P432 W433 C502 P503 F504	R362-Y435 WeakPolarHBondContact CG-OH 3.41Å; R362-Y435 PolarHBondContact O-OH 3.17Å; W405-Y435 HydrophobicContact CH2-CD1 4.43Å; W405-Y435 HydrophobicContact CH2-CE1 4.21Å; W405-Y435 AromaticContact CZ2-CE1 3.97Å; W405-Y435 HydrophobicContact CZ2-CE1 3.97Å; F413-Y435 HydrophobicContact CD2-CE2 4.1Å; F413-Y435 HydrophobicContact CE2-CD2 4.18Å; F413-Y435 AromaticContact CE2-CE2 3.42Å; F413-Y435 HydrophobicContact CE2-CE2 3.42Å; F413-Y435 VanDerWaalsContact CE2-CE2 3.42Å; F413-Y435 AromaticContact CE2-CZ 3.99Å; F413-Y435 HydrophobicContact CZ-CE2 4.1Å; C418-Y435 HydrophobicContact CB-CD1 3.71Å; C418-Y435 HydrophobicContact CB-CD2 3.82Å; C418-Y435 HydrophobicContact CB-CE1 3.53Å; C418-Y435 HydrophobicContact CB-CE2 3.62Å; C418-Y435 HydrophobicContact CB-CG 3.86Å; C418-Y435 VanDerWaalsContact CB-CZ 3.49Å; W421-Y435 HydrophobicContact CB-CD2 4.38Å; W421-Y435 HydrophobicContact CB-CE2 4.5Å; W421-Y435 AromaticContact CD1-CD2 3.51Å; W421-Y435 HydrophobicContact CG-CD2 4.01Å; W421-Y435 HydrophobicContact CG-CE2 4.31Å; P432-Y435 CarbonylContact C-O 3.52Å; P432-Y435 VanDerWaalsContact C-O 3.23Å; P432-Y435 WeakPolarHBondContact O-CA 3.46Å; P432-Y435 WeakPolarHBondContact O-CB 3.1Å; P432-Y435 PolarHBondContact O-N 2.79Å; W433-Y435 PolarHBondContact N-O 3.38Å; Y435-C502 HydrophobicContact CD1-CB 4.05Å; Y435-C502 HydrophobicContact CE1-CB 3.63Å; Y435-P503 CarbonylContact C-O 3.56Å; Y435-P503 VanDerWaalsContact CA-O 3.27Å; Y435-P503 WeakPolarHBondContact CA-O 3.34Å; Y435-P503 WeakPolarHBondContact CB-O 3.24Å; Y435-P503 WeakPolarHBondContact CD1-O 3.16Å; Y435-F504 HydrophobicContact CD1-CB 4.11Å
436	C	93	Very high	82	Confident	9 Å²	9	80.3 Å²	80.3	6%	0.061	39%	0.391	C	S	.	.			trans	-143.4	163.6	-176.1	65.5	0	0	0	0	112.2	C462 P503 F504 L505	C436-C462 HydrophobicContact CB-CB 3.74Å; C436-C462 WeakPolarHBondContact CB-SG 3.01Å; C436-C462 WeakPolarHBondContact SG-CA 3.49Å; C436-C462 WeakPolarHBondContact SG-CB 3.39Å; C436-C462 CovalentContact SG-SG 2.02Å; C436-C462 PolarHBondContact SG-SG 2.9Å; C436-P503 PolarHBondContact N-O 2.75Å; C436-P503 WeakPolarHBondContact O-CG 3.4Å; C436-F504 VanDerWaalsContact SG-CA 3.55Å; C436-F504 PolarHBondContact SG-O 2.04Å; C436-F504 VanDerWaalsContact SG-O 3.39Å; C436-L505 HydrophobicContact CB-CD2 4.09Å; C436-L505 HydrophobicContact CB-CG 4.24Å
437	T	91.9	Very high	80.8	Confident	40 Å²	40	79.9 Å²	79.9	25%	0.245	39%	0.393	C	S	.	.			trans	-133.1	12.6	-179.5	63.5	0	0	0	0	113.4	I422 P432 V439 F478	I422-T437 HydrophobicContact CD1-CG2 4.41Å; I422-T437 HydrophobicContact CG1-CG2 4.48Å; I422-T437 HydrophobicContact CG2-CG2 3.41Å; I422-T437 VanDerWaalsContact CG2-CG2 3.41Å; P432-T437 HydrophobicContact CG-CG2 4.42Å; T437-V439 PolarHBondContact O-N 3.25Å; T437-F478 HydrophobicContact CG2-CE1 4.02Å
438	E	88.2	Confident	79.8	Confident	72 Å²	72	74.2 Å²	74.2	34%	0.336	37%	0.367	S	S	.	.			trans	-82.8	114.1	179.7	-64.4	-176.4	168.9	0	0	108.9	K440 K449 C462	E438-K440 PolarHBondContact O-N 2.75Å; E438-K449 IonicContact OE1-NZ 3.23Å; E438-K449 PolarHBondContact OE1-NZ 3.13Å; E438-K449 WeakPolarHBondContact OE2-CD 3.42Å; E438-K449 IonicContact OE2-NZ 3.07Å; E438-C462 HydrophobicContact CB-CB 3.98Å; E438-C462 WeakPolarHBondContact O-CB 2.98Å; E438-C462 PolarHBondContact O-SG 3.2Å
439	V	87.5	Confident	79.3	Confident	36 Å²	36	69.4 Å²	69.4	22%	0.218	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-68	127.2	179.8	176.9	0	0	0	0	109.3	T437 L441 L464 L481 V484 Y492	T437-V439 PolarHBondContact O-N 3.25Å; V439-L441 PolarHBondContact O-N 2.68Å; V439-L441 VanDerWaalsContact O-N 3.12Å; V439-L464 HydrophobicContact CG2-CD2 3.95Å; V439-L464 HydrophobicContact CG2-CG 4.36Å; V439-L481 HydrophobicContact CG2-CB 4.32Å; V439-L481 HydrophobicContact CG2-CD1 4.23Å; V439-V484 HydrophobicContact CG2-CG2 4.02Å; V439-Y492 HydrophobicContact CG1-CD1 4.21Å; V439-Y492 HydrophobicContact CG1-CE1 3.67Å; V439-Y492 HydrophobicContact CG2-CD1 4.32Å; V439-Y492 HydrophobicContact CG2-CE1 4.3Å
440	K	77.2	Confident	79.1	Confident	64 Å²	64	62 Å²	62	28%	0.278	31%	0.312	S	S	.	.			trans	-65	111.9	172.2	-172.8	179.5	-178.2	178.5	0	109.2	E438 L464 V465	E438-K440 PolarHBondContact O-N 2.75Å; K440-L464 VanDerWaalsContact CB-O 3.27Å; K440-L464 WeakPolarHBondContact CB-O 3.18Å; K440-L464 PolarHBondContact N-O 2.93Å; K440-V465 HydrophobicContact CB-CG1 4.29Å; K440-V465 HydrophobicContact CD-CG1 4Å
441	L	69.9	Low	79.1	Confident	91 Å²	91	60.4 Å²	60.4	48%	0.476	30%	0.301	S	S	.	.			trans	-68	138.2	-176.8	-67.4	171.6	0	0	0	111.6	V439 S443 D447	V439-L441 PolarHBondContact O-N 2.68Å; V439-L441 VanDerWaalsContact O-N 3.12Å; L441-S443 PolarHBondContact O-N 2.04Å; L441-D447 HydrophobicContact CB-CB 4.5Å; L441-D447 HydrophobicContact CD1-CB 3.33Å
442	K	63.9	Low	79.2	Confident	153 Å²	153	56.6 Å²	56.6	67%	0.665	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.5	175.5	-65.6	-177.4	-177.8	172.8	0	113.3	G444 E466	K442-G444 PolarHBondContact O-N 3.32Å; K442-E466 WeakPolarHBondContact CE-OE2 3.2Å; K442-E466 IonicContact NZ-OE1 3.27Å; K442-E466 PolarHBondContact NZ-OE1 3.49Å; K442-E466 IonicContact NZ-OE2 2.83Å; K442-E466 PolarHBondContact NZ-OE2 2.87Å
443	S	57.3	Low	79	Confident	63 Å²	63	56.4 Å²	56.4	44%	0.441	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	2.4	-178.1	53.3	0	0	0	0	114.4	L441 D447	L441-S443 PolarHBondContact O-N 2.04Å; S443-D447 WeakPolarHBondContact CB-OD2 3.44Å; S443-D447 PolarHBondContact OG-OD2 3.26Å
444	G	59	Low	78.7	Confident	23 Å²	23	54.5 Å²	54.5	24%	0.237	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	77.5	-155.3	178.3	0	0	0	0	0	112.4	K442 R446	K442-G444 PolarHBondContact O-N 3.32Å; G444-R446 PolarHBondContact O-N 3.32Å
445	W	55.7	Low	78.4	Confident	90 Å²	90	56.4 Å²	56.4	34%	0.341	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-58.9	-12.8	-173.9	-59.8	98.8	0	0	0	115	D447 M448 F508 W510 H567	W445-D447 PolarHBondContact O-N 2.91Å; W445-M448 HydrophobicContact CE3-CE 3.46Å; W445-M448 VanDerWaalsContact CE3-CE 3.46Å; W445-M448 HydrophobicContact CE3-SD 4.49Å; W445-M448 HydrophobicContact CZ3-CE 3.42Å; W445-M448 VanDerWaalsContact CZ3-CE 3.42Å; W445-F508 HydrophobicContact CZ3-CD2 4.48Å; W445-F508 HydrophobicContact CZ3-CE2 4.11Å; W445-W510 AromaticContact CE3-CD1 3.84Å; W445-W510 HydrophobicContact CH2-CB 4.41Å; W445-W510 AromaticContact CH2-CD1 3.41Å; W445-W510 VanDerWaalsContact CH2-CD1 3.41Å; W445-W510 HydrophobicContact CH2-CG 4.07Å; W445-W510 AromaticContact CZ3-CD1 3.14Å; W445-W510 HydrophobicContact CZ3-CG 4.13Å; W445-W510 AromaticContact CZ3-NE1 3.4Å; W445-H567 AromaticContact CE3-CE1 3.89Å; W445-H567 PolarHBondContact O-CE1 3.43Å
446	R	57.1	Low	78.3	Confident	193 Å²	193	57.7 Å²	57.7	73%	0.728	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-76.1	-18.6	-170.9	-66.2	-167.5	-159	-172.6	7.6	115.5	G444 P566	G444-R446 PolarHBondContact O-N 3.32Å; R446-P566 HydrophobicContact CB-CB 4.15Å; R446-P566 WeakPolarHBondContact O-CB 3.35Å
447	D	65.8	Low	78.2	Confident	82 Å²	82	59.7 Å²	59.7	44%	0.439	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-129.6	21	-179.1	-56.3	-54.1	0	0	0	111.6	L441 S443 W445 K449	L441-D447 HydrophobicContact CB-CB 4.5Å; L441-D447 HydrophobicContact CD1-CB 3.33Å; S443-D447 WeakPolarHBondContact CB-OD2 3.44Å; S443-D447 PolarHBondContact OG-OD2 3.26Å; W445-D447 PolarHBondContact O-N 2.91Å; D447-K449 PolarHBondContact O-N 3.3Å
448	M	72.1	Confident	78.2	Confident	23 Å²	23	57.8 Å²	57.8	11%	0.113	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-77.4	119.4	-177.9	-170.3	158.7	77.2	0	0	110.9	W445 L461 F508	W445-M448 HydrophobicContact CE3-CE 3.46Å; W445-M448 VanDerWaalsContact CE3-CE 3.46Å; W445-M448 HydrophobicContact CE3-SD 4.49Å; W445-M448 HydrophobicContact CZ3-CE 3.42Å; W445-M448 VanDerWaalsContact CZ3-CE 3.42Å; M448-L461 HydrophobicContact CE-CD2 4.23Å; M448-L461 HydrophobicContact SD-CB 4.45Å; M448-L461 HydrophobicContact SD-CD2 3.64Å; M448-F508 HydrophobicContact CE-CE2 3.85Å; M448-F508 HydrophobicContact CE-CZ 4Å
449	K	83	Confident	78.4	Confident	86 Å²	86	54.7 Å²	54.7	37%	0.374	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-88.7	116.5	170.7	-173.6	171.6	167	-162	0	109.9	E438 D447 H568	E438-K449 IonicContact OE1-NZ 3.23Å; E438-K449 PolarHBondContact OE1-NZ 3.13Å; E438-K449 WeakPolarHBondContact OE2-CD 3.42Å; E438-K449 IonicContact OE2-NZ 3.07Å; D447-K449 PolarHBondContact O-N 3.3Å; K449-H568 CarbonylContact C-O 3.47Å; K449-H568 VanDerWaalsContact CA-O 3.32Å; K449-H568 WeakPolarHBondContact CA-O 3.44Å
450	T	89.4	Confident	78.6	Confident	4 Å²	4	53 Å²	53	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	161.3	171.7	52	0	0	0	0	110.2	A460 F508 H568 G569 A570	T450-A460 CarbonylContact C-O 3.5Å; T450-A460 WeakPolarHBondContact CA-O 3.44Å; T450-F508 HydrophobicContact CG2-CE1 4.19Å; T450-F508 HydrophobicContact CG2-CZ 4.01Å; T450-H568 PolarHBondContact N-O 3.46Å; T450-H568 PolarHBondContact OG1-O 3.18Å; T450-G569 CarbonylContact O-C 3.52Å; T450-G569 VanDerWaalsContact O-CA 3.22Å; T450-G569 WeakPolarHBondContact O-CA 3.46Å; T450-A570 PolarHBondContact OG1-N 3.37Å; T450-A570 PolarHBondContact OG1-O 2.95Å
451	S	91.2	Very high	79.1	Confident	22 Å²	22	50.5 Å²	50.5	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.2	172.3	-65.8	0	0	0	0	108.7	A460	S451-A460 PolarHBondContact N-O 3.48Å; S451-A460 PolarHBondContact O-N 3.24Å
452	C	92.6	Very high	80.1	Confident	10 Å²	10	46.5 Å²	46.5	7%	0.068	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	143.2	170.1	-60.5	0	0	0	0	111.1	R456 C547	C452-R456 HydrophobicContact CB-CB 4.47Å; C452-R456 HydrophobicContact CB-CG 4.2Å; C452-R456 PolarHBondContact SG-NH2 3.44Å; C452-C547 WeakPolarHBondContact CA-SG 3Å; C452-C547 HydrophobicContact CB-CB 3.75Å; C452-C547 WeakPolarHBondContact CB-SG 3.06Å; C452-C547 WeakPolarHBondContact SG-CB 3.02Å; C452-C547 PolarHBondContact SG-O 3.03Å; C452-C547 CovalentContact SG-SG 2.03Å; C452-C547 PolarHBondContact SG-SG 2.87Å
453	N	88.5	Confident	81.2	Confident	16 Å²	16	39.3 Å²	39.3	9%	0.086	20%	0.2	C	C	.	.			trans	-69.8	176.5	165.7	78	-19.9	0	0	0	111	N455 R456 D457 S458 A460 E507	N453-N455 VanDerWaalsContact C-N 3.3Å; N453-N455 PolarHBondContact O-N 2.88Å; N453-R456 PolarHBondContact O-N 3.27Å; N453-R456 VanDerWaalsContact O-N 3.13Å; N453-R456 VanDerWaalsContact OD1-CA 3.26Å; N453-R456 WeakPolarHBondContact OD1-CA 3.2Å; N453-R456 PolarHBondContact OD1-N 3.29Å; N453-D457 PolarHBondContact ND2-OD1 2.82Å; N453-D457 PolarHBondContact OD1-N 2.82Å; N453-D457 VanDerWaalsContact OD1-N 3.15Å; N453-D457 PolarHBondContact OD1-OD1 2.05Å; N453-S458 PolarHBondContact N-O 3.04Å; N453-S458 PolarHBondContact ND2-OG 3.22Å; N453-S458 PolarHBondContact OD1-N 2.92Å; N453-S458 PolarHBondContact OD1-O 2.86Å; N453-A460 HydrophobicContact CB-CB 4.47Å; N453-E507 PolarHBondContact ND2-OE1 3.22Å
454	S	82.5	Confident	82.9	Confident	59 Å²	59	36.3 Å²	36.3	41%	0.413	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-42.3	-176.5	40.9	0	0	0	0	113.5	R456	S454-R456 VanDerWaalsContact C-N 3.33Å
455	N	85.3	Confident	84.4	Confident	42 Å²	42	36.7 Å²	36.7	23%	0.225	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.6	-176.5	-75.1	-40.8	0	0	0	113.7	D404 N453 D457 K627	D404-N455 VanDerWaalsContact OD2-CG 3.25Å; D404-N455 PolarHBondContact OD2-ND2 3.37Å; D404-N455 PolarHBondContact OD2-OD1 3.07Å; D404-N455 VanDerWaalsContact OD2-OD1 3.05Å; N453-N455 VanDerWaalsContact C-N 3.3Å; N453-N455 PolarHBondContact O-N 2.88Å; N455-D457 PolarHBondContact O-N 2.63Å; N455-K627 PolarHBondContact OD1-NZ 2.96Å
456	R	92.7	Very high	86.2	Confident	33 Å²	33	36 Å²	36	13%	0.125	18%	0.177	C	C	.	.	S	Bend	trans	54.9	32.3	-176.2	-47.7	-172.5	74.1	98	5.3	112	C452 N453 S454 A546 C547 D549 L625	C452-R456 HydrophobicContact CB-CB 4.47Å; C452-R456 HydrophobicContact CB-CG 4.2Å; C452-R456 PolarHBondContact SG-NH2 3.44Å; N453-R456 PolarHBondContact O-N 3.27Å; N453-R456 VanDerWaalsContact O-N 3.13Å; N453-R456 VanDerWaalsContact OD1-CA 3.26Å; N453-R456 WeakPolarHBondContact OD1-CA 3.2Å; N453-R456 PolarHBondContact OD1-N 3.29Å; S454-R456 VanDerWaalsContact C-N 3.33Å; R456-A546 CarbonylContact O-C 3.51Å; R456-A546 VanDerWaalsContact O-CA 3.26Å; R456-A546 WeakPolarHBondContact O-CA 3.26Å; R456-A546 VanDerWaalsContact O-CB 3.3Å; R456-A546 WeakPolarHBondContact O-CB 3.34Å; R456-C547 HydrophobicContact CB-CB 4.24Å; R456-C547 PolarHBondContact NE-O 3.26Å; R456-C547 PolarHBondContact NH2-O 3.17Å; R456-C547 VanDerWaalsContact NH2-O 3.16Å; R456-C547 PolarHBondContact O-N 2.85Å; R456-D549 IonicContact CZ-OD2 3.79Å; R456-D549 VanDerWaalsContact CZ-OD2 3.31Å; R456-D549 IonicContact NH1-OD2 3.67Å; R456-D549 PolarHBondContact NH1-OD2 2.77Å; R456-D549 VanDerWaalsContact NH2-N 3.1Å; R456-D549 IonicContact NH2-OD1 2.77Å; R456-D549 IonicContact NH2-OD2 3.99Å; R456-D549 PolarHBondContact NH2-OD2 3.11Å; R456-L625 HydrophobicContact CB-CD2 3.95Å
457	D	91.5	Very high	87.8	Confident	52 Å²	52	29 Å²	29	28%	0.278	15%	0.151	S	C	.	.	S	Bend	trans	-98.8	-7.6	174	56.4	11.6	0	0	0	112	N376 N453 N455 C523	N376-D457 PolarHBondContact ND2-OD1 3.1Å; N453-D457 PolarHBondContact ND2-OD1 2.82Å; N453-D457 PolarHBondContact OD1-N 2.82Å; N453-D457 VanDerWaalsContact OD1-N 3.15Å; N453-D457 PolarHBondContact OD1-OD1 2.05Å; N455-D457 PolarHBondContact O-N 2.63Å; D457-C523 WeakPolarHBondContact O-CB 3.36Å; D457-C523 PolarHBondContact O-N 2.84Å
458	S	92.5	Very high	89.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-147.1	160	179.1	71.7	0	0	0	0	113	N453 E507 S521	N453-S458 PolarHBondContact N-O 3.04Å; N453-S458 PolarHBondContact ND2-OG 3.22Å; N453-S458 PolarHBondContact OD1-N 2.92Å; N453-S458 PolarHBondContact OD1-O 2.86Å; S458-E507 WeakPolarHBondContact CB-OE2 3.24Å; S458-E507 VanDerWaalsContact OG-CG 3.31Å; S458-E507 WeakPolarHBondContact OG-CG 3.45Å; S458-E507 PolarHBondContact OG-OE1 3.16Å; S458-E507 PolarHBondContact OG-OE2 2.86Å; S458-S521 VanDerWaalsContact CA-O 3.3Å; S458-S521 WeakPolarHBondContact CA-O 3.47Å
459	L	92.3	Very high	90.2	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	144.5	164.5	-56.5	-179.1	0	0	0	110.4	F508 W510 S521 C547 A570	L459-F508 HydrophobicContact CB-CE1 3.9Å; L459-F508 HydrophobicContact CB-CZ 4.32Å; L459-W510 HydrophobicContact CD1-CH2 3.93Å; L459-W510 HydrophobicContact CD1-CZ2 4.09Å; L459-S521 PolarHBondContact N-O 3.24Å; L459-S521 WeakPolarHBondContact O-CB 3.21Å; L459-S521 PolarHBondContact O-OG 2.72Å; L459-C547 HydrophobicContact CD2-CB 4.43Å; L459-C547 WeakPolarHBondContact CD2-SG 3.42Å; L459-A570 HydrophobicContact CD2-CB 3.85Å
460	A	90.8	Very high	90.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.1	175.8	0	0	0	0	0	111.1	T450 S451 N453 L505 Q506	T450-A460 CarbonylContact C-O 3.5Å; T450-A460 WeakPolarHBondContact CA-O 3.44Å; S451-A460 PolarHBondContact N-O 3.48Å; S451-A460 PolarHBondContact O-N 3.24Å; N453-A460 HydrophobicContact CB-CB 4.47Å; A460-L505 HydrophobicContact CB-CB 3.94Å; A460-Q506 CarbonylContact C-O 3.01Å; A460-Q506 VanDerWaalsContact CA-O 3.25Å; A460-Q506 WeakPolarHBondContact CA-O 3.49Å
461	L	87.6	Confident	91.1	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.068	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151	173.8	62.7	82.9	0	0	0	110.4	M448 H463 L505 Q506 F508	M448-L461 HydrophobicContact CE-CD2 4.23Å; M448-L461 HydrophobicContact SD-CB 4.45Å; M448-L461 HydrophobicContact SD-CD2 3.64Å; L461-H463 HydrophobicContact CD1-CB 4.01Å; L461-H463 PolarHBondContact O-N 3.3Å; L461-L505 WeakPolarHBondContact O-CA 3.34Å; L461-Q506 PolarHBondContact N-O 2.86Å; L461-Q506 PolarHBondContact O-N 3.1Å; L461-F508 HydrophobicContact CB-CD1 4.28Å; L461-F508 HydrophobicContact CB-CE1 4.45Å; L461-F508 HydrophobicContact CD2-CB 3.7Å; L461-F508 HydrophobicContact CD2-CD1 3.56Å; L461-F508 HydrophobicContact CD2-CD2 3.95Å; L461-F508 HydrophobicContact CD2-CE1 4.13Å; L461-F508 HydrophobicContact CD2-CE2 4.44Å; L461-F508 HydrophobicContact CD2-CG 3.46Å; L461-F508 VanDerWaalsContact CD2-CG 3.46Å; L461-F508 HydrophobicContact CG-CB 4.26Å; L461-F508 HydrophobicContact CG-CD1 3.85Å; L461-F508 HydrophobicContact CG-CE1 4.47Å; L461-F508 HydrophobicContact CG-CG 4.16Å
462	C	90.4	Very high	91.1	Very high	7 Å²	7	39.4 Å²	39.4	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.8	170.5	-171.6	0	0	0	0	109.2	C436 E438 L464 L505	C436-C462 HydrophobicContact CB-CB 3.74Å; C436-C462 WeakPolarHBondContact CB-SG 3.01Å; C436-C462 WeakPolarHBondContact SG-CA 3.49Å; C436-C462 WeakPolarHBondContact SG-CB 3.39Å; C436-C462 CovalentContact SG-SG 2.02Å; C436-C462 PolarHBondContact SG-SG 2.9Å; E438-C462 HydrophobicContact CB-CB 3.98Å; E438-C462 WeakPolarHBondContact O-CB 2.98Å; E438-C462 PolarHBondContact O-SG 3.2Å; C462-L464 PolarHBondContact O-N 2.82Å; C462-L505 HydrophobicContact CB-CD2 3.93Å
463	H	88.8	Confident	91.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	24%	0.239	C	C	.	.			trans	-89.8	31.2	-176.8	66.2	-168.2	0	0	0	113.6	L461 V465 G494 S495 C502 P503 F504 Q506	L461-H463 HydrophobicContact CD1-CB 4.01Å; L461-H463 PolarHBondContact O-N 3.3Å; H463-V465 PolarHBondContact O-N 2.03Å; H463-G494 WeakPolarHBondContact O-CA 3.23Å; H463-S495 WeakPolarHBondContact CB-OG 3.3Å; H463-S495 PolarHBondContact O-N 3.02Å; H463-C502 PolarHBondContact NE2-O 3.32Å; H463-P503 WeakPolarHBondContact NE2-CA 3.31Å; H463-F504 PolarHBondContact CD2-N 3.12Å; H463-F504 PolarHBondContact CD2-O 3.24Å; H463-F504 AromaticContact CE1-CD1 3.4Å; H463-F504 VanDerWaalsContact CE1-CD1 3.4Å; H463-F504 WeakPolarHBondContact CE1-CD1 3.26Å; H463-F504 AromaticContact CE1-CD2 3.91Å; H463-F504 AromaticContact CE1-CE1 3.2Å; H463-F504 WeakPolarHBondContact CE1-CE1 3.4Å; H463-F504 AromaticContact CE1-CE2 3.72Å; H463-F504 AromaticContact CE1-CG 3.77Å; H463-F504 AromaticContact CE1-CZ 3.37Å; H463-F504 WeakPolarHBondContact CE1-CZ 3.47Å; H463-F504 PolarHBondContact N-O 3.45Å; H463-F504 AromaticContact NE2-CD1 3.37Å; H463-F504 WeakPolarHBondContact NE2-CD1 3.4Å; H463-F504 AromaticContact NE2-CE1 3.62Å; H463-F504 AromaticContact NE2-CG 3.77Å; H463-F504 PolarHBondContact NE2-N 3.21Å; H463-Q506 PolarHBondContact ND1-OE1 2.85Å
