A0A061I9Z0_CRIGR Loading...

Zinc finger protein 394

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A061I9Z0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Znf394, Length 510 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	32.1	Very low	29.5	Very low	245 Å²	245	125.5 Å²	125.5	100%	1.207	87%	0.872	S	S	*	*				0	149.7	0	-67.4	-176.4	-87.1	0	0	108.1
2	A	29.4	Very low	29.2	Very low	91 Å²	91	125.7 Å²	125.7	75%	0.752	87%	0.871	S	S	*	*			trans	-73	174.4	163	0	0	0	0	0	109.2
3	V	26.7	Very low	29	Very low	141 Å²	141	125.2 Å²	125.2	86%	0.855	86%	0.861	S	S	*	*				-168.9	143.2	55.2	166.5	0	0	0	0	106.2
4	A	27	Very low	29	Very low	98 Å²	98	125.8 Å²	125.8	81%	0.81	86%	0.857	S	S	*	*			cis	-141.9	-146.7	-0.5	0	0	0	0	0	110
5	A	29.5	Very low	28.7	Very low	96 Å²	96	127.9 Å²	127.9	79%	0.793	85%	0.846	S	S	*	*			trans	-141.3	158.1	171.8	0	0	0	0	0	111.5
6	V	29.6	Very low	29	Very low	152 Å²	152	128.1 Å²	128.1	92%	0.921	84%	0.842	S	S	*	*			trans	-138.3	140.7	159.7	-179.1	0	0	0	0	107.8
7	A	31.1	Very low	28.8	Very low	103 Å²	103	128.9 Å²	128.9	85%	0.851	83%	0.832	S	S	*	*			trans	-99.4	160.4	-175.6	0	0	0	0	0	112.8
8	G	27.4	Very low	28.8	Very low	77 Å²	77	131.8 Å²	131.8	79%	0.794	83%	0.833	S	S	*	*			trans	-170.2	71	178.3	0	0	0	0	0	112.8
9	A	32.2	Very low	28.5	Very low	115 Å²	115	135.4 Å²	135.4	95%	0.95	83%	0.83	S	S	*	*			trans	-81.2	122.9	172.1	0	0	0	0	0	110.1
10	A	30.2	Very low	28.4	Very low	95 Å²	95	133.4 Å²	133.4	79%	0.785	82%	0.822	S	S	*	*			trans	-123.9	128.4	174.3	0	0	0	0	0	110	C12	A10-C12 PolarHBondContact O-N 2.89Å
11	L	29.1	Very low	28.7	Very low	167 Å²	167	133.3 Å²	133.3	87%	0.874	82%	0.824	S	S	*	*			trans	-79.2	114.9	178.1	-72.3	141.5	0	0	0	109.9	T13	L11-T13 VanDerWaalsContact C-N 3.33Å; L11-T13 PolarHBondContact O-N 3.27Å
12	C	26	Very low	28.4	Very low	128 Å²	128	124 Å²	124	87%	0.865	79%	0.79	S	S	*	*			trans	-75.5	87.6	164.5	-73.7	0	0	0	0	109.7	A10 V14	A10-C12 PolarHBondContact O-N 2.89Å; C12-V14 PolarHBondContact O-N 3.23Å
13	T	27.4	Very low	28.3	Very low	119 Å²	119	125.4 Å²	125.4	73%	0.73	79%	0.794	S	S	*	*			trans	-65.9	113.3	168.1	43.6	0	0	0	0	109.6	L11 K15	L11-T13 VanDerWaalsContact C-N 3.33Å; L11-T13 PolarHBondContact O-N 3.27Å; T13-K15 PolarHBondContact O-N 3.45Å
14	V	27.9	Very low	28.8	Very low	134 Å²	134	127.9 Å²	127.9	81%	0.812	80%	0.797	S	S	*	*			trans	-71.2	98	172.2	-179.8	0	0	0	0	108.2	C12 V16	C12-V14 PolarHBondContact O-N 3.23Å; V14-V16 PolarHBondContact O-N 3.34Å
15	K	24.7	Very low	28.9	Very low	157 Å²	157	133.1 Å²	133.1	68%	0.683	80%	0.801	S	S	*	*			trans	-63.6	123.8	163	-88.6	-177.9	153.1	-159.8	0	109	T13 E17	T13-K15 PolarHBondContact O-N 3.45Å; K15-E17 HydrophobicContact CB-CG 4.4Å; K15-E17 HydrophobicContact CD-CG 4.41Å; K15-E17 WeakPolarHBondContact CD-OE1 3.21Å; K15-E17 WeakPolarHBondContact CE-OE1 3.25Å; K15-E17 IonicContact NZ-OE1 3.05Å; K15-E17 PolarHBondContact NZ-OE1 3.03Å
16	V	33.8	Very low	29.1	Very low	131 Å²	131	133.8 Å²	133.8	79%	0.794	80%	0.8	S	S	*	*			trans	-84.7	110.3	156.1	179.5	0	0	0	0	106.3	V14	V14-V16 PolarHBondContact O-N 3.34Å
17	E	26.1	Very low	28.9	Very low	143 Å²	143	133.3 Å²	133.3	67%	0.668	80%	0.802	S	S	*	*			trans	-106.2	116.3	168.7	-76.6	-176.6	174.2	0	0	108.8	K15 Y19	K15-E17 HydrophobicContact CB-CG 4.4Å; K15-E17 HydrophobicContact CD-CG 4.41Å; K15-E17 WeakPolarHBondContact CD-OE1 3.21Å; K15-E17 WeakPolarHBondContact CE-OE1 3.25Å; K15-E17 IonicContact NZ-OE1 3.05Å; K15-E17 PolarHBondContact NZ-OE1 3.03Å; E17-Y19 PolarHBondContact O-N 3.03Å
18	E	27.7	Very low	28.7	Very low	181 Å²	181	131.6 Å²	131.6	85%	0.846	80%	0.795	S	S	*	*			trans	-75.4	106	-179.2	-62.8	-178.4	131.8	0	0	110.2	S20	E18-S20 PolarHBondContact O-N 2.92Å; E18-S20 VanDerWaalsContact O-N 3.14Å
19	Y	23	Very low	29	Very low	200 Å²	200	134 Å²	134	78%	0.784	80%	0.799	S	S	*	*			trans	-81.7	94.8	177.2	-168.1	-97.2	0	0	0	111.7	E17	E17-Y19 PolarHBondContact O-N 3.03Å
20	S	27.3	Very low	29.3	Very low	95 Å²	95	132 Å²	132	66%	0.664	79%	0.789	S	S	*	*			trans	-71.5	143.4	166.9	-72	0	0	0	0	111.5	E18 G22	E18-S20 PolarHBondContact O-N 2.92Å; E18-S20 VanDerWaalsContact O-N 3.14Å; S20-G22 PolarHBondContact O-N 3.09Å
21	P	35.2	Very low	29.6	Very low	132 Å²	132	132.5 Å²	132.5	86%	0.857	78%	0.779	S	S	*	*			trans	-72.3	117.1	-172	28.1	-34.7	0	0	0	112.5
22	G	25.8	Very low	30.1	Very low	49 Å²	49	133.7 Å²	133.7	51%	0.505	77%	0.772	S	S	.	*			trans	-125.9	128.8	-176	0	0	0	0	0	114.9	S20	S20-G22 PolarHBondContact O-N 3.09Å
23	S	26.6	Very low	31.4	Very low	120 Å²	120	135.5 Å²	135.5	84%	0.839	77%	0.768	S	S	*	*			trans	55.5	112.6	162.8	-64.6	0	0	0	0	119.8
24	Q	38.1	Very low	33.5	Very low	193 Å²	193	133.2 Å²	133.2	90%	0.902	75%	0.751	S	S	*	*			trans	-55.2	139.7	153.6	-61.7	157.1	-82.6	0	0	110.9
25	K	29.3	Very low	35.9	Very low	208 Å²	208	128.3 Å²	128.3	90%	0.904	72%	0.722	S	S	*	*			trans	-126.4	107.9	153.2	-82.8	-171.4	175.7	179.2	0	109.7
26	S	32.1	Very low	38.5	Very low	110 Å²	110	122.3 Å²	122.3	77%	0.769	70%	0.697	S	S	*	*			trans	-85.2	125.3	173	50.8	0	0	0	0	111
27	C	26.8	Very low	40.8	Very low	142 Å²	142	118 Å²	118	96%	0.959	67%	0.671	S	S	*	*			trans	-166.8	127.8	142.7	-104	0	0	0	0	108.5
28	G	25.5	Very low	43.7	Very low	68 Å²	68	111.9 Å²	111.9	70%	0.701	64%	0.643	S	S	*	*			trans	145	43	-167.4	0	0	0	0	0	112.1
29	S	35.3	Very low	46.5	Very low	126 Å²	126	103.4 Å²	103.4	88%	0.881	60%	0.604	S	S	*	*			trans	-87.9	122.4	-169.9	49.3	0	0	0	0	112.4
30	G	36.7	Very low	49.4	Very low	73 Å²	73	97.7 Å²	97.7	75%	0.753	58%	0.583	S	S	*	*	S	Bend	trans	120.1	61.7	155.5	0	0	0	0	0	118.3
31	D	36.7	Very low	52.2	Low	106 Å²	106	96.4 Å²	96.4	57%	0.567	57%	0.566	S	S	*	*			trans	-159.9	5.3	145.1	-142.5	2.8	0	0	0	116.1	Q33	D31-Q33 PolarHBondContact O-N 3.49Å
32	W	40.2	Very low	54.7	Low	192 Å²	192	93 Å²	93	73%	0.727	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	25.4	-169.3	-71.4	107.7	0	0	0	116.5
33	Q	53.9	Low	57.5	Low	166 Å²	166	94.3 Å²	94.3	78%	0.776	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	-0	-179.1	-67.7	-166.6	1.5	0	0	115.8	D31 P35 R69	D31-Q33 PolarHBondContact O-N 3.49Å; Q33-P35 WeakPolarHBondContact O-CD 3.11Å; Q33-R69 PolarHBondContact O-NH2 3.32Å
34	N	71.3	Confident	60.2	Low	72 Å²	72	95 Å²	95	39%	0.385	52%	0.518	S	S	.	.			trans	-84.2	120.3	177.3	-169.9	-13.5	0	0	0	112.1	E36 T37	N34-E36 PolarHBondContact O-N 2.73Å; N34-E36 VanDerWaalsContact OD1-CB 3.29Å; N34-E36 WeakPolarHBondContact OD1-CB 3.47Å; N34-E36 PolarHBondContact OD1-N 3.2Å; N34-T37 PolarHBondContact O-N 3.31Å
35	P	78.1	Confident	62.5	Low	31 Å²	31	88 Å²	88	20%	0.201	49%	0.487	C	S	.	.	H	α-helix	trans	-59.8	-33.2	174.1	-19.8	31.2	0	0	0	113.3	Q33 T37 S38 R39	Q33-P35 WeakPolarHBondContact O-CD 3.11Å; P35-T37 VanDerWaalsContact C-N 3.33Å; P35-T37 PolarHBondContact O-N 2.98Å; P35-S38 WeakPolarHBondContact O-CB 3.39Å; P35-S38 PolarHBondContact O-N 3.44Å; P35-R39 PolarHBondContact O-N 3.31Å
36	E	80.1	Confident	65.2	Low	31 Å²	31	85.4 Å²	85.4	15%	0.145	47%	0.471	C	S	.	.	H	α-helix	trans	-68.8	-32.4	-177.6	-169	59	-154.6	0	0	111.8	N34 S38 R39 K40 C103	N34-E36 PolarHBondContact O-N 2.73Å; N34-E36 VanDerWaalsContact OD1-CB 3.29Å; N34-E36 WeakPolarHBondContact OD1-CB 3.47Å; N34-E36 PolarHBondContact OD1-N 3.2Å; E36-S38 VanDerWaalsContact C-N 3.35Å; E36-R39 VanDerWaalsContact CD-CD 3.5Å; E36-R39 WeakPolarHBondContact O-CB 3.34Å; E36-R39 PolarHBondContact O-N 3.41Å; E36-R39 WeakPolarHBondContact OE1-CD 3.35Å; E36-R39 IonicContact OE1-CZ 2.64Å; E36-R39 IonicContact OE1-NH1 3.17Å; E36-R39 PolarHBondContact OE1-NH1 2.89Å; E36-R39 WeakPolarHBondContact OE2-CD 3.3Å; E36-R39 IonicContact OE2-CZ 3.48Å; E36-R39 IonicContact OE2-NE 2.95Å; E36-R39 IonicContact OE2-NH1 2.72Å; E36-R39 PolarHBondContact OE2-NH1 3.07Å; E36-K40 WeakPolarHBondContact O-CB 3.49Å; E36-K40 WeakPolarHBondContact O-CG 3.04Å; E36-K40 PolarHBondContact O-N 3.35Å; E36-C103 HydrophobicContact CG-CB 4.49Å
37	T	82.1	Confident	67.6	Low	41 Å²	41	87.3 Å²	87.3	25%	0.252	46%	0.462	S	S	.	.	H	α-helix	trans	-64.9	-40.6	172.1	-53.9	0	0	0	0	110.9	N34 P35 K40 Q41	N34-T37 PolarHBondContact O-N 3.31Å; P35-T37 VanDerWaalsContact C-N 3.33Å; P35-T37 PolarHBondContact O-N 2.98Å; T37-K40 PolarHBondContact O-N 3.43Å; T37-Q41 WeakPolarHBondContact O-CB 3.32Å; T37-Q41 VanDerWaalsContact O-CG 3.3Å; T37-Q41 WeakPolarHBondContact O-CG 3.29Å; T37-Q41 PolarHBondContact O-N 3.17Å
38	S	85.4	Confident	70.2	Confident	13 Å²	13	88.6 Å²	88.6	9%	0.091	45%	0.454	C	S	.	.	H	α-helix	trans	-67.8	-36.2	175.4	-59	0	0	0	0	112.1	P35 E36 F42 R66	P35-S38 WeakPolarHBondContact O-CB 3.39Å; P35-S38 PolarHBondContact O-N 3.44Å; E36-S38 VanDerWaalsContact C-N 3.35Å; S38-F42 WeakPolarHBondContact O-CB 3.45Å; S38-F42 PolarHBondContact O-N 2.94Å; S38-R66 WeakPolarHBondContact OG-CB 3.49Å