464	L	92.4	Very high	91.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	113.2	175.1	177.3	55.9	0	0	0	109.3	V439 K440 C462 F478 L481 P503	V439-L464 HydrophobicContact CG2-CD2 3.95Å; V439-L464 HydrophobicContact CG2-CG 4.36Å; K440-L464 VanDerWaalsContact CB-O 3.27Å; K440-L464 WeakPolarHBondContact CB-O 3.18Å; K440-L464 PolarHBondContact N-O 2.93Å; C462-L464 PolarHBondContact O-N 2.82Å; L464-F478 HydrophobicContact CD1-CE2 3.88Å; L464-F478 HydrophobicContact CD1-CZ 4.44Å; L464-F478 HydrophobicContact CD2-CE2 4.5Å; L464-F478 HydrophobicContact CD2-CZ 4.45Å; L464-L481 HydrophobicContact CD2-CD1 4.09Å; L464-L481 HydrophobicContact CD2-CD2 3.86Å; L464-P503 HydrophobicContact CB-CB 3.82Å; L464-P503 HydrophobicContact CD1-CB 4.14Å; L464-P503 HydrophobicContact CD1-CG 4.16Å; L464-P503 HydrophobicContact CG-CB 4.45Å
465	V	90.5	Very high	91.6	Very high	31 Å²	31	44.5 Å²	44.5	19%	0.188	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	162	-173.5	-62.7	0	0	0	0	111.8	K440 H463 Y467 Y492 G493	K440-V465 HydrophobicContact CB-CG1 4.29Å; K440-V465 HydrophobicContact CD-CG1 4Å; H463-V465 PolarHBondContact O-N 2.03Å; V465-Y467 HydrophobicContact CG2-CD2 4.19Å; V465-Y467 HydrophobicContact CG2-CE2 3.67Å; V465-Y492 WeakPolarHBondContact O-CA 3.42Å; V465-G493 PolarHBondContact N-O 2.88Å; V465-G493 PolarHBondContact O-N 2.75Å
466	E	92.6	Very high	92	Very high	74 Å²	74	43 Å²	43	35%	0.346	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.9	171.5	-175	-172.4	140.4	0	0	109.8	K442 K491 Y492	K442-E466 WeakPolarHBondContact CE-OE2 3.2Å; K442-E466 IonicContact NZ-OE1 3.27Å; K442-E466 PolarHBondContact NZ-OE1 3.49Å; K442-E466 IonicContact NZ-OE2 2.83Å; K442-E466 PolarHBondContact NZ-OE2 2.87Å; E466-K491 HydrophobicContact CG-CB 4.42Å; E466-Y492 HydrophobicContact CB-CD1 4.27Å; E466-Y492 HydrophobicContact CB-CE1 3.75Å; E466-Y492 HydrophobicContact CB-CE2 4.23Å; E466-Y492 HydrophobicContact CG-CE1 4.31Å; E466-Y492 HydrophobicContact CG-CE2 3.89Å; E466-Y492 PolarHBondContact OE2-OH 3.11Å
467	Y	92.5	Very high	92	Very high	47 Å²	47	41.9 Å²	41.9	18%	0.184	22%	0.222	C	C	.	.			trans	-88.4	159.1	172.5	-72	-98.9	0	0	0	111.1	V465 N469 L471 K491 G494 S495 F501	V465-Y467 HydrophobicContact CG2-CD2 4.19Å; V465-Y467 HydrophobicContact CG2-CE2 3.67Å; Y467-N469 VanDerWaalsContact C-N 3.32Å; Y467-N469 WeakPolarHBondContact CB-O 3.49Å; Y467-N469 PolarHBondContact O-N 2.85Å; Y467-L471 HydrophobicContact CD1-CD2 4.09Å; Y467-L471 HydrophobicContact CD2-CD1 4.24Å; Y467-L471 HydrophobicContact CD2-CD2 3.69Å; Y467-L471 HydrophobicContact CD2-CG 4.18Å; Y467-L471 HydrophobicContact CE1-CD2 4.3Å; Y467-L471 HydrophobicContact CE2-CD1 4.32Å; Y467-L471 HydrophobicContact CE2-CD2 3.91Å; Y467-L471 HydrophobicContact CG-CD2 3.78Å; Y467-K491 WeakPolarHBondContact CB-O 3.47Å; Y467-K491 WeakPolarHBondContact CD2-O 3.5Å; Y467-K491 PolarHBondContact N-O 3.31Å; Y467-G494 PolarHBondContact OH-O 3.28Å; Y467-S495 WeakPolarHBondContact OH-CA 3.06Å; Y467-F501 HydrophobicContact CE1-CD1 4.4Å; Y467-F501 AromaticContact CE1-CE1 3.92Å; Y467-F501 HydrophobicContact CE1-CE1 3.92Å; Y467-F501 HydrophobicContact CE2-CD1 4.02Å; Y467-F501 HydrophobicContact CE2-CE1 4.34Å; Y467-F501 AromaticContact CZ-CD1 3.69Å; Y467-F501 AromaticContact CZ-CE1 3.65Å; Y467-F501 WeakPolarHBondContact OH-CD1 3.01Å; Y467-F501 WeakPolarHBondContact OH-CE1 3.48Å
468	V	93	Very high	92	Very high	132 Å²	132	39.7 Å²	39.7	80%	0.8	21%	0.21	S	C	*	.	S	Bend	trans	-65.1	-39.1	179.3	178.6	0	0	0	0	111.6
469	N	94.8	Very high	91.9	Very high	124 Å²	124	43.6 Å²	43.6	66%	0.663	23%	0.231	S	C	*	.	S	Bend	trans	-119.1	162.7	-179.9	-58.2	-52.5	0	0	0	109.7	Y467 L471	Y467-N469 VanDerWaalsContact C-N 3.32Å; Y467-N469 WeakPolarHBondContact CB-O 3.49Å; Y467-N469 PolarHBondContact O-N 2.85Å; N469-L471 PolarHBondContact O-N 2.78Å
470	D	95.3	Very high	91.7	Very high	95 Å²	95	48.3 Å²	48.3	51%	0.508	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-57	138.5	171.7	-69.9	-17.9	0	0	0	110.5	K491	D470-K491 WeakPolarHBondContact OD1-CG 3.35Å
471	L	94.5	Very high	91.7	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.052	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66	155.1	173.3	-67.5	177	0	0	0	110.2	Y467 N469 E473 Q476 G490 F501	Y467-L471 HydrophobicContact CD1-CD2 4.09Å; Y467-L471 HydrophobicContact CD2-CD1 4.24Å; Y467-L471 HydrophobicContact CD2-CD2 3.69Å; Y467-L471 HydrophobicContact CD2-CG 4.18Å; Y467-L471 HydrophobicContact CE1-CD2 4.3Å; Y467-L471 HydrophobicContact CE2-CD1 4.32Å; Y467-L471 HydrophobicContact CE2-CD2 3.91Å; Y467-L471 HydrophobicContact CG-CD2 3.78Å; N469-L471 PolarHBondContact O-N 2.78Å; L471-E473 PolarHBondContact O-N 3.05Å; L471-Q476 HydrophobicContact CB-CG 4.16Å; L471-Q476 PolarHBondContact O-NE2 2.75Å; L471-G490 PolarHBondContact N-O 2.81Å; L471-F501 HydrophobicContact CD1-CB 4.18Å; L471-F501 HydrophobicContact CD1-CD1 4.07Å; L471-F501 HydrophobicContact CD1-CG 4.22Å; L471-F501 HydrophobicContact CD2-CD1 3.57Å; L471-F501 HydrophobicContact CD2-CE1 3.53Å; L471-F501 HydrophobicContact CD2-CG 4.24Å; L471-F501 HydrophobicContact CD2-CZ 4.16Å; L471-F501 HydrophobicContact CG-CD1 4.47Å
472	P	92.6	Very high	91.7	Very high	74 Å²	74	53.7 Å²	53.7	48%	0.481	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-53.3	142.3	171.6	-20.9	30.6	0	0	0	110.4	D474 Y475	P472-D474 PolarHBondContact O-N 3.2Å; P472-Y475 HydrophobicContact CB-CD2 3.79Å; P472-Y475 HydrophobicContact CB-CE2 4.2Å; P472-Y475 HydrophobicContact CG-CD2 3.95Å; P472-Y475 HydrophobicContact CG-CE2 4.35Å; P472-Y475 PolarHBondContact O-N 3.04Å
473	E	91.5	Very high	91.4	Very high	111 Å²	111	61.6 Å²	61.6	52%	0.519	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.8	-168.1	-60.9	-173.3	171.1	0	0	113.9	F313 R316 L471 Y475 Q476	F313-E473 HydrophobicContact CD2-CB 4.23Å; F313-E473 HydrophobicContact CD2-CG 4.36Å; F313-E473 HydrophobicContact CE2-CB 4.23Å; F313-E473 HydrophobicContact CE2-CG 4.1Å; R316-E473 IonicContact CZ-OE2 3.65Å; R316-E473 IonicContact NH1-OE2 3.49Å; R316-E473 PolarHBondContact NH1-OE2 3.41Å; R316-E473 VanDerWaalsContact NH2-CB 3.34Å; R316-E473 PolarHBondContact NH2-O 2.84Å; R316-E473 IonicContact NH2-OE2 3.51Å; L471-E473 PolarHBondContact O-N 3.05Å; E473-Y475 PolarHBondContact O-N 3.12Å; E473-Q476 PolarHBondContact O-N 3.22Å
474	D	89.8	Confident	91.5	Very high	51 Å²	51	62.2 Å²	62.2	27%	0.273	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-66	-18.7	177	-78.6	-1.4	0	0	0	113.4	W309 R316 H318 P472	W309-D474 PolarHBondContact NE1-O 3.44Å; R316-D474 IonicContact CZ-OD1 2.67Å; R316-D474 IonicContact NH1-OD1 2.88Å; H318-D474 IonicContact ND1-OD2 3.82Å; P472-D474 PolarHBondContact O-N 3.2Å
475	Y	92.4	Very high	91.5	Very high	31 Å²	31	66.9 Å²	66.9	12%	0.122	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-114.7	11.3	-176.3	-48.7	-62.1	0	0	0	112.9	Q349 P472 E473 Y477 D500 F501	Q349-Y475 PolarHBondContact NE2-OH 3.39Å; P472-Y475 HydrophobicContact CB-CD2 3.79Å; P472-Y475 HydrophobicContact CB-CE2 4.2Å; P472-Y475 HydrophobicContact CG-CD2 3.95Å; P472-Y475 HydrophobicContact CG-CE2 4.35Å; P472-Y475 PolarHBondContact O-N 3.04Å; E473-Y475 PolarHBondContact O-N 3.12Å; Y475-Y477 WeakPolarHBondContact CD1-OH 3.02Å; Y475-Y477 WeakPolarHBondContact O-CD2 3.2Å; Y475-Y477 WeakPolarHBondContact O-CE2 3.43Å; Y475-D500 HydrophobicContact CD1-CB 3.96Å; Y475-D500 HydrophobicContact CE1-CB 3.99Å; Y475-D500 WeakPolarHBondContact CE1-OD1 3.37Å; Y475-F501 HydrophobicContact CD1-CD2 4.25Å; Y475-F501 AromaticContact CD2-CD2 3.78Å; Y475-F501 HydrophobicContact CD2-CD2 3.78Å; Y475-F501 AromaticContact CD2-CE2 3.87Å; Y475-F501 HydrophobicContact CD2-CE2 3.87Å; Y475-F501 HydrophobicContact CE2-CE2 4.37Å; Y475-F501 AromaticContact CG-CD2 3.64Å; Y475-F501 HydrophobicContact CG-CD2 3.64Å; Y475-F501 HydrophobicContact CG-CE2 4.23Å
476	Q	94	Very high	91.5	Very high	11 Å²	11	68.8 Å²	68.8	5%	0.051	37%	0.365	C	S	.	.			trans	-90.9	104.7	173.2	-67.3	-170.5	27	0	0	110.9	R312 F313 L471 E473	R312-Q476 HydrophobicContact CB-CB 4.34Å; R312-Q476 PolarHBondContact N-O 3.25Å; F313-Q476 HydrophobicContact CE2-CB 4.5Å; F313-Q476 VanDerWaalsContact CE2-OE1 3.23Å; L471-Q476 HydrophobicContact CB-CG 4.16Å; L471-Q476 PolarHBondContact O-NE2 2.75Å; E473-Q476 PolarHBondContact O-N 3.22Å
477	Y	92	Very high	91.5	Very high	8 Å²	8	69 Å²	69	3%	0.031	37%	0.374	C	S	.	.			trans	-103.4	-11.8	-168.7	-58	-50.2	0	0	0	116.2	N417 C418 Y475 D500	N417-Y477 HydrophobicContact CB-CE1 4.23Å; C418-Y477 VanDerWaalsContact SG-CD2 3.59Å; C418-Y477 WeakPolarHBondContact SG-CE2 3.17Å; Y475-Y477 WeakPolarHBondContact CD1-OH 3.02Å; Y475-Y477 WeakPolarHBondContact O-CD2 3.2Å; Y475-Y477 WeakPolarHBondContact O-CE2 3.43Å; Y477-D500 WeakPolarHBondContact CE2-O 3.32Å; Y477-D500 VanDerWaalsContact CZ-O 3.27Å; Y477-D500 PolarHBondContact OH-O 3.5Å
478	F	92.1	Very high	91.6	Very high	7 Å²	7	70 Å²	70	3%	0.031	38%	0.381	C	S	.	.			trans	-115.1	132.2	-166.6	-60.4	-68.3	0	0	0	111.7	R312 I422 T437 L464 L481 V489 P503	R312-F478 VanDerWaalsContact CD-O 3.29Å; R312-F478 WeakPolarHBondContact CD-O 3.32Å; R312-F478 WeakPolarHBondContact CG-O 3Å; I422-F478 HydrophobicContact CD1-CE1 3.97Å; I422-F478 HydrophobicContact CD1-CZ 4.02Å; I422-F478 HydrophobicContact CG2-CE1 4.23Å; T437-F478 HydrophobicContact CG2-CE1 4.02Å; L464-F478 HydrophobicContact CD1-CE2 3.88Å; L464-F478 HydrophobicContact CD1-CZ 4.44Å; L464-F478 HydrophobicContact CD2-CE2 4.5Å; L464-F478 HydrophobicContact CD2-CZ 4.45Å; F478-L481 HydrophobicContact CB-CD1 4.32Å; F478-L481 HydrophobicContact CB-CD2 4.41Å; F478-L481 HydrophobicContact CB-CG 4.06Å; F478-L481 HydrophobicContact CD1-CD2 3.71Å; F478-L481 HydrophobicContact CD1-CG 4.28Å; F478-L481 HydrophobicContact CD2-CD1 4.07Å; F478-L481 HydrophobicContact CD2-CD2 4.37Å; F478-L481 HydrophobicContact CD2-CG 4.43Å; F478-L481 HydrophobicContact CE1-CD2 4.05Å; F478-L481 HydrophobicContact CG-CD1 4.13Å; F478-L481 HydrophobicContact CG-CD2 3.9Å; F478-L481 HydrophobicContact CG-CG 4Å; F478-V489 HydrophobicContact CB-CG1 3.31Å; F478-V489 WeakPolarHBondContact O-CG1 3.37Å; F478-P503 HydrophobicContact CE2-CG 4Å; F478-P503 HydrophobicContact CZ-CG 3.53Å
479	D	88.9	Confident	91.6	Very high	82 Å²	82	63.9 Å²	63.9	44%	0.439	34%	0.344	S	S	.	.	S	Bend	trans	-89.6	-30.1	166.1	-61.3	-47.4	0	0	0	111.8	R312	R312-D479 VanDerWaalsContact CG-OD1 3.26Å; R312-D479 WeakPolarHBondContact CG-OD1 3.46Å
480	H	89.1	Confident	91.6	Very high	105 Å²	105	58 Å²	58	49%	0.486	31%	0.313	S	S	.	.			trans	-150.5	135.5	-177.9	178.5	-72.6	0	0	0	110.9
481	L	91	Very high	91.6	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	30%	0.297	C	S	.	.			trans	-127.7	145	168.8	-71.2	173	0	0	0	109.4	V439 L464 F478 N483 V484 V489 Y492	V439-L481 HydrophobicContact CG2-CB 4.32Å; V439-L481 HydrophobicContact CG2-CD1 4.23Å; L464-L481 HydrophobicContact CD2-CD1 4.09Å; L464-L481 HydrophobicContact CD2-CD2 3.86Å; F478-L481 HydrophobicContact CB-CD1 4.32Å; F478-L481 HydrophobicContact CB-CD2 4.41Å; F478-L481 HydrophobicContact CB-CG 4.06Å; F478-L481 HydrophobicContact CD1-CD2 3.71Å; F478-L481 HydrophobicContact CD1-CG 4.28Å; F478-L481 HydrophobicContact CD2-CD1 4.07Å; F478-L481 HydrophobicContact CD2-CD2 4.37Å; F478-L481 HydrophobicContact CD2-CG 4.43Å; F478-L481 HydrophobicContact CE1-CD2 4.05Å; F478-L481 HydrophobicContact CG-CD1 4.13Å; F478-L481 HydrophobicContact CG-CD2 3.9Å; F478-L481 HydrophobicContact CG-CG 4Å; L481-N483 PolarHBondContact O-N 2.84Å; L481-V484 HydrophobicContact CB-CB 3.89Å; L481-V484 HydrophobicContact CB-CG2 3.82Å; L481-V484 PolarHBondContact O-N 3Å; L481-V489 HydrophobicContact CD1-CG1 4.35Å; L481-V489 HydrophobicContact CG-CG1 4.44Å; L481-Y492 HydrophobicContact CD1-CD1 4Å; L481-Y492 HydrophobicContact CD1-CG 3.76Å
482	N	86.7	Confident	91.6	Very high	123 Å²	123	56.1 Å²	56.1	66%	0.658	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	134.1	-179	-67.9	-12	0	0	0	110.4	V484	N482-V484 PolarHBondContact O-N 2.84Å
483	N	85.6	Confident	91.7	Very high	172 Å²	172	52.6 Å²	52.6	92%	0.92	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	20	-179.8	-51.8	-41.5	0	0	0	114.8	L481	L481-N483 PolarHBondContact O-N 2.84Å
484	V	90.5	Very high	91.8	Very high	16 Å²	16	47.3 Å²	47.3	10%	0.097	25%	0.251	C	S	.	.	S	Bend	trans	-115.9	132.9	174.8	179.2	0	0	0	0	108.3	V439 L481 N482 E488 V489 Y492	V439-V484 HydrophobicContact CG2-CG2 4.02Å; L481-V484 HydrophobicContact CB-CB 3.89Å; L481-V484 HydrophobicContact CB-CG2 3.82Å; L481-V484 PolarHBondContact O-N 3Å; N482-V484 PolarHBondContact O-N 2.84Å; V484-E488 HydrophobicContact CG1-CB 4.49Å; V484-V489 HydrophobicContact CG1-CG2 3.92Å; V484-Y492 HydrophobicContact CB-CE2 4.43Å; V484-Y492 HydrophobicContact CG1-CD2 3.84Å; V484-Y492 HydrophobicContact CG1-CE1 4.48Å; V484-Y492 HydrophobicContact CG1-CE2 3.33Å; V484-Y492 HydrophobicContact CG2-CD1 4.48Å; V484-Y492 HydrophobicContact CG2-CE1 3.86Å; V484-Y492 HydrophobicContact CG2-CE2 4.19Å
485	D	91.7	Very high	91.8	Very high	97 Å²	97	46.5 Å²	46.5	52%	0.519	25%	0.249	S	C	.	.			trans	-60.8	127.7	173.8	-171.4	-49.5	0	0	0	109.4	S487 E488 V489	D485-S487 PolarHBondContact O-N 3.5Å; D485-S487 WeakPolarHBondContact OD1-CB 3.4Å; D485-S487 PolarHBondContact OD1-N 3.04Å; D485-S487 PolarHBondContact OD1-OG 2.87Å; D485-E488 HydrophobicContact CB-CB 4.34Å; D485-E488 HydrophobicContact CB-CG 4.13Å; D485-E488 PolarHBondContact O-N 3.41Å; D485-V489 WeakPolarHBondContact O-CG2 3.17Å; D485-V489 PolarHBondContact O-N 3.48Å
486	P	91.7	Very high	91.6	Very high	71 Å²	71	45.1 Å²	45.1	46%	0.461	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-30	176.6	-29.5	36.6	0	0	0	114.9	R312 E488	R312-P486 PolarHBondContact NH2-O 2.72Å; P486-E488 VanDerWaalsContact C-N 3.29Å; P486-E488 PolarHBondContact O-N 2.83Å
487	S	92.2	Very high	91.3	Very high	78 Å²	78	49.7 Å²	49.7	55%	0.545	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.4	176.7	61.1	0	0	0	0	113.5	D485	D485-S487 PolarHBondContact O-N 3.5Å; D485-S487 WeakPolarHBondContact OD1-CB 3.4Å; D485-S487 PolarHBondContact OD1-N 3.04Å; D485-S487 PolarHBondContact OD1-OG 2.87Å
488	E	93.8	Very high	91.1	Very high	70 Å²	70	49.4 Å²	49.4	33%	0.327	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-7.2	-175.1	-66	-72.8	122.8	0	0	112.9	V484 D485 P486 G490 K491 Y492	V484-E488 HydrophobicContact CG1-CB 4.49Å; D485-E488 HydrophobicContact CB-CB 4.34Å; D485-E488 HydrophobicContact CB-CG 4.13Å; D485-E488 PolarHBondContact O-N 3.41Å; P486-E488 VanDerWaalsContact C-N 3.29Å; P486-E488 PolarHBondContact O-N 2.83Å; E488-G490 PolarHBondContact O-N 3.34Å; E488-G490 VanDerWaalsContact O-N 3.08Å; E488-K491 VanDerWaalsContact CD-NZ 3.31Å; E488-K491 WeakPolarHBondContact O-CB 3.13Å; E488-K491 PolarHBondContact O-N 3.4Å; E488-K491 IonicContact OE1-NZ 3.22Å; E488-K491 PolarHBondContact OE1-NZ 2.95Å; E488-K491 WeakPolarHBondContact OE2-CD 3.48Å; E488-K491 WeakPolarHBondContact OE2-CE 3.24Å; E488-K491 IonicContact OE2-NZ 2.66Å; E488-K491 PolarHBondContact OE2-NZ 2.75Å; E488-Y492 WeakPolarHBondContact O-CD2 3.49Å
489	V	94.1	Very high	91.1	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.8	-26.2	-175.8	179	0	0	0	0	112.8	F478 L481 V484 D485 K491 Y492	F478-V489 HydrophobicContact CB-CG1 3.31Å; F478-V489 WeakPolarHBondContact O-CG1 3.37Å; L481-V489 HydrophobicContact CD1-CG1 4.35Å; L481-V489 HydrophobicContact CG-CG1 4.44Å; V484-V489 HydrophobicContact CG1-CG2 3.92Å; D485-V489 WeakPolarHBondContact O-CG2 3.17Å; D485-V489 PolarHBondContact O-N 3.48Å; V489-K491 PolarHBondContact O-N 3.18Å; V489-K491 VanDerWaalsContact O-N 3.14Å; V489-Y492 PolarHBondContact O-N 3.39Å; V489-Y492 VanDerWaalsContact O-N 3.08Å
490	G	94.6	Very high	91.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-61.5	-18	175.5	0	0	0	0	0	114.4	L471 E488	L471-G490 PolarHBondContact N-O 2.81Å; E488-G490 PolarHBondContact O-N 3.34Å; E488-G490 VanDerWaalsContact O-N 3.08Å
491	K	95.3	Very high	91.5	Very high	42 Å²	42	41 Å²	41	18%	0.183	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-86.4	-4.6	176.9	-56.9	-177.3	-176.8	167.9	0	113.7	E466 Y467 D470 E488 V489	E466-K491 HydrophobicContact CG-CB 4.42Å; Y467-K491 WeakPolarHBondContact CB-O 3.47Å; Y467-K491 WeakPolarHBondContact CD2-O 3.5Å; Y467-K491 PolarHBondContact N-O 3.31Å; D470-K491 WeakPolarHBondContact OD1-CG 3.35Å; E488-K491 VanDerWaalsContact CD-NZ 3.31Å; E488-K491 WeakPolarHBondContact O-CB 3.13Å; E488-K491 PolarHBondContact O-N 3.4Å; E488-K491 IonicContact OE1-NZ 3.22Å; E488-K491 PolarHBondContact OE1-NZ 2.95Å; E488-K491 WeakPolarHBondContact OE2-CD 3.48Å; E488-K491 WeakPolarHBondContact OE2-CE 3.24Å; E488-K491 IonicContact OE2-NZ 2.66Å; E488-K491 PolarHBondContact OE2-NZ 2.75Å; V489-K491 PolarHBondContact O-N 3.18Å; V489-K491 VanDerWaalsContact O-N 3.14Å
492	Y	94.9	Very high	91.7	Very high	22 Å²	22	40.9 Å²	40.9	9%	0.086	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.8	-171.8	-73.9	-101.4	0	0	0	112.2	V439 V465 E466 L481 V484 E488 V489	V439-Y492 HydrophobicContact CG1-CD1 4.21Å; V439-Y492 HydrophobicContact CG1-CE1 3.67Å; V439-Y492 HydrophobicContact CG2-CD1 4.32Å; V439-Y492 HydrophobicContact CG2-CE1 4.3Å; V465-Y492 WeakPolarHBondContact O-CA 3.42Å; E466-Y492 HydrophobicContact CB-CD1 4.27Å; E466-Y492 HydrophobicContact CB-CE1 3.75Å; E466-Y492 HydrophobicContact CB-CE2 4.23Å; E466-Y492 HydrophobicContact CG-CE1 4.31Å; E466-Y492 HydrophobicContact CG-CE2 3.89Å; E466-Y492 PolarHBondContact OE2-OH 3.11Å; L481-Y492 HydrophobicContact CD1-CD1 4Å; L481-Y492 HydrophobicContact CD1-CG 3.76Å; V484-Y492 HydrophobicContact CB-CE2 4.43Å; V484-Y492 HydrophobicContact CG1-CD2 3.84Å; V484-Y492 HydrophobicContact CG1-CE1 4.48Å; V484-Y492 HydrophobicContact CG1-CE2 3.33Å; V484-Y492 HydrophobicContact CG2-CD1 4.48Å; V484-Y492 HydrophobicContact CG2-CE1 3.86Å; V484-Y492 HydrophobicContact CG2-CE2 4.19Å; E488-Y492 WeakPolarHBondContact O-CD2 3.49Å; V489-Y492 PolarHBondContact O-N 3.39Å; V489-Y492 VanDerWaalsContact O-N 3.08Å
493	G	94.5	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	174.5	174.6	0	0	0	0	0	111.8	V465	V465-G493 PolarHBondContact N-O 2.88Å; V465-G493 PolarHBondContact O-N 2.75Å
494	G	92.9	Very high	92.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	144.2	171.2	0	0	0	0	0	111.2	H463 Y467 V496 F501	H463-G494 WeakPolarHBondContact O-CA 3.23Å; Y467-G494 PolarHBondContact OH-O 3.28Å; G494-V496 PolarHBondContact O-N 3.39Å; G494-F501 PolarHBondContact N-O 2.87Å
495	S	89.2	Confident	92.4	Very high	34 Å²	34	27.5 Å²	27.5	24%	0.238	15%	0.15	C	C	.	.	S	Bend	trans	-75.4	-11.3	179.5	67.1	0	0	0	0	114	H463 Y467 E497	H463-S495 WeakPolarHBondContact CB-OG 3.3Å; H463-S495 PolarHBondContact O-N 3.02Å; Y467-S495 WeakPolarHBondContact OH-CA 3.06Å; S495-E497 PolarHBondContact O-N 3.26Å
496	V	88.4	Confident	92.1	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	13%	0.129	C	C	.	.			trans	-92.8	98.3	177	-178.4	0	0	0	0	108	K361 G494 I498 A499 F504	K361-V496 HydrophobicContact CD-CG1 3.84Å; G494-V496 PolarHBondContact O-N 3.39Å; V496-I498 HydrophobicContact CG1-CG1 4.04Å; V496-I498 PolarHBondContact O-N 3.06Å; V496-A499 HydrophobicContact CB-CB 4.23Å; V496-A499 HydrophobicContact CG1-CB 3.97Å; V496-A499 PolarHBondContact O-N 3.19Å; V496-A499 VanDerWaalsContact O-N 3.12Å; V496-F504 HydrophobicContact CG2-CZ 4.42Å
497	E	88.2	Confident	92	Very high	107 Å²	107	21.2 Å²	21.2	50%	0.5	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-56.9	-48.4	-173.7	-59.6	-170.9	171.1	0	0	111.7	Q349 S495 A499 D500 F501	Q349-E497 PolarHBondContact OE1-O 2.98Å; S495-E497 PolarHBondContact O-N 3.26Å; E497-A499 PolarHBondContact O-N 2.89Å; E497-D500 PolarHBondContact O-N 2.76Å; E497-D500 VanDerWaalsContact O-N 3.1Å; E497-F501 HydrophobicContact CB-CE1 4.17Å; E497-F501 HydrophobicContact CB-CE2 4.47Å; E497-F501 HydrophobicContact CB-CZ 3.97Å; E497-F501 HydrophobicContact CG-CE1 3.75Å; E497-F501 HydrophobicContact CG-CZ 3.88Å; E497-F501 PolarHBondContact O-N 3.46Å
498	I	87.9	Confident	91.6	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.015	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-68.4	-0.1	-178.7	68.5	156.4	0	0	0	114.7	Q349 K361 T372 V496 D500	Q349-I498 HydrophobicContact CB-CG2 4.3Å; K361-I498 HydrophobicContact CB-CD1 4.16Å; K361-I498 HydrophobicContact CB-CG1 4.26Å; K361-I498 WeakPolarHBondContact CB-O 3.25Å; K361-I498 HydrophobicContact CD-CD1 3.82Å; K361-I498 HydrophobicContact CD-CG1 3.9Å; T372-I498 HydrophobicContact CG2-CD1 3.49Å; T372-I498 VanDerWaalsContact CG2-CD1 3.49Å; T372-I498 HydrophobicContact CG2-CG1 3.97Å; V496-I498 HydrophobicContact CG1-CG1 4.04Å; V496-I498 PolarHBondContact O-N 3.06Å; I498-D500 VanDerWaalsContact C-N 3.25Å
499	A	91.8	Very high	91	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-97.9	32.4	168.5	0	0	0	0	0	110.3	K361 V496 E497 F501 C502 F504	K361-A499 HydrophobicContact CB-CB 4.3Å; K361-A499 HydrophobicContact CG-CB 4.33Å; V496-A499 HydrophobicContact CB-CB 4.23Å; V496-A499 HydrophobicContact CG1-CB 3.97Å; V496-A499 PolarHBondContact O-N 3.19Å; V496-A499 VanDerWaalsContact O-N 3.12Å; E497-A499 PolarHBondContact O-N 2.89Å; A499-F501 PolarHBondContact O-N 2.8Å; A499-C502 WeakPolarHBondContact O-CB 3.43Å; A499-C502 PolarHBondContact O-N 2.88Å; A499-F504 HydrophobicContact CB-CE1 3.78Å
500	D	92.9	Very high	90.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	33	-172.7	-69.1	-40.8	0	0	0	113.3	Q349 R362 Y475 Y477 E497 I498 C502	Q349-D500 PolarHBondContact OE1-OD1 2.84Å; R362-D500 IonicContact CZ-OD2 2.68Å; R362-D500 IonicContact NE-OD2 2.76Å; R362-D500 PolarHBondContact NE-OD2 2.82Å; R362-D500 IonicContact NH2-OD2 3.56Å; R362-D500 PolarHBondContact NH2-OD2 2.73Å; Y475-D500 HydrophobicContact CD1-CB 3.96Å; Y475-D500 HydrophobicContact CE1-CB 3.99Å; Y475-D500 WeakPolarHBondContact CE1-OD1 3.37Å; Y477-D500 WeakPolarHBondContact CE2-O 3.32Å; Y477-D500 VanDerWaalsContact CZ-O 3.27Å; Y477-D500 PolarHBondContact OH-O 3.5Å; E497-D500 PolarHBondContact O-N 2.76Å; E497-D500 VanDerWaalsContact O-N 3.1Å; I498-D500 VanDerWaalsContact C-N 3.25Å; D500-C502 PolarHBondContact O-N 2.8Å
501	F	93.5	Very high	89.1	Confident	18 Å²	18	23.1 Å²	23.1	8%	0.079	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	23.4	-171.1	-56.9	-94.9	0	0	0	114	Y467 L471 Y475 G494 E497 A499 P503	Y467-F501 HydrophobicContact CE1-CD1 4.4Å; Y467-F501 AromaticContact CE1-CE1 3.92Å; Y467-F501 HydrophobicContact CE1-CE1 3.92Å; Y467-F501 HydrophobicContact CE2-CD1 4.02Å; Y467-F501 HydrophobicContact CE2-CE1 4.34Å; Y467-F501 AromaticContact CZ-CD1 3.69Å; Y467-F501 AromaticContact CZ-CE1 3.65Å; Y467-F501 WeakPolarHBondContact OH-CD1 3.01Å; Y467-F501 WeakPolarHBondContact OH-CE1 3.48Å; L471-F501 HydrophobicContact CD1-CB 4.18Å; L471-F501 HydrophobicContact CD1-CD1 4.07Å; L471-F501 HydrophobicContact CD1-CG 4.22Å; L471-F501 HydrophobicContact CD2-CD1 3.57Å; L471-F501 HydrophobicContact CD2-CE1 3.53Å; L471-F501 HydrophobicContact CD2-CG 4.24Å; L471-F501 HydrophobicContact CD2-CZ 4.16Å; L471-F501 HydrophobicContact CG-CD1 4.47Å; Y475-F501 HydrophobicContact CD1-CD2 4.25Å; Y475-F501 AromaticContact CD2-CD2 3.78Å; Y475-F501 HydrophobicContact CD2-CD2 3.78Å; Y475-F501 AromaticContact CD2-CE2 3.87Å; Y475-F501 HydrophobicContact CD2-CE2 3.87Å; Y475-F501 HydrophobicContact CE2-CE2 4.37Å; Y475-F501 AromaticContact CG-CD2 3.64Å; Y475-F501 HydrophobicContact CG-CD2 3.64Å; Y475-F501 HydrophobicContact CG-CE2 4.23Å; G494-F501 PolarHBondContact N-O 2.87Å; E497-F501 HydrophobicContact CB-CE1 4.17Å; E497-F501 HydrophobicContact CB-CE2 4.47Å; E497-F501 HydrophobicContact CB-CZ 3.97Å; E497-F501 HydrophobicContact CG-CE1 3.75Å; E497-F501 HydrophobicContact CG-CZ 3.88Å; E497-F501 PolarHBondContact O-N 3.46Å; A499-F501 PolarHBondContact O-N 2.8Å; F501-P503 WeakPolarHBondContact O-CD 3.45Å
502	C	95.1	Very high	87.7	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.126	C	C	.	.			trans	-75.1	124.9	176.3	-74.3	0	0	0	0	110.5	R362 C418 Y435 H463 A499 D500 F504	R362-C502 WeakPolarHBondContact CD-SG 3.27Å; R362-C502 HydrophobicContact CG-CB 4.41Å; C418-C502 HydrophobicContact CB-CB 3.55Å; C418-C502 WeakPolarHBondContact CB-SG 3.3Å; C418-C502 WeakPolarHBondContact SG-CA 3.16Å; C418-C502 WeakPolarHBondContact SG-CB 3.2Å; C418-C502 CovalentContact SG-SG 2.02Å; C418-C502 PolarHBondContact SG-SG 3.33Å; Y435-C502 HydrophobicContact CD1-CB 4.05Å; Y435-C502 HydrophobicContact CE1-CB 3.63Å; H463-C502 PolarHBondContact NE2-O 3.32Å; A499-C502 WeakPolarHBondContact O-CB 3.43Å; A499-C502 PolarHBondContact O-N 2.88Å; D500-C502 PolarHBondContact O-N 2.8Å; C502-F504 VanDerWaalsContact O-CD1 3.32Å; C502-F504 WeakPolarHBondContact O-CD1 3.43Å
503	P	94.5	Very high	86.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.			trans	-81.3	126.1	179	28.3	-29.4	0	0	0	111.9	I422 Y435 C436 H463 L464 F478 F501	I422-P503 HydrophobicContact CD1-CG 4.37Å; Y435-P503 CarbonylContact C-O 3.56Å; Y435-P503 VanDerWaalsContact CA-O 3.27Å; Y435-P503 WeakPolarHBondContact CA-O 3.34Å; Y435-P503 WeakPolarHBondContact CB-O 3.24Å; Y435-P503 WeakPolarHBondContact CD1-O 3.16Å; C436-P503 PolarHBondContact N-O 2.75Å; C436-P503 WeakPolarHBondContact O-CG 3.4Å; H463-P503 WeakPolarHBondContact NE2-CA 3.31Å; L464-P503 HydrophobicContact CB-CB 3.82Å; L464-P503 HydrophobicContact CD1-CB 4.14Å; L464-P503 HydrophobicContact CD1-CG 4.16Å; L464-P503 HydrophobicContact CG-CB 4.45Å; F478-P503 HydrophobicContact CE2-CG 4Å; F478-P503 HydrophobicContact CZ-CG 3.53Å; F501-P503 WeakPolarHBondContact O-CD 3.45Å
504	F	92.6	Very high	84.4	Confident	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-135.3	169.4	174.9	59.8	-93.6	0	0	0	112.6	E365 W405 P434 Y435 C436 H463 V496 A499 C502 Q506	E365-F504 HydrophobicContact CG-CD2 3.99Å; E365-F504 HydrophobicContact CG-CE1 4.33Å; E365-F504 HydrophobicContact CG-CE2 3.43Å; E365-F504 VanDerWaalsContact CG-CE2 3.43Å; E365-F504 HydrophobicContact CG-CZ 3.62Å; E365-F504 WeakPolarHBondContact OE1-CE2 3.22Å; W405-F504 HydrophobicContact CH2-CB 3.5Å; W405-F504 HydrophobicContact CH2-CD1 4.18Å; W405-F504 HydrophobicContact CH2-CD2 4.12Å; W405-F504 AromaticContact CH2-CG 3.71Å; W405-F504 HydrophobicContact CH2-CG 3.71Å; W405-F504 HydrophobicContact CZ3-CB 3.96Å; W405-F504 HydrophobicContact CZ3-CD2 4.06Å; W405-F504 HydrophobicContact CZ3-CG 4.1Å; P434-F504 WeakPolarHBondContact O-CB 3.24Å; Y435-F504 HydrophobicContact CD1-CB 4.11Å; C436-F504 VanDerWaalsContact SG-CA 3.55Å; C436-F504 PolarHBondContact SG-O 2.04Å; C436-F504 VanDerWaalsContact SG-O 3.39Å; H463-F504 PolarHBondContact CD2-N 3.12Å; H463-F504 PolarHBondContact CD2-O 3.24Å; H463-F504 AromaticContact CE1-CD1 3.4Å; H463-F504 VanDerWaalsContact CE1-CD1 3.4Å; H463-F504 WeakPolarHBondContact CE1-CD1 3.26Å; H463-F504 AromaticContact CE1-CD2 3.91Å; H463-F504 AromaticContact CE1-CE1 3.2Å; H463-F504 WeakPolarHBondContact CE1-CE1 3.4Å; H463-F504 AromaticContact CE1-CE2 3.72Å; H463-F504 AromaticContact CE1-CG 3.77Å; H463-F504 AromaticContact CE1-CZ 3.37Å; H463-F504 WeakPolarHBondContact CE1-CZ 3.47Å; H463-F504 PolarHBondContact N-O 3.45Å; H463-F504 AromaticContact NE2-CD1 3.37Å; H463-F504 WeakPolarHBondContact NE2-CD1 3.4Å; H463-F504 AromaticContact NE2-CE1 3.62Å; H463-F504 AromaticContact NE2-CG 3.77Å; H463-F504 PolarHBondContact NE2-N 3.21Å; V496-F504 HydrophobicContact CG2-CZ 4.42Å; A499-F504 HydrophobicContact CB-CE1 3.78Å; C502-F504 VanDerWaalsContact O-CD1 3.32Å; C502-F504 WeakPolarHBondContact O-CD1 3.43Å; F504-Q506 HydrophobicContact CD2-CB 4.12Å; F504-Q506 HydrophobicContact CE2-CB 3.86Å; F504-Q506 HydrophobicContact CE2-CG 3.87Å; F504-Q506 PolarHBondContact O-N 3.39Å
505	L	90.1	Very high	83	Confident	28 Å²	28	41.2 Å²	41.2	15%	0.147	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	108.8	173.8	-70.2	-174.3	0	0	0	109.1	W433 P434 C436 A460 L461 C462	W433-L505 HydrophobicContact CE3-CD1 3.73Å; W433-L505 HydrophobicContact CE3-CG 4.44Å; W433-L505 HydrophobicContact CZ3-CB 3.88Å; W433-L505 HydrophobicContact CZ3-CD1 3.41Å; W433-L505 VanDerWaalsContact CZ3-CD1 3.41Å; W433-L505 HydrophobicContact CZ3-CG 4.05Å; P434-L505 PolarHBondContact O-N 2.81Å; C436-L505 HydrophobicContact CB-CD2 4.09Å; C436-L505 HydrophobicContact CB-CG 4.24Å; A460-L505 HydrophobicContact CB-CB 3.94Å; L461-L505 WeakPolarHBondContact O-CA 3.34Å; C462-L505 HydrophobicContact CB-CD2 3.93Å
506	Q	86.5	Confident	81.9	Confident	18 Å²	18	44.5 Å²	44.5	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.6	-175.2	-164.8	-172.2	11.8	0	0	111.2	A460 L461 H463 F504	A460-Q506 CarbonylContact C-O 3.01Å; A460-Q506 VanDerWaalsContact CA-O 3.25Å; A460-Q506 WeakPolarHBondContact CA-O 3.49Å; L461-Q506 PolarHBondContact N-O 2.86Å; L461-Q506 PolarHBondContact O-N 3.1Å; H463-Q506 PolarHBondContact ND1-OE1 2.85Å; F504-Q506 HydrophobicContact CD2-CB 4.12Å; F504-Q506 HydrophobicContact CE2-CB 3.86Å; F504-Q506 HydrophobicContact CE2-CG 3.87Å; F504-Q506 PolarHBondContact O-N 3.39Å
507	E	88.2	Confident	81.1	Confident	19 Å²	19	49.6 Å²	49.6	9%	0.089	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	151.5	167.9	-51.2	-166.7	-176.6	0	0	110.9	Q375 N376 N453 S458 S521	Q375-E507 HydrophobicContact CB-CB 4.12Å; Q375-E507 WeakPolarHBondContact CB-OE2 3.36Å; Q375-E507 HydrophobicContact CG-CB 4.39Å; Q375-E507 PolarHBondContact OE1-OE2 3.04Å; Q375-E507 VanDerWaalsContact OE1-OE2 3.05Å; N376-E507 PolarHBondContact ND2-OE1 3.09Å; N376-E507 PolarHBondContact ND2-OE2 3.23Å; N376-E507 VanDerWaalsContact ND2-OE2 3.08Å; N453-E507 PolarHBondContact ND2-OE1 3.22Å; S458-E507 WeakPolarHBondContact CB-OE2 3.24Å; S458-E507 VanDerWaalsContact OG-CG 3.31Å; S458-E507 WeakPolarHBondContact OG-CG 3.45Å; S458-E507 PolarHBondContact OG-OE1 3.16Å; S458-E507 PolarHBondContact OG-OE2 2.86Å; E507-S521 WeakPolarHBondContact CB-OG 3.42Å
508	F	84.3	Confident	80.6	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.035	23%	0.225	C	C	.	.			trans	-145.3	175.3	-169.1	66	-85	0	0	0	113.5	Q375 W445 M448 T450 L459 L461 W510 S521	Q375-F508 PolarHBondContact NE2-O 2.8Å; Q375-F508 VanDerWaalsContact NE2-O 3.1Å; W445-F508 HydrophobicContact CZ3-CD2 4.48Å; W445-F508 HydrophobicContact CZ3-CE2 4.11Å; M448-F508 HydrophobicContact CE-CE2 3.85Å; M448-F508 HydrophobicContact CE-CZ 4Å; T450-F508 HydrophobicContact CG2-CE1 4.19Å; T450-F508 HydrophobicContact CG2-CZ 4.01Å; L459-F508 HydrophobicContact CB-CE1 3.9Å; L459-F508 HydrophobicContact CB-CZ 4.32Å; L461-F508 HydrophobicContact CB-CD1 4.28Å; L461-F508 HydrophobicContact CB-CE1 4.45Å; L461-F508 HydrophobicContact CD2-CB 3.7Å; L461-F508 HydrophobicContact CD2-CD1 3.56Å; L461-F508 HydrophobicContact CD2-CD2 3.95Å; L461-F508 HydrophobicContact CD2-CE1 4.13Å; L461-F508 HydrophobicContact CD2-CE2 4.44Å; L461-F508 HydrophobicContact CD2-CG 3.46Å; L461-F508 VanDerWaalsContact CD2-CG 3.46Å; L461-F508 HydrophobicContact CG-CB 4.26Å; L461-F508 HydrophobicContact CG-CD1 3.85Å; L461-F508 HydrophobicContact CG-CE1 4.47Å; L461-F508 HydrophobicContact CG-CG 4.16Å; F508-W510 HydrophobicContact CD2-CZ2 4.44Å; F508-W510 AromaticContact CE2-CD2 3.95Å; F508-W510 HydrophobicContact CE2-CD2 3.95Å; F508-W510 AromaticContact CE2-CE2 3.31Å; F508-W510 HydrophobicContact CE2-CH2 4.07Å; F508-W510 AromaticContact CE2-CZ2 3.34Å; F508-W510 HydrophobicContact CE2-CZ2 3.34Å; F508-W510 AromaticContact CE2-NE1 3.58Å; F508-W510 AromaticContact CZ-CE2 3.89Å; F508-W510 HydrophobicContact CZ-CH2 4.04Å; F508-W510 AromaticContact CZ-CZ2 3.41Å; F508-W510 HydrophobicContact CZ-CZ2 3.41Å; F508-W510 VanDerWaalsContact CZ-CZ2 3.41Å; F508-S521 PolarHBondContact N-OG 2.96Å; F508-S521 WeakPolarHBondContact O-CB 3.03Å; F508-S521 PolarHBondContact O-N 2.86Å; F508-S521 PolarHBondContact O-OG 2.91Å
509	E	82.2	Confident	80.4	Confident	42 Å²	42	49 Å²	49	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.8	178.8	-65	174.9	-169.4	0	0	111	R511 Y518 K519 D520	E509-R511 IonicContact OE2-CZ 3.31Å; E509-R511 VanDerWaalsContact OE2-CZ 3.27Å; E509-R511 IonicContact OE2-NE 3.12Å; E509-R511 PolarHBondContact OE2-NE 3.29Å; E509-R511 IonicContact OE2-NH2 3.03Å; E509-R511 PolarHBondContact OE2-NH2 3.44Å; E509-Y518 HydrophobicContact CB-CD2 3.93Å; E509-Y518 HydrophobicContact CB-CE2 4.46Å; E509-Y518 HydrophobicContact CG-CD2 3.71Å; E509-Y518 HydrophobicContact CG-CE2 3.74Å; E509-Y518 WeakPolarHBondContact OE2-CD2 3.18Å; E509-K519 CarbonylContact C-O 3.48Å; E509-K519 VanDerWaalsContact CA-O 3.29Å; E509-K519 WeakPolarHBondContact CA-O 3.19Å; E509-D520 HydrophobicContact CG-CB 4.3Å
510	W	76.7	Confident	80.2	Confident	59 Å²	59	49.1 Å²	49.1	22%	0.223	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.2	166.9	-62.5	-89.5	0	0	0	110.3	W445 L459 F508 Y518 K519 D520	W445-W510 AromaticContact CE3-CD1 3.84Å; W445-W510 HydrophobicContact CH2-CB 4.41Å; W445-W510 AromaticContact CH2-CD1 3.41Å; W445-W510 VanDerWaalsContact CH2-CD1 3.41Å; W445-W510 HydrophobicContact CH2-CG 4.07Å; W445-W510 AromaticContact CZ3-CD1 3.14Å; W445-W510 HydrophobicContact CZ3-CG 4.13Å; W445-W510 AromaticContact CZ3-NE1 3.4Å; L459-W510 HydrophobicContact CD1-CH2 3.93Å; L459-W510 HydrophobicContact CD1-CZ2 4.09Å; F508-W510 HydrophobicContact CD2-CZ2 4.44Å; F508-W510 AromaticContact CE2-CD2 3.95Å; F508-W510 HydrophobicContact CE2-CD2 3.95Å; F508-W510 AromaticContact CE2-CE2 3.31Å; F508-W510 HydrophobicContact CE2-CH2 4.07Å; F508-W510 AromaticContact CE2-CZ2 3.34Å; F508-W510 HydrophobicContact CE2-CZ2 3.34Å; F508-W510 AromaticContact CE2-NE1 3.58Å; F508-W510 AromaticContact CZ-CE2 3.89Å; F508-W510 HydrophobicContact CZ-CH2 4.04Å; F508-W510 AromaticContact CZ-CZ2 3.41Å; F508-W510 HydrophobicContact CZ-CZ2 3.41Å; F508-W510 VanDerWaalsContact CZ-CZ2 3.41Å; W510-Y518 CarbonylContact O-C 3.56Å; W510-Y518 WeakPolarHBondContact O-CA 3.12Å; W510-Y518 WeakPolarHBondContact O-CB 3.48Å; W510-K519 HydrophobicContact CB-CB 4.37Å; W510-K519 HydrophobicContact CE3-CB 3.82Å; W510-K519 PolarHBondContact N-O 2.7Å; W510-K519 PolarHBondContact O-N 3.36Å; W510-D520 VanDerWaalsContact CZ3-C 3.41Å; W510-D520 WeakPolarHBondContact CZ3-O 3.1Å
511	R	71.2	Confident	80.1	Confident	82 Å²	82	49.1 Å²	49.1	31%	0.309	24%	0.237	S	C	.	.			trans	-116.9	126.3	172.7	-68.5	-179.9	-179.1	-137.2	2.1	109.6	E509 G513	E509-R511 IonicContact OE2-CZ 3.31Å; E509-R511 VanDerWaalsContact OE2-CZ 3.27Å; E509-R511 IonicContact OE2-NE 3.12Å; E509-R511 PolarHBondContact OE2-NE 3.29Å; E509-R511 IonicContact OE2-NH2 3.03Å; E509-R511 PolarHBondContact OE2-NH2 3.44Å; R511-G513 VanDerWaalsContact C-N 3.35Å