39	R	87.3	Confident	72.6	Confident	4 Å²	4	91 Å²	91	2%	0.015	45%	0.447	C	S	.	.	H	α-helix	trans	-63.8	-46.4	174.2	-170.2	-171.1	-174.2	-171.2	-6.1	112.2	P35 E36 F42 R43 W67 L84 E85 P104	P35-R39 PolarHBondContact O-N 3.31Å; E36-R39 VanDerWaalsContact CD-CD 3.5Å; E36-R39 WeakPolarHBondContact O-CB 3.34Å; E36-R39 PolarHBondContact O-N 3.41Å; E36-R39 WeakPolarHBondContact OE1-CD 3.35Å; E36-R39 IonicContact OE1-CZ 2.64Å; E36-R39 IonicContact OE1-NH1 3.17Å; E36-R39 PolarHBondContact OE1-NH1 2.89Å; E36-R39 WeakPolarHBondContact OE2-CD 3.3Å; E36-R39 IonicContact OE2-CZ 3.48Å; E36-R39 IonicContact OE2-NE 2.95Å; E36-R39 IonicContact OE2-NH1 2.72Å; E36-R39 PolarHBondContact OE2-NH1 3.07Å; R39-F42 WeakPolarHBondContact O-CB 3.45Å; R39-F42 PolarHBondContact O-N 3.12Å; R39-R43 VanDerWaalsContact NE-NH2 3.19Å; R39-R43 WeakPolarHBondContact O-CG 3.45Å; R39-R43 PolarHBondContact O-N 2.63Å; R39-R43 VanDerWaalsContact O-N 3.1Å; R39-W67 HydrophobicContact CB-CB 4.33Å; R39-W67 HydrophobicContact CB-CD2 4.15Å; R39-W67 HydrophobicContact CB-CG 3.75Å; R39-W67 HydrophobicContact CG-CD2 3.99Å; R39-W67 HydrophobicContact CG-CG 4.08Å; R39-W67 HydrophobicContact CG-CZ2 4.31Å; R39-L84 VanDerWaalsContact NH2-CG 3.31Å; R39-E85 IonicContact CZ-OE1 3.25Å; R39-E85 IonicContact NE-OE1 3.25Å; R39-E85 PolarHBondContact NE-OE1 3.1Å; R39-E85 IonicContact NH2-OE1 2.7Å; R39-E85 PolarHBondContact NH2-OE1 3.02Å; R39-P104 PolarHBondContact NH1-O 2.81Å; R39-P104 PolarHBondContact NH2-O 3.18Å
40	K	83.9	Confident	74.9	Confident	79 Å²	79	86.2 Å²	86.2	34%	0.343	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-44.6	176.5	-72.6	176.1	179.7	-176.5	0	111.3	E36 T37 F42 R43 Q44 C103	E36-K40 WeakPolarHBondContact O-CB 3.49Å; E36-K40 WeakPolarHBondContact O-CG 3.04Å; E36-K40 PolarHBondContact O-N 3.35Å; T37-K40 PolarHBondContact O-N 3.43Å; K40-F42 VanDerWaalsContact C-N 3.35Å; K40-F42 PolarHBondContact O-N 3.21Å; K40-R43 PolarHBondContact O-N 3.48Å; K40-Q44 WeakPolarHBondContact O-CB 3.32Å; K40-Q44 VanDerWaalsContact O-CG 3.28Å; K40-Q44 WeakPolarHBondContact O-CG 3.46Å; K40-Q44 PolarHBondContact O-N 3.44Å; K40-Q44 VanDerWaalsContact O-N 3.12Å; K40-C103 VanDerWaalsContact CE-SG 3.58Å; K40-C103 PolarHBondContact NZ-SG 2.95Å
41	Q	85.9	Confident	77.1	Confident	68 Å²	68	87.7 Å²	87.7	32%	0.318	42%	0.418	S	S	.	.	H	α-helix	trans	-60.5	-40.5	172.9	-73.6	173	-4.6	0	0	112.5	T37 R43 Q44 L45 L63	T37-Q41 WeakPolarHBondContact O-CB 3.32Å; T37-Q41 VanDerWaalsContact O-CG 3.3Å; T37-Q41 WeakPolarHBondContact O-CG 3.29Å; T37-Q41 PolarHBondContact O-N 3.17Å; Q41-R43 VanDerWaalsContact C-N 3.35Å; Q41-R43 PolarHBondContact O-N 3.09Å; Q41-Q44 PolarHBondContact O-N 3.41Å; Q41-Q44 VanDerWaalsContact O-N 3.15Å; Q41-L45 PolarHBondContact O-N 2.83Å; Q41-L63 HydrophobicContact CB-CD1 4.14Å; Q41-L63 HydrophobicContact CB-CD2 3.76Å
42	F	88.3	Confident	79.5	Confident	62 Å²	62	83.5 Å²	83.5	27%	0.272	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-39.8	176.2	-178.7	-99.8	0	0	0	112.8	S38 R39 K40 Q44 L60 L63 C64 W67	S38-F42 WeakPolarHBondContact O-CB 3.45Å; S38-F42 PolarHBondContact O-N 2.94Å; R39-F42 WeakPolarHBondContact O-CB 3.45Å; R39-F42 PolarHBondContact O-N 3.12Å; K40-F42 VanDerWaalsContact C-N 3.35Å; K40-F42 PolarHBondContact O-N 3.21Å; F42-Q44 VanDerWaalsContact C-N 3.33Å; F42-L60 HydrophobicContact CD2-CD2 3.8Å; F42-L60 HydrophobicContact CE2-CB 4.16Å; F42-L60 HydrophobicContact CE2-CD2 3.57Å; F42-L60 HydrophobicContact CE2-CG 4.46Å; F42-L60 HydrophobicContact CZ-CD2 4.37Å; F42-L63 HydrophobicContact CB-CB 4.1Å; F42-L63 HydrophobicContact CD2-CB 4.15Å; F42-C64 HydrophobicContact CE2-CB 4.4Å; F42-C64 WeakPolarHBondContact CE2-SG 3.49Å; F42-C64 VanDerWaalsContact CZ-SG 3.56Å; F42-W67 HydrophobicContact CD1-CZ3 4.47Å
43	R	83.1	Confident	81.7	Confident	75 Å²	75	78.4 Å²	78.4	28%	0.283	39%	0.391	S	S	.	.	H	α-helix	trans	-68.8	-28.9	174.2	-66.7	175.5	-175.6	154.5	4.5	113.7	R39 K40 Q41 E85 L88	R39-R43 VanDerWaalsContact NE-NH2 3.19Å; R39-R43 WeakPolarHBondContact O-CG 3.45Å; R39-R43 PolarHBondContact O-N 2.63Å; R39-R43 VanDerWaalsContact O-N 3.1Å; K40-R43 PolarHBondContact O-N 3.48Å; Q41-R43 VanDerWaalsContact C-N 3.35Å; Q41-R43 PolarHBondContact O-N 3.09Å; R43-E85 IonicContact CZ-OE1 3.65Å; R43-E85 IonicContact CZ-OE2 3.71Å; R43-E85 VanDerWaalsContact CZ-OE2 3.25Å; R43-E85 IonicContact NE-OE1 3.72Å; R43-E85 IonicContact NE-OE2 2.88Å; R43-E85 PolarHBondContact NE-OE2 3Å; R43-E85 VanDerWaalsContact NH2-CD 3.26Å; R43-E85 IonicContact NH2-OE1 2.67Å; R43-E85 PolarHBondContact NH2-OE1 2.81Å; R43-E85 IonicContact NH2-OE2 2.73Å; R43-E85 PolarHBondContact NH2-OE2 3.39Å; R43-L88 VanDerWaalsContact NH2-CD1 3.31Å
44	Q	84.6	Confident	83.3	Confident	135 Å²	135	78.2 Å²	78.2	63%	0.631	39%	0.391	S	S	*	.	H	α-helix	trans	-99.9	-19	-167.2	-73	174.8	-17.6	0	0	114.2	K40 Q41 F42 R46	K40-Q44 WeakPolarHBondContact O-CB 3.32Å; K40-Q44 VanDerWaalsContact O-CG 3.28Å; K40-Q44 WeakPolarHBondContact O-CG 3.46Å; K40-Q44 PolarHBondContact O-N 3.44Å; K40-Q44 VanDerWaalsContact O-N 3.12Å; Q41-Q44 PolarHBondContact O-N 3.41Å; Q41-Q44 VanDerWaalsContact O-N 3.15Å; F42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-R46 WeakPolarHBondContact O-CG 3.42Å; Q44-R46 PolarHBondContact O-N 2.84Å
45	L	85.4	Confident	84	Confident	47 Å²	47	79.7 Å²	79.7	25%	0.246	40%	0.395	C	S	.	.			trans	-54.4	116.6	-177.7	-173.8	77.1	0	0	0	111.8	Q41 R59 L60	Q41-L45 PolarHBondContact O-N 2.83Å; L45-R59 HydrophobicContact CD1-CG 4.02Å; L45-R59 HydrophobicContact CD2-CB 4.29Å; L45-R59 HydrophobicContact CD2-CG 4.15Å; L45-L60 HydrophobicContact CD2-CD2 3.66Å; L45-L60 HydrophobicContact CD2-CG 3.69Å
46	R	86.3	Confident	84.5	Confident	153 Å²	153	78.6 Å²	78.6	58%	0.577	39%	0.389	S	S	*	.			trans	-95.2	141.6	176.7	-51.4	-175.8	176.7	174.8	-2.1	110.3	Q44 Q48 E49	Q44-R46 WeakPolarHBondContact O-CG 3.42Å; Q44-R46 PolarHBondContact O-N 2.84Å; R46-Q48 PolarHBondContact O-N 2.59Å; R46-Q48 VanDerWaalsContact O-N 3.07Å; R46-E49 HydrophobicContact CB-CG 4.01Å; R46-E49 WeakPolarHBondContact CD-OE1 3.41Å; R46-E49 WeakPolarHBondContact CG-OE1 3.4Å; R46-E49 PolarHBondContact N-OE2 3.16Å; R46-E49 WeakPolarHBondContact O-CB 3.43Å; R46-E49 PolarHBondContact O-N 2.94Å
47	Y	82.1	Confident	84.9	Confident	149 Å²	149	82.9 Å²	82.9	58%	0.584	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-60.6	-19.9	174.2	-170.7	-94.1	0	0	0	113.1	E49 P53 A56	Y47-E49 PolarHBondContact O-N 3.07Å; Y47-P53 HydrophobicContact CE2-CB 4.3Å; Y47-P53 WeakPolarHBondContact OH-CD 3.19Å; Y47-A56 HydrophobicContact CD2-CB 4.07Å; Y47-A56 HydrophobicContact CE2-CB 4.11Å
48	Q	82.1	Confident	85.1	Confident	169 Å²	169	84.6 Å²	84.6	79%	0.79	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-74.6	-10.3	176.2	-66.3	154.4	-26	0	0	113.5	R46	R46-Q48 PolarHBondContact O-N 2.59Å; R46-Q48 VanDerWaalsContact O-N 3.07Å
49	E	76	Confident	85.3	Confident	118 Å²	118	88.5 Å²	88.5	55%	0.551	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-105.3	9.6	-172.6	-63.5	161	174.9	0	0	112.8	R46 Y47	R46-E49 HydrophobicContact CB-CG 4.01Å; R46-E49 WeakPolarHBondContact CD-OE1 3.41Å; R46-E49 WeakPolarHBondContact CG-OE1 3.4Å; R46-E49 PolarHBondContact N-OE2 3.16Å; R46-E49 WeakPolarHBondContact O-CB 3.43Å; R46-E49 PolarHBondContact O-N 2.94Å; Y47-E49 PolarHBondContact O-N 3.07Å
50	V	84.2	Confident	85.4	Confident	27 Å²	27	91.3 Å²	91.3	16%	0.164	45%	0.453	C	S	.	.	S	Bend	trans	-138.2	144.5	-176	-85.9	0	0	0	0	110.5	G52 E55 A56	V50-G52 VanDerWaalsContact C-N 3.25Å; V50-G52 PolarHBondContact O-N 3.39Å; V50-E55 HydrophobicContact CB-CG 4.39Å; V50-E55 HydrophobicContact CG1-CG 4.05Å; V50-A56 HydrophobicContact CB-CB 4.49Å; V50-A56 HydrophobicContact CG2-CB 3.72Å
51	A	81.4	Confident	85.7	Confident	103 Å²	103	95.7 Å²	95.7	85%	0.851	47%	0.468	S	S	*	.	S	Bend	trans	-75	-8.7	-169.9	0	0	0	0	0	114.4	E55	A51-E55 WeakPolarHBondContact CB-OE2 3.31Å; A51-E55 PolarHBondContact N-OE2 3.43Å
52	G	87.3	Confident	85.9	Confident	18 Å²	18	95.4 Å²	95.4	19%	0.186	47%	0.466	C	S	.	.	S	Bend	trans	179.9	175.4	175.9	0	0	0	0	0	114.5	V50 E54 E55 A56	V50-G52 VanDerWaalsContact C-N 3.25Å; V50-G52 PolarHBondContact O-N 3.39Å; G52-E54 VanDerWaalsContact C-N 3.32Å; G52-E54 PolarHBondContact O-N 2.84Å; G52-E55 PolarHBondContact O-N 3.41Å; G52-A56 WeakPolarHBondContact O-CB 3.41Å; G52-A56 PolarHBondContact O-N 3.25Å
53	P	86.3	Confident	86	Confident	86 Å²	86	92.5 Å²	92.5	56%	0.558	45%	0.454	S	S	*	.	H	α-helix	trans	-67.6	-29.2	-174.8	27.1	-34.3	0	0	0	113.5	Y47 L57	Y47-P53 HydrophobicContact CE2-CB 4.3Å; Y47-P53 WeakPolarHBondContact OH-CD 3.19Å; P53-L57 WeakPolarHBondContact O-CB 3.28Å; P53-L57 PolarHBondContact O-N 3.18Å
54	E	87.3	Confident	86.3	Confident	162 Å²	162	90.5 Å²	90.5	76%	0.757	45%	0.451	S	S	*	.	H	α-helix	trans	-72.5	-39.3	177.7	-59.2	-170.7	155.5	0	0	111.8	G52 S58	G52-E54 VanDerWaalsContact C-N 3.32Å; G52-E54 PolarHBondContact O-N 2.84Å; E54-S58 VanDerWaalsContact O-CB 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.34Å; E54-S58 PolarHBondContact O-N 3.47Å; E54-S58 PolarHBondContact O-OG 3.42Å