512	K	66.3	Low	80	Confident	145 Å²	145	48.7 Å²	48.7	63%	0.63	24%	0.235	S	C	*	.	S	Bend	trans	-73.6	-30.9	169.8	-75.6	180	-178.7	176	0	111.6	E516	K512-E516 HydrophobicContact CB-CB 4.29Å; K512-E516 WeakPolarHBondContact CB-OE2 3.35Å; K512-E516 VanDerWaalsContact CD-OE2 3.27Å; K512-E516 WeakPolarHBondContact CD-OE2 3.43Å
513	G	62.4	Low	80	Confident	19 Å²	19	48.7 Å²	48.7	20%	0.196	24%	0.235	C	C	.	.	S	Bend	trans	-166.5	175.2	175.8	0	0	0	0	0	111.8	R511 F515 E516	R511-G513 VanDerWaalsContact C-N 3.35Å; G513-F515 VanDerWaalsContact C-N 3.27Å; G513-F515 PolarHBondContact O-N 3.34Å; G513-E516 PolarHBondContact O-N 2.81Å
514	P	58.4	Low	80	Confident	82 Å²	82	50.2 Å²	50.2	53%	0.532	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.3	-172.9	24.5	-33.3	0	0	0	114.9
515	F	62.8	Low	80	Confident	198 Å²	198	51.4 Å²	51.4	87%	0.868	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	8.1	-178.6	-53.4	-70	0	0	0	113.1	G513	G513-F515 VanDerWaalsContact C-N 3.27Å; G513-F515 PolarHBondContact O-N 3.34Å
516	E	65.9	Low	80.1	Confident	103 Å²	103	53.1 Å²	53.1	48%	0.481	28%	0.275	S	S	.	.	S	Bend	trans	-93.6	156.7	179	-69.5	-168.4	-153.9	0	0	111.4	K512 G513 Y518	K512-E516 HydrophobicContact CB-CB 4.29Å; K512-E516 WeakPolarHBondContact CB-OE2 3.35Å; K512-E516 VanDerWaalsContact CD-OE2 3.27Å; K512-E516 WeakPolarHBondContact CD-OE2 3.43Å; G513-E516 PolarHBondContact O-N 2.81Å; E516-Y518 PolarHBondContact O-N 3.38Å
517	T	71	Confident	80.2	Confident	110 Å²	110	55.1 Å²	55.1	68%	0.675	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-55.4	131	170.5	54.2	0	0	0	0	109.7
518	Y	78.7	Confident	80.3	Confident	38 Å²	38	54.4 Å²	54.4	15%	0.149	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-101.6	156.4	176.9	77.1	-85.8	0	0	0	111.1	K240 D241 E509 W510 E516 D520	K240-Y518 HydrophobicContact CD-CE1 4.45Å; K240-Y518 HydrophobicContact CD-CE2 4.39Å; K240-Y518 PolarHBondContact NZ-O 3.36Å; D241-Y518 VanDerWaalsContact OD1-CZ 3.31Å; D241-Y518 PolarHBondContact OD1-OH 3.38Å; E509-Y518 HydrophobicContact CB-CD2 3.93Å; E509-Y518 HydrophobicContact CB-CE2 4.46Å; E509-Y518 HydrophobicContact CG-CD2 3.71Å; E509-Y518 HydrophobicContact CG-CE2 3.74Å; E509-Y518 WeakPolarHBondContact OE2-CD2 3.18Å; W510-Y518 CarbonylContact O-C 3.56Å; W510-Y518 WeakPolarHBondContact O-CA 3.12Å; W510-Y518 WeakPolarHBondContact O-CB 3.48Å; E516-Y518 PolarHBondContact O-N 3.38Å; Y518-D520 HydrophobicContact CE2-CB 4.4Å
519	K	83.6	Confident	80.6	Confident	59 Å²	59	56.3 Å²	56.3	26%	0.257	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	149.3	166	-63.9	179.7	-179.8	-176.9	0	107.8	E509 W510 M529 D531	E509-K519 CarbonylContact C-O 3.48Å; E509-K519 VanDerWaalsContact CA-O 3.29Å; E509-K519 WeakPolarHBondContact CA-O 3.19Å; W510-K519 HydrophobicContact CB-CB 4.37Å; W510-K519 HydrophobicContact CE3-CB 3.82Å; W510-K519 PolarHBondContact N-O 2.7Å; W510-K519 PolarHBondContact O-N 3.36Å; K519-M529 PolarHBondContact NZ-O 3.49Å; K519-D531 IonicContact NZ-OD1 3.88Å; K519-D531 PolarHBondContact NZ-OD1 2.99Å
520	D	86.9	Confident	80.8	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.011	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	166	174	68	59.6	0	0	0	111.6	E509 W510 Y518 R522 N528	E509-D520 HydrophobicContact CG-CB 4.3Å; W510-D520 VanDerWaalsContact CZ3-C 3.41Å; W510-D520 WeakPolarHBondContact CZ3-O 3.1Å; Y518-D520 HydrophobicContact CE2-CB 4.4Å; D520-R522 VanDerWaalsContact C-N 3.28Å; D520-R522 PolarHBondContact O-N 3.48Å; D520-R522 WeakPolarHBondContact OD1-CB 3.01Å; D520-R522 IonicContact OD1-CZ 3.8Å; D520-R522 PolarHBondContact OD1-N 2.02Å; D520-R522 IonicContact OD1-NE 3.85Å; D520-R522 PolarHBondContact OD1-NE 3.36Å; D520-R522 IonicContact OD1-NH2 2.93Å; D520-R522 IonicContact OD2-CZ 2.76Å; D520-R522 IonicContact OD2-NE 3.14Å; D520-R522 PolarHBondContact OD2-NE 2.78Å; D520-R522 IonicContact OD2-NH2 2.85Å; D520-R522 PolarHBondContact OD2-NH2 2.77Å; D520-N528 PolarHBondContact N-OD1 3.27Å; D520-N528 PolarHBondContact O-ND2 2.99Å; D520-N528 PolarHBondContact O-OD1 2.82Å; D520-N528 PolarHBondContact OD1-ND2 2.84Å
521	S	90.5	Very high	81.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-75.3	-0.6	-171.3	44.4	0	0	0	0	116.6	Q375 S458 L459 E507 F508 C523	Q375-S521 PolarHBondContact OE1-OG 3.24Å; S458-S521 VanDerWaalsContact CA-O 3.3Å; S458-S521 WeakPolarHBondContact CA-O 3.47Å; L459-S521 PolarHBondContact N-O 3.24Å; L459-S521 WeakPolarHBondContact O-CB 3.21Å; L459-S521 PolarHBondContact O-OG 2.72Å; E507-S521 WeakPolarHBondContact CB-OG 3.42Å; F508-S521 PolarHBondContact N-OG 2.96Å; F508-S521 WeakPolarHBondContact O-CB 3.03Å; F508-S521 PolarHBondContact O-N 2.86Å; F508-S521 PolarHBondContact O-OG 2.91Å; S521-C523 PolarHBondContact O-N 3.39Å
522	R	93.1	Very high	81.6	Confident	10 Å²	10	58.6 Å²	58.6	4%	0.038	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-70.7	127.1	-178.2	-69.1	173.1	-70.3	-179.2	-6.8	111.4	K240 E243 D520 G524 L525 N528 Y541	K240-R522 PolarHBondContact O-NH2 2.78Å; E243-R522 IonicContact OE2-CZ 2.85Å; E243-R522 IonicContact OE2-NH1 3.98Å; E243-R522 PolarHBondContact OE2-NH1 2.9Å; D520-R522 VanDerWaalsContact C-N 3.28Å; D520-R522 PolarHBondContact O-N 3.48Å; D520-R522 WeakPolarHBondContact OD1-CB 3.01Å; D520-R522 IonicContact OD1-CZ 3.8Å; D520-R522 PolarHBondContact OD1-N 2.02Å; D520-R522 IonicContact OD1-NE 3.85Å; D520-R522 PolarHBondContact OD1-NE 3.36Å; D520-R522 IonicContact OD1-NH2 2.93Å; D520-R522 IonicContact OD2-CZ 2.76Å; D520-R522 IonicContact OD2-NE 3.14Å; D520-R522 PolarHBondContact OD2-NE 2.78Å; D520-R522 IonicContact OD2-NH2 2.85Å; D520-R522 PolarHBondContact OD2-NH2 2.77Å; R522-G524 VanDerWaalsContact C-N 3.28Å; R522-G524 PolarHBondContact O-N 3.46Å; R522-L525 HydrophobicContact CB-CD1 4.3Å; R522-L525 HydrophobicContact CB-CG 4.34Å; R522-L525 VanDerWaalsContact NH2-CD1 3.33Å; R522-N528 PolarHBondContact O-ND2 2.58Å; R522-Y541 VanDerWaalsContact O-CD1 3.23Å; R522-Y541 WeakPolarHBondContact O-CD1 3.42Å; R522-Y541 WeakPolarHBondContact O-CE1 3.32Å
523	C	94.8	Very high	82.1	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29	176.1	-61.3	0	0	0	0	112.2	D457 S521 L525 Y541 G542 S545 A546 C547 C572	D457-C523 WeakPolarHBondContact O-CB 3.36Å; D457-C523 PolarHBondContact O-N 2.84Å; S521-C523 PolarHBondContact O-N 3.39Å; C523-L525 PolarHBondContact O-N 3.39Å; C523-Y541 CarbonylContact O-C 3.52Å; C523-Y541 WeakPolarHBondContact O-CA 3.39Å; C523-G542 PolarHBondContact O-N 3.36Å; C523-S545 WeakPolarHBondContact O-CB 3.18Å; C523-A546 VanDerWaalsContact SG-C 3.55Å; C523-C547 PolarHBondContact SG-N 3.48Å; C523-C547 VanDerWaalsContact SG-N 3.43Å; C523-C572 WeakPolarHBondContact CA-SG 3.29Å; C523-C572 HydrophobicContact CB-CB 3.63Å; C523-C572 WeakPolarHBondContact CB-SG 3.42Å; C523-C572 WeakPolarHBondContact SG-CB 3.48Å; C523-C572 CovalentContact SG-SG 2.04Å; C523-C572 PolarHBondContact SG-SG 3.39Å
524	G	93.6	Very high	82.9	Confident	32 Å²	32	62.6 Å²	62.6	33%	0.33	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.6	-177.3	0	0	0	0	0	115.9	R522 G542	R522-G524 VanDerWaalsContact C-N 3.28Å; R522-G524 PolarHBondContact O-N 3.46Å; G524-G542 VanDerWaalsContact C-C 3.5Å; G524-G542 CarbonylContact C-O 3.59Å; G524-G542 WeakPolarHBondContact CA-O 2.94Å; G524-G542 CarbonylContact O-C 2.91Å; G524-G542 WeakPolarHBondContact O-CA 3.38Å
525	L	92.3	Very high	84.3	Confident	26 Å²	26	58.9 Å²	58.9	14%	0.136	31%	0.305	C	S	.	.			trans	-104.9	113	-169.9	-65.1	-180	0	0	0	112.1	K240 R522 C523 S527 N528 Y541	K240-L525 HydrophobicContact CB-CD1 3.87Å; R522-L525 HydrophobicContact CB-CD1 4.3Å; R522-L525 HydrophobicContact CB-CG 4.34Å; R522-L525 VanDerWaalsContact NH2-CD1 3.33Å; C523-L525 PolarHBondContact O-N 3.39Å; L525-S527 PolarHBondContact O-N 3.05Å; L525-S527 VanDerWaalsContact O-N 3.1Å; L525-N528 WeakPolarHBondContact CB-ND2 3.35Å; L525-N528 WeakPolarHBondContact O-CB 3.44Å; L525-N528 PolarHBondContact O-N 2.02Å; L525-Y541 WeakPolarHBondContact O-CB 2.95Å
526	A	92.3	Very high	85.5	Confident	64 Å²	64	49.5 Å²	49.5	53%	0.529	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.8	178.1	0	0	0	0	0	113.3	N528 M529	A526-N528 PolarHBondContact O-N 3.17Å; A526-M529 WeakPolarHBondContact O-CB 3.48Å; A526-M529 PolarHBondContact O-N 2.76Å; A526-M529 VanDerWaalsContact O-N 3.15Å
527	S	89.3	Confident	86.7	Confident	60 Å²	60	45 Å²	45	42%	0.42	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-62.8	-21.2	174.9	56.9	0	0	0	0	114	L525 M529	L525-S527 PolarHBondContact O-N 3.05Å; L525-S527 VanDerWaalsContact O-N 3.1Å; S527-M529 VanDerWaalsContact C-N 3.3Å
528	N	90.6	Very high	87.7	Confident	3 Å²	3	40 Å²	40	2%	0.016	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-84	-5.1	178.5	-67.2	-25.4	0	0	0	113.2	D520 R522 L525 A526 Y541	D520-N528 PolarHBondContact N-OD1 3.27Å; D520-N528 PolarHBondContact O-ND2 2.99Å; D520-N528 PolarHBondContact O-OD1 2.82Å; D520-N528 PolarHBondContact OD1-ND2 2.84Å; R522-N528 PolarHBondContact O-ND2 2.58Å; L525-N528 WeakPolarHBondContact CB-ND2 3.35Å; L525-N528 WeakPolarHBondContact O-CB 3.44Å; L525-N528 PolarHBondContact O-N 2.02Å; A526-N528 PolarHBondContact O-N 3.17Å; N528-Y541 HydrophobicContact CB-CD1 3.47Å; N528-Y541 VanDerWaalsContact CB-CD1 3.47Å; N528-Y541 HydrophobicContact CB-CE1 3.71Å; N528-Y541 HydrophobicContact CB-CG 4.18Å
529	M	89.8	Confident	88.4	Confident	48 Å²	48	39.6 Å²	39.6	24%	0.236	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-50.7	126.4	179.6	-170.9	67.1	170	0	0	111.8	K519 A526 S527 E539 Y541 L587	K519-M529 PolarHBondContact NZ-O 3.49Å; A526-M529 WeakPolarHBondContact O-CB 3.48Å; A526-M529 PolarHBondContact O-N 2.76Å; A526-M529 VanDerWaalsContact O-N 3.15Å; S527-M529 VanDerWaalsContact C-N 3.3Å; M529-E539 WeakPolarHBondContact CE-O 3.27Å; M529-Y541 HydrophobicContact SD-CD2 4.24Å; M529-Y541 PolarHBondContact SD-N 2.97Å; M529-L587 HydrophobicContact CE-CD1 3.52Å; M529-L587 HydrophobicContact CE-CD2 3.45Å; M529-L587 VanDerWaalsContact CE-CD2 3.45Å; M529-L587 HydrophobicContact CE-CG 4.04Å
530	P	85.8	Confident	88.8	Confident	28 Å²	28	39 Å²	39	18%	0.182	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-62.2	146.4	174.7	-22.2	32.7	0	0	0	111.5	N535 E539 Y541	P530-N535 HydrophobicContact CB-CB 4.03Å; P530-E539 HydrophobicContact CG-CB 4.44Å; P530-Y541 HydrophobicContact CG-CE2 4.16Å
531	D	83.6	Confident	89.2	Confident	66 Å²	66	39.5 Å²	39.5	35%	0.353	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-60.6	142.1	174.6	-52.1	-19.7	0	0	0	109	K519 Q533 Y534 N535	K519-D531 IonicContact NZ-OD1 3.88Å; K519-D531 PolarHBondContact NZ-OD1 2.99Å; D531-Q533 HydrophobicContact CB-CG 4.27Å; D531-Q533 PolarHBondContact O-N 2.87Å; D531-Y534 HydrophobicContact CB-CD2 4.02Å; D531-Y534 CarbonylContact O-C 3.33Å; D531-Y534 WeakPolarHBondContact O-CA 3.46Å; D531-Y534 PolarHBondContact O-N 3.23Å; D531-N535 PolarHBondContact O-N 2.91Å
532	E	81.8	Confident	89.4	Confident	138 Å²	138	39.9 Å²	39.9	65%	0.645	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-51.2	-39.4	-173.3	-172.8	-178.4	178.6	0	0	113.1	Y534 N535	E532-Y534 PolarHBondContact O-N 3.31Å; E532-N535 PolarHBondContact O-N 2.9Å
533	Q	77.9	Confident	89.3	Confident	110 Å²	110	45 Å²	45	51%	0.514	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-66.2	-20.7	177.9	64.7	178	-16.5	0	0	114.8	D531	D531-Q533 HydrophobicContact CB-CG 4.27Å; D531-Q533 PolarHBondContact O-N 2.87Å
534	Y	79.2	Confident	89.3	Confident	137 Å²	137	49.6 Å²	49.6	54%	0.537	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-112.6	0	-179.6	-57.5	-55.2	0	0	0	112.5	D531 E532 G536 Y565	D531-Y534 HydrophobicContact CB-CD2 4.02Å; D531-Y534 CarbonylContact O-C 3.33Å; D531-Y534 WeakPolarHBondContact O-CA 3.46Å; D531-Y534 PolarHBondContact O-N 3.23Å; E532-Y534 PolarHBondContact O-N 3.31Å; Y534-G536 VanDerWaalsContact C-N 3.27Å; Y534-G536 PolarHBondContact O-N 2.78Å; Y534-Y565 WeakPolarHBondContact O-CE1 3.39Å
535	N	87.8	Confident	89.5	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.027	26%	0.264	C	S	.	.			trans	-87.3	60.2	178.6	-164	-4.1	0	0	0	112.3	P530 D531 E532 A537 L538 E539 L587	P530-N535 HydrophobicContact CB-CB 4.03Å; D531-N535 PolarHBondContact O-N 2.91Å; E532-N535 PolarHBondContact O-N 2.9Å; N535-A537 VanDerWaalsContact C-N 3.28Å; N535-A537 PolarHBondContact O-N 3.35Å; N535-L538 PolarHBondContact O-N 2.84Å; N535-L538 PolarHBondContact OD1-N 2.98Å; N535-E539 PolarHBondContact ND2-O 3.41Å; N535-E539 PolarHBondContact OD1-N 2.85Å; N535-L587 WeakPolarHBondContact ND2-CD2 3.46Å
536	G	87.4	Confident	89.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.4	-178.2	0	0	0	0	0	114.5	Y534 L538 Y565 H613	Y534-G536 VanDerWaalsContact C-N 3.27Å; Y534-G536 PolarHBondContact O-N 2.78Å; G536-L538 VanDerWaalsContact C-N 3.27Å; G536-L538 PolarHBondContact O-N 2.94Å; G536-Y565 WeakPolarHBondContact CA-OH 3.32Å; G536-Y565 PolarHBondContact N-OH 2.79Å; G536-H613 PolarHBondContact O-ND1 3.25Å
537	A	90.4	Very high	89.9	Confident	8 Å²	8	44.5 Å²	44.5	7%	0.066	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	4.5	-178.9	0	0	0	0	0	113.8	N535 E539 W554 Y573	N535-A537 VanDerWaalsContact C-N 3.28Å; N535-A537 PolarHBondContact O-N 3.35Å; A537-E539 HydrophobicContact CB-CG 3.91Å; A537-E539 PolarHBondContact O-N 3.16Å; A537-W554 VanDerWaalsContact CA-CD2 3.47Å; A537-W554 HydrophobicContact CB-CB 4.22Å; A537-W554 HydrophobicContact CB-CD2 3.79Å; A537-W554 HydrophobicContact CB-CE3 4.43Å; A537-W554 HydrophobicContact CB-CG 3.66Å; A537-W554 WeakPolarHBondContact O-CH2 3.45Å; A537-W554 WeakPolarHBondContact O-CZ2 3.46Å; A537-Y573 VanDerWaalsContact O-CE1 3.26Å; A537-Y573 WeakPolarHBondContact O-CE1 3.49Å; A537-Y573 PolarHBondContact O-OH 3.31Å
538	L	91.7	Very high	90.2	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.213	C	C	.	.			trans	54.9	37.4	-178.7	-56.7	176	0	0	0	112.7	N535 G536 W554 Y573 L587 R606 V608 H613	N535-L538 PolarHBondContact O-N 2.84Å; N535-L538 PolarHBondContact OD1-N 2.98Å; G536-L538 VanDerWaalsContact C-N 3.27Å; G536-L538 PolarHBondContact O-N 2.94Å; L538-W554 HydrophobicContact CD1-CZ3 4.28Å; L538-W554 HydrophobicContact CG-CZ3 4.35Å; L538-Y573 WeakPolarHBondContact O-CE1 3.34Å; L538-L587 PolarHBondContact O-N 2.98Å; L538-R606 HydrophobicContact CD1-CB 4.41Å; L538-V608 HydrophobicContact CD1-CG2 4.33Å; L538-V608 HydrophobicContact CD2-CB 4.35Å; L538-V608 HydrophobicContact CD2-CG2 3.98Å; L538-H613 HydrophobicContact CD1-CB 3.99Å; L538-H613 HydrophobicContact CG-CB 4.26Å
539	E	93	Very high	90.4	Very high	30 Å²	30	43.9 Å²	43.9	14%	0.14	23%	0.225	C	C	.	.			trans	-64.7	151.2	179.2	-59.4	-172.2	-104	0	0	110.7	M529 P530 N535 A537 Y541 A571 C572	M529-E539 WeakPolarHBondContact CE-O 3.27Å; P530-E539 HydrophobicContact CG-CB 4.44Å; N535-E539 PolarHBondContact ND2-O 3.41Å; N535-E539 PolarHBondContact OD1-N 2.85Å; A537-E539 HydrophobicContact CB-CG 3.91Å; A537-E539 PolarHBondContact O-N 3.16Å; E539-Y541 HydrophobicContact CB-CD2 4.45Å; E539-Y541 HydrophobicContact CB-CE2 4.15Å; E539-A571 HydrophobicContact CG-CB 3.95Å; E539-A571 WeakPolarHBondContact OE2-CA 3.47Å; E539-A571 WeakPolarHBondContact OE2-CB 3.33Å; E539-C572 CarbonylContact C-O 3.52Å; E539-C572 VanDerWaalsContact CA-O 3.24Å; E539-C572 WeakPolarHBondContact CA-O 2.8Å; E539-C572 WeakPolarHBondContact CB-O 3.3Å; E539-C572 PolarHBondContact OE2-N 3.43Å
540	Q	93.9	Very high	90.7	Very high	47 Å²	47	42.6 Å²	42.6	22%	0.22	22%	0.22	C	C	.	.			trans	-139.7	117.3	174.6	-172.7	171.3	-16.8	0	0	109.6	S545 C572 E574 L587	Q540-S545 WeakPolarHBondContact O-CB 3.4Å; Q540-S545 PolarHBondContact O-OG 2.8Å; Q540-C572 PolarHBondContact N-O 2.84Å; Q540-E574 HydrophobicContact CB-CB 4.44Å; Q540-E574 HydrophobicContact CG-CB 4.28Å; Q540-E574 PolarHBondContact NE2-OE2 3.08Å; Q540-E574 PolarHBondContact OE1-OE2 3.43Å; Q540-L587 HydrophobicContact CB-CB 4.49Å; Q540-L587 HydrophobicContact CG-CD1 4.29Å
541	Y	94.2	Very high	91	Very high	13 Å²	13	43 Å²	43	5%	0.051	23%	0.228	C	C	.	.			trans	-99.9	143.6	177.3	-75.4	-109.5	0	0	0	110.4	R522 C523 L525 N528 M529 P530 E539 C572	R522-Y541 VanDerWaalsContact O-CD1 3.23Å; R522-Y541 WeakPolarHBondContact O-CD1 3.42Å; R522-Y541 WeakPolarHBondContact O-CE1 3.32Å; C523-Y541 CarbonylContact O-C 3.52Å; C523-Y541 WeakPolarHBondContact O-CA 3.39Å; L525-Y541 WeakPolarHBondContact O-CB 2.95Å; N528-Y541 HydrophobicContact CB-CD1 3.47Å; N528-Y541 VanDerWaalsContact CB-CD1 3.47Å; N528-Y541 HydrophobicContact CB-CE1 3.71Å; N528-Y541 HydrophobicContact CB-CG 4.18Å; M529-Y541 HydrophobicContact SD-CD2 4.24Å; M529-Y541 PolarHBondContact SD-N 2.97Å; P530-Y541 HydrophobicContact CG-CE2 4.16Å; E539-Y541 HydrophobicContact CB-CD2 4.45Å; E539-Y541 HydrophobicContact CB-CE2 4.15Å; Y541-C572 HydrophobicContact CD1-CB 4.21Å; Y541-C572 HydrophobicContact CD2-CB 3.97Å; Y541-C572 HydrophobicContact CE1-CB 3.89Å; Y541-C572 WeakPolarHBondContact CE1-SG 3.29Å; Y541-C572 HydrophobicContact CE2-CB 3.62Å; Y541-C572 HydrophobicContact CG-CB 4.26Å; Y541-C572 PolarHBondContact OH-SG 3.31Å
542	G	94.1	Very high	91.4	Very high	8 Å²	8	41.9 Å²	41.9	8%	0.082	23%	0.226	C	C	.	.	S	Bend	trans	157.5	176.1	-177.6	0	0	0	0	0	112.5	C523 G524 N544 S545	C523-G542 PolarHBondContact O-N 3.36Å; G524-G542 VanDerWaalsContact C-C 3.5Å; G524-G542 CarbonylContact C-O 3.59Å; G524-G542 WeakPolarHBondContact CA-O 2.94Å; G524-G542 CarbonylContact O-C 2.91Å; G524-G542 WeakPolarHBondContact O-CA 3.38Å; G542-N544 PolarHBondContact O-N 2.82Å; G542-S545 PolarHBondContact N-OG 2.94Å; G542-S545 VanDerWaalsContact O-CB 3.27Å; G542-S545 WeakPolarHBondContact O-CB 3.27Å; G542-S545 PolarHBondContact O-N 2.78Å