55	E	87.6	Confident	86.5	Confident	103 Å²	103	89.8 Å²	89.8	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-68	-44.5	172.7	-172.8	179.5	-145.5	0	0	110.9	V50 A51 G52 L57 S58 R59	V50-E55 HydrophobicContact CB-CG 4.39Å; V50-E55 HydrophobicContact CG1-CG 4.05Å; A51-E55 WeakPolarHBondContact CB-OE2 3.31Å; A51-E55 PolarHBondContact N-OE2 3.43Å; G52-E55 PolarHBondContact O-N 3.41Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 3.1Å; E55-S58 PolarHBondContact O-N 3.22Å; E55-R59 WeakPolarHBondContact O-CB 3.42Å; E55-R59 PolarHBondContact O-N 3.09Å
56	A	88.7	Confident	86.6	Confident	8 Å²	8	91.8 Å²	91.8	7%	0.066	45%	0.446	C	S	.	.	H	α-helix	trans	-54	-49.1	174.8	0	0	0	0	0	111.7	Y47 V50 G52 R59 L60	Y47-A56 HydrophobicContact CD2-CB 4.07Å; Y47-A56 HydrophobicContact CE2-CB 4.11Å; V50-A56 HydrophobicContact CB-CB 4.49Å; V50-A56 HydrophobicContact CG2-CB 3.72Å; G52-A56 WeakPolarHBondContact O-CB 3.41Å; G52-A56 PolarHBondContact O-N 3.25Å; A56-R59 PolarHBondContact O-N 3.3Å; A56-L60 WeakPolarHBondContact O-CB 3.47Å; A56-L60 VanDerWaalsContact O-CG 3.28Å; A56-L60 WeakPolarHBondContact O-CG 3.45Å; A56-L60 PolarHBondContact O-N 2.79Å
57	L	87.4	Confident	86.8	Confident	120 Å²	120	84.7 Å²	84.7	63%	0.628	42%	0.42	S	S	*	.	H	α-helix	trans	-64	-43	177.6	-179.1	61.3	0	0	0	112.2	P53 E55 L60 W61	P53-L57 WeakPolarHBondContact O-CB 3.28Å; P53-L57 PolarHBondContact O-N 3.18Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 3.1Å; L57-L60 PolarHBondContact O-N 2.98Å; L57-W61 WeakPolarHBondContact O-CB 3.5Å; L57-W61 PolarHBondContact O-N 3.34Å
58	S	87.4	Confident	87.1	Confident	77 Å²	77	78.5 Å²	78.5	54%	0.538	40%	0.396	S	S	.	.	H	α-helix	trans	-63.2	-42.2	178.7	-60.2	0	0	0	0	111.8	E54 E55 W61 E62	E54-S58 VanDerWaalsContact O-CB 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.34Å; E54-S58 PolarHBondContact O-N 3.47Å; E54-S58 PolarHBondContact O-OG 3.42Å; E55-S58 PolarHBondContact O-N 3.22Å; S58-W61 PolarHBondContact O-N 3.31Å; S58-E62 PolarHBondContact O-N 2.91Å
59	R	88.6	Confident	87.4	Confident	95 Å²	95	74.3 Å²	74.3	36%	0.358	37%	0.374	S	S	.	.	H	α-helix	trans	-70	-41.3	178.9	-170.3	55.2	161	-165.5	-13.4	112.3	L45 E55 A56 W61 E62 L63	L45-R59 HydrophobicContact CD1-CG 4.02Å; L45-R59 HydrophobicContact CD2-CB 4.29Å; L45-R59 HydrophobicContact CD2-CG 4.15Å; E55-R59 WeakPolarHBondContact O-CB 3.42Å; E55-R59 PolarHBondContact O-N 3.09Å; A56-R59 PolarHBondContact O-N 3.3Å; R59-W61 VanDerWaalsContact C-N 3.31Å; R59-W61 PolarHBondContact O-N 3.26Å; R59-E62 IonicContact CZ-OE2 3.91Å; R59-E62 IonicContact NH1-OE2 3.93Å; R59-E62 PolarHBondContact NH1-OE2 3.01Å; R59-E62 PolarHBondContact O-N 2.81Å; R59-L63 HydrophobicContact CG-CD1 4.21Å; R59-L63 WeakPolarHBondContact O-CB 3.39Å; R59-L63 VanDerWaalsContact O-CG 3.28Å; R59-L63 WeakPolarHBondContact O-CG 3.35Å; R59-L63 PolarHBondContact O-N 3.28Å
60	L	90.1	Very high	87.9	Confident	63 Å²	63	72.1 Å²	72.1	33%	0.33	37%	0.369	S	S	.	.	H	α-helix	trans	-58.8	-43	170.9	-74.8	170	0	0	0	111.5	F42 L45 A56 L57 L63 C64	F42-L60 HydrophobicContact CD2-CD2 3.8Å; F42-L60 HydrophobicContact CE2-CB 4.16Å; F42-L60 HydrophobicContact CE2-CD2 3.57Å; F42-L60 HydrophobicContact CE2-CG 4.46Å; F42-L60 HydrophobicContact CZ-CD2 4.37Å; L45-L60 HydrophobicContact CD2-CD2 3.66Å; L45-L60 HydrophobicContact CD2-CG 3.69Å; A56-L60 WeakPolarHBondContact O-CB 3.47Å; A56-L60 VanDerWaalsContact O-CG 3.28Å; A56-L60 WeakPolarHBondContact O-CG 3.45Å; A56-L60 PolarHBondContact O-N 2.79Å; L57-L60 PolarHBondContact O-N 2.98Å; L60-L63 PolarHBondContact O-N 2.91Å; L60-C64 WeakPolarHBondContact O-CB 3.48Å; L60-C64 PolarHBondContact O-N 3.44Å
61	W	89.6	Confident	88	Confident	171 Å²	171	76 Å²	76	65%	0.648	39%	0.386	S	S	*	.	H	α-helix	trans	-65.4	-43.3	179.3	-168.3	88.1	0	0	0	112.4	L57 S58 R59 C64 R65	L57-W61 WeakPolarHBondContact O-CB 3.5Å; L57-W61 PolarHBondContact O-N 3.34Å; S58-W61 PolarHBondContact O-N 3.31Å; R59-W61 VanDerWaalsContact C-N 3.31Å; R59-W61 PolarHBondContact O-N 3.26Å; W61-C64 PolarHBondContact O-N 3.19Å; W61-R65 WeakPolarHBondContact O-CB 3.42Å; W61-R65 PolarHBondContact O-N 3.42Å
62	E	90.1	Very high	88	Confident	62 Å²	62	77.5 Å²	77.5	29%	0.29	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-48.1	175	-177.5	-178.5	-143	0	0	112.1	S58 R59 R65 R66	S58-E62 PolarHBondContact O-N 2.91Å; R59-E62 IonicContact CZ-OE2 3.91Å; R59-E62 IonicContact NH1-OE2 3.93Å; R59-E62 PolarHBondContact NH1-OE2 3.01Å; R59-E62 PolarHBondContact O-N 2.81Å; E62-R65 PolarHBondContact O-N 2.92Å; E62-R66 WeakPolarHBondContact O-CG 3.32Å; E62-R66 PolarHBondContact O-N 2.87Å; E62-R66 IonicContact OE1-CZ 3.72Å; E62-R66 VanDerWaalsContact OE1-CZ 3.25Å; E62-R66 IonicContact OE1-NE 3.31Å; E62-R66 PolarHBondContact OE1-NE 3.05Å; E62-R66 IonicContact OE1-NH2 3.3Å; E62-R66 PolarHBondContact OE1-NH2 2.82Å
63	L	90.7	Very high	87.8	Confident	2 Å²	2	81.2 Å²	81.2	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-64	-44.4	179.1	-69.7	170.4	0	0	0	111.6	Q41 F42 R59 L60 R65 R66 W67	Q41-L63 HydrophobicContact CB-CD1 4.14Å; Q41-L63 HydrophobicContact CB-CD2 3.76Å; F42-L63 HydrophobicContact CB-CB 4.1Å; F42-L63 HydrophobicContact CD2-CB 4.15Å; R59-L63 HydrophobicContact CG-CD1 4.21Å; R59-L63 WeakPolarHBondContact O-CB 3.39Å; R59-L63 VanDerWaalsContact O-CG 3.28Å; R59-L63 WeakPolarHBondContact O-CG 3.35Å; R59-L63 PolarHBondContact O-N 3.28Å; L60-L63 PolarHBondContact O-N 2.91Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.39Å; L63-R66 PolarHBondContact O-N 3.36Å; L63-W67 WeakPolarHBondContact O-CB 3.45Å; L63-W67 PolarHBondContact O-N 3.39Å
64	C	89.9	Confident	88	Confident	32 Å²	32	79.3 Å²	79.3	22%	0.216	38%	0.376	C	S	.	.	H	α-helix	trans	-54.4	-47.1	171.7	-103.7	0	0	0	0	112.2	F42 L60 W61 W67 L68	F42-C64 HydrophobicContact CE2-CB 4.4Å; F42-C64 WeakPolarHBondContact CE2-SG 3.49Å; F42-C64 VanDerWaalsContact CZ-SG 3.56Å; L60-C64 WeakPolarHBondContact O-CB 3.48Å; L60-C64 PolarHBondContact O-N 3.44Å; W61-C64 PolarHBondContact O-N 3.19Å; C64-W67 PolarHBondContact O-N 3.09Å; C64-L68 VanDerWaalsContact O-CB 3.32Å; C64-L68 WeakPolarHBondContact O-CB 3.4Å; C64-L68 WeakPolarHBondContact O-CG 3.27Å; C64-L68 PolarHBondContact O-N 3.18Å
65	R	88	Confident	88	Confident	120 Å²	120	79.4 Å²	79.4	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-44.3	-179.3	-172.8	178.3	177.2	-157.4	-3.1	111.8	W61 E62 L63 R69 P70 E71	W61-R65 WeakPolarHBondContact O-CB 3.42Å; W61-R65 PolarHBondContact O-N 3.42Å; E62-R65 PolarHBondContact O-N 2.92Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.39Å; R65-R69 WeakPolarHBondContact O-CA 3.48Å; R65-R69 PolarHBondContact O-N 3.3Å; R65-P70 HydrophobicContact CG-CG 4.41Å; R65-E71 IonicContact CZ-OE1 2.7Å; R65-E71 IonicContact NE-OE1 3.94Å; R65-E71 PolarHBondContact NE-OE1 3.09Å; R65-E71 IonicContact NH2-OE1 3.53Å; R65-E71 PolarHBondContact NH2-OE1 3.19Å
66	R	87.8	Confident	87.9	Confident	89 Å²	89	80 Å²	80	34%	0.336	38%	0.376	S	S	.	.	H	α-helix	trans	-66.2	-35.5	179.7	-70.2	173.4	179.9	-159.6	-0.5	113.3	S38 E62 L63 R69	S38-R66 WeakPolarHBondContact OG-CB 3.49Å; E62-R66 WeakPolarHBondContact O-CG 3.32Å; E62-R66 PolarHBondContact O-N 2.87Å; E62-R66 IonicContact OE1-CZ 3.72Å; E62-R66 VanDerWaalsContact OE1-CZ 3.25Å; E62-R66 IonicContact OE1-NE 3.31Å; E62-R66 PolarHBondContact OE1-NE 3.05Å; E62-R66 IonicContact OE1-NH2 3.3Å; E62-R66 PolarHBondContact OE1-NH2 2.82Å; L63-R66 PolarHBondContact O-N 3.36Å; R66-R69 WeakPolarHBondContact O-CG 3.43Å; R66-R69 PolarHBondContact O-NE 3.04Å
67	W	90.4	Very high	87.6	Confident	5 Å²	5	83.7 Å²	83.7	2%	0.019	39%	0.392	C	S	.	.	H	α-helix	trans	-74.5	-56.1	175.4	162.9	43.7	0	0	0	112.4	R39 F42 L63 C64 L81 L82 E85	R39-W67 HydrophobicContact CB-CB 4.33Å; R39-W67 HydrophobicContact CB-CD2 4.15Å; R39-W67 HydrophobicContact CB-CG 3.75Å; R39-W67 HydrophobicContact CG-CD2 3.99Å; R39-W67 HydrophobicContact CG-CG 4.08Å; R39-W67 HydrophobicContact CG-CZ2 4.31Å; F42-W67 HydrophobicContact CD1-CZ3 4.47Å; L63-W67 WeakPolarHBondContact O-CB 3.45Å; L63-W67 PolarHBondContact O-N 3.39Å; C64-W67 PolarHBondContact O-N 3.09Å; W67-L81 HydrophobicContact CZ2-CB 3.92Å; W67-L82 HydrophobicContact CH2-CD2 4.01Å; W67-L82 HydrophobicContact CZ3-CD2 4.23Å; W67-E85 HydrophobicContact CH2-CB 4.36Å; W67-E85 HydrophobicContact CH2-CG 3.23Å; W67-E85 HydrophobicContact CZ2-CG 3.47Å; W67-E85 VanDerWaalsContact CZ2-CG 3.47Å; W67-E85 HydrophobicContact CZ3-CG 4.19Å
68	L	88.8	Confident	87.8	Confident	18 Å²	18	79.5 Å²	79.5	9%	0.094	37%	0.37	C	S	.	.	H	α-helix	trans	-74.6	-26.9	-172.8	-65	173.1	0	0	0	113.3	C64 R73 I78 L81 L82	C64-L68 VanDerWaalsContact O-CB 3.32Å; C64-L68 WeakPolarHBondContact O-CB 3.4Å; C64-L68 WeakPolarHBondContact O-CG 3.27Å; C64-L68 PolarHBondContact O-N 3.18Å; L68-R73 VanDerWaalsContact O-CD 3.27Å; L68-R73 WeakPolarHBondContact O-CD 3.4Å; L68-I78 HydrophobicContact CD1-CG2 4.29Å; L68-I78 HydrophobicContact CD2-CG2 4.39Å; L68-L81 HydrophobicContact CD2-CB 3.82Å; L68-L81 HydrophobicContact CD2-CD1 3.97Å; L68-L82 HydrophobicContact CD1-CD2 4.23Å; L68-L82 HydrophobicContact CD2-CD2 4.48Å; L68-L82 HydrophobicContact CD2-CG 4.38Å
69	R	87.9	Confident	87.8	Confident	82 Å²	82	80.9 Å²	80.9	31%	0.309	37%	0.371	S	S	.	.			trans	45.3	63.7	-177.5	-60.1	-167.3	178	178.3	-1.2	113.1	Q33 R65 R66 E71 L72 R73	Q33-R69 PolarHBondContact O-NH2 3.32Å; R65-R69 WeakPolarHBondContact O-CA 3.48Å; R65-R69 PolarHBondContact O-N 3.3Å; R66-R69 WeakPolarHBondContact O-CG 3.43Å; R66-R69 PolarHBondContact O-NE 3.04Å; R69-E71 PolarHBondContact O-N 3.1Å; R69-L72 HydrophobicContact CB-CB 4.37Å; R69-L72 PolarHBondContact O-N 3.31Å; R69-R73 PolarHBondContact O-N 3.14Å; R69-R73 VanDerWaalsContact O-N 3.12Å
70	P	85.6	Confident	87.8	Confident	71 Å²	71	82.3 Å²	82.3	46%	0.461	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.8	-179.8	28	-36.7	0	0	0	114.4	R65 I78	R65-P70 HydrophobicContact CG-CG 4.41Å; P70-I78 HydrophobicContact CB-CD1 4.07Å
71	E	87.8	Confident	87.7	Confident	109 Å²	109	79.8 Å²	79.8	51%	0.509	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.9	171.2	-57.6	81.4	179.4	0	0	113.6	R65 R69	R65-E71 IonicContact CZ-OE1 2.7Å; R65-E71 IonicContact NE-OE1 3.94Å; R65-E71 PolarHBondContact NE-OE1 3.09Å; R65-E71 IonicContact NH2-OE1 3.53Å; R65-E71 PolarHBondContact NH2-OE1 3.19Å; R69-E71 PolarHBondContact O-N 3.1Å
72	L	80	Confident	87.8	Confident	134 Å²	134	75.1 Å²	75.1	70%	0.702	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-14.2	-173.3	-61.7	179.7	0	0	0	114.3	R69	R69-L72 HydrophobicContact CB-CB 4.37Å; R69-L72 PolarHBondContact O-N 3.31Å
73	R	84.4	Confident	87.8	Confident	97 Å²	97	76.7 Å²	76.7	37%	0.366	37%	0.369	S	S	.	.	S	Bend	trans	-112.5	146.3	-176.9	-64.6	-164.9	-169.8	-107.4	6	112.6	L68 R69 Q77 I78	L68-R73 VanDerWaalsContact O-CD 3.27Å; L68-R73 WeakPolarHBondContact O-CD 3.4Å; R69-R73 PolarHBondContact O-N 3.14Å; R69-R73 VanDerWaalsContact O-N 3.12Å; R73-Q77 HydrophobicContact CB-CB 4.11Å; R73-I78 HydrophobicContact CB-CD1 4.35Å; R73-I78 HydrophobicContact CB-CG1 3.84Å
74	S	89.6	Confident	87.8	Confident	46 Å²	46	76.6 Å²	76.6	32%	0.322	37%	0.369	S	S	.	.			trans	-68.7	165.1	170.8	99.1	0	0	0	0	111.4	E76 Q77 I78	S74-E76 VanDerWaalsContact CB-OE2 3.25Å; S74-E76 WeakPolarHBondContact CB-OE2 3.28Å; S74-E76 PolarHBondContact O-N 3.47Å; S74-E76 PolarHBondContact OG-N 3.26Å; S74-E76 PolarHBondContact OG-OE2 3.23Å; S74-Q77 PolarHBondContact O-N 2.64Å; S74-Q77 PolarHBondContact OG-N 3.12Å; S74-I78 WeakPolarHBondContact O-CD1 3.46Å; S74-I78 VanDerWaalsContact O-CG1 3.24Å; S74-I78 WeakPolarHBondContact O-CG1 3.19Å; S74-I78 PolarHBondContact O-N 3.41Å
75	K	87.7	Confident	87.7	Confident	163 Å²	163	76.1 Å²	76.1	71%	0.709	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-33.6	178.5	-68.8	171	-175.3	162.8	0	111.7	L79	K75-L79 WeakPolarHBondContact O-CB 3.42Å; K75-L79 VanDerWaalsContact O-CG 3.23Å; K75-L79 WeakPolarHBondContact O-CG 3.43Å; K75-L79 PolarHBondContact O-N 3.07Å
76	E	85.4	Confident	87.9	Confident	115 Å²	115	75.9 Å²	75.9	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-67.4	-49.2	178.2	-56.7	65.2	-141.2	0	0	109.3	S74 I78 L79 E80	S74-E76 VanDerWaalsContact CB-OE2 3.25Å; S74-E76 WeakPolarHBondContact CB-OE2 3.28Å; S74-E76 PolarHBondContact O-N 3.47Å; S74-E76 PolarHBondContact OG-N 3.26Å; S74-E76 PolarHBondContact OG-OE2 3.23Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 3.07Å; E76-L79 CarbonylContact O-C 3.56Å; E76-L79 WeakPolarHBondContact O-CB 3.41Å; E76-L79 PolarHBondContact O-N 3.34Å; E76-L79 VanDerWaalsContact O-N 3.11Å; E76-E80 WeakPolarHBondContact O-CG 3.45Å; E76-E80 PolarHBondContact O-N 3.11Å
77	Q	83.1	Confident	88	Confident	86 Å²	86	74.3 Å²	74.3	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-36.4	175.2	-67	172.1	-23.6	0	0	113	R73 S74 E80 L81	R73-Q77 HydrophobicContact CB-CB 4.11Å; S74-Q77 PolarHBondContact O-N 2.64Å; S74-Q77 PolarHBondContact OG-N 3.12Å; Q77-E80 PolarHBondContact O-N 3.19Å; Q77-L81 PolarHBondContact O-N 3.35Å
78	I	90.3	Very high	87.8	Confident	32 Å²	32	74.1 Å²	74.1	16%	0.164	36%	0.363	C	S	.	.	H	α-helix	trans	-67.4	-40.6	173.8	-66.3	161.8	0	0	0	110.6	L68 P70 R73 S74 E76 L81 L82	L68-I78 HydrophobicContact CD1-CG2 4.29Å; L68-I78 HydrophobicContact CD2-CG2 4.39Å; P70-I78 HydrophobicContact CB-CD1 4.07Å; R73-I78 HydrophobicContact CB-CD1 4.35Å; R73-I78 HydrophobicContact CB-CG1 3.84Å; S74-I78 WeakPolarHBondContact O-CD1 3.46Å; S74-I78 VanDerWaalsContact O-CG1 3.24Å; S74-I78 WeakPolarHBondContact O-CG1 3.19Å; S74-I78 PolarHBondContact O-N 3.41Å; E76-I78 VanDerWaalsContact C-N 3.33Å; E76-I78 PolarHBondContact O-N 3.07Å; I78-L81 PolarHBondContact O-N 3.1Å; I78-L82 HydrophobicContact CG2-CD1 4.08Å; I78-L82 WeakPolarHBondContact O-CG 3.5Å; I78-L82 PolarHBondContact O-N 2.84Å; I78-L82 VanDerWaalsContact O-N 3.1Å
79	L	88.9	Confident	87.6	Confident	107 Å²	107	76.8 Å²	76.8	56%	0.56	38%	0.38	S	S	*	.	H	α-helix	trans	-65.4	-38.5	175	-75.1	167.9	0	0	0	111.8	K75 E76 L82 V83	K75-L79 WeakPolarHBondContact O-CB 3.42Å; K75-L79 VanDerWaalsContact O-CG 3.23Å; K75-L79 WeakPolarHBondContact O-CG 3.43Å; K75-L79 PolarHBondContact O-N 3.07Å; E76-L79 CarbonylContact O-C 3.56Å; E76-L79 WeakPolarHBondContact O-CB 3.41Å; E76-L79 PolarHBondContact O-N 3.34Å; E76-L79 VanDerWaalsContact O-N 3.11Å; L79-L82 PolarHBondContact O-N 3.15Å; L79-V83 WeakPolarHBondContact O-CB 3.26Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.5Å; L79-V83 PolarHBondContact O-N 2.88Å
80	E	87.6	Confident	87.7	Confident	124 Å²	124	78.5 Å²	78.5	58%	0.579	39%	0.394	S	S	*	.	H	α-helix	trans	-62.2	-41.5	175.4	-74	176.7	159	0	0	112.3	E76 Q77 V83 L84	E76-E80 WeakPolarHBondContact O-CG 3.45Å; E76-E80 PolarHBondContact O-N 3.11Å; Q77-E80 PolarHBondContact O-N 3.19Å; E80-V83 PolarHBondContact O-N 3.03Å; E80-L84 VanDerWaalsContact O-CB 3.23Å; E80-L84 WeakPolarHBondContact O-CB 3.49Å; E80-L84 PolarHBondContact O-N 3.25Å
81	L	88.8	Confident	87.6	Confident	11 Å²	11	75.9 Å²	75.9	6%	0.058	38%	0.376	C	S	.	.	H	α-helix	trans	-64.3	-39.9	173.6	-71.9	178.5	0	0	0	112.7	W67 L68 Q77 I78 L84 E85	W67-L81 HydrophobicContact CZ2-CB 3.92Å; L68-L81 HydrophobicContact CD2-CB 3.82Å; L68-L81 HydrophobicContact CD2-CD1 3.97Å; Q77-L81 PolarHBondContact O-N 3.35Å; I78-L81 PolarHBondContact O-N 3.1Å; L81-L84 HydrophobicContact CD2-CD2 4.44Å; L81-L84 WeakPolarHBondContact O-CB 3.44Å; L81-L84 PolarHBondContact O-N 2.98Å; L81-E85 PolarHBondContact O-N 3.05Å
82	L	90.4	Very high	87.5	Confident	73 Å²	73	73.7 Å²	73.7	38%	0.382	37%	0.371	S	S	.	.	H	α-helix	trans	-69.9	-38.1	176.6	-70.2	167.7	0	0	0	112.3	W67 L68 I78 L79 L84 E85 Q86	W67-L82 HydrophobicContact CH2-CD2 4.01Å; W67-L82 HydrophobicContact CZ3-CD2 4.23Å; L68-L82 HydrophobicContact CD1-CD2 4.23Å; L68-L82 HydrophobicContact CD2-CD2 4.48Å; L68-L82 HydrophobicContact CD2-CG 4.38Å; I78-L82 HydrophobicContact CG2-CD1 4.08Å; I78-L82 WeakPolarHBondContact O-CG 3.5Å; I78-L82 PolarHBondContact O-N 2.84Å; I78-L82 VanDerWaalsContact O-N 3.1Å; L79-L82 PolarHBondContact O-N 3.15Å; L82-L84 VanDerWaalsContact C-N 3.33Å; L82-E85 PolarHBondContact O-N 3.12Å; L82-Q86 PolarHBondContact O-N 3.4Å
83	V	90.5	Very high	87.4	Confident	94 Å²	94	75.1 Å²	75.1	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-65.8	-37.9	173.2	166.8	0	0	0	0	110.7	L79 E80 Q86 F87	L79-V83 WeakPolarHBondContact O-CB 3.26Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.5Å; L79-V83 PolarHBondContact O-N 2.88Å; E80-V83 PolarHBondContact O-N 3.03Å; V83-Q86 PolarHBondContact O-N 2.6Å; V83-F87 WeakPolarHBondContact O-CB 3.42Å; V83-F87 PolarHBondContact O-N 3.31Å
84	L	90	Very high	87.2	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-42.7	173.7	169	60.2	0	0	0	112.1	R39 E80 L81 L82 F87 L88 P104 E105 A110	R39-L84 VanDerWaalsContact NH2-CG 3.31Å; E80-L84 VanDerWaalsContact O-CB 3.23Å; E80-L84 WeakPolarHBondContact O-CB 3.49Å; E80-L84 PolarHBondContact O-N 3.25Å; L81-L84 HydrophobicContact CD2-CD2 4.44Å; L81-L84 WeakPolarHBondContact O-CB 3.44Å; L81-L84 PolarHBondContact O-N 2.98Å; L82-L84 VanDerWaalsContact C-N 3.33Å; L84-F87 PolarHBondContact O-N 3.31Å; L84-L88 HydrophobicContact CD1-CD1 3.85Å; L84-L88 HydrophobicContact CD1-CG 3.97Å; L84-L88 HydrophobicContact CG-CD1 4.2Å; L84-L88 WeakPolarHBondContact O-CB 3.21Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.24Å; L84-L88 PolarHBondContact O-N 3.12Å; L84-P104 HydrophobicContact CD1-CG 4.34Å; L84-E105 WeakPolarHBondContact CD2-O 3.46Å; L84-A110 HydrophobicContact CD1-CB 3.48Å; L84-A110 VanDerWaalsContact CD1-CB 3.48Å
85	E	89.4	Confident	86.7	Confident	23 Å²	23	73.7 Å²	73.7	11%	0.107	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-45.9	171.3	-69	-49.6	99.7	0	0	112.1	R39 R43 W67 L81 L82 F87 L88 T89	R39-E85 IonicContact CZ-OE1 3.25Å; R39-E85 IonicContact NE-OE1 3.25Å; R39-E85 PolarHBondContact NE-OE1 3.1Å; R39-E85 IonicContact NH2-OE1 2.7Å; R39-E85 PolarHBondContact NH2-OE1 3.02Å; R43-E85 IonicContact CZ-OE1 3.65Å; R43-E85 IonicContact CZ-OE2 3.71Å; R43-E85 VanDerWaalsContact CZ-OE2 3.25Å; R43-E85 IonicContact NE-OE1 3.72Å; R43-E85 IonicContact NE-OE2 2.88Å; R43-E85 PolarHBondContact NE-OE2 3Å; R43-E85 VanDerWaalsContact NH2-CD 3.26Å; R43-E85 IonicContact NH2-OE1 2.67Å; R43-E85 PolarHBondContact NH2-OE1 2.81Å; R43-E85 IonicContact NH2-OE2 2.73Å; R43-E85 PolarHBondContact NH2-OE2 3.39Å; W67-E85 HydrophobicContact CH2-CB 4.36Å; W67-E85 HydrophobicContact CH2-CG 3.23Å; W67-E85 HydrophobicContact CZ2-CG 3.47Å; W67-E85 VanDerWaalsContact CZ2-CG 3.47Å; W67-E85 HydrophobicContact CZ3-CG 4.19Å; L81-E85 PolarHBondContact O-N 3.05Å; L82-E85 PolarHBondContact O-N 3.12Å; E85-F87 VanDerWaalsContact C-N 3.25Å; E85-F87 PolarHBondContact O-N 3.45Å; E85-L88 CarbonylContact O-C 3.4Å; E85-L88 PolarHBondContact O-N 2.96Å; E85-L88 VanDerWaalsContact O-N 3.15Å; E85-T89 WeakPolarHBondContact O-CG2 3.25Å; E85-T89 PolarHBondContact O-N 3.47Å; E85-T89 VanDerWaalsContact O-N 3.09Å