543	P	92.8	Very high	91.8	Very high	117 Å²	117	38.6 Å²	38.6	76%	0.76	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.3	-169.7	22.4	-34.1	0	0	0	114.8
544	N	94	Very high	92.5	Very high	96 Å²	96	33.4 Å²	33.4	51%	0.513	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	24.8	176.7	-61	-36.5	0	0	0	112.5	G542 E574 Y575	G542-N544 PolarHBondContact O-N 2.82Å; N544-E574 HydrophobicContact CB-CG 4.38Å; N544-E574 WeakPolarHBondContact O-CA 3.48Å; N544-Y575 WeakPolarHBondContact O-CD1 3.42Å; N544-Y575 PolarHBondContact O-N 2.84Å
545	S	96.9	Very high	93	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	144	-179.9	-64.2	0	0	0	0	112.2	C523 Q540 G542 Y573	C523-S545 WeakPolarHBondContact O-CB 3.18Å; Q540-S545 WeakPolarHBondContact O-CB 3.4Å; Q540-S545 PolarHBondContact O-OG 2.8Å; G542-S545 PolarHBondContact N-OG 2.94Å; G542-S545 VanDerWaalsContact O-CB 3.27Å; G542-S545 WeakPolarHBondContact O-CB 3.27Å; G542-S545 PolarHBondContact O-N 2.78Å; S545-Y573 CarbonylContact C-O 3.48Å; S545-Y573 WeakPolarHBondContact CA-O 3.37Å
546	A	96.7	Very high	93.1	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	164.4	178	0	0	0	0	0	110.4	R456 C523 F548 C572 Y573 Y575 L625	R456-A546 CarbonylContact O-C 3.51Å; R456-A546 VanDerWaalsContact O-CA 3.26Å; R456-A546 WeakPolarHBondContact O-CA 3.26Å; R456-A546 VanDerWaalsContact O-CB 3.3Å; R456-A546 WeakPolarHBondContact O-CB 3.34Å; C523-A546 VanDerWaalsContact SG-C 3.55Å; A546-F548 HydrophobicContact CB-CE2 4.07Å; A546-F548 VanDerWaalsContact O-CD2 3.32Å; A546-F548 WeakPolarHBondContact O-CD2 3.46Å; A546-C572 WeakPolarHBondContact O-CA 3.34Å; A546-Y573 PolarHBondContact N-O 2.94Å; A546-Y573 PolarHBondContact O-N 3.45Å; A546-Y575 HydrophobicContact CB-CD1 3.62Å; A546-Y575 HydrophobicContact CB-CE1 3.61Å; A546-L625 HydrophobicContact CB-CD1 4Å; A546-L625 HydrophobicContact CB-CD2 3.67Å
547	C	96.5	Very high	93.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.2	176.2	179.9	0	0	0	0	111	C452 R456 L459 C523 A571	C452-C547 WeakPolarHBondContact CA-SG 3Å; C452-C547 HydrophobicContact CB-CB 3.75Å; C452-C547 WeakPolarHBondContact CB-SG 3.06Å; C452-C547 WeakPolarHBondContact SG-CB 3.02Å; C452-C547 PolarHBondContact SG-O 3.03Å; C452-C547 CovalentContact SG-SG 2.03Å; C452-C547 PolarHBondContact SG-SG 2.87Å; R456-C547 HydrophobicContact CB-CB 4.24Å; R456-C547 PolarHBondContact NE-O 3.26Å; R456-C547 PolarHBondContact NH2-O 3.17Å; R456-C547 VanDerWaalsContact NH2-O 3.16Å; R456-C547 PolarHBondContact O-N 2.85Å; L459-C547 HydrophobicContact CD2-CB 4.43Å; L459-C547 WeakPolarHBondContact CD2-SG 3.42Å; C523-C547 PolarHBondContact SG-N 3.48Å; C523-C547 VanDerWaalsContact SG-N 3.43Å; C547-A571 WeakPolarHBondContact CA-O 3.49Å
548	F	96.9	Very high	93.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.4	172.6	-66.7	-104.9	0	0	0	110.1	A546 A570 A571 Y573 L582 L584 I617 P620 L625	A546-F548 HydrophobicContact CB-CE2 4.07Å; A546-F548 VanDerWaalsContact O-CD2 3.32Å; A546-F548 WeakPolarHBondContact O-CD2 3.46Å; F548-A570 CarbonylContact O-C 3.56Å; F548-A570 VanDerWaalsContact O-CA 3.24Å; F548-A570 WeakPolarHBondContact O-CA 3.4Å; F548-A571 PolarHBondContact N-O 3.02Å; F548-A571 PolarHBondContact O-N 3.47Å; F548-Y573 HydrophobicContact CB-CD2 3.84Å; F548-Y573 HydrophobicContact CB-CE2 4.25Å; F548-Y573 AromaticContact CD2-CD2 3.84Å; F548-Y573 HydrophobicContact CD2-CD2 3.84Å; F548-Y573 HydrophobicContact CD2-CG 4.36Å; F548-Y573 HydrophobicContact CG-CD2 4.08Å; F548-L582 HydrophobicContact CE1-CD2 4.47Å; F548-L584 HydrophobicContact CD1-CD1 4.02Å; F548-L584 HydrophobicContact CD2-CD1 3.92Å; F548-L584 HydrophobicContact CE1-CD1 3.85Å; F548-L584 HydrophobicContact CE2-CD1 3.74Å; F548-L584 HydrophobicContact CG-CD1 4.07Å; F548-L584 HydrophobicContact CZ-CD1 3.71Å; F548-I617 HydrophobicContact CB-CG2 3.69Å; F548-I617 HydrophobicContact CD1-CG2 4.22Å; F548-I617 HydrophobicContact CG-CG2 4.25Å; F548-P620 HydrophobicContact CD1-CG 4.17Å; F548-P620 HydrophobicContact CE1-CG 3.93Å; F548-L625 HydrophobicContact CE1-CD1 4.2Å; F548-L625 HydrophobicContact CE2-CD1 4.28Å; F548-L625 HydrophobicContact CZ-CD1 3.67Å
549	D	95.1	Very high	92.9	Very high	50 Å²	50	38.1 Å²	38.1	27%	0.267	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	145.6	174.4	-61.9	-63.9	0	0	0	109	R456 G569 V618	R456-D549 IonicContact CZ-OD2 3.79Å; R456-D549 VanDerWaalsContact CZ-OD2 3.31Å; R456-D549 IonicContact NH1-OD2 3.67Å; R456-D549 PolarHBondContact NH1-OD2 2.77Å; R456-D549 VanDerWaalsContact NH2-N 3.1Å; R456-D549 IonicContact NH2-OD1 2.77Å; R456-D549 IonicContact NH2-OD2 3.99Å; R456-D549 PolarHBondContact NH2-OD2 3.11Å; D549-G569 CarbonylContact C-O 3.59Å; D549-G569 WeakPolarHBondContact CA-O 3.24Å; D549-V618 HydrophobicContact CB-CB 4.22Å; D549-V618 PolarHBondContact O-N 2.85Å
550	L	94.7	Very high	92.5	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.115	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.4	179.5	-63.7	-179.7	0	0	0	109.9	S552 W554 G569 A571 Y573 S616 I617	L550-S552 VanDerWaalsContact C-N 3.35Å; L550-W554 VanDerWaalsContact CD2-NE1 3.28Å; L550-G569 PolarHBondContact N-O 3.3Å; L550-A571 HydrophobicContact CD1-CB 3.97Å; L550-A571 HydrophobicContact CD2-CB 3.99Å; L550-A571 HydrophobicContact CG-CB 4.13Å; L550-Y573 HydrophobicContact CD2-CE2 4.21Å; L550-S616 CarbonylContact C-O 3.57Å; L550-S616 WeakPolarHBondContact CA-O 3.43Å; L550-I617 HydrophobicContact CD2-CG1 4.03Å
551	G	93.1	Very high	92.1	Very high	35 Å²	35	46.7 Å²	46.7	36%	0.361	26%	0.264	S	S	.	.	S	Bend	trans	-82.9	-12.6	177.8	0	0	0	0	0	113.4	S616	G551-S616 PolarHBondContact N-O 3.35Å
552	S	91.8	Very high	91.8	Very high	44 Å²	44	51.7 Å²	51.7	31%	0.308	29%	0.292	S	S	.	.	S	Bend	trans	-151.7	164	174.3	77.9	0	0	0	0	111.6	L550 G615 S616	L550-S552 VanDerWaalsContact C-N 3.35Å; S552-G615 WeakPolarHBondContact OG-CA 3.38Å; S552-S616 PolarHBondContact N-O 2.91Å; S552-S616 PolarHBondContact OG-N 3.41Å
553	V	89.6	Confident	91.3	Very high	69 Å²	69	55.9 Å²	55.9	42%	0.418	31%	0.305	S	S	.	.			trans	-63.9	135	165	-177	0	0	0	0	109	Y565 H568	V553-Y565 WeakPolarHBondContact CG1-O 3.38Å; V553-H568 HydrophobicContact CG2-CB 4.07Å
554	W	91.8	Very high	90.7	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	30%	0.296	C	S	.	.			trans	-79.3	142.1	175.8	-82.2	82.3	0	0	0	111.7	A537 L538 L550 Y565 Y573 V604 H613 I617	A537-W554 VanDerWaalsContact CA-CD2 3.47Å; A537-W554 HydrophobicContact CB-CB 4.22Å; A537-W554 HydrophobicContact CB-CD2 3.79Å; A537-W554 HydrophobicContact CB-CE3 4.43Å; A537-W554 HydrophobicContact CB-CG 3.66Å; A537-W554 WeakPolarHBondContact O-CH2 3.45Å; A537-W554 WeakPolarHBondContact O-CZ2 3.46Å; L538-W554 HydrophobicContact CD1-CZ3 4.28Å; L538-W554 HydrophobicContact CG-CZ3 4.35Å; L550-W554 VanDerWaalsContact CD2-NE1 3.28Å; W554-Y565 PolarHBondContact O-N 2.04Å; W554-Y573 VanDerWaalsContact CZ2-OH 3.24Å; W554-Y573 WeakPolarHBondContact CZ2-OH 3.49Å; W554-Y573 PolarHBondContact NE1-OH 3.35Å; W554-V604 HydrophobicContact CH2-CB 3.9Å; W554-V604 HydrophobicContact CH2-CG1 3.98Å; W554-V604 HydrophobicContact CH2-CG2 4.19Å; W554-V604 HydrophobicContact CZ3-CB 4.44Å; W554-V604 HydrophobicContact CZ3-CG1 4.34Å; W554-H613 HydrophobicContact CZ3-CB 4.21Å; W554-I617 HydrophobicContact CZ2-CD1 3.92Å; W554-I617 HydrophobicContact CZ2-CG1 3.9Å
555	T	91	Very high	89.8	Confident	41 Å²	41	50.5 Å²	50.5	25%	0.252	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.5	175.9	62.5	0	0	0	0	110.6	R563 A564 H613 E614	T555-R563 CarbonylContact C-O 3.23Å; T555-R563 WeakPolarHBondContact CA-O 3.49Å; T555-A564 HydrophobicContact CG2-CB 4.37Å; T555-H613 WeakPolarHBondContact O-CA 3.34Å; T555-E614 PolarHBondContact N-O 3.32Å; T555-E614 PolarHBondContact O-N 2.88Å; T555-E614 PolarHBondContact OG1-O 3.3Å
556	Q	89.2	Confident	88.1	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.019	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.4	173.1	-169.1	-164.3	33.8	0	0	109	R563 Y565 W611 Y612 H613	Q556-R563 PolarHBondContact N-O 2.85Å; Q556-R563 WeakPolarHBondContact O-CA 3.46Å; Q556-R563 WeakPolarHBondContact O-CB 3.31Å; Q556-R563 PolarHBondContact O-N 2.83Å; Q556-Y565 HydrophobicContact CB-CD2 4.46Å; Q556-Y565 HydrophobicContact CB-CE2 3.63Å; Q556-Y565 PolarHBondContact OE1-OH 2.93Å; Q556-W611 HydrophobicContact CG-CB 3.81Å; Q556-W611 HydrophobicContact CG-CD2 3.97Å; Q556-W611 HydrophobicContact CG-CE3 3.61Å; Q556-W611 HydrophobicContact CG-CG 4.1Å; Q556-W611 HydrophobicContact CG-CZ3 4.38Å; Q556-W611 VanDerWaalsContact NE2-CG 3.25Å; Q556-Y612 CarbonylContact C-O 3.53Å; Q556-Y612 VanDerWaalsContact CA-O 3.24Å; Q556-Y612 WeakPolarHBondContact CA-O 3.17Å; Q556-H613 PolarHBondContact NE2-CE1 2.64Å; Q556-H613 VanDerWaalsContact NE2-CE1 3.26Å; Q556-H613 PolarHBondContact NE2-NE2 2.67Å
557	R	89.9	Confident	86.5	Confident	95 Å²	95	55.4 Å²	55.4	36%	0.358	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.5	179.3	61.7	179.8	179.6	-174.5	-4.7	112.4	V561 N562 Y612 I650	R557-V561 CarbonylContact C-O 3.57Å; R557-V561 VanDerWaalsContact CA-O 3.29Å; R557-V561 WeakPolarHBondContact CA-O 3.43Å; R557-N562 HydrophobicContact CB-CB 4.24Å; R557-Y612 HydrophobicContact CG-CD1 3.71Å; R557-Y612 HydrophobicContact CG-CG 4.3Å; R557-Y612 PolarHBondContact N-O 3.12Å; R557-Y612 WeakPolarHBondContact O-CB 3.42Å; R557-Y612 PolarHBondContact O-N 2.88Å; R557-I650 HydrophobicContact CG-CD1 3.81Å
558	N	89.2	Confident	85.4	Confident	43 Å²	43	58.2 Å²	58.2	23%	0.23	32%	0.315	C	S	.	.			trans	-129.7	-170.5	163.7	69.4	22.7	0	0	0	108.4	K560 V561 W611	N558-K560 PolarHBondContact O-N 3.45Å; N558-K560 WeakPolarHBondContact OD1-CA 3.27Å; N558-K560 PolarHBondContact OD1-N 3.41Å; N558-V561 PolarHBondContact N-O 3.44Å; N558-V561 PolarHBondContact OD1-N 2.81Å; N558-V561 PolarHBondContact OD1-O 2.71Å; N558-W611 HydrophobicContact CB-CD2 4.09Å; N558-W611 HydrophobicContact CB-CE3 3.67Å; N558-W611 HydrophobicContact CB-CZ3 3.95Å; N558-W611 VanDerWaalsContact CG-CZ3 3.49Å; N558-W611 WeakPolarHBondContact ND2-CH2 3.28Å; N558-W611 WeakPolarHBondContact ND2-CZ2 3.48Å; N558-W611 VanDerWaalsContact ND2-CZ3 3.3Å; N558-W611 WeakPolarHBondContact ND2-CZ3 3.45Å
559	C	85.8	Confident	85	Confident	71 Å²	71	58.9 Å²	58.9	48%	0.48	32%	0.322	S	S	.	.	S	Bend	trans	-68	-13.3	-177.1	-62.5	0	0	0	0	115.5	C652	C559-C652 WeakPolarHBondContact CA-SG 3.42Å; C559-C652 HydrophobicContact CB-CB 3.67Å; C559-C652 WeakPolarHBondContact CB-SG 3.22Å; C559-C652 WeakPolarHBondContact SG-CA 3.39Å; C559-C652 WeakPolarHBondContact SG-CB 3.32Å; C559-C652 CovalentContact SG-SG 2.04Å; C559-C652 PolarHBondContact SG-SG 3.42Å
560	K	85.8	Confident	85	Confident	199 Å²	199	56.7 Å²	56.7	87%	0.865	31%	0.311	S	S	*	.	S	Bend	trans	-112	-31.1	-176.7	-63.6	-177.5	179.7	-179.9	0	112.7	N558	N558-K560 PolarHBondContact O-N 3.45Å; N558-K560 WeakPolarHBondContact OD1-CA 3.27Å; N558-K560 PolarHBondContact OD1-N 3.41Å
561	V	85.9	Confident	85	Confident	58 Å²	58	55.8 Å²	55.8	35%	0.352	31%	0.307	S	S	.	.			trans	-137.7	134.4	-167.1	-173.8	0	0	0	0	109.5	R557 N558 R563 W611	R557-V561 CarbonylContact C-O 3.57Å; R557-V561 VanDerWaalsContact CA-O 3.29Å; R557-V561 WeakPolarHBondContact CA-O 3.43Å; N558-V561 PolarHBondContact N-O 3.44Å; N558-V561 PolarHBondContact OD1-N 2.81Å; N558-V561 PolarHBondContact OD1-O 2.71Å; V561-R563 HydrophobicContact CG1-CG 3.76Å; V561-W611 HydrophobicContact CB-CH2 4.04Å; V561-W611 HydrophobicContact CB-CZ3 4.16Å; V561-W611 HydrophobicContact CG1-CH2 4.4Å
562	N	86	Confident	85.1	Confident	118 Å²	118	54.1 Å²	54.1	63%	0.631	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.4	167.5	-174.5	11.8	0	0	0	108.5	R557	R557-N562 HydrophobicContact CB-CB 4.24Å
563	R	84.1	Confident	85.3	Confident	96 Å²	96	52 Å²	52	36%	0.362	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.9	-179.2	-58.1	-178.3	175.7	168.6	-3.9	108.9	T555 Q556 V561 Y565	T555-R563 CarbonylContact C-O 3.23Å; T555-R563 WeakPolarHBondContact CA-O 3.49Å; Q556-R563 PolarHBondContact N-O 2.85Å; Q556-R563 WeakPolarHBondContact O-CA 3.46Å; Q556-R563 WeakPolarHBondContact O-CB 3.31Å; Q556-R563 PolarHBondContact O-N 2.83Å; V561-R563 HydrophobicContact CG1-CG 3.76Å; R563-Y565 HydrophobicContact CB-CE2 4.45Å
564	A	81.5	Confident	85.7	Confident	69 Å²	69	51.5 Å²	51.5	57%	0.57	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	133	161.7	0	0	0	0	0	107.5	T555 P566	T555-A564 HydrophobicContact CG2-CB 4.37Å; A564-P566 WeakPolarHBondContact O-CD 3.1Å
565	Y	74.7	Confident	85.9	Confident	30 Å²	30	54.3 Å²	54.3	12%	0.118	28%	0.279	C	S	.	.			trans	-81.6	123.1	177.8	-79.5	-96.9	0	0	0	108.9	Y534 G536 V553 W554 Q556 R563 H567	Y534-Y565 WeakPolarHBondContact O-CE1 3.39Å; G536-Y565 WeakPolarHBondContact CA-OH 3.32Å; G536-Y565 PolarHBondContact N-OH 2.79Å; V553-Y565 WeakPolarHBondContact CG1-O 3.38Å; W554-Y565 PolarHBondContact O-N 2.04Å; Q556-Y565 HydrophobicContact CB-CD2 4.46Å; Q556-Y565 HydrophobicContact CB-CE2 3.63Å; Q556-Y565 PolarHBondContact OE1-OH 2.93Å; R563-Y565 HydrophobicContact CB-CE2 4.45Å; Y565-H567 VanDerWaalsContact C-N 3.28Å; Y565-H567 PolarHBondContact O-N 2.82Å
566	P	60.2	Low	86.1	Confident	48 Å²	48	53.6 Å²	53.6	31%	0.312	28%	0.276	S	S	.	.	S	Bend	trans	-65.8	-32.4	-178.1	20.6	-29.7	0	0	0	113.7	R446 A564 H568	R446-P566 HydrophobicContact CB-CB 4.15Å; R446-P566 WeakPolarHBondContact O-CB 3.35Å; A564-P566 WeakPolarHBondContact O-CD 3.1Å; P566-H568 PolarHBondContact O-N 2.88Å; P566-H568 VanDerWaalsContact O-N 3.16Å; P566-H568 PolarHBondContact O-ND1 3.27Å
567	H	64.4	Low	86.4	Confident	70 Å²	70	55.4 Å²	55.4	32%	0.324	29%	0.288	S	S	.	.			trans	-64	115.4	176.1	-63.2	-49.6	0	0	0	109.3	W445 Y565	W445-H567 AromaticContact CE3-CE1 3.89Å; W445-H567 PolarHBondContact O-CE1 3.43Å; Y565-H567 VanDerWaalsContact C-N 3.28Å; Y565-H567 PolarHBondContact O-N 2.82Å
568	H	72.9	Confident	86.6	Confident	59 Å²	59	53.4 Å²	53.4	27%	0.273	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-135.2	158.4	178.9	65.8	-78.6	0	0	0	109.2	K449 T450 V553 P566	K449-H568 CarbonylContact C-O 3.47Å; K449-H568 VanDerWaalsContact CA-O 3.32Å; K449-H568 WeakPolarHBondContact CA-O 3.44Å; T450-H568 PolarHBondContact N-O 3.46Å; T450-H568 PolarHBondContact OG1-O 3.18Å; V553-H568 HydrophobicContact CG2-CB 4.07Å; P566-H568 PolarHBondContact O-N 2.88Å; P566-H568 VanDerWaalsContact O-N 3.16Å; P566-H568 PolarHBondContact O-ND1 3.27Å
569	G	88.7	Confident	86.8	Confident	14 Å²	14	57.4 Å²	57.4	14%	0.144	31%	0.308	C	S	.	.	S	Bend	trans	111.9	-54.2	176.9	0	0	0	0	0	113.5	T450 D549 L550	T450-G569 CarbonylContact O-C 3.52Å; T450-G569 VanDerWaalsContact O-CA 3.22Å; T450-G569 WeakPolarHBondContact O-CA 3.46Å; D549-G569 CarbonylContact C-O 3.59Å; D549-G569 WeakPolarHBondContact CA-O 3.24Å; L550-G569 PolarHBondContact N-O 3.3Å
570	A	94.3	Very high	87.2	Confident	5 Å²	5	54.6 Å²	54.6	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	155.3	176.8	0	0	0	0	0	114.1	T450 L459 F548	T450-A570 PolarHBondContact OG1-N 3.37Å; T450-A570 PolarHBondContact OG1-O 2.95Å; L459-A570 HydrophobicContact CD2-CB 3.85Å; F548-A570 CarbonylContact O-C 3.56Å; F548-A570 VanDerWaalsContact O-CA 3.24Å; F548-A570 WeakPolarHBondContact O-CA 3.4Å
571	A	94.4	Very high	87.7	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.2	-178.4	0	0	0	0	0	112.2	E539 C547 F548 L550 Y573	E539-A571 HydrophobicContact CG-CB 3.95Å; E539-A571 WeakPolarHBondContact OE2-CA 3.47Å; E539-A571 WeakPolarHBondContact OE2-CB 3.33Å; C547-A571 WeakPolarHBondContact CA-O 3.49Å; F548-A571 PolarHBondContact N-O 3.02Å; F548-A571 PolarHBondContact O-N 3.47Å; L550-A571 HydrophobicContact CD1-CB 3.97Å; L550-A571 HydrophobicContact CD2-CB 3.99Å; L550-A571 HydrophobicContact CG-CB 4.13Å; A571-Y573 HydrophobicContact CB-CE2 3.66Å
572	C	95.9	Very high	88.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.6	-178.1	-65.4	0	0	0	0	112.8	C523 E539 Q540 Y541 A546	C523-C572 WeakPolarHBondContact CA-SG 3.29Å; C523-C572 HydrophobicContact CB-CB 3.63Å; C523-C572 WeakPolarHBondContact CB-SG 3.42Å; C523-C572 WeakPolarHBondContact SG-CB 3.48Å; C523-C572 CovalentContact SG-SG 2.04Å; C523-C572 PolarHBondContact SG-SG 3.39Å; E539-C572 CarbonylContact C-O 3.52Å; E539-C572 VanDerWaalsContact CA-O 3.24Å; E539-C572 WeakPolarHBondContact CA-O 2.8Å; E539-C572 WeakPolarHBondContact CB-O 3.3Å; E539-C572 PolarHBondContact OE2-N 3.43Å; Q540-C572 PolarHBondContact N-O 2.84Å; Y541-C572 HydrophobicContact CD1-CB 4.21Å; Y541-C572 HydrophobicContact CD2-CB 3.97Å; Y541-C572 HydrophobicContact CE1-CB 3.89Å; Y541-C572 WeakPolarHBondContact CE1-SG 3.29Å; Y541-C572 HydrophobicContact CE2-CB 3.62Å; Y541-C572 HydrophobicContact CG-CB 4.26Å; Y541-C572 PolarHBondContact OH-SG 3.31Å; A546-C572 WeakPolarHBondContact O-CA 3.34Å