86	Q	91	Very high	86.4	Confident	114 Å²	114	68 Å²	68	53%	0.533	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-34.9	179	-170.8	57	72.8	0	0	111.6	L82 V83 T89 I90	L82-Q86 PolarHBondContact O-N 3.4Å; V83-Q86 PolarHBondContact O-N 2.6Å; Q86-T89 PolarHBondContact NE2-OG1 2.81Å; Q86-T89 PolarHBondContact O-N 3.26Å; Q86-T89 PolarHBondContact O-OG1 2.43Å; Q86-I90 WeakPolarHBondContact O-CG1 3.41Å; Q86-I90 PolarHBondContact O-N 3.26Å
87	F	89.4	Confident	86.1	Confident	57 Å²	57	65 Å²	65	25%	0.25	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-47.9	171.7	-174.8	-101.2	0	0	0	111.6	V83 L84 E85 T89 I90 L91 A110 A111	V83-F87 WeakPolarHBondContact O-CB 3.42Å; V83-F87 PolarHBondContact O-N 3.31Å; L84-F87 PolarHBondContact O-N 3.31Å; E85-F87 VanDerWaalsContact C-N 3.25Å; E85-F87 PolarHBondContact O-N 3.45Å; F87-T89 PolarHBondContact O-N 3.17Å; F87-T89 VanDerWaalsContact O-N 3.1Å; F87-I90 WeakPolarHBondContact O-CG1 3.32Å; F87-I90 PolarHBondContact O-N 2.84Å; F87-I90 VanDerWaalsContact O-N 3.14Å; F87-L91 HydrophobicContact CD1-CD1 4.42Å; F87-L91 HydrophobicContact CD1-CG 4.43Å; F87-L91 HydrophobicContact CE1-CD1 4.1Å; F87-L91 HydrophobicContact CE1-CD2 3.88Å; F87-L91 HydrophobicContact CE1-CG 4.09Å; F87-L91 HydrophobicContact CZ-CD2 3.82Å; F87-L91 HydrophobicContact CZ-CG 4.43Å; F87-L91 PolarHBondContact O-N 2.98Å; F87-A110 HydrophobicContact CD1-CB 3.79Å; F87-A110 HydrophobicContact CE1-CB 3.88Å; F87-A111 HydrophobicContact CE1-CB 4.27Å; F87-A111 HydrophobicContact CZ-CB 3.92Å
88	L	86.5	Confident	85.8	Confident	1 Å²	1	62 Å²	62	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-6.8	178.3	-67.9	173.9	0	0	0	114.4	R43 L84 E85 L91 V99 R100 P104 A110	R43-L88 VanDerWaalsContact NH2-CD1 3.31Å; L84-L88 HydrophobicContact CD1-CD1 3.85Å; L84-L88 HydrophobicContact CD1-CG 3.97Å; L84-L88 HydrophobicContact CG-CD1 4.2Å; L84-L88 WeakPolarHBondContact O-CB 3.21Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.24Å; L84-L88 PolarHBondContact O-N 3.12Å; E85-L88 CarbonylContact O-C 3.4Å; E85-L88 PolarHBondContact O-N 2.96Å; E85-L88 VanDerWaalsContact O-N 3.15Å; L88-L91 HydrophobicContact CD2-CD1 4.03Å; L88-V99 HydrophobicContact CD2-CB 4.41Å; L88-V99 HydrophobicContact CD2-CG1 3.62Å; L88-R100 HydrophobicContact CD2-CG 4.39Å; L88-R100 PolarHBondContact O-NE 3.01Å; L88-R100 VanDerWaalsContact O-NE 3.16Å; L88-R100 PolarHBondContact O-NH2 2.91Å; L88-P104 HydrophobicContact CD1-CG 4.41Å; L88-P104 HydrophobicContact CD2-CG 4.26Å; L88-A110 HydrophobicContact CD2-CB 4.22Å
89	T	85.9	Confident	85.4	Confident	73 Å²	73	60.4 Å²	60.4	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-101	-21.2	171.1	59.6	0	0	0	0	113.9	E85 Q86 F87 Q96	E85-T89 WeakPolarHBondContact O-CG2 3.25Å; E85-T89 PolarHBondContact O-N 3.47Å; E85-T89 VanDerWaalsContact O-N 3.09Å; Q86-T89 PolarHBondContact NE2-OG1 2.81Å; Q86-T89 PolarHBondContact O-N 3.26Å; Q86-T89 PolarHBondContact O-OG1 2.43Å; F87-T89 PolarHBondContact O-N 3.17Å; F87-T89 VanDerWaalsContact O-N 3.1Å; T89-Q96 PolarHBondContact O-NE2 3.15Å
90	I	88.6	Confident	85.1	Confident	119 Å²	119	58.7 Å²	58.7	61%	0.61	30%	0.304	S	S	*	.	H	α-helix	trans	-95.2	-6.4	177.5	65.7	174.9	0	0	0	113.9	Q86 F87	Q86-I90 WeakPolarHBondContact O-CG1 3.41Å; Q86-I90 PolarHBondContact O-N 3.26Å; F87-I90 WeakPolarHBondContact O-CG1 3.32Å; F87-I90 PolarHBondContact O-N 2.84Å; F87-I90 VanDerWaalsContact O-N 3.14Å
91	L	85.4	Confident	84.6	Confident	15 Å²	15	58.6 Å²	58.6	8%	0.079	31%	0.308	C	S	.	.	S	Bend	trans	-60.6	141.1	171.1	-77	174.7	0	0	0	111	F87 L88 Q96 V99 A114	F87-L91 HydrophobicContact CD1-CD1 4.42Å; F87-L91 HydrophobicContact CD1-CG 4.43Å; F87-L91 HydrophobicContact CE1-CD1 4.1Å; F87-L91 HydrophobicContact CE1-CD2 3.88Å; F87-L91 HydrophobicContact CE1-CG 4.09Å; F87-L91 HydrophobicContact CZ-CD2 3.82Å; F87-L91 HydrophobicContact CZ-CG 4.43Å; F87-L91 PolarHBondContact O-N 2.98Å; L88-L91 HydrophobicContact CD2-CD1 4.03Å; L91-Q96 HydrophobicContact CB-CB 4.28Å; L91-Q96 PolarHBondContact O-NE2 3.19Å; L91-V99 HydrophobicContact CD1-CB 3.84Å; L91-V99 HydrophobicContact CD1-CG1 3.82Å; L91-V99 HydrophobicContact CD1-CG2 4.06Å; L91-A114 HydrophobicContact CD2-CB 3.75Å
92	P	85.1	Confident	84	Confident	64 Å²	64	62 Å²	62	42%	0.416	32%	0.323	S	S	.	.			trans	-49.6	146	169.2	-24.9	33.5	0	0	0	111.6	E94 L95 Q96	P92-E94 VanDerWaalsContact C-OE2 3.29Å; P92-E94 WeakPolarHBondContact CB-OE2 3.49Å; P92-E94 PolarHBondContact O-N 3.23Å; P92-L95 HydrophobicContact CG-CD1 4.43Å; P92-L95 PolarHBondContact O-N 3.44Å; P92-Q96 VanDerWaalsContact O-CB 3.28Å; P92-Q96 WeakPolarHBondContact O-CB 3.27Å; P92-Q96 PolarHBondContact O-N 3.4Å
93	Q	78.3	Confident	83.3	Confident	164 Å²	164	60.2 Å²	60.2	77%	0.766	32%	0.316	S	S	*	.	H	α-helix	trans	-59.7	-34.2	-170.8	-64.4	-171.4	3.7	0	0	112.3	L95 Q96	Q93-L95 PolarHBondContact O-N 3.14Å; Q93-Q96 PolarHBondContact O-N 3.02Å
94	E	78.6	Confident	82.9	Confident	106 Å²	106	55.8 Å²	55.8	50%	0.495	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-43.2	176.7	-51.4	73.8	-162.9	0	0	111.2	P92 F132	P92-E94 VanDerWaalsContact C-OE2 3.29Å; P92-E94 WeakPolarHBondContact CB-OE2 3.49Å; P92-E94 PolarHBondContact O-N 3.23Å; E94-F132 WeakPolarHBondContact O-CE2 3.26Å; E94-F132 WeakPolarHBondContact O-CZ 3.36Å
95	L	80.1	Confident	82.4	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-84.7	-27.4	177.4	-56.2	-173.7	0	0	0	112.2	P92 Q93 A97 C98 V99 A114 L117 Q118	P92-L95 HydrophobicContact CG-CD1 4.43Å; P92-L95 PolarHBondContact O-N 3.44Å; Q93-L95 PolarHBondContact O-N 3.14Å; L95-A97 PolarHBondContact O-N 3.38Å; L95-C98 PolarHBondContact O-N 2.93Å; L95-V99 WeakPolarHBondContact O-CB 3.42Å; L95-V99 VanDerWaalsContact O-CG2 3.3Å; L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 2.87Å; L95-A114 HydrophobicContact CD1-CB 4.46Å; L95-L117 HydrophobicContact CD2-CB 3.73Å; L95-Q118 HydrophobicContact CD1-CB 4.46Å
96	Q	80.9	Confident	82	Confident	42 Å²	42	64.4 Å²	64.4	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-35	-168.4	-171.7	172.9	122.9	0	0	113.2	T89 L91 P92 Q93 R100	T89-Q96 PolarHBondContact O-NE2 3.15Å; L91-Q96 HydrophobicContact CB-CB 4.28Å; L91-Q96 PolarHBondContact O-NE2 3.19Å; P92-Q96 VanDerWaalsContact O-CB 3.28Å; P92-Q96 WeakPolarHBondContact O-CB 3.27Å; P92-Q96 PolarHBondContact O-N 3.4Å; Q93-Q96 PolarHBondContact O-N 3.02Å; Q96-R100 VanDerWaalsContact CG-CZ 3.48Å; Q96-R100 WeakPolarHBondContact O-CB 3.42Å; Q96-R100 VanDerWaalsContact O-CD 3.27Å; Q96-R100 WeakPolarHBondContact O-CD 3.38Å; Q96-R100 WeakPolarHBondContact O-CG 3.47Å; Q96-R100 PolarHBondContact O-N 3Å; Q96-R100 VanDerWaalsContact OE1-NH1 3.11Å
97	A	78.9	Confident	81.6	Confident	54 Å²	54	60.2 Å²	60.2	45%	0.446	32%	0.322	S	S	.	.	H	α-helix	trans	-67.1	-62.6	175.2	0	0	0	0	0	111	L95 V99 R100 D101	L95-A97 PolarHBondContact O-N 3.38Å; A97-V99 PolarHBondContact O-N 3.23Å; A97-R100 CarbonylContact O-C 3.15Å; A97-R100 WeakPolarHBondContact O-CA 3.41Å; A97-R100 WeakPolarHBondContact O-CB 3.27Å; A97-R100 PolarHBondContact O-N 3.48Å; A97-D101 PolarHBondContact O-N 3.45Å
98	C	77.1	Confident	81.2	Confident	21 Å²	21	64 Å²	64	14%	0.142	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-41.6	-175	178.1	0	0	0	0	113.4	L95 R100 D101 H102 L117 F132	L95-C98 PolarHBondContact O-N 2.93Å; C98-R100 VanDerWaalsContact C-N 3.27Å; C98-R100 PolarHBondContact O-N 3.02Å; C98-D101 PolarHBondContact O-N 3.49Å; C98-H102 PolarHBondContact O-CD2 2.82Å; C98-H102 PolarHBondContact O-N 3.07Å; C98-H102 VanDerWaalsContact O-N 3.12Å; C98-H102 PolarHBondContact SG-NE2 3.19Å; C98-H102 VanDerWaalsContact SG-NE2 3.44Å; C98-L117 HydrophobicContact CB-CD1 4.08Å; C98-L117 VanDerWaalsContact SG-CD1 3.54Å; C98-F132 HydrophobicContact CB-CE1 4.21Å; C98-F132 HydrophobicContact CB-CZ 3.78Å
99	V	82.5	Confident	81	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-67.1	-27.4	175.9	-177	0	0	0	0	111.8	L88 L91 L95 A97 P104 A110 L113 A114 L117	L88-V99 HydrophobicContact CD2-CB 4.41Å; L88-V99 HydrophobicContact CD2-CG1 3.62Å; L91-V99 HydrophobicContact CD1-CB 3.84Å; L91-V99 HydrophobicContact CD1-CG1 3.82Å; L91-V99 HydrophobicContact CD1-CG2 4.06Å; L95-V99 WeakPolarHBondContact O-CB 3.42Å; L95-V99 VanDerWaalsContact O-CG2 3.3Å; L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 2.87Å; A97-V99 PolarHBondContact O-N 3.23Å; V99-P104 HydrophobicContact CG1-CG 4.32Å; V99-P104 WeakPolarHBondContact O-CD 3.42Å; V99-A110 HydrophobicContact CG1-CB 4.26Å; V99-L113 HydrophobicContact CG1-CB 4.17Å; V99-L113 HydrophobicContact CG1-CD1 4.23Å; V99-L113 HydrophobicContact CG2-CB 4.18Å; V99-A114 HydrophobicContact CG2-CB 4.3Å; V99-L117 HydrophobicContact CG2-CD1 3.53Å