573	Y	96.7	Very high	88.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148.3	179.1	-60.7	-78.4	0	0	0	112.1	A537 L538 S545 A546 F548 L550 W554 A571 L584 L586 I617	A537-Y573 VanDerWaalsContact O-CE1 3.26Å; A537-Y573 WeakPolarHBondContact O-CE1 3.49Å; A537-Y573 PolarHBondContact O-OH 3.31Å; L538-Y573 WeakPolarHBondContact O-CE1 3.34Å; S545-Y573 CarbonylContact C-O 3.48Å; S545-Y573 WeakPolarHBondContact CA-O 3.37Å; A546-Y573 PolarHBondContact N-O 2.94Å; A546-Y573 PolarHBondContact O-N 3.45Å; F548-Y573 HydrophobicContact CB-CD2 3.84Å; F548-Y573 HydrophobicContact CB-CE2 4.25Å; F548-Y573 AromaticContact CD2-CD2 3.84Å; F548-Y573 HydrophobicContact CD2-CD2 3.84Å; F548-Y573 HydrophobicContact CD2-CG 4.36Å; F548-Y573 HydrophobicContact CG-CD2 4.08Å; L550-Y573 HydrophobicContact CD2-CE2 4.21Å; W554-Y573 VanDerWaalsContact CZ2-OH 3.24Å; W554-Y573 WeakPolarHBondContact CZ2-OH 3.49Å; W554-Y573 PolarHBondContact NE1-OH 3.35Å; A571-Y573 HydrophobicContact CB-CE2 3.66Å; Y573-L584 HydrophobicContact CD2-CD1 4.15Å; Y573-L584 HydrophobicContact CG-CD1 3.79Å; Y573-L586 HydrophobicContact CD1-CD2 3.53Å; Y573-L586 HydrophobicContact CE1-CD2 3.55Å; Y573-L586 HydrophobicContact CG-CD2 4.45Å; Y573-I617 HydrophobicContact CD1-CD1 4.44Å; Y573-I617 HydrophobicContact CD2-CD1 4.22Å; Y573-I617 HydrophobicContact CE1-CD1 3.92Å; Y573-I617 HydrophobicContact CE2-CD1 3.64Å; Y573-I617 HydrophobicContact CE2-CG1 4.02Å; Y573-I617 HydrophobicContact CE2-CG2 4.44Å; Y573-I617 VanDerWaalsContact CZ-CD1 3.49Å
574	E	96.7	Very high	89.3	Confident	58 Å²	58	36.1 Å²	36.1	27%	0.271	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140.9	170.9	178.4	173.7	-154.2	0	0	110.2	Q540 N544 H585	Q540-E574 HydrophobicContact CB-CB 4.44Å; Q540-E574 HydrophobicContact CG-CB 4.28Å; Q540-E574 PolarHBondContact NE2-OE2 3.08Å; Q540-E574 PolarHBondContact OE1-OE2 3.43Å; N544-E574 HydrophobicContact CB-CG 4.38Å; N544-E574 WeakPolarHBondContact O-CA 3.48Å; E574-H585 HydrophobicContact CB-CB 4.08Å; E574-H585 HydrophobicContact CG-CB 4.21Å; E574-H585 PolarHBondContact O-N 3.24Å
575	Y	96.4	Very high	90	Very high	60 Å²	60	34.7 Å²	34.7	24%	0.235	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	160.8	177.3	76.9	-80.4	0	0	0	112	N544 A546 L582 W583 L625	N544-Y575 WeakPolarHBondContact O-CD1 3.42Å; N544-Y575 PolarHBondContact O-N 2.84Å; A546-Y575 HydrophobicContact CB-CD1 3.62Å; A546-Y575 HydrophobicContact CB-CE1 3.61Å; Y575-L582 HydrophobicContact CD2-CD1 3.6Å; Y575-L582 HydrophobicContact CG-CD1 4.15Å; Y575-W583 CarbonylContact C-O 3.49Å; Y575-W583 WeakPolarHBondContact CA-O 3.17Å; Y575-W583 WeakPolarHBondContact CB-O 3.41Å; Y575-L625 HydrophobicContact CD2-CB 4.27Å; Y575-L625 HydrophobicContact CD2-CD1 4.33Å; Y575-L625 HydrophobicContact CE2-CB 3.89Å; Y575-L625 HydrophobicContact CG-CD1 4.33Å
576	S	95.7	Very high	90.7	Very high	27 Å²	27	33.4 Å²	33.4	19%	0.189	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	138.7	171.3	67.4	0	0	0	0	111.4	W583 H585	S576-W583 PolarHBondContact N-O 2.97Å; S576-W583 WeakPolarHBondContact O-CB 2.99Å; S576-W583 PolarHBondContact O-N 2.96Å; S576-H585 WeakPolarHBondContact CB-NE2 3.22Å; S576-H585 PolarHBondContact OG-NE2 2.81Å
577	C	96	Very high	92	Very high	42 Å²	42	32.8 Å²	32.8	28%	0.284	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	99.3	174.5	-59.8	0	0	0	0	108.8	R581 C626 F631	C577-R581 WeakPolarHBondContact CA-O 2.96Å; C577-C626 HydrophobicContact CB-CB 3.77Å; C577-C626 WeakPolarHBondContact CB-SG 3.39Å; C577-C626 WeakPolarHBondContact SG-CA 3.37Å; C577-C626 WeakPolarHBondContact SG-CB 3.38Å; C577-C626 CovalentContact SG-SG 2.03Å; C577-C626 PolarHBondContact SG-SG 3.47Å; C577-F631 HydrophobicContact CB-CD1 4.41Å; C577-F631 HydrophobicContact CB-CD2 3.9Å; C577-F631 HydrophobicContact CB-CE1 4.05Å; C577-F631 HydrophobicContact CB-CE2 3.54Å; C577-F631 HydrophobicContact CB-CG 4.29Å; C577-F631 HydrophobicContact CB-CZ 3.57Å; C577-F631 WeakPolarHBondContact O-CE2 3.32Å
578	V	94.4	Very high	92.8	Very high	53 Å²	53	35.4 Å²	35.4	32%	0.321	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.3	-174.1	-174.7	0	0	0	0	109.9	G580 R581 W583	V578-G580 PolarHBondContact O-N 3.34Å; V578-R581 PolarHBondContact N-O 3.15Å; V578-R581 PolarHBondContact O-N 3.3Å; V578-W583 PolarHBondContact O-NE1 2.83Å; V578-W583 VanDerWaalsContact O-NE1 3.17Å
579	D	93	Very high	92.7	Very high	127 Å²	127	33.9 Å²	33.9	68%	0.679	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	38.6	179.6	-54.5	-37.6	0	0	0	113.4	R581	D579-R581 PolarHBondContact O-N 2.67Å
580	G	94.2	Very high	92.1	Very high	11 Å²	11	40.2 Å²	40.2	11%	0.113	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	17.7	-178.4	0	0	0	0	0	114.4	V578 F631 T632 C633 L634	V578-G580 PolarHBondContact O-N 3.34Å; G580-F631 VanDerWaalsContact CA-CZ 3.43Å; G580-T632 WeakPolarHBondContact CA-O 3.1Å; G580-C633 CarbonylContact O-C 3.53Å; G580-C633 WeakPolarHBondContact O-CA 3.49Å; G580-L634 PolarHBondContact O-N 3.3Å
581	R	95.3	Very high	91.5	Very high	45 Å²	45	43.1 Å²	43.1	17%	0.17	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.9	178.6	-174.4	167.3	-63.1	170.9	-3.8	113.4	C577 V578 D579 W583 P594 Y596 F631 E636	C577-R581 WeakPolarHBondContact CA-O 2.96Å; V578-R581 PolarHBondContact N-O 3.15Å; V578-R581 PolarHBondContact O-N 3.3Å; D579-R581 PolarHBondContact O-N 2.67Å; R581-W583 VanDerWaalsContact O-CD1 3.24Å; R581-P594 HydrophobicContact CG-CB 4.45Å; R581-Y596 VanDerWaalsContact CZ-CD1 3.41Å; R581-F631 VanDerWaalsContact N-CZ 3.3Å; R581-E636 IonicContact CZ-OE2 2.69Å; R581-E636 IonicContact NH1-OE2 3.89Å; R581-E636 IonicContact NH2-OE2 3.86Å; R581-E636 PolarHBondContact NH2-OE2 3.24Å
582	L	96.8	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.7	167.4	173.9	62.3	0	0	0	109.8	F548 Y575 C595 P620 C622 L625	F548-L582 HydrophobicContact CE1-CD2 4.47Å; Y575-L582 HydrophobicContact CD2-CD1 3.6Å; Y575-L582 HydrophobicContact CG-CD1 4.15Å; L582-C595 HydrophobicContact CB-CB 4.13Å; L582-C595 HydrophobicContact CD2-CB 3.96Å; L582-C595 HydrophobicContact CG-CB 4.05Å; L582-C595 PolarHBondContact O-N 3.44Å; L582-P620 HydrophobicContact CD2-CG 3.88Å; L582-C622 HydrophobicContact CB-CB 4.24Å; L582-L625 HydrophobicContact CD1-CB 4.32Å; L582-L625 HydrophobicContact CD1-CD1 4.01Å; L582-L625 HydrophobicContact CD2-CD1 3.97Å
583	W	96.7	Very high	91.3	Very high	38 Å²	38	48.6 Å²	48.6	14%	0.144	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.8	175.8	-61.8	86.6	0	0	0	110.6	Y575 S576 V578 R581 R592 Y593 P594	Y575-W583 CarbonylContact C-O 3.49Å; Y575-W583 WeakPolarHBondContact CA-O 3.17Å; Y575-W583 WeakPolarHBondContact CB-O 3.41Å; S576-W583 PolarHBondContact N-O 2.97Å; S576-W583 WeakPolarHBondContact O-CB 2.99Å; S576-W583 PolarHBondContact O-N 2.96Å; V578-W583 PolarHBondContact O-NE1 2.83Å; V578-W583 VanDerWaalsContact O-NE1 3.17Å; R581-W583 VanDerWaalsContact O-CD1 3.24Å; W583-R592 HydrophobicContact CB-CB 4.44Å; W583-R592 HydrophobicContact CD2-CG 4.17Å; W583-R592 HydrophobicContact CE3-CB 4.02Å; W583-R592 HydrophobicContact CE3-CG 3.45Å; W583-R592 VanDerWaalsContact CE3-CG 3.45Å; W583-R592 HydrophobicContact CZ3-CG 3.85Å; W583-Y593 CarbonylContact C-O 3.52Å; W583-Y593 WeakPolarHBondContact CA-O 3.32Å; W583-P594 HydrophobicContact CE3-CB 3.99Å; W583-P594 HydrophobicContact CH2-CB 4.12Å; W583-P594 HydrophobicContact CZ3-CB 3.77Å; W583-P594 HydrophobicContact CZ3-CG 4.03Å
584	L	96.8	Very high	91.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134	175.2	175	77.1	0	0	0	110.1	F548 Y573 L586 R592 Y593 I602 I617	F548-L584 HydrophobicContact CD1-CD1 4.02Å; F548-L584 HydrophobicContact CD2-CD1 3.92Å; F548-L584 HydrophobicContact CE1-CD1 3.85Å; F548-L584 HydrophobicContact CE2-CD1 3.74Å; F548-L584 HydrophobicContact CG-CD1 4.07Å; F548-L584 HydrophobicContact CZ-CD1 3.71Å; Y573-L584 HydrophobicContact CD2-CD1 4.15Å; Y573-L584 HydrophobicContact CG-CD1 3.79Å; L584-L586 HydrophobicContact CD2-CD2 4.42Å; L584-R592 CarbonylContact O-C 3.5Å; L584-R592 WeakPolarHBondContact O-CA 3.3Å; L584-Y593 PolarHBondContact N-O 2.77Å; L584-Y593 PolarHBondContact O-N 3.08Å; L584-I602 HydrophobicContact CD2-CD1 3.83Å; L584-I617 HydrophobicContact CD2-CB 4.38Å; L584-I617 HydrophobicContact CD2-CD1 3.65Å; L584-I617 HydrophobicContact CD2-CG2 4.04Å
585	H	95.1	Very high	91.3	Very high	40 Å²	40	46.6 Å²	46.6	19%	0.185	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.5	175.6	-54.2	-85.3	0	0	0	109.9	E574 S576	E574-H585 HydrophobicContact CB-CB 4.08Å; E574-H585 HydrophobicContact CG-CB 4.21Å; E574-H585 PolarHBondContact O-N 3.24Å; S576-H585 WeakPolarHBondContact CB-NE2 3.22Å; S576-H585 PolarHBondContact OG-NE2 2.81Å
586	L	91.3	Very high	91.3	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	26%	0.256	C	S	.	.			trans	-105.4	147.9	174.6	-60.6	-177.2	0	0	0	109.7	Y573 L584 N588 G589 Y593 V604 I617	Y573-L586 HydrophobicContact CD1-CD2 3.53Å; Y573-L586 HydrophobicContact CE1-CD2 3.55Å; Y573-L586 HydrophobicContact CG-CD2 4.45Å; L584-L586 HydrophobicContact CD2-CD2 4.42Å; L586-N588 PolarHBondContact O-N 3.43Å; L586-G589 PolarHBondContact O-N 3.28Å; L586-Y593 HydrophobicContact CD1-CD2 4.32Å; L586-Y593 HydrophobicContact CD1-CE2 3.49Å; L586-Y593 VanDerWaalsContact CD1-CE2 3.49Å; L586-Y593 HydrophobicContact CG-CD2 4.25Å; L586-Y593 HydrophobicContact CG-CE2 3.81Å; L586-V604 HydrophobicContact CD1-CB 4.33Å; L586-V604 HydrophobicContact CD1-CG1 3.51Å; L586-V604 HydrophobicContact CD1-CG2 3.82Å; L586-I617 HydrophobicContact CD2-CD1 3.81Å
587	L	86.9	Confident	91.2	Very high	34 Å²	34	49.5 Å²	49.5	18%	0.178	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	134.5	179.2	-175.8	66.8	0	0	0	112	M529 N535 L538 Q540 G589	M529-L587 HydrophobicContact CE-CD1 3.52Å; M529-L587 HydrophobicContact CE-CD2 3.45Å; M529-L587 VanDerWaalsContact CE-CD2 3.45Å; M529-L587 HydrophobicContact CE-CG 4.04Å; N535-L587 WeakPolarHBondContact ND2-CD2 3.46Å; L538-L587 PolarHBondContact O-N 2.98Å; Q540-L587 HydrophobicContact CB-CB 4.49Å; Q540-L587 HydrophobicContact CG-CD1 4.29Å; L587-G589 PolarHBondContact O-N 2.71Å
588	N	79.9	Confident	91.1	Very high	126 Å²	126	52.5 Å²	52.5	67%	0.674	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	18.8	180	-63.1	-27.8	0	0	0	114.1	L586	L586-N588 PolarHBondContact O-N 3.43Å
589	G	71.6	Confident	91.1	Very high	26 Å²	26	51.8 Å²	51.8	27%	0.268	29%	0.287	S	S	.	.			trans	-96.5	133.8	177.1	0	0	0	0	0	112.6	L586 L587	L586-G589 PolarHBondContact O-N 3.28Å; L587-G589 PolarHBondContact O-N 2.71Å
590	T	75.2	Confident	91.3	Very high	147 Å²	147	45.8 Å²	45.8	90%	0.902	26%	0.255	S	S	*	.	S	Bend	trans	-81.8	-28.1	166.4	51.9	0	0	0	0	112.2
591	S	82	Confident	91.4	Very high	67 Å²	67	48.7 Å²	48.7	47%	0.469	27%	0.265	S	S	.	.			trans	-85.1	130	178.9	-32.7	0	0	0	0	111.6	R606	S591-R606 PolarHBondContact O-NH2 2.73Å; S591-R606 VanDerWaalsContact O-NH2 3.12Å
592	R	92.2	Very high	91.5	Very high	108 Å²	108	46.6 Å²	46.6	41%	0.408	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.7	170.6	57.5	179	-173.8	-171	3.1	111.2	W583 L584	W583-R592 HydrophobicContact CB-CB 4.44Å; W583-R592 HydrophobicContact CD2-CG 4.17Å; W583-R592 HydrophobicContact CE3-CB 4.02Å; W583-R592 HydrophobicContact CE3-CG 3.45Å; W583-R592 VanDerWaalsContact CE3-CG 3.45Å; W583-R592 HydrophobicContact CZ3-CG 3.85Å; L584-R592 CarbonylContact O-C 3.5Å; L584-R592 WeakPolarHBondContact O-CA 3.3Å
593	Y	95.3	Very high	91.4	Very high	8 Å²	8	48.4 Å²	48.4	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.8	-179.8	-60.8	-90.4	0	0	0	111	W583 L584 L586 I602 R606 L643 D645	W583-Y593 CarbonylContact C-O 3.52Å; W583-Y593 WeakPolarHBondContact CA-O 3.32Å; L584-Y593 PolarHBondContact N-O 2.77Å; L584-Y593 PolarHBondContact O-N 3.08Å; L586-Y593 HydrophobicContact CD1-CD2 4.32Å; L586-Y593 HydrophobicContact CD1-CE2 3.49Å; L586-Y593 VanDerWaalsContact CD1-CE2 3.49Å; L586-Y593 HydrophobicContact CG-CD2 4.25Å; L586-Y593 HydrophobicContact CG-CE2 3.81Å; Y593-I602 HydrophobicContact CD1-CG2 3.42Å; Y593-I602 VanDerWaalsContact CD1-CG2 3.42Å; Y593-I602 HydrophobicContact CD2-CG2 4.4Å; Y593-I602 HydrophobicContact CE1-CG2 3.88Å; Y593-I602 HydrophobicContact CG-CD1 4.46Å; Y593-I602 HydrophobicContact CG-CG2 3.72Å; Y593-R606 VanDerWaalsContact CE2-NH2 3.26Å; Y593-R606 VanDerWaalsContact CZ-NH2 3.31Å; Y593-R606 PolarHBondContact OH-NE 3.08Å; Y593-R606 PolarHBondContact OH-NH2 3.14Å; Y593-L643 HydrophobicContact CD1-CD2 3.87Å; Y593-D645 VanDerWaalsContact CE1-OD1 3.27Å; Y593-D645 WeakPolarHBondContact CE1-OD1 3.25Å; Y593-D645 PolarHBondContact OH-OD1 2.69Å; Y593-D645 PolarHBondContact OH-OD2 3.47Å
594	P	95.8	Very high	91.3	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.071	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132	174.9	28	-32.2	0	0	0	111.6	R581 W583 Y596 Q600 L643	R581-P594 HydrophobicContact CG-CB 4.45Å; W583-P594 HydrophobicContact CE3-CB 3.99Å; W583-P594 HydrophobicContact CH2-CB 4.12Å; W583-P594 HydrophobicContact CZ3-CB 3.77Å; W583-P594 HydrophobicContact CZ3-CG 4.03Å; P594-Y596 HydrophobicContact CB-CD2 4.23Å; P594-Y596 HydrophobicContact CB-CE1 4.29Å; P594-Y596 HydrophobicContact CB-CE2 3.81Å; P594-Y596 HydrophobicContact CG-CD2 4.22Å; P594-Y596 HydrophobicContact CG-CE1 4.48Å; P594-Y596 HydrophobicContact CG-CE2 3.41Å; P594-Y596 VanDerWaalsContact CG-CE2 3.41Å; P594-Y596 WeakPolarHBondContact CG-OH 3.4Å; P594-Q600 PolarHBondContact O-OE1 3.24Å; P594-L643 HydrophobicContact CG-CD2 4.03Å
595	C	96.7	Very high	91	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	104.9	162.8	-75	0	0	0	0	109.3	L582 C619	L582-C595 HydrophobicContact CB-CB 4.13Å; L582-C595 HydrophobicContact CD2-CB 3.96Å; L582-C595 HydrophobicContact CG-CB 4.05Å; L582-C595 PolarHBondContact O-N 3.44Å; C595-C619 WeakPolarHBondContact CA-SG 3.41Å; C595-C619 HydrophobicContact CB-CB 3.58Å; C595-C619 WeakPolarHBondContact CB-SG 3.38Å; C595-C619 WeakPolarHBondContact SG-CB 3.43Å; C595-C619 CovalentContact SG-SG 2.05Å; C595-C619 PolarHBondContact SG-SG 3.3Å
596	Y	95.5	Very high	90.8	Very high	59 Å²	59	49.6 Å²	49.6	23%	0.231	27%	0.268	C	S	.	.			trans	-86.5	-34.5	-177.3	-62.6	-83.8	0	0	0	113	R581 P594 E636 P639 P640	R581-Y596 VanDerWaalsContact CZ-CD1 3.41Å; P594-Y596 HydrophobicContact CB-CD2 4.23Å; P594-Y596 HydrophobicContact CB-CE1 4.29Å; P594-Y596 HydrophobicContact CB-CE2 3.81Å; P594-Y596 HydrophobicContact CG-CD2 4.22Å; P594-Y596 HydrophobicContact CG-CE1 4.48Å; P594-Y596 HydrophobicContact CG-CE2 3.41Å; P594-Y596 VanDerWaalsContact CG-CE2 3.41Å; P594-Y596 WeakPolarHBondContact CG-OH 3.4Å; Y596-E636 HydrophobicContact CD1-CB 3.55Å; Y596-E636 HydrophobicContact CD1-CG 3.54Å; Y596-E636 HydrophobicContact CE1-CB 4.33Å; Y596-E636 HydrophobicContact CE1-CG 3.88Å; Y596-E636 WeakPolarHBondContact CE1-OE2 3.46Å; Y596-E636 HydrophobicContact CG-CB 4.21Å; Y596-E636 HydrophobicContact CG-CG 4.29Å; Y596-P639 HydrophobicContact CG-CB 4.29Å; Y596-P640 HydrophobicContact CD2-CG 4.3Å; Y596-P640 HydrophobicContact CE2-CG 4.06Å
597	E	93.8	Very high	90.6	Very high	88 Å²	88	52.9 Å²	52.9	41%	0.411	29%	0.292	S	S	.	.	S	Bend	trans	-150	161.2	-179.8	64.9	179.9	178.9	0	0	111.6	Q600 P639	E597-Q600 HydrophobicContact CG-CB 4.09Å; E597-Q600 WeakPolarHBondContact O-CB 3.29Å; E597-Q600 PolarHBondContact O-N 2.91Å; E597-P639 VanDerWaalsContact CD-CG 3.47Å; E597-P639 HydrophobicContact CG-CB 4.17Å; E597-P639 HydrophobicContact CG-CG 4.14Å; E597-P639 VanDerWaalsContact OE2-CG 3.3Å; E597-P639 WeakPolarHBondContact OE2-CG 3.15Å
598	V	93.9	Very high	90.5	Very high	106 Å²	106	52.6 Å²	52.6	64%	0.642	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	134.7	175.7	66.1	0	0	0	0	110.3	Q600	V598-Q600 VanDerWaalsContact C-N 3.28Å; V598-Q600 PolarHBondContact O-N 3.04Å
599	G	94.9	Very high	90.6	Very high	38 Å²	38	50.2 Å²	50.2	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-1.9	-179.6	0	0	0	0	0	114.6	H601 C619	G599-H601 PolarHBondContact O-CD2 3.46Å; G599-H601 VanDerWaalsContact O-CD2 3.28Å; G599-H601 PolarHBondContact O-N 3.38Å; G599-C619 PolarHBondContact N-O 3.43Å
600	Q	96.8	Very high	91.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	31%	0.305	C	S	.	.			trans	-59.8	134.3	172.6	178.9	-176.7	22.7	0	0	110.8	P594 E597 V598 V618 C619 P640	P594-Q600 PolarHBondContact O-OE1 3.24Å; E597-Q600 HydrophobicContact CG-CB 4.09Å; E597-Q600 WeakPolarHBondContact O-CB 3.29Å; E597-Q600 PolarHBondContact O-N 2.91Å; V598-Q600 VanDerWaalsContact C-N 3.28Å; V598-Q600 PolarHBondContact O-N 3.04Å; Q600-V618 WeakPolarHBondContact O-CA 3.26Å; Q600-C619 HydrophobicContact CB-CB 4.08Å; Q600-C619 PolarHBondContact O-N 3.41Å; Q600-P640 WeakPolarHBondContact CG-O 3.38Å; Q600-P640 PolarHBondContact NE2-O 2.95Å
601	H	97.3	Very high	91.8	Very high	72 Å²	72	47.3 Å²	47.3	33%	0.333	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.3	176.2	-75.5	-103.3	0	0	0	111.8	G599 S616 I617 S641 V642 L643	G599-H601 PolarHBondContact O-CD2 3.46Å; G599-H601 VanDerWaalsContact O-CD2 3.28Å; G599-H601 PolarHBondContact O-N 3.38Å; H601-S616 PolarHBondContact ND1-OG 3.46Å; H601-S616 VanDerWaalsContact ND1-OG 3.08Å; H601-I617 CarbonylContact C-O 3.59Å; H601-I617 WeakPolarHBondContact CA-O 3.49Å; H601-S641 PolarHBondContact N-O 3.19Å; H601-V642 HydrophobicContact CB-CG1 4.43Å; H601-V642 HydrophobicContact CB-CG2 4.27Å; H601-V642 CarbonylContact O-C 3.59Å; H601-V642 VanDerWaalsContact O-CA 3.28Å; H601-V642 WeakPolarHBondContact O-CA 3.4Å; H601-L643 PolarHBondContact O-N 3.32Å
602	I	96.3	Very high	92.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.1	169.2	-60.9	165.1	0	0	0	107.7	L584 Y593 V604 S616 I617 C619 L643	L584-I602 HydrophobicContact CD2-CD1 3.83Å; Y593-I602 HydrophobicContact CD1-CG2 3.42Å; Y593-I602 VanDerWaalsContact CD1-CG2 3.42Å; Y593-I602 HydrophobicContact CD2-CG2 4.4Å; Y593-I602 HydrophobicContact CE1-CG2 3.88Å; Y593-I602 HydrophobicContact CG-CD1 4.46Å; Y593-I602 HydrophobicContact CG-CG2 3.72Å; I602-V604 HydrophobicContact CG2-CG2 3.97Å; I602-S616 CarbonylContact O-C 3.4Å; I602-S616 VanDerWaalsContact O-CA 3.26Å; I602-S616 WeakPolarHBondContact O-CA 3.47Å; I602-I617 PolarHBondContact N-O 3.41Å; I602-I617 PolarHBondContact O-N 3.01Å; I602-C619 WeakPolarHBondContact CD1-SG 3.5Å; I602-L643 CarbonylContact C-O 3.27Å; I602-L643 WeakPolarHBondContact CA-O 3.5Å; I602-L643 HydrophobicContact CG1-CB 4.43Å