100	R	81.4	Confident	81	Confident	71 Å²	71	62.5 Å²	62.5	27%	0.268	33%	0.328	S	S	.	.	H	α-helix	trans	-78.4	-35.4	173.2	-74.8	174.5	-179.1	174.2	4.6	112.7	L88 Q96 A97 C98 H102 C103	L88-R100 HydrophobicContact CD2-CG 4.39Å; L88-R100 PolarHBondContact O-NE 3.01Å; L88-R100 VanDerWaalsContact O-NE 3.16Å; L88-R100 PolarHBondContact O-NH2 2.91Å; Q96-R100 VanDerWaalsContact CG-CZ 3.48Å; Q96-R100 WeakPolarHBondContact O-CB 3.42Å; Q96-R100 VanDerWaalsContact O-CD 3.27Å; Q96-R100 WeakPolarHBondContact O-CD 3.38Å; Q96-R100 WeakPolarHBondContact O-CG 3.47Å; Q96-R100 PolarHBondContact O-N 3Å; Q96-R100 VanDerWaalsContact OE1-NH1 3.11Å; A97-R100 CarbonylContact O-C 3.15Å; A97-R100 WeakPolarHBondContact O-CA 3.41Å; A97-R100 WeakPolarHBondContact O-CB 3.27Å; A97-R100 PolarHBondContact O-N 3.48Å; C98-R100 VanDerWaalsContact C-N 3.27Å; C98-R100 PolarHBondContact O-N 3.02Å; R100-H102 VanDerWaalsContact C-N 3.29Å; R100-H102 PolarHBondContact O-N 2.81Å; R100-C103 PolarHBondContact O-N 3.21Å; R100-C103 PolarHBondContact O-SG 2.68Å; R100-C103 VanDerWaalsContact O-SG 3.39Å
101	D	78.8	Confident	80.9	Confident	122 Å²	122	58 Å²	58	65%	0.652	31%	0.309	S	S	*	.	H	α-helix	trans	-64.3	-36.4	176.7	-65.9	-35.1	0	0	0	111.5	A97 C98 C103	A97-D101 PolarHBondContact O-N 3.45Å; C98-D101 PolarHBondContact O-N 3.49Å; D101-C103 PolarHBondContact O-N 3.29Å; D101-C103 PolarHBondContact O-SG 3.46Å
102	H	75.2	Confident	80.8	Confident	81 Å²	81	58.4 Å²	58.4	38%	0.375	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.9	172.4	-67.3	-40.8	0	0	0	114.9	C98 R100 L113	C98-H102 PolarHBondContact O-CD2 2.82Å; C98-H102 PolarHBondContact O-N 3.07Å; C98-H102 VanDerWaalsContact O-N 3.12Å; C98-H102 PolarHBondContact SG-NE2 3.19Å; C98-H102 VanDerWaalsContact SG-NE2 3.44Å; R100-H102 VanDerWaalsContact C-N 3.29Å; R100-H102 PolarHBondContact O-N 2.81Å; H102-L113 HydrophobicContact CB-CD1 3.76Å
103	C	76.5	Confident	80.7	Confident	37 Å²	37	55.9 Å²	55.9	25%	0.25	30%	0.298	C	S	.	.			trans	48.8	50.8	170.5	-55.1	0	0	0	0	116	E36 K40 R100 D101	E36-C103 HydrophobicContact CG-CB 4.49Å; K40-C103 VanDerWaalsContact CE-SG 3.58Å; K40-C103 PolarHBondContact NZ-SG 2.95Å; R100-C103 PolarHBondContact O-N 3.21Å; R100-C103 PolarHBondContact O-SG 2.68Å; R100-C103 VanDerWaalsContact O-SG 3.39Å; D101-C103 PolarHBondContact O-N 3.29Å; D101-C103 PolarHBondContact O-SG 3.46Å
104	P	81.4	Confident	81.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.			trans	-59	141.7	-176.5	24.1	-34.6	0	0	0	112.7	R39 L84 L88 V99 E109 A110 L113	R39-P104 PolarHBondContact NH1-O 2.81Å; R39-P104 PolarHBondContact NH2-O 3.18Å; L84-P104 HydrophobicContact CD1-CG 4.34Å; L88-P104 HydrophobicContact CD1-CG 4.41Å; L88-P104 HydrophobicContact CD2-CG 4.26Å; V99-P104 HydrophobicContact CG1-CG 4.32Å; V99-P104 WeakPolarHBondContact O-CD 3.42Å; P104-E109 WeakPolarHBondContact CA-OE2 3.24Å; P104-E109 HydrophobicContact CB-CB 4.25Å; P104-E109 HydrophobicContact CB-CG 3.92Å; P104-A110 HydrophobicContact CB-CB 3.95Å; P104-A110 HydrophobicContact CG-CB 3.69Å; P104-L113 HydrophobicContact CB-CD1 4.07Å; P104-L113 HydrophobicContact CG-CD1 4.18Å
105	E	79.1	Confident	81.4	Confident	160 Å²	160	50.2 Å²	50.2	75%	0.748	27%	0.267	S	S	*	.	S	Bend	trans	-89.6	-22	178.7	-61.3	-167	176.1	0	0	112.3	L84 E109	L84-E105 WeakPolarHBondContact CD2-O 3.46Å; E105-E109 PolarHBondContact N-OE2 2.86Å
106	S	81.5	Confident	81.5	Confident	45 Å²	45	50.9 Å²	50.9	32%	0.315	27%	0.27	S	S	.	.	S	Bend	trans	-129.8	153.9	179	77.1	0	0	0	0	114.3	Q108 E109 A110	S106-Q108 PolarHBondContact O-N 3.38Å; S106-E109 PolarHBondContact N-OE2 3.1Å; S106-E109 PolarHBondContact O-N 2.95Å; S106-E109 VanDerWaalsContact OG-CB 3.23Å; S106-E109 WeakPolarHBondContact OG-CB 3.15Å; S106-E109 PolarHBondContact OG-N 2.67Å; S106-E109 VanDerWaalsContact OG-N 3.1Å; S106-A110 PolarHBondContact O-N 3.01Å
107	G	82.4	Confident	81.4	Confident	26 Å²	26	49.6 Å²	49.6	27%	0.268	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-30.4	173.1	0	0	0	0	0	113.7	A111	G107-A111 VanDerWaalsContact O-CB 3.28Å; G107-A111 WeakPolarHBondContact O-CB 3.47Å; G107-A111 PolarHBondContact O-N 3.1Å
108	Q	81.1	Confident	81.7	Confident	136 Å²	136	50.3 Å²	50.3	64%	0.636	26%	0.259	S	S	*	.	H	α-helix	trans	-71.3	-40.7	177.6	-63.2	-174.1	3.3	0	0	111.8	S106 A111 A112	S106-Q108 PolarHBondContact O-N 3.38Å; Q108-A111 PolarHBondContact O-N 3.24Å; Q108-A112 WeakPolarHBondContact O-CB 3.47Å; Q108-A112 PolarHBondContact O-N 2.83Å
109	E	82.4	Confident	81.9	Confident	42 Å²	42	56.4 Å²	56.4	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-49.9	173.9	-178.9	-175.6	-158.5	0	0	111.2	P104 E105 S106 A111 A112 L113	P104-E109 WeakPolarHBondContact CA-OE2 3.24Å; P104-E109 HydrophobicContact CB-CB 4.25Å; P104-E109 HydrophobicContact CB-CG 3.92Å; E105-E109 PolarHBondContact N-OE2 2.86Å; S106-E109 PolarHBondContact N-OE2 3.1Å; S106-E109 PolarHBondContact O-N 2.95Å; S106-E109 VanDerWaalsContact OG-CB 3.23Å; S106-E109 WeakPolarHBondContact OG-CB 3.15Å; S106-E109 PolarHBondContact OG-N 2.67Å; S106-E109 VanDerWaalsContact OG-N 3.1Å; E109-A111 VanDerWaalsContact C-N 3.26Å; E109-A111 PolarHBondContact O-N 2.59Å; E109-A112 WeakPolarHBondContact O-CA 3.49Å; E109-A112 WeakPolarHBondContact O-CB 3.06Å; E109-A112 PolarHBondContact O-N 3.01Å; E109-L113 HydrophobicContact CG-CD1 4.47Å; E109-L113 WeakPolarHBondContact O-CG 3.46Å; E109-L113 PolarHBondContact O-N 3.26Å
110	A	85.9	Confident	81.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-40.7	175.3	0	0	0	0	0	112.2	L84 F87 L88 V99 P104 S106 A112 A114	L84-A110 HydrophobicContact CD1-CB 3.48Å; L84-A110 VanDerWaalsContact CD1-CB 3.48Å; F87-A110 HydrophobicContact CD1-CB 3.79Å; F87-A110 HydrophobicContact CE1-CB 3.88Å; L88-A110 HydrophobicContact CD2-CB 4.22Å; V99-A110 HydrophobicContact CG1-CB 4.26Å; P104-A110 HydrophobicContact CB-CB 3.95Å; P104-A110 HydrophobicContact CG-CB 3.69Å; S106-A110 PolarHBondContact O-N 3.01Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.42Å; A110-A114 WeakPolarHBondContact O-CB 3.06Å; A110-A114 PolarHBondContact O-N 3.41Å
111	A	86.6	Confident	81	Confident	26 Å²	26	55.1 Å²	55.1	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-70.5	-23.3	174.5	0	0	0	0	0	113.4	F87 G107 Q108 E109 R115	F87-A111 HydrophobicContact CE1-CB 4.27Å; F87-A111 HydrophobicContact CZ-CB 3.92Å; G107-A111 VanDerWaalsContact O-CB 3.28Å; G107-A111 WeakPolarHBondContact O-CB 3.47Å; G107-A111 PolarHBondContact O-N 3.1Å; Q108-A111 PolarHBondContact O-N 3.24Å; E109-A111 VanDerWaalsContact C-N 3.26Å; E109-A111 PolarHBondContact O-N 2.59Å; A111-R115 WeakPolarHBondContact O-CB 3.46Å; A111-R115 WeakPolarHBondContact O-CG 3.39Å; A111-R115 PolarHBondContact O-N 2.64Å; A111-R115 PolarHBondContact O-NE 2.88Å; A111-R115 PolarHBondContact O-NH2 2.87Å
112	A	83.6	Confident	80.8	Confident	23 Å²	23	53 Å²	53	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-76.7	-47.4	173.1	0	0	0	0	0	111.3	Q108 E109 A110 A114 R115 I116	Q108-A112 WeakPolarHBondContact O-CB 3.47Å; Q108-A112 PolarHBondContact O-N 2.83Å; E109-A112 WeakPolarHBondContact O-CA 3.49Å; E109-A112 WeakPolarHBondContact O-CB 3.06Å; E109-A112 PolarHBondContact O-N 3.01Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.42Å; A112-A114 PolarHBondContact O-N 2.96Å; A112-R115 VanDerWaalsContact CA-NH2 3.3Å; A112-R115 PolarHBondContact O-N 2.99Å; A112-R115 VanDerWaalsContact O-N 3.13Å; A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.82Å
113	L	82.5	Confident	80.6	Confident	11 Å²	11	53.4 Å²	53.4	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-53.9	-51.3	172.8	-63.7	173.8	0	0	0	110.8	V99 H102 P104 E109 R115 I116 L117 L147	V99-L113 HydrophobicContact CG1-CB 4.17Å; V99-L113 HydrophobicContact CG1-CD1 4.23Å; V99-L113 HydrophobicContact CG2-CB 4.18Å; H102-L113 HydrophobicContact CB-CD1 3.76Å; P104-L113 HydrophobicContact CB-CD1 4.07Å; P104-L113 HydrophobicContact CG-CD1 4.18Å; E109-L113 HydrophobicContact CG-CD1 4.47Å; E109-L113 WeakPolarHBondContact O-CG 3.46Å; E109-L113 PolarHBondContact O-N 3.26Å; L113-R115 VanDerWaalsContact C-N 3.3Å; L113-R115 PolarHBondContact O-N 3.25Å; L113-I116 PolarHBondContact O-N 2.81Å; L113-I116 VanDerWaalsContact O-N 3.16Å; L113-L117 WeakPolarHBondContact O-CG 3.22Å; L113-L117 PolarHBondContact O-N 2.84Å; L113-L147 HydrophobicContact CD2-CD2 3.47Å; L113-L147 VanDerWaalsContact CD2-CD2 3.47Å
114	A	85.8	Confident	80	Confident	10 Å²	10	51.9 Å²	51.9	8%	0.083	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-37.2	177.6	0	0	0	0	0	113.1	L91 L95 V99 A110 A112 Q118	L91-A114 HydrophobicContact CD2-CB 3.75Å; L95-A114 HydrophobicContact CD1-CB 4.46Å; V99-A114 HydrophobicContact CG2-CB 4.3Å; A110-A114 WeakPolarHBondContact O-CB 3.06Å; A110-A114 PolarHBondContact O-N 3.41Å; A112-A114 PolarHBondContact O-N 2.96Å; A114-Q118 VanDerWaalsContact O-CB 3.28Å; A114-Q118 WeakPolarHBondContact O-CB 3.38Å; A114-Q118 PolarHBondContact O-N 2.82Å