603	H	95.5	Very high	92.2	Very high	39 Å²	39	39.6 Å²	39.6	18%	0.181	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	103.1	177.5	-169.1	87	0	0	0	110.9	R605 E614 V642 L643 S644 D645	H603-R605 PolarHBondContact NE2-NE 3.43Å; H603-R605 PolarHBondContact NE2-NH2 3.35Å; H603-E614 IonicContact CD2-OE1 2.94Å; H603-E614 IonicContact CE1-OE1 3.44Å; H603-E614 IonicContact NE2-OE1 2.74Å; H603-E614 PolarHBondContact NE2-OE1 2.82Å; H603-V642 HydrophobicContact CB-CG1 4.26Å; H603-L643 PolarHBondContact N-O 3.47Å; H603-S644 PolarHBondContact CD2-OG 3.41Å; H603-S644 VanDerWaalsContact O-CA 3.31Å; H603-S644 WeakPolarHBondContact O-CA 3.26Å; H603-S644 PolarHBondContact O-OG 3.19Å; H603-D645 PolarHBondContact O-N 2.9Å
604	V	93.5	Very high	92.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136	-174	-178.1	0	0	0	0	110.2	W554 L586 I602 R606 E614 G615 I617 D645	W554-V604 HydrophobicContact CH2-CB 3.9Å; W554-V604 HydrophobicContact CH2-CG1 3.98Å; W554-V604 HydrophobicContact CH2-CG2 4.19Å; W554-V604 HydrophobicContact CZ3-CB 4.44Å; W554-V604 HydrophobicContact CZ3-CG1 4.34Å; L586-V604 HydrophobicContact CD1-CB 4.33Å; L586-V604 HydrophobicContact CD1-CG1 3.51Å; L586-V604 HydrophobicContact CD1-CG2 3.82Å; I602-V604 HydrophobicContact CG2-CG2 3.97Å; V604-R606 HydrophobicContact CG1-CG 4.01Å; V604-E614 VanDerWaalsContact O-CA 3.31Å; V604-E614 WeakPolarHBondContact O-CA 3.48Å; V604-G615 PolarHBondContact N-O 3.3Å; V604-G615 PolarHBondContact O-N 2.91Å; V604-I617 HydrophobicContact CG2-CD1 4.35Å; V604-D645 WeakPolarHBondContact CA-OD2 3.39Å
605	R	92.4	Very high	92	Very high	66 Å²	66	40.6 Å²	40.6	25%	0.249	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	100.1	173.1	-64	-178.8	177.6	126.6	1.7	109.4	H603 Y612 H613 E614 S644 D645 V648	H603-R605 PolarHBondContact NE2-NE 3.43Å; H603-R605 PolarHBondContact NE2-NH2 3.35Å; R605-Y612 HydrophobicContact CB-CE2 4.27Å; R605-Y612 WeakPolarHBondContact CD-OH 3.31Å; R605-Y612 WeakPolarHBondContact CG-OH 3.36Å; R605-H613 WeakPolarHBondContact CA-O 3.4Å; R605-E614 HydrophobicContact CG-CG 4.19Å; R605-E614 IonicContact CZ-OE1 3.27Å; R605-E614 IonicContact NE-OE1 2.9Å; R605-E614 PolarHBondContact NE-OE1 2.95Å; R605-E614 IonicContact NH2-OE1 2.65Å; R605-S644 PolarHBondContact NH1-OG 3.39Å; R605-D645 HydrophobicContact CB-CB 3.91Å; R605-D645 PolarHBondContact N-OD2 3Å; R605-V648 WeakPolarHBondContact O-CG2 3.29Å
606	R	89.4	Confident	91.9	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.3	-175.2	-68	-155.1	179.8	-174.2	8.5	113.5	L538 S591 Y593 V604 V608 Y612 H613 D645	L538-R606 HydrophobicContact CD1-CB 4.41Å; S591-R606 PolarHBondContact O-NH2 2.73Å; S591-R606 VanDerWaalsContact O-NH2 3.12Å; Y593-R606 VanDerWaalsContact CE2-NH2 3.26Å; Y593-R606 VanDerWaalsContact CZ-NH2 3.31Å; Y593-R606 PolarHBondContact OH-NE 3.08Å; Y593-R606 PolarHBondContact OH-NH2 3.14Å; V604-R606 HydrophobicContact CG1-CG 4.01Å; R606-V608 HydrophobicContact CB-CG2 4.41Å; R606-Y612 CarbonylContact O-C 3.57Å; R606-Y612 WeakPolarHBondContact O-CA 3.3Å; R606-H613 PolarHBondContact N-O 3.48Å; R606-H613 PolarHBondContact O-N 3.22Å; R606-D645 IonicContact NE-OD2 3.59Å
607	S	87.2	Confident	91.9	Very high	73 Å²	73	37.8 Å²	37.8	51%	0.51	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.9	165.3	-167	0	0	0	0	110.5	W611	S607-W611 CarbonylContact C-O 3.56Å; S607-W611 WeakPolarHBondContact CA-O 3.3Å; S607-W611 PolarHBondContact OG-O 2.99Å; S607-W611 VanDerWaalsContact OG-O 3.11Å
608	V	84.7	Confident	92.1	Very high	28 Å²	28	34.8 Å²	34.8	17%	0.17	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.2	179.7	-176.5	0	0	0	0	107.7	L538 R606 G610 W611	L538-V608 HydrophobicContact CD1-CG2 4.33Å; L538-V608 HydrophobicContact CD2-CB 4.35Å; L538-V608 HydrophobicContact CD2-CG2 3.98Å; R606-V608 HydrophobicContact CB-CG2 4.41Å; V608-G610 PolarHBondContact O-N 2.93Å; V608-W611 PolarHBondContact N-O 2.71Å; V608-W611 PolarHBondContact O-N 2.77Å
609	A	82.6	Confident	92.2	Very high	75 Å²	75	29.9 Å²	29.9	62%	0.62	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	37.1	178.1	0	0	0	0	0	114.9	W611	A609-W611 VanDerWaalsContact C-N 3.3Å; A609-W611 PolarHBondContact O-N 3.48Å
610	G	84.2	Confident	92.3	Very high	59 Å²	59	28.3 Å²	28.3	61%	0.608	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	0.8	-179.8	0	0	0	0	0	115.7	V608	V608-G610 PolarHBondContact O-N 2.93Å
611	W	87.8	Confident	92.1	Very high	53 Å²	53	30.3 Å²	30.3	20%	0.201	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.9	171.3	-67.9	92.7	0	0	0	110.7	Q556 N558 V561 S607 V608 A609	Q556-W611 HydrophobicContact CG-CB 3.81Å; Q556-W611 HydrophobicContact CG-CD2 3.97Å; Q556-W611 HydrophobicContact CG-CE3 3.61Å; Q556-W611 HydrophobicContact CG-CG 4.1Å; Q556-W611 HydrophobicContact CG-CZ3 4.38Å; Q556-W611 VanDerWaalsContact NE2-CG 3.25Å; N558-W611 HydrophobicContact CB-CD2 4.09Å; N558-W611 HydrophobicContact CB-CE3 3.67Å; N558-W611 HydrophobicContact CB-CZ3 3.95Å; N558-W611 VanDerWaalsContact CG-CZ3 3.49Å; N558-W611 WeakPolarHBondContact ND2-CH2 3.28Å; N558-W611 WeakPolarHBondContact ND2-CZ2 3.48Å; N558-W611 VanDerWaalsContact ND2-CZ3 3.3Å; N558-W611 WeakPolarHBondContact ND2-CZ3 3.45Å; V561-W611 HydrophobicContact CB-CH2 4.04Å; V561-W611 HydrophobicContact CB-CZ3 4.16Å; V561-W611 HydrophobicContact CG1-CH2 4.4Å; S607-W611 CarbonylContact C-O 3.56Å; S607-W611 WeakPolarHBondContact CA-O 3.3Å; S607-W611 PolarHBondContact OG-O 2.99Å; S607-W611 VanDerWaalsContact OG-O 3.11Å; V608-W611 PolarHBondContact N-O 2.71Å; V608-W611 PolarHBondContact O-N 2.77Å; A609-W611 VanDerWaalsContact C-N 3.3Å; A609-W611 PolarHBondContact O-N 3.48Å
612	Y	91.2	Very high	92	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.5	170.4	172.3	-87.2	0	0	0	109.1	Q556 R557 R605 R606 E614 V648 I650	Q556-Y612 CarbonylContact C-O 3.53Å; Q556-Y612 VanDerWaalsContact CA-O 3.24Å; Q556-Y612 WeakPolarHBondContact CA-O 3.17Å; R557-Y612 HydrophobicContact CG-CD1 3.71Å; R557-Y612 HydrophobicContact CG-CG 4.3Å; R557-Y612 PolarHBondContact N-O 3.12Å; R557-Y612 WeakPolarHBondContact O-CB 3.42Å; R557-Y612 PolarHBondContact O-N 2.88Å; R605-Y612 HydrophobicContact CB-CE2 4.27Å; R605-Y612 WeakPolarHBondContact CD-OH 3.31Å; R605-Y612 WeakPolarHBondContact CG-OH 3.36Å; R606-Y612 CarbonylContact O-C 3.57Å; R606-Y612 WeakPolarHBondContact O-CA 3.3Å; Y612-E614 HydrophobicContact CD1-CB 4.4Å; Y612-E614 HydrophobicContact CE1-CB 3.56Å; Y612-E614 HydrophobicContact CE1-CG 4.48Å; Y612-E614 VanDerWaalsContact CE1-OE2 3.26Å; Y612-E614 WeakPolarHBondContact CE1-OE2 3.4Å; Y612-E614 PolarHBondContact OH-OE2 3.11Å; Y612-V648 HydrophobicContact CD2-CB 4.18Å; Y612-V648 HydrophobicContact CD2-CG1 4.48Å; Y612-V648 HydrophobicContact CE2-CB 3.92Å; Y612-I650 HydrophobicContact CD1-CD1 4.35Å; Y612-I650 HydrophobicContact CD2-CD1 4.38Å; Y612-I650 HydrophobicContact CD2-CG1 4.2Å; Y612-I650 HydrophobicContact CG-CD1 3.79Å; Y612-I650 HydrophobicContact CG-CG1 4.09Å
613	H	91.3	Very high	91.8	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.028	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132	-177.9	-62.5	-109.7	0	0	0	109.1	G536 L538 W554 T555 Q556 R605 R606	G536-H613 PolarHBondContact O-ND1 3.25Å; L538-H613 HydrophobicContact CD1-CB 3.99Å; L538-H613 HydrophobicContact CG-CB 4.26Å; W554-H613 HydrophobicContact CZ3-CB 4.21Å; T555-H613 WeakPolarHBondContact O-CA 3.34Å; Q556-H613 PolarHBondContact NE2-CE1 2.64Å; Q556-H613 VanDerWaalsContact NE2-CE1 3.26Å; Q556-H613 PolarHBondContact NE2-NE2 2.67Å; R605-H613 WeakPolarHBondContact CA-O 3.4Å; R606-H613 PolarHBondContact N-O 3.48Å; R606-H613 PolarHBondContact O-N 3.22Å
614	E	93.2	Very high	91.6	Very high	40 Å²	40	32.7 Å²	32.7	19%	0.187	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	132	176.2	175.5	161.1	-151.4	0	0	111.3	T555 H603 V604 R605 Y612	T555-E614 PolarHBondContact N-O 3.32Å; T555-E614 PolarHBondContact O-N 2.88Å; T555-E614 PolarHBondContact OG1-O 3.3Å; H603-E614 IonicContact CD2-OE1 2.94Å; H603-E614 IonicContact CE1-OE1 3.44Å; H603-E614 IonicContact NE2-OE1 2.74Å; H603-E614 PolarHBondContact NE2-OE1 2.82Å; V604-E614 VanDerWaalsContact O-CA 3.31Å; V604-E614 WeakPolarHBondContact O-CA 3.48Å; R605-E614 HydrophobicContact CG-CG 4.19Å; R605-E614 IonicContact CZ-OE1 3.27Å; R605-E614 IonicContact NE-OE1 2.9Å; R605-E614 PolarHBondContact NE-OE1 2.95Å; R605-E614 IonicContact NH2-OE1 2.65Å; Y612-E614 HydrophobicContact CD1-CB 4.4Å; Y612-E614 HydrophobicContact CE1-CB 3.56Å; Y612-E614 HydrophobicContact CE1-CG 4.48Å; Y612-E614 VanDerWaalsContact CE1-OE2 3.26Å; Y612-E614 WeakPolarHBondContact CE1-OE2 3.4Å; Y612-E614 PolarHBondContact OH-OE2 3.11Å
615	G	93.7	Very high	91.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	171.6	-179.9	0	0	0	0	0	112	S552 V604	S552-G615 WeakPolarHBondContact OG-CA 3.38Å; V604-G615 PolarHBondContact N-O 3.3Å; V604-G615 PolarHBondContact O-N 2.91Å
616	S	94.9	Very high	91.7	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.049	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.9	176.5	175.6	0	0	0	0	110.9	L550 G551 S552 H601 I602	L550-S616 CarbonylContact C-O 3.57Å; L550-S616 WeakPolarHBondContact CA-O 3.43Å; G551-S616 PolarHBondContact N-O 3.35Å; S552-S616 PolarHBondContact N-O 2.91Å; S552-S616 PolarHBondContact OG-N 3.41Å; H601-S616 PolarHBondContact ND1-OG 3.46Å; H601-S616 VanDerWaalsContact ND1-OG 3.08Å; I602-S616 CarbonylContact O-C 3.4Å; I602-S616 VanDerWaalsContact O-CA 3.26Å; I602-S616 WeakPolarHBondContact O-CA 3.47Å
617	I	96.1	Very high	91.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.7	172.5	-58.9	169.4	0	0	0	108.1	F548 L550 W554 Y573 L584 L586 H601 I602 V604	F548-I617 HydrophobicContact CB-CG2 3.69Å; F548-I617 HydrophobicContact CD1-CG2 4.22Å; F548-I617 HydrophobicContact CG-CG2 4.25Å; L550-I617 HydrophobicContact CD2-CG1 4.03Å; W554-I617 HydrophobicContact CZ2-CD1 3.92Å; W554-I617 HydrophobicContact CZ2-CG1 3.9Å; Y573-I617 HydrophobicContact CD1-CD1 4.44Å; Y573-I617 HydrophobicContact CD2-CD1 4.22Å; Y573-I617 HydrophobicContact CE1-CD1 3.92Å; Y573-I617 HydrophobicContact CE2-CD1 3.64Å; Y573-I617 HydrophobicContact CE2-CG1 4.02Å; Y573-I617 HydrophobicContact CE2-CG2 4.44Å; Y573-I617 VanDerWaalsContact CZ-CD1 3.49Å; L584-I617 HydrophobicContact CD2-CB 4.38Å; L584-I617 HydrophobicContact CD2-CD1 3.65Å; L584-I617 HydrophobicContact CD2-CG2 4.04Å; L586-I617 HydrophobicContact CD2-CD1 3.81Å; H601-I617 CarbonylContact C-O 3.59Å; H601-I617 WeakPolarHBondContact CA-O 3.49Å; I602-I617 PolarHBondContact N-O 3.41Å; I602-I617 PolarHBondContact O-N 3.01Å; V604-I617 HydrophobicContact CG2-CD1 4.35Å
618	V	96.6	Very high	91.3	Very high	25 Å²	25	35.1 Å²	35.1	15%	0.152	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.8	178	-176.2	0	0	0	0	109.3	D549 Q600	D549-V618 HydrophobicContact CB-CB 4.22Å; D549-V618 PolarHBondContact O-N 2.85Å; Q600-V618 WeakPolarHBondContact O-CA 3.26Å
619	C	97	Very high	90.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	25%	0.251	C	S	.	.			trans	-72.4	131.5	179.7	-78.8	0	0	0	0	112.1	C595 G599 Q600 I602	C595-C619 WeakPolarHBondContact CA-SG 3.41Å; C595-C619 HydrophobicContact CB-CB 3.58Å; C595-C619 WeakPolarHBondContact CB-SG 3.38Å; C595-C619 WeakPolarHBondContact SG-CB 3.43Å; C595-C619 CovalentContact SG-SG 2.05Å; C595-C619 PolarHBondContact SG-SG 3.3Å; G599-C619 PolarHBondContact N-O 3.43Å; Q600-C619 HydrophobicContact CB-CB 4.08Å; Q600-C619 PolarHBondContact O-N 3.41Å; I602-C619 WeakPolarHBondContact CD1-SG 3.5Å
620	P	95.6	Very high	91	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.039	26%	0.264	C	S	.	.			trans	-76.4	178.2	168.2	34.3	-35.8	0	0	0	111.1	F548 L582 L625	F548-P620 HydrophobicContact CD1-CG 4.17Å; F548-P620 HydrophobicContact CE1-CG 3.93Å; L582-P620 HydrophobicContact CD2-CG 3.88Å; P620-L625 HydrophobicContact CG-CD1 3.91Å; P620-L625 HydrophobicContact CG-CG 4.4Å
621	S	93.9	Very high	91.3	Very high	42 Å²	42	45.4 Å²	45.4	29%	0.294	24%	0.244	S	C	.	.			trans	-66	140.8	168.3	67.5	0	0	0	0	109.9	E623 S624	S621-E623 PolarHBondContact O-N 2.89Å; S621-S624 WeakPolarHBondContact O-CB 3.47Å; S621-S624 PolarHBondContact O-N 3.5Å; S621-S624 VanDerWaalsContact O-N 3.13Å; S621-S624 PolarHBondContact O-OG 3.47Å; S621-S624 VanDerWaalsContact OG-CB 3.3Å; S621-S624 WeakPolarHBondContact OG-CB 3.39Å; S621-S624 PolarHBondContact OG-N 3.3Å; S621-S624 PolarHBondContact OG-OG 2.91Å
622	C	95.4	Very high	91.6	Very high	19 Å²	19	47.9 Å²	47.9	13%	0.128	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-38.8	176.8	172.8	0	0	0	0	111.3	L582 S624 L625 C626 C633	L582-C622 HydrophobicContact CB-CB 4.24Å; C622-S624 PolarHBondContact O-N 3.42Å; C622-L625 PolarHBondContact O-N 3.47Å; C622-C626 WeakPolarHBondContact O-CB 3.09Å; C622-C626 PolarHBondContact O-N 2.95Å; C622-C633 HydrophobicContact CB-CB 3.61Å; C622-C633 WeakPolarHBondContact CB-SG 3.42Å; C622-C633 WeakPolarHBondContact SG-CB 3.3Å; C622-C633 CovalentContact SG-SG 2.04Å; C622-C633 PolarHBondContact SG-SG 3.31Å
623	E	92.4	Very high	91.8	Very high	112 Å²	112	48.7 Å²	48.7	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-66.4	-22.3	-179.9	-59.7	83.4	178.7	0	0	113.2	S621 C633	S621-E623 PolarHBondContact O-N 2.89Å; E623-C633 HydrophobicContact CG-CB 4.3Å; E623-C633 PolarHBondContact N-SG 2.95Å
624	S	90.2	Very high	91.9	Very high	31 Å²	31	53.6 Å²	53.6	22%	0.217	30%	0.297	C	S	.	.	H	α-helix	trans	-70.1	-32.1	178	68.2	0	0	0	0	113.4	S621 C622 K627	S621-S624 WeakPolarHBondContact O-CB 3.47Å; S621-S624 PolarHBondContact O-N 3.5Å; S621-S624 VanDerWaalsContact O-N 3.13Å; S621-S624 PolarHBondContact O-OG 3.47Å; S621-S624 VanDerWaalsContact OG-CB 3.3Å; S621-S624 WeakPolarHBondContact OG-CB 3.39Å; S621-S624 PolarHBondContact OG-N 3.3Å; S621-S624 PolarHBondContact OG-OG 2.91Å; C622-S624 PolarHBondContact O-N 3.42Å; S624-K627 WeakPolarHBondContact O-CE 2.91Å
625	L	93.2	Very high	91.9	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-106.5	-38.3	-178.8	-65.6	-178.5	0	0	0	112	R456 A546 F548 Y575 L582 P620 C622 K627	R456-L625 HydrophobicContact CB-CD2 3.95Å; A546-L625 HydrophobicContact CB-CD1 4Å; A546-L625 HydrophobicContact CB-CD2 3.67Å; F548-L625 HydrophobicContact CE1-CD1 4.2Å; F548-L625 HydrophobicContact CE2-CD1 4.28Å; F548-L625 HydrophobicContact CZ-CD1 3.67Å; Y575-L625 HydrophobicContact CD2-CB 4.27Å; Y575-L625 HydrophobicContact CD2-CD1 4.33Å; Y575-L625 HydrophobicContact CE2-CB 3.89Å; Y575-L625 HydrophobicContact CG-CD1 4.33Å; L582-L625 HydrophobicContact CD1-CB 4.32Å; L582-L625 HydrophobicContact CD1-CD1 4.01Å; L582-L625 HydrophobicContact CD2-CD1 3.97Å; P620-L625 HydrophobicContact CG-CD1 3.91Å; P620-L625 HydrophobicContact CG-CG 4.4Å; C622-L625 PolarHBondContact O-N 3.47Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 2.7Å
626	C	94.3	Very high	91.8	Very high	9 Å²	9	63.8 Å²	63.8	6%	0.061	34%	0.342	C	S	.	.			trans	-87.5	63.8	-175	-57.8	0	0	0	0	112.6	C577 C622 A628 F631	C577-C626 HydrophobicContact CB-CB 3.77Å; C577-C626 WeakPolarHBondContact CB-SG 3.39Å; C577-C626 WeakPolarHBondContact SG-CA 3.37Å; C577-C626 WeakPolarHBondContact SG-CB 3.38Å; C577-C626 CovalentContact SG-SG 2.03Å; C577-C626 PolarHBondContact SG-SG 3.47Å; C622-C626 WeakPolarHBondContact O-CB 3.09Å; C622-C626 PolarHBondContact O-N 2.95Å; C626-A628 PolarHBondContact O-N 3.29Å; C626-F631 HydrophobicContact CB-CD1 3.33Å; C626-F631 HydrophobicContact CB-CE1 3.45Å; C626-F631 VanDerWaalsContact CB-CE1 3.45Å; C626-F631 HydrophobicContact CB-CG 4.09Å; C626-F631 HydrophobicContact CB-CZ 4.31Å
627	K	85.5	Confident	91.6	Very high	133 Å²	133	68.6 Å²	68.6	58%	0.578	37%	0.373	S	S	*	.			trans	-84.5	6.5	-175.4	-59.1	-176.8	-174.4	175.7	0	115.3	N455 S624 L625	N455-K627 PolarHBondContact OD1-NZ 2.96Å; S624-K627 WeakPolarHBondContact O-CE 2.91Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 2.7Å
628	A	83.2	Confident	91.3	Very high	70 Å²	70	75.5 Å²	75.5	58%	0.579	41%	0.41	S	S	*	.			trans	-67.4	142	-176.9	0	0	0	0	0	112.5	C626 N630 F631	C626-A628 PolarHBondContact O-N 3.29Å; A628-N630 PolarHBondContact O-N 2.9Å; A628-F631 HydrophobicContact CB-CB 4.36Å; A628-F631 PolarHBondContact O-N 2.9Å
629	D	76.5	Confident	91	Very high	168 Å²	168	75.9 Å²	75.9	90%	0.898	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-16	-170	-73	-30	0	0	0	116.1
630	N	84	Confident	90.8	Very high	167 Å²	167	78.4 Å²	78.4	89%	0.893	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	17.5	-179.5	-75.9	-23.5	0	0	0	113.6	A628	A628-N630 PolarHBondContact O-N 2.9Å
631	F	92.1	Very high	90.4	Very high	43 Å²	43	82 Å²	82	19%	0.189	46%	0.455	C	S	.	.			trans	-99.3	128.2	177.8	-164.9	-92.5	0	0	0	111.2	C577 G580 R581 C626 A628	C577-F631 HydrophobicContact CB-CD1 4.41Å; C577-F631 HydrophobicContact CB-CD2 3.9Å; C577-F631 HydrophobicContact CB-CE1 4.05Å; C577-F631 HydrophobicContact CB-CE2 3.54Å; C577-F631 HydrophobicContact CB-CG 4.29Å; C577-F631 HydrophobicContact CB-CZ 3.57Å; C577-F631 WeakPolarHBondContact O-CE2 3.32Å; G580-F631 VanDerWaalsContact CA-CZ 3.43Å; R581-F631 VanDerWaalsContact N-CZ 3.3Å; C626-F631 HydrophobicContact CB-CD1 3.33Å; C626-F631 HydrophobicContact CB-CE1 3.45Å; C626-F631 VanDerWaalsContact CB-CE1 3.45Å; C626-F631 HydrophobicContact CB-CG 4.09Å; C626-F631 HydrophobicContact CB-CZ 4.31Å; A628-F631 HydrophobicContact CB-CB 4.36Å; A628-F631 PolarHBondContact O-N 2.9Å
632	T	94.1	Very high	90.4	Very high	104 Å²	104	83.9 Å²	83.9	64%	0.638	46%	0.464	S	S	*	.			trans	-118.9	119.7	174.6	-57.2	0	0	0	0	109.3	G580 L634	G580-T632 WeakPolarHBondContact CA-O 3.1Å; T632-L634 PolarHBondContact O-N 2.83Å
633	C	94.4	Very high	90.3	Very high	24 Å²	24	85.1 Å²	85.1	16%	0.162	47%	0.469	C	S	.	.			trans	-70.9	115.5	176.5	-68.4	0	0	0	0	110.7	G580 C622 E623	G580-C633 CarbonylContact O-C 3.53Å; G580-C633 WeakPolarHBondContact O-CA 3.49Å; C622-C633 HydrophobicContact CB-CB 3.61Å; C622-C633 WeakPolarHBondContact CB-SG 3.42Å; C622-C633 WeakPolarHBondContact SG-CB 3.3Å; C622-C633 CovalentContact SG-SG 2.04Å; C622-C633 PolarHBondContact SG-SG 3.31Å; E623-C633 HydrophobicContact CG-CB 4.3Å; E623-C633 PolarHBondContact N-SG 2.95Å
634	L	94.2	Very high	90.2	Very high	109 Å²	109	82.4 Å²	82.4	57%	0.571	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-84.2	130.4	177.1	-63.1	178.3	0	0	0	109.9	G580 T632	G580-L634 PolarHBondContact O-N 3.3Å; T632-L634 PolarHBondContact O-N 2.83Å
635	K	92.1	Very high	90.2	Very high	188 Å²	188	82 Å²	82	82%	0.817	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-79	134.1	172.3	-65.1	-174.4	177.8	-175.9	0	110.2
636	E	92.3	Very high	90	Very high	67 Å²	67	86 Å²	86	31%	0.313	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-82.4	130.7	170.7	-177.1	63.8	-122.7	0	0	109.8	R581 Y596 N638 P639	R581-E636 IonicContact CZ-OE2 2.69Å; R581-E636 IonicContact NH1-OE2 3.89Å; R581-E636 IonicContact NH2-OE2 3.86Å; R581-E636 PolarHBondContact NH2-OE2 3.24Å; Y596-E636 HydrophobicContact CD1-CB 3.55Å; Y596-E636 HydrophobicContact CD1-CG 3.54Å; Y596-E636 HydrophobicContact CE1-CB 4.33Å; Y596-E636 HydrophobicContact CE1-CG 3.88Å; Y596-E636 WeakPolarHBondContact CE1-OE2 3.46Å; Y596-E636 HydrophobicContact CG-CB 4.21Å; Y596-E636 HydrophobicContact CG-CG 4.29Å; E636-N638 PolarHBondContact O-N 2.92Å; E636-P639 HydrophobicContact CB-CB 4.3Å; E636-P639 HydrophobicContact CG-CB 4.33Å; E636-P639 WeakPolarHBondContact O-CD 3.33Å
637	P	90.6	Very high	89.5	Confident	107 Å²	107	90.9 Å²	90.9	70%	0.695	52%	0.517	S	S	*	.	S	Bend	trans	-60.9	-37.6	-179.9	-29	36.2	0	0	0	114.9
638	N	90.9	Very high	89.3	Confident	145 Å²	145	87.2 Å²	87.2	78%	0.775	51%	0.505	S	S	*	.	S	Bend	trans	-135.8	74.1	-179.4	-67.8	-48.9	0	0	0	110.5	E636	E636-N638 PolarHBondContact O-N 2.92Å
639	P	89.9	Confident	89.1	Confident	34 Å²	34	95 Å²	95	22%	0.221	52%	0.519	C	S	.	.			trans	-69.7	135.5	-179.1	29.6	-32.8	0	0	0	110.4	Y596 E597 E636 S641	Y596-P639 HydrophobicContact CG-CB 4.29Å; E597-P639 VanDerWaalsContact CD-CG 3.47Å; E597-P639 HydrophobicContact CG-CB 4.17Å; E597-P639 HydrophobicContact CG-CG 4.14Å; E597-P639 VanDerWaalsContact OE2-CG 3.3Å; E597-P639 WeakPolarHBondContact OE2-CG 3.15Å; E636-P639 HydrophobicContact CB-CB 4.3Å; E636-P639 HydrophobicContact CG-CB 4.33Å; E636-P639 WeakPolarHBondContact O-CD 3.33Å; P639-S641 PolarHBondContact O-N 3.35Å
640	P	91.5	Very high	89.1	Confident	55 Å²	55	89.8 Å²	89.8	36%	0.357	49%	0.491	S	S	.	.			trans	-71.3	126.2	170.6	27.7	-30.8	0	0	0	109.3	Y596 Q600 V642	Y596-P640 HydrophobicContact CD2-CG 4.3Å; Y596-P640 HydrophobicContact CE2-CG 4.06Å; Q600-P640 WeakPolarHBondContact CG-O 3.38Å; Q600-P640 PolarHBondContact NE2-O 2.95Å; P640-V642 PolarHBondContact O-N 3.21Å
641	S	88.2	Confident	88.7	Confident	81 Å²	81	93.4 Å²	93.4	57%	0.566	49%	0.492	S	S	*	.	S	Bend	trans	-61.1	-30.5	177.9	57.7	0	0	0	0	113.2	H601 P639	H601-S641 PolarHBondContact N-O 3.19Å; P639-S641 PolarHBondContact O-N 3.35Å
642	V	92.9	Very high	88	Confident	82 Å²	82	94.9 Å²	94.9	50%	0.497	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.8	174.5	-172.8	0	0	0	0	110	H601 H603 P640	H601-V642 HydrophobicContact CB-CG1 4.43Å; H601-V642 HydrophobicContact CB-CG2 4.27Å; H601-V642 CarbonylContact O-C 3.59Å; H601-V642 VanDerWaalsContact O-CA 3.28Å; H601-V642 WeakPolarHBondContact O-CA 3.4Å; H603-V642 HydrophobicContact CB-CG1 4.26Å; P640-V642 PolarHBondContact O-N 3.21Å
643	L	93.1	Very high	86.6	Confident	44 Å²	44	93.1 Å²	93.1	23%	0.23	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.8	167.6	-176.7	64.1	0	0	0	108.4	Y593 P594 H601 I602 H603	Y593-L643 HydrophobicContact CD1-CD2 3.87Å; P594-L643 HydrophobicContact CG-CD2 4.03Å; H601-L643 PolarHBondContact O-N 3.32Å; I602-L643 CarbonylContact C-O 3.27Å; I602-L643 WeakPolarHBondContact CA-O 3.5Å; I602-L643 HydrophobicContact CG1-CB 4.43Å; H603-L643 PolarHBondContact N-O 3.47Å
644	S	91.6	Very high	84.7	Confident	56 Å²	56	95.6 Å²	95.6	39%	0.392	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.6	-176.7	-168.8	0	0	0	0	112.7	H603 R605	H603-S644 PolarHBondContact CD2-OG 3.41Å; H603-S644 VanDerWaalsContact O-CA 3.31Å; H603-S644 WeakPolarHBondContact O-CA 3.26Å; H603-S644 PolarHBondContact O-OG 3.19Å; R605-S644 PolarHBondContact NH1-OG 3.39Å
645	D	90.8	Very high	82.7	Confident	23 Å²	23	94.4 Å²	94.4	12%	0.123	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-62.8	147.4	167.4	-74.9	-21.6	0	0	0	111.1	Y593 H603 V604 R605 R606	Y593-D645 VanDerWaalsContact CE1-OD1 3.27Å; Y593-D645 WeakPolarHBondContact CE1-OD1 3.25Å; Y593-D645 PolarHBondContact OH-OD1 2.69Å; Y593-D645 PolarHBondContact OH-OD2 3.47Å; H603-D645 PolarHBondContact O-N 2.9Å; V604-D645 WeakPolarHBondContact CA-OD2 3.39Å; R605-D645 HydrophobicContact CB-CB 3.91Å; R605-D645 PolarHBondContact N-OD2 3Å; R606-D645 IonicContact NE-OD2 3.59Å
646	P	87.3	Confident	80.6	Confident	97 Å²	97	90.8 Å²	90.8	63%	0.63	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-60	150.3	173	27.5	-34.6	0	0	0	110.7	V648	P646-V648 PolarHBondContact O-N 3.35Å
647	P	83.4	Confident	78.5	Confident	112 Å²	112	93.5 Å²	93.5	73%	0.727	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-58.8	125.6	178	-22.7	32.7	0	0	0	112.1
648	V	83.1	Confident	76.4	Confident	55 Å²	55	96.2 Å²	96.2	33%	0.333	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-100.8	129.1	175	-175.1	0	0	0	0	109.6	R605 Y612 P646	R605-V648 WeakPolarHBondContact O-CG2 3.29Å; Y612-V648 HydrophobicContact CD2-CB 4.18Å; Y612-V648 HydrophobicContact CD2-CG1 4.48Å; Y612-V648 HydrophobicContact CE2-CB 3.92Å; P646-V648 PolarHBondContact O-N 3.35Å
649	R	78.5	Confident	74.3	Confident	233 Å²	233	92.3 Å²	92.3	88%	0.879	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-95	124.2	176	-68.7	-172.4	-174.3	-173.7	2.5	111
650	I	77.2	Confident	72.2	Confident	60 Å²	60	94.2 Å²	94.2	31%	0.308	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-80.8	122.2	168.4	-50.4	172.8	0	0	0	108.2	R557 Y612 C652	R557-I650 HydrophobicContact CG-CD1 3.81Å; Y612-I650 HydrophobicContact CD1-CD1 4.35Å; Y612-I650 HydrophobicContact CD2-CD1 4.38Å; Y612-I650 HydrophobicContact CD2-CG1 4.2Å; Y612-I650 HydrophobicContact CG-CD1 3.79Å; Y612-I650 HydrophobicContact CG-CG1 4.09Å; I650-C652 PolarHBondContact O-N 2.94Å
651	R	75.6	Confident	70.1	Confident	242 Å²	242	92.9 Å²	92.9	91%	0.913	54%	0.541	S	S	*	.			trans	-87.2	94.2	173.9	-68.4	-174.6	-178.4	-173.3	1.1	109.9	G653	R651-G653 PolarHBondContact O-N 2.67Å
652	C	76.3	Confident	68.4	Low	75 Å²	75	95.9 Å²	95.9	51%	0.507	55%	0.546	S	S	.	.			trans	-88	91	168.9	-57.8	0	0	0	0	109.3	C559 I650	C559-C652 WeakPolarHBondContact CA-SG 3.42Å; C559-C652 HydrophobicContact CB-CB 3.67Å; C559-C652 WeakPolarHBondContact CB-SG 3.22Å; C559-C652 WeakPolarHBondContact SG-CA 3.39Å; C559-C652 WeakPolarHBondContact SG-CB 3.32Å; C559-C652 CovalentContact SG-SG 2.04Å; C559-C652 PolarHBondContact SG-SG 3.42Å; I650-C652 PolarHBondContact O-N 2.94Å
653	G	65.4	Low	66.5	Low	66 Å²	66	99.3 Å²	99.3	68%	0.68	55%	0.554	S	S	*	*			trans	-77.8	126.5	176.2	0	0	0	0	0	111.4	R651 A655	R651-G653 PolarHBondContact O-N 2.67Å; G653-A655 PolarHBondContact O-N 3.41Å
654	C	54.5	Low	64.6	Low	77 Å²	77	102.9 Å²	102.9	52%	0.52	57%	0.573	S	S	.	*			trans	-72.3	54.4	162.1	-81.4	0	0	0	0	110.9	T656 L657	C654-T656 PolarHBondContact O-N 3.04Å; C654-L657 HydrophobicContact CB-CB 4.45Å
655	A	51.8	Low	63.2	Low	83 Å²	83	104.9 Å²	104.9	69%	0.686	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-14.7	-179.6	0	0	0	0	0	113.2	G653	G653-A655 PolarHBondContact O-N 3.41Å
656	T	48.1	Very low	62	Low	113 Å²	113	107.6 Å²	107.6	69%	0.693	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-10.5	179.7	40.3	0	0	0	0	115.3	C654 C660	C654-T656 PolarHBondContact O-N 3.04Å; T656-C660 PolarHBondContact O-N 2.94Å
657	L	47	Very low	60.8	Low	123 Å²	123	107.7 Å²	107.7	64%	0.644	59%	0.59	S	S	*	*	H	α-helix	trans	-79	-24.8	170.3	-77.3	171.3	0	0	0	112.5	C654 G661	C654-L657 HydrophobicContact CB-CB 4.45Å; L657-G661 PolarHBondContact O-N 3.37Å
658	F	47.4	Very low	59.9	Low	165 Å²	165	105 Å²	105	72%	0.724	57%	0.574	S	S	*	*	H	α-helix	trans	-72.4	-33.7	172.8	-80.2	-80.3	0	0	0	112.8	G661 E662	F658-G661 PolarHBondContact O-N 3.06Å; F658-E662 PolarHBondContact O-N 3.08Å; F658-E662 VanDerWaalsContact O-N 3.11Å
659	A	47.3	Very low	59.1	Low	62 Å²	62	106.8 Å²	106.8	51%	0.512	58%	0.581	S	S	.	*	H	α-helix	trans	-70.8	-35.9	176	0	0	0	0	0	113.1	F663	A659-F663 PolarHBondContact O-N 2.94Å
660	C	44.6	Very low	58.6	Low	75 Å²	75	99.4 Å²	99.4	51%	0.507	56%	0.561	S	S	.	*	H	α-helix	trans	-75.2	-32.4	172.5	-76.3	0	0	0	0	112.5	T656 F663 L664	T656-C660 PolarHBondContact O-N 2.94Å; C660-F663 PolarHBondContact O-N 2.8Å; C660-L664 WeakPolarHBondContact O-CB 3.43Å; C660-L664 WeakPolarHBondContact O-CG 3.39Å; C660-L664 PolarHBondContact O-N 2.94Å
661	G	49	Very low	58	Low	27 Å²	27	100.3 Å²	100.3	28%	0.278	57%	0.573	S	S	.	*	H	α-helix	trans	-60.3	-46.5	175.3	0	0	0	0	0	111.9	L657 F658 L664 I665	L657-G661 PolarHBondContact O-N 3.37Å; F658-G661 PolarHBondContact O-N 3.06Å; G661-L664 PolarHBondContact O-N 2.84Å; G661-I665 VanDerWaalsContact O-CB 3.3Å; G661-I665 WeakPolarHBondContact O-CB 3.37Å; G661-I665 WeakPolarHBondContact O-CD1 3.39Å; G661-I665 WeakPolarHBondContact O-CG1 3.36Å; G661-I665 PolarHBondContact O-N 3.22Å
662	E	51.8	Low	57.5	Low	144 Å²	144	94.8 Å²	94.8	67%	0.673	56%	0.561	S	S	*	*	H	α-helix	trans	-66.1	-40	177.3	-70.5	-155.7	168.1	0	0	112.7	F658 L664 I665 V666	F658-E662 PolarHBondContact O-N 3.08Å; F658-E662 VanDerWaalsContact O-N 3.11Å; E662-L664 PolarHBondContact O-N 3.39Å; E662-I665 PolarHBondContact O-N 3.02Å; E662-V666 WeakPolarHBondContact O-CB 3.07Å; E662-V666 WeakPolarHBondContact O-CG2 3.49Å; E662-V666 PolarHBondContact O-N 3.37Å
663	F	51.8	Low	56.9	Low	153 Å²	153	96.7 Å²	96.7	67%	0.671	57%	0.566	S	S	*	*	H	α-helix	trans	-66.1	-38.8	177.8	-112.5	-86.1	0	0	0	113.2	A659 C660 L667	A659-F663 PolarHBondContact O-N 2.94Å; C660-F663 PolarHBondContact O-N 2.8Å; F663-L667 WeakPolarHBondContact O-CB 3.29Å; F663-L667 PolarHBondContact O-N 3.22Å
664	L	54.1	Low	56.9	Low	119 Å²	119	97.9 Å²	97.9	62%	0.623	56%	0.56	S	S	*	*	H	α-helix	trans	-72.7	-37	176.9	-72.3	171.8	0	0	0	112.1	C660 G661 E662 L667 S668	C660-L664 WeakPolarHBondContact O-CB 3.43Å; C660-L664 WeakPolarHBondContact O-CG 3.39Å; C660-L664 PolarHBondContact O-N 2.94Å; G661-L664 PolarHBondContact O-N 2.84Å; E662-L664 PolarHBondContact O-N 3.39Å; L664-L667 PolarHBondContact O-N 2.66Å; L664-S668 WeakPolarHBondContact O-CB 3.48Å; L664-S668 PolarHBondContact O-N 2.89Å; L664-S668 PolarHBondContact O-OG 2.75Å
665	I	62.9	Low	57.2	Low	98 Å²	98	96.3 Å²	96.3	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-65.4	-44.3	174.2	-68.7	165.2	0	0	0	109.8	G661 E662 S668 L669	G661-I665 VanDerWaalsContact O-CB 3.3Å; G661-I665 WeakPolarHBondContact O-CB 3.37Å; G661-I665 WeakPolarHBondContact O-CD1 3.39Å; G661-I665 WeakPolarHBondContact O-CG1 3.36Å; G661-I665 PolarHBondContact O-N 3.22Å; E662-I665 PolarHBondContact O-N 3.02Å; I665-S668 PolarHBondContact O-N 2.95Å; I665-S668 PolarHBondContact O-OG 2.94Å; I665-L669 HydrophobicContact CG2-CD1 3.75Å; I665-L669 WeakPolarHBondContact O-CB 3.42Å; I665-L669 WeakPolarHBondContact O-CG 3.46Å; I665-L669 PolarHBondContact O-N 3.16Å
666	V	64.4	Low	57.5	Low	80 Å²	80	95.5 Å²	95.5	49%	0.485	55%	0.549	S	S	.	.	H	α-helix	trans	-63.1	-43.3	176.1	173	0	0	0	0	111.5	E662 S668 L669 V670	E662-V666 WeakPolarHBondContact O-CB 3.07Å; E662-V666 WeakPolarHBondContact O-CG2 3.49Å; E662-V666 PolarHBondContact O-N 3.37Å; V666-S668 PolarHBondContact O-N 3.28Å; V666-L669 PolarHBondContact O-N 2.92Å; V666-V670 HydrophobicContact CG1-CG2 4.37Å; V666-V670 VanDerWaalsContact O-CG2 3.26Å; V666-V670 WeakPolarHBondContact O-CG2 3.26Å; V666-V670 PolarHBondContact O-N 3.34Å
667	L	61.8	Low	58	Low	100 Å²	100	94.8 Å²	94.8	52%	0.524	55%	0.545	S	S	.	.	H	α-helix	trans	-63.8	-38.9	175.2	-85.5	159.9	0	0	0	112.5	F663 L664 V670 S671	F663-L667 WeakPolarHBondContact O-CB 3.29Å; F663-L667 PolarHBondContact O-N 3.22Å; L664-L667 PolarHBondContact O-N 2.66Å; L667-V670 PolarHBondContact O-N 3.34Å; L667-S671 WeakPolarHBondContact O-CB 3.32Å; L667-S671 PolarHBondContact O-N 2.97Å; L667-S671 PolarHBondContact O-OG 3.39Å
668	S	64.4	Low	58.4	Low	55 Å²	55	92.4 Å²	92.4	39%	0.385	54%	0.543	S	S	.	.	H	α-helix	trans	-66.3	-39.3	175.3	76	0	0	0	0	112.2	L664 I665 V666 S671 L672	L664-S668 WeakPolarHBondContact O-CB 3.48Å; L664-S668 PolarHBondContact O-N 2.89Å; L664-S668 PolarHBondContact O-OG 2.75Å; I665-S668 PolarHBondContact O-N 2.95Å; I665-S668 PolarHBondContact O-OG 2.94Å; V666-S668 PolarHBondContact O-N 3.28Å; S668-S671 PolarHBondContact O-N 2.96Å; S668-L672 WeakPolarHBondContact O-CB 3.4Å; S668-L672 PolarHBondContact O-N 3.29Å
669	L	66.8	Low	58.5	Low	93 Å²	93	89.7 Å²	89.7	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-67.4	-41.4	176.7	-80.3	161.8	0	0	0	111.6	I665 V666 S671 L672 L673	I665-L669 HydrophobicContact CG2-CD1 3.75Å; I665-L669 WeakPolarHBondContact O-CB 3.42Å; I665-L669 WeakPolarHBondContact O-CG 3.46Å; I665-L669 PolarHBondContact O-N 3.16Å; V666-L669 PolarHBondContact O-N 2.92Å; L669-S671 VanDerWaalsContact C-N 3.34Å; L669-L672 PolarHBondContact O-N 3.29Å; L669-L673 WeakPolarHBondContact O-CB 3.38Å; L669-L673 PolarHBondContact O-N 3.29Å
670	V	69	Low	58.6	Low	77 Å²	77	93.5 Å²	93.5	47%	0.467	56%	0.555	S	S	.	*	H	α-helix	trans	-65.6	-39.6	175.4	173.9	0	0	0	0	110.6	V666 L667 L673 V674	V666-V670 HydrophobicContact CG1-CG2 4.37Å; V666-V670 VanDerWaalsContact O-CG2 3.26Å; V666-V670 WeakPolarHBondContact O-CG2 3.26Å; V666-V670 PolarHBondContact O-N 3.34Å; L667-V670 PolarHBondContact O-N 3.34Å; V670-L673 PolarHBondContact O-N 3.49Å; V670-V674 HydrophobicContact CG1-CG2 4.32Å; V670-V674 VanDerWaalsContact O-CG2 3.29Å; V670-V674 WeakPolarHBondContact O-CG2 3.42Å; V670-V674 PolarHBondContact O-N 3.22Å
671	S	64.9	Low	58.5	Low	80 Å²	80	102.5 Å²	102.5	56%	0.559	59%	0.586	S	S	*	*	H	α-helix	trans	-65	-40.4	176.8	-54.6	0	0	0	0	112.2	L667 S668 L669 G675	L667-S671 WeakPolarHBondContact O-CB 3.32Å; L667-S671 PolarHBondContact O-N 2.97Å; L667-S671 PolarHBondContact O-OG 3.39Å; S668-S671 PolarHBondContact O-N 2.96Å; L669-S671 VanDerWaalsContact C-N 3.34Å; S671-G675 PolarHBondContact O-N 2.99Å
672	L	65.2	Low	59	Low	126 Å²	126	106.3 Å²	106.3	66%	0.66	60%	0.602	S	S	*	*	H	α-helix	trans	-65.2	-39.7	173.5	-88.7	154.6	0	0	0	112.4	S668 L669 A676	S668-L672 WeakPolarHBondContact O-CB 3.4Å; S668-L672 PolarHBondContact O-N 3.29Å; L669-L672 PolarHBondContact O-N 3.29Å; L672-A676 WeakPolarHBondContact O-CB 3.36Å; L672-A676 PolarHBondContact O-N 3Å
673	L	63.7	Low	59.4	Low	115 Å²	115	104.3 Å²	104.3	60%	0.602	60%	0.598	S	S	*	*	H	α-helix	trans	-66.9	-43.9	176.2	-91.7	150.5	0	0	0	112.3	L669 V670 A676 T677	L669-L673 WeakPolarHBondContact O-CB 3.38Å; L669-L673 PolarHBondContact O-N 3.29Å; V670-L673 PolarHBondContact O-N 3.49Å; L673-A676 PolarHBondContact O-N 3.42Å; L673-T677 PolarHBondContact O-N 2.64Å; L673-T677 VanDerWaalsContact O-N 3.16Å; L673-T677 PolarHBondContact O-OG1 3.04Å
674	V	65.4	Low	59.8	Low	91 Å²	91	101.6 Å²	101.6	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-67	-39.8	177.3	176	0	0	0	0	110.9	V670 A676 T677 A678	V670-V674 HydrophobicContact CG1-CG2 4.32Å; V670-V674 VanDerWaalsContact O-CG2 3.29Å; V670-V674 WeakPolarHBondContact O-CG2 3.42Å; V670-V674 PolarHBondContact O-N 3.22Å; V674-A676 PolarHBondContact O-N 3.49Å; V674-T677 PolarHBondContact O-N 2.81Å; V674-T677 PolarHBondContact O-OG1 3.43Å; V674-A678 PolarHBondContact O-N 2.75Å
675	G	59.5	Low	60.1	Low	43 Å²	43	100.6 Å²	100.6	44%	0.443	59%	0.592	S	S	.	*	H	α-helix	trans	-62.6	-38.6	174.2	0	0	0	0	0	113.3	S671 A678	S671-G675 PolarHBondContact O-N 2.99Å; G675-A678 PolarHBondContact O-N 2.87Å
676	A	58.9	Low	59.9	Low	66 Å²	66	100.8 Å²	100.8	55%	0.545	60%	0.598	S	S	.	*	H	α-helix	trans	-69.6	-31.4	177.7	0	0	0	0	0	113	L672 L673 V674	L672-A676 WeakPolarHBondContact O-CB 3.36Å; L672-A676 PolarHBondContact O-N 3Å; L673-A676 PolarHBondContact O-N 3.42Å; V674-A676 PolarHBondContact O-N 3.49Å
677	T	59.2	Low	59.6	Low	98 Å²	98	102.1 Å²	102.1	60%	0.601	61%	0.605	S	S	*	*	H	α-helix	trans	-78.8	-22	176.6	51.2	0	0	0	0	113.9	L673 V674	L673-T677 PolarHBondContact O-N 2.64Å; L673-T677 VanDerWaalsContact O-N 3.16Å; L673-T677 PolarHBondContact O-OG1 3.04Å; V674-T677 PolarHBondContact O-N 2.81Å; V674-T677 PolarHBondContact O-OG1 3.43Å
678	A	53.9	Low	59.5	Low	73 Å²	73	102.3 Å²	102.3	60%	0.603	61%	0.611	S	S	*	*	H	α-helix	trans	-80.8	-15.1	178.7	0	0	0	0	0	113.8	V674 G675	V674-A678 PolarHBondContact O-N 2.75Å; G675-A678 PolarHBondContact O-N 2.87Å
679	C	50.4	Low	59.1	Low	109 Å²	109	105.9 Å²	105.9	74%	0.736	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	6.1	176.4	-91.8	0	0	0	0	114.5
680	N	48.5	Very low	58.5	Low	142 Å²	142	107 Å²	107	76%	0.759	64%	0.641	S	S	*	*			trans	-122.8	60.5	170.6	-86.2	-36	0	0	0	110.4
681	F	43.2	Very low	57.5	Low	264 Å²	264	109.7 Å²	109.7	100%	1.158	66%	0.656	S	S	*	*			trans	-148	0	153.1	-98.6	-80.6	0	0	0	106.7

Retrieved 681 of 681 residues in 4189.1 ms (Link to these results)

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