115	R	86.1	Confident	79.2	Confident	141 Å²	141	55.7 Å²	55.7	53%	0.532	28%	0.28	S	S	.	.	H	α-helix	trans	-70.1	-33.8	176.3	-83.9	176.9	-74.7	125.4	-6.4	113.5	A111 A112 L113 R119	A111-R115 WeakPolarHBondContact O-CB 3.46Å; A111-R115 WeakPolarHBondContact O-CG 3.39Å; A111-R115 PolarHBondContact O-N 2.64Å; A111-R115 PolarHBondContact O-NE 2.88Å; A111-R115 PolarHBondContact O-NH2 2.87Å; A112-R115 VanDerWaalsContact CA-NH2 3.3Å; A112-R115 PolarHBondContact O-N 2.99Å; A112-R115 VanDerWaalsContact O-N 3.13Å; L113-R115 VanDerWaalsContact C-N 3.3Å; L113-R115 PolarHBondContact O-N 3.25Å; R115-R119 WeakPolarHBondContact O-CD 3.31Å; R115-R119 VanDerWaalsContact O-CG 3.26Å; R115-R119 WeakPolarHBondContact O-CG 3.43Å; R115-R119 PolarHBondContact O-N 3.43Å
116	I	81.4	Confident	78.5	Confident	21 Å²	21	53 Å²	53	11%	0.108	28%	0.279	C	S	.	.	H	α-helix	trans	-70.8	-48.8	175.8	-66.8	164.9	0	0	0	109.3	A112 L113 Q118 R119 A120 L139 L147	A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.82Å; L113-I116 PolarHBondContact O-N 2.81Å; L113-I116 VanDerWaalsContact O-N 3.16Å; I116-Q118 PolarHBondContact O-N 3.46Å; I116-R119 PolarHBondContact O-N 3.27Å; I116-A120 PolarHBondContact O-N 3.14Å; I116-L139 HydrophobicContact CG2-CD2 4.22Å; I116-L147 HydrophobicContact CB-CD2 4.47Å; I116-L147 HydrophobicContact CD1-CD2 3.67Å; I116-L147 HydrophobicContact CD1-CG 4.17Å; I116-L147 HydrophobicContact CG2-CD1 4.49Å; I116-L147 HydrophobicContact CG2-CD2 4.24Å; I116-L147 HydrophobicContact CG2-CG 4.41Å
117	L	80.1	Confident	77.4	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-39.1	-179.6	-65.4	166.2	0	0	0	112.8	L95 C98 V99 L113 R119 A120 L121	L95-L117 HydrophobicContact CD2-CB 3.73Å; C98-L117 HydrophobicContact CB-CD1 4.08Å; C98-L117 VanDerWaalsContact SG-CD1 3.54Å; V99-L117 HydrophobicContact CG2-CD1 3.53Å; L113-L117 WeakPolarHBondContact O-CG 3.22Å; L113-L117 PolarHBondContact O-N 2.84Å; L117-R119 PolarHBondContact O-N 3.48Å; L117-A120 PolarHBondContact O-N 3.3Å; L117-L121 WeakPolarHBondContact O-CB 2.94Å; L117-L121 PolarHBondContact O-N 2.83Å
118	Q	83.6	Confident	76.1	Confident	69 Å²	69	59 Å²	59	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-45.7	173.3	-173.7	65.9	58.2	0	0	111.2	L95 A114 I116 A120 L121 D122	L95-Q118 HydrophobicContact CD1-CB 4.46Å; A114-Q118 VanDerWaalsContact O-CB 3.28Å; A114-Q118 WeakPolarHBondContact O-CB 3.38Å; A114-Q118 PolarHBondContact O-N 2.82Å; I116-Q118 PolarHBondContact O-N 3.46Å; Q118-A120 VanDerWaalsContact C-N 3.32Å; Q118-A120 PolarHBondContact O-N 3.21Å; Q118-L121 WeakPolarHBondContact O-CB 3.38Å; Q118-L121 PolarHBondContact O-N 3.18Å; Q118-L121 VanDerWaalsContact O-N 3.15Å; Q118-D122 PolarHBondContact NE2-OD1 2.75Å; Q118-D122 PolarHBondContact O-N 3.43Å
119	R	80.9	Confident	74.7	Confident	149 Å²	149	58 Å²	58	56%	0.562	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-37.7	177	-72.4	167.9	175.1	-174.3	-4	112.7	R115 I116 L117 R123	R115-R119 WeakPolarHBondContact O-CD 3.31Å; R115-R119 VanDerWaalsContact O-CG 3.26Å; R115-R119 WeakPolarHBondContact O-CG 3.43Å; R115-R119 PolarHBondContact O-N 3.43Å; I116-R119 PolarHBondContact O-N 3.27Å; L117-R119 PolarHBondContact O-N 3.48Å; R119-R123 VanDerWaalsContact O-CG 3.31Å; R119-R123 WeakPolarHBondContact O-CG 3.44Å; R119-R123 PolarHBondContact O-N 3.35Å; R119-R123 VanDerWaalsContact O-N 3.13Å
120	A	74.3	Confident	73.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-44.8	173.9	0	0	0	0	0	111.3	I116 L117 Q118 R123 A124 V135 L139	I116-A120 PolarHBondContact O-N 3.14Å; L117-A120 PolarHBondContact O-N 3.3Å; Q118-A120 VanDerWaalsContact C-N 3.32Å; Q118-A120 PolarHBondContact O-N 3.21Å; A120-R123 PolarHBondContact O-N 3.07Å; A120-A124 WeakPolarHBondContact O-CB 3.39Å; A120-A124 PolarHBondContact O-N 2.97Å; A120-V135 HydrophobicContact CB-CG1 3.8Å; A120-L139 HydrophobicContact CB-CD2 4.18Å
121	L	71.7	Confident	71.8	Confident	44 Å²	44	66 Å²	66	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-41.7	176.9	-173.7	63.3	0	0	0	112.9	L117 Q118 R123 A124 S125 V135	L117-L121 WeakPolarHBondContact O-CB 2.94Å; L117-L121 PolarHBondContact O-N 2.83Å; Q118-L121 WeakPolarHBondContact O-CB 3.38Å; Q118-L121 PolarHBondContact O-N 3.18Å; Q118-L121 VanDerWaalsContact O-N 3.15Å; L121-R123 VanDerWaalsContact C-N 3.34Å; L121-R123 PolarHBondContact O-N 3.26Å; L121-A124 PolarHBondContact O-N 2.72Å; L121-S125 WeakPolarHBondContact O-CB 3.33Å; L121-S125 PolarHBondContact O-N 3.5Å; L121-S125 PolarHBondContact O-OG 3.11Å; L121-V135 HydrophobicContact CD1-CG2 4.16Å
122	D	75.1	Confident	69.9	Low	78 Å²	78	69 Å²	69	42%	0.417	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-41	176	-60.1	-23.2	0	0	0	111.3	Q118 S126	Q118-D122 PolarHBondContact NE2-OD1 2.75Å; Q118-D122 PolarHBondContact O-N 3.43Å; D122-S126 PolarHBondContact O-N 3.16Å; D122-S126 VanDerWaalsContact O-N 3.13Å; D122-S126 PolarHBondContact O-OG 2.78Å
123	R	71.3	Confident	68.4	Low	89 Å²	89	72.3 Å²	72.3	34%	0.336	38%	0.375	S	S	.	.	H	α-helix	trans	-69.8	-44.2	175.5	-70.3	-176.1	-47.9	-129.8	5.8	112.7	R119 A120 L121 S125 S126 Q127 E143	R119-R123 VanDerWaalsContact O-CG 3.31Å; R119-R123 WeakPolarHBondContact O-CG 3.44Å; R119-R123 PolarHBondContact O-N 3.35Å; R119-R123 VanDerWaalsContact O-N 3.13Å; A120-R123 PolarHBondContact O-N 3.07Å; L121-R123 VanDerWaalsContact C-N 3.34Å; L121-R123 PolarHBondContact O-N 3.26Å; R123-S125 VanDerWaalsContact C-N 3.31Å; R123-S125 PolarHBondContact O-N 2.98Å; R123-S126 CarbonylContact O-C 3.52Å; R123-S126 WeakPolarHBondContact O-CA 3.48Å; R123-S126 WeakPolarHBondContact O-CB 3.32Å; R123-S126 PolarHBondContact O-N 3.36Å; R123-S126 VanDerWaalsContact O-N 3.08Å; R123-Q127 WeakPolarHBondContact O-CG 3.32Å; R123-Q127 PolarHBondContact O-N 2.83Å; R123-Q127 VanDerWaalsContact O-N 3.17Å; R123-E143 IonicContact CZ-OE1 3.56Å; R123-E143 IonicContact CZ-OE2 3.36Å; R123-E143 IonicContact NH1-OE1 2.79Å; R123-E143 PolarHBondContact NH1-OE1 3.37Å; R123-E143 IonicContact NH1-OE2 2.69Å; R123-E143 VanDerWaalsContact NH2-CD 3.33Å; R123-E143 IonicContact NH2-OE1 3.2Å; R123-E143 PolarHBondContact NH2-OE1 2.99Å; R123-E143 VanDerWaalsContact NH2-OE1 3.13Å; R123-E143 IonicContact NH2-OE2 3.13Å; R123-E143 PolarHBondContact NH2-OE2 3.17Å
124	A	63.7	Low	66.8	Low	5 Å²	5	74.5 Å²	74.5	4%	0.041	39%	0.387	C	S	.	.	H	α-helix	trans	-61.1	-41.7	177.6	0	0	0	0	0	111.4	A120 L121 S126 Q127 G128 F129 V135	A120-A124 WeakPolarHBondContact O-CB 3.39Å; A120-A124 PolarHBondContact O-N 2.97Å; L121-A124 PolarHBondContact O-N 2.72Å; A124-S126 VanDerWaalsContact C-N 3.28Å; A124-S126 PolarHBondContact O-N 2.97Å; A124-Q127 CarbonylContact O-C 3.57Å; A124-Q127 PolarHBondContact O-N 3.04Å; A124-G128 PolarHBondContact O-N 3.23Å; A124-G128 VanDerWaalsContact O-N 3.11Å; A124-F129 HydrophobicContact CB-CB 4.34Å; A124-F129 PolarHBondContact O-N 3.47Å; A124-V135 HydrophobicContact CB-CG2 3.84Å
125	S	64.3	Low	65.3	Low	80 Å²	80	74.5 Å²	74.5	56%	0.559	39%	0.386	S	S	*	.	H	α-helix	trans	-60.9	-36.7	173	-56.3	0	0	0	0	112.2	L121 R123 Q127	L121-S125 WeakPolarHBondContact O-CB 3.33Å; L121-S125 PolarHBondContact O-N 3.5Å; L121-S125 PolarHBondContact O-OG 3.11Å; R123-S125 VanDerWaalsContact C-N 3.31Å; R123-S125 PolarHBondContact O-N 2.98Å; S125-Q127 PolarHBondContact O-N 2.9Å
126	S	63.4	Low	63.5	Low	104 Å²	104	70.3 Å²	70.3	73%	0.727	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.7	175.3	-55.3	0	0	0	0	114	D122 R123 A124	D122-S126 PolarHBondContact O-N 3.16Å; D122-S126 VanDerWaalsContact O-N 3.13Å; D122-S126 PolarHBondContact O-OG 2.78Å; R123-S126 CarbonylContact O-C 3.52Å; R123-S126 WeakPolarHBondContact O-CA 3.48Å; R123-S126 WeakPolarHBondContact O-CB 3.32Å; R123-S126 PolarHBondContact O-N 3.36Å; R123-S126 VanDerWaalsContact O-N 3.08Å; A124-S126 VanDerWaalsContact C-N 3.28Å; A124-S126 PolarHBondContact O-N 2.97Å
127	Q	58.4	Low	62.1	Low	138 Å²	138	76.6 Å²	76.6	65%	0.645	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-0.7	-179.1	-69.1	-179.7	-7.7	0	0	113.4	R123 A124 S125 F129	R123-Q127 WeakPolarHBondContact O-CG 3.32Å; R123-Q127 PolarHBondContact O-N 2.83Å; R123-Q127 VanDerWaalsContact O-N 3.17Å; A124-Q127 CarbonylContact O-C 3.57Å; A124-Q127 PolarHBondContact O-N 3.04Å; S125-Q127 PolarHBondContact O-N 2.9Å; Q127-F129 HydrophobicContact CB-CD2 3.81Å; Q127-F129 HydrophobicContact CB-CE2 3.88Å
128	G	56.6	Low	60.6	Low	60 Å²	60	78.2 Å²	78.2	62%	0.619	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	14.2	175.2	0	0	0	0	0	115.7	A124	A124-G128 PolarHBondContact O-N 3.23Å; A124-G128 VanDerWaalsContact O-N 3.11Å
129	F	50.9	Low	59.3	Low	114 Å²	114	76 Å²	76	50%	0.5	41%	0.414	S	S	.	.			trans	-79.8	141.2	173.1	-66.4	-83.5	0	0	0	111	A124 Q127 D134	A124-F129 HydrophobicContact CB-CB 4.34Å; A124-F129 PolarHBondContact O-N 3.47Å; Q127-F129 HydrophobicContact CB-CD2 3.81Å; Q127-F129 HydrophobicContact CB-CE2 3.88Å; F129-D134 HydrophobicContact CB-CB 4.2Å; F129-D134 HydrophobicContact CD1-CB 3.98Å; F129-D134 HydrophobicContact CG-CB 4.37Å
130	V	53.7	Low	58.3	Low	138 Å²	138	72 Å²	72	84%	0.836	41%	0.406	S	S	*	.			trans	-119.2	-11.7	-165.3	-170.1	0	0	0	0	113.1
131	T	53.1	Low	57.4	Low	72 Å²	72	78.3 Å²	78.3	44%	0.442	44%	0.439	S	S	.	.	S	Bend	trans	-117.6	146.4	-179.6	90.4	0	0	0	0	113.1	K133 D134	T131-K133 PolarHBondContact O-N 3.28Å; T131-K133 VanDerWaalsContact O-N 3.17Å; T131-K133 PolarHBondContact OG1-N 3.25Å; T131-D134 WeakPolarHBondContact CA-OD2 3.36Å; T131-D134 VanDerWaalsContact CB-OD2 3.31Å; T131-D134 WeakPolarHBondContact CB-OD2 3.42Å; T131-D134 PolarHBondContact N-OD2 3.46Å; T131-D134 VanDerWaalsContact N-OD2 3.08Å; T131-D134 WeakPolarHBondContact O-CB 3.36Å; T131-D134 PolarHBondContact O-N 3.42Å; T131-D134 VanDerWaalsContact O-N 3.17Å; T131-D134 PolarHBondContact OG1-OD1 3.38Å; T131-D134 PolarHBondContact OG1-OD2 3.48Å
132	F	48.1	Very low	56.6	Low	89 Å²	89	82.9 Å²	82.9	39%	0.39	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-22.7	178.1	-169.4	-98.7	0	0	0	113.4	E94 C98 V135 A136	E94-F132 WeakPolarHBondContact O-CE2 3.26Å; E94-F132 WeakPolarHBondContact O-CZ 3.36Å; C98-F132 HydrophobicContact CB-CE1 4.21Å; C98-F132 HydrophobicContact CB-CZ 3.78Å; F132-V135 PolarHBondContact O-N 3.07Å; F132-A136 PolarHBondContact O-N 3.21Å
133	K	51.1	Low	55.9	Low	92 Å²	92	80.2 Å²	80.2	40%	0.4	44%	0.444	S	S	.	.	H	α-helix	trans	-68.1	-40.9	177.1	-167.5	-178.9	174.4	-177.3	0	111.2	T131 V135 A136 E137	T131-K133 PolarHBondContact O-N 3.28Å; T131-K133 VanDerWaalsContact O-N 3.17Å; T131-K133 PolarHBondContact OG1-N 3.25Å; K133-V135 VanDerWaalsContact C-N 3.27Å; K133-V135 PolarHBondContact O-N 3.44Å; K133-A136 PolarHBondContact O-N 3.02Å; K133-E137 PolarHBondContact O-N 3.15Å
134	D	50.2	Low	55.4	Low	57 Å²	57	82.1 Å²	82.1	31%	0.305	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-35.6	177.6	-43.1	-47.2	0	0	0	111	F129 T131 A136 E137 S138	F129-D134 HydrophobicContact CB-CB 4.2Å; F129-D134 HydrophobicContact CD1-CB 3.98Å; F129-D134 HydrophobicContact CG-CB 4.37Å; T131-D134 WeakPolarHBondContact CA-OD2 3.36Å; T131-D134 VanDerWaalsContact CB-OD2 3.31Å; T131-D134 WeakPolarHBondContact CB-OD2 3.42Å; T131-D134 PolarHBondContact N-OD2 3.46Å; T131-D134 VanDerWaalsContact N-OD2 3.08Å; T131-D134 WeakPolarHBondContact O-CB 3.36Å; T131-D134 PolarHBondContact O-N 3.42Å; T131-D134 VanDerWaalsContact O-N 3.17Å; T131-D134 PolarHBondContact OG1-OD1 3.38Å; T131-D134 PolarHBondContact OG1-OD2 3.48Å; D134-A136 PolarHBondContact O-N 3.18Å; D134-E137 PolarHBondContact O-N 3.2Å; D134-S138 PolarHBondContact O-N 2.96Å
135	V	53.2	Low	55.3	Low	10 Å²	10	87.6 Å²	87.6	6%	0.061	48%	0.476	C	S	.	.	H	α-helix	trans	-64.5	-38.5	177.9	-172.2	0	0	0	0	111.7	A120 L121 A124 F132 K133 E137 S138	A120-V135 HydrophobicContact CB-CG1 3.8Å; L121-V135 HydrophobicContact CD1-CG2 4.16Å; A124-V135 HydrophobicContact CB-CG2 3.84Å; F132-V135 PolarHBondContact O-N 3.07Å; K133-V135 VanDerWaalsContact C-N 3.27Å; K133-V135 PolarHBondContact O-N 3.44Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 3.06Å; V135-S138 PolarHBondContact O-N 3.27Å; V135-S138 VanDerWaalsContact O-N 3.15Å; V135-S138 PolarHBondContact O-OG 3.02Å
136	A	49.5	Very low	55.2	Low	54 Å²	54	88.5 Å²	88.5	45%	0.446	47%	0.471	S	S	.	.	H	α-helix	trans	-67.5	-31.7	179.3	0	0	0	0	0	113	F132 K133 D134 S138	F132-A136 PolarHBondContact O-N 3.21Å; K133-A136 PolarHBondContact O-N 3.02Å; D134-A136 PolarHBondContact O-N 3.18Å; A136-S138 VanDerWaalsContact C-N 3.31Å
137	E	50.4	Low	54.9	Low	152 Å²	152	84.5 Å²	84.5	71%	0.71	44%	0.442	S	S	*	.	H	α-helix	trans	-80.1	-11.7	174.7	-64.3	-178.5	-166.4	0	0	112.6	K133 D134 V135	K133-E137 PolarHBondContact O-N 3.15Å; D134-E137 PolarHBondContact O-N 3.2Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 3.06Å
138	S	49.7	Very low	54.8	Low	49 Å²	49	80.1 Å²	80.1	34%	0.343	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-4	-178.3	80.4	0	0	0	0	116.2	D134 V135 A136	D134-S138 PolarHBondContact O-N 2.96Å; V135-S138 PolarHBondContact O-N 3.27Å; V135-S138 VanDerWaalsContact O-N 3.15Å; V135-S138 PolarHBondContact O-OG 3.02Å; A136-S138 VanDerWaalsContact C-N 3.31Å
139	L	55.2	Low	54.9	Low	22 Å²	22	79.7 Å²	79.7	12%	0.115	42%	0.42	C	S	.	.			trans	-69.4	127.3	178.6	-74.8	167.3	0	0	0	110.8	I116 A120 E143 W144 L147	I116-L139 HydrophobicContact CG2-CD2 4.22Å; A120-L139 HydrophobicContact CB-CD2 4.18Å; L139-E143 HydrophobicContact CD2-CB 4.2Å; L139-W144 HydrophobicContact CD1-CZ2 4.05Å; L139-L147 HydrophobicContact CD1-CD1 4.26Å
140	T	61	Low	55	Low	65 Å²	65	76.1 Å²	76.1	40%	0.399	41%	0.411	S	S	.	.			trans	-70.5	161.8	178.6	75.3	0	0	0	0	111.6	E142 E143 W144	T140-E142 PolarHBondContact O-N 3.45Å; T140-E143 PolarHBondContact N-OE2 3.22Å; T140-E143 PolarHBondContact O-N 3.42Å; T140-E143 WeakPolarHBondContact OG1-CG 3.49Å; T140-E143 PolarHBondContact OG1-N 3.33Å; T140-W144 PolarHBondContact O-N 2.82Å
141	L	54.2	Low	54.6	Low	133 Å²	133	79.9 Å²	79.9	70%	0.696	41%	0.41	S	S	*	.	H	α-helix	trans	-57.3	-40.2	174.6	-171.8	68.3	0	0	0	111.4	E143 W144 E145	L141-E143 VanDerWaalsContact C-N 3.3Å; L141-E143 PolarHBondContact O-N 3Å; L141-W144 PolarHBondContact O-N 3.44Å; L141-E145 WeakPolarHBondContact O-CB 3.3Å; L141-E145 WeakPolarHBondContact O-CG 3.27Å; L141-E145 PolarHBondContact O-N 3.07Å
142	E	55.8	Low	54.6	Low	140 Å²	140	84.7 Å²	84.7	65%	0.654	43%	0.425	S	S	*	.	H	α-helix	trans	-64.6	-31.1	175.6	-60.2	-178.4	149.7	0	0	112.9	T140 Q146	T140-E142 PolarHBondContact O-N 3.45Å; E142-Q146 WeakPolarHBondContact O-CB 3.1Å; E142-Q146 VanDerWaalsContact O-CG 3.23Å; E142-Q146 WeakPolarHBondContact O-CG 3.47Å; E142-Q146 PolarHBondContact O-N 3.49Å; E142-Q146 PolarHBondContact O-NE2 2.95Å; E142-Q146 VanDerWaalsContact O-NE2 3.1Å
143	E	59.8	Low	54.5	Low	22 Å²	22	82.8 Å²	82.8	10%	0.103	43%	0.431	C	S	.	.	H	α-helix	trans	-76.8	-38.4	175.8	-72.4	179.2	143	0	0	111.4	R123 L139 T140 L141 E145 Q146 L147	R123-E143 IonicContact CZ-OE1 3.56Å; R123-E143 IonicContact CZ-OE2 3.36Å; R123-E143 IonicContact NH1-OE1 2.79Å; R123-E143 PolarHBondContact NH1-OE1 3.37Å; R123-E143 IonicContact NH1-OE2 2.69Å; R123-E143 VanDerWaalsContact NH2-CD 3.33Å; R123-E143 IonicContact NH2-OE1 3.2Å; R123-E143 PolarHBondContact NH2-OE1 2.99Å; R123-E143 VanDerWaalsContact NH2-OE1 3.13Å; R123-E143 IonicContact NH2-OE2 3.13Å; R123-E143 PolarHBondContact NH2-OE2 3.17Å; L139-E143 HydrophobicContact CD2-CB 4.2Å; T140-E143 PolarHBondContact N-OE2 3.22Å; T140-E143 PolarHBondContact O-N 3.42Å; T140-E143 WeakPolarHBondContact OG1-CG 3.49Å; T140-E143 PolarHBondContact OG1-N 3.33Å; L141-E143 VanDerWaalsContact C-N 3.3Å; L141-E143 PolarHBondContact O-N 3Å; E143-E145 VanDerWaalsContact C-N 3.32Å; E143-Q146 PolarHBondContact O-N 2.83Å; E143-L147 WeakPolarHBondContact O-CB 3.42Å; E143-L147 VanDerWaalsContact O-CG 3.24Å; E143-L147 WeakPolarHBondContact O-CG 3.42Å; E143-L147 PolarHBondContact O-N 3.12Å
144	W	61.6	Low	54.2	Low	128 Å²	128	85.2 Å²	85.2	49%	0.485	44%	0.442	S	S	.	.	H	α-helix	trans	-61.5	-39	167.9	-85.7	106.7	0	0	0	112.4	L139 T140 L141 L147 A148	L139-W144 HydrophobicContact CD1-CZ2 4.05Å; T140-W144 PolarHBondContact O-N 2.82Å; L141-W144 PolarHBondContact O-N 3.44Å; W144-L147 HydrophobicContact CE3-CD1 4.37Å; W144-L147 PolarHBondContact O-N 3.47Å; W144-A148 WeakPolarHBondContact O-CB 3.46Å; W144-A148 PolarHBondContact O-N 3.34Å
145	E	61.6	Low	53.7	Low	120 Å²	120	91.1 Å²	91.1	56%	0.561	47%	0.467	S	S	*	.	H	α-helix	trans	-68.2	-37.4	173.2	-75.1	-175.6	170.8	0	0	112.3	L141 E143 A148 A149	L141-E145 WeakPolarHBondContact O-CB 3.3Å; L141-E145 WeakPolarHBondContact O-CG 3.27Å; L141-E145 PolarHBondContact O-N 3.07Å; E143-E145 VanDerWaalsContact C-N 3.32Å; E145-A148 CarbonylContact O-C 3.53Å; E145-A148 PolarHBondContact O-N 2.78Å; E145-A149 WeakPolarHBondContact O-CB 3.47Å; E145-A149 PolarHBondContact O-N 3.17Å
146	Q	61.2	Low	53	Low	99 Å²	99	99.3 Å²	99.3	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-65.5	-40.1	172.4	-78.5	167.1	66.7	0	0	112.5	E142 E143 A149 A150	E142-Q146 WeakPolarHBondContact O-CB 3.1Å; E142-Q146 VanDerWaalsContact O-CG 3.23Å; E142-Q146 WeakPolarHBondContact O-CG 3.47Å; E142-Q146 PolarHBondContact O-N 3.49Å; E142-Q146 PolarHBondContact O-NE2 2.95Å; E142-Q146 VanDerWaalsContact O-NE2 3.1Å; E143-Q146 PolarHBondContact O-N 2.83Å; Q146-A149 PolarHBondContact O-N 2.82Å; Q146-A150 PolarHBondContact O-N 3.21Å
147	L	57.3	Low	52.2	Low	20 Å²	20	104.4 Å²	104.4	11%	0.105	52%	0.517	C	S	.	.	H	α-helix	trans	-62.7	-43.3	172.5	-70.3	166.5	0	0	0	111.1	L113 I116 L139 E143 W144 R151	L113-L147 HydrophobicContact CD2-CD2 3.47Å; L113-L147 VanDerWaalsContact CD2-CD2 3.47Å; I116-L147 HydrophobicContact CB-CD2 4.47Å; I116-L147 HydrophobicContact CD1-CD2 3.67Å; I116-L147 HydrophobicContact CD1-CG 4.17Å; I116-L147 HydrophobicContact CG2-CD1 4.49Å; I116-L147 HydrophobicContact CG2-CD2 4.24Å; I116-L147 HydrophobicContact CG2-CG 4.41Å; L139-L147 HydrophobicContact CD1-CD1 4.26Å; E143-L147 WeakPolarHBondContact O-CB 3.42Å; E143-L147 VanDerWaalsContact O-CG 3.24Å; E143-L147 WeakPolarHBondContact O-CG 3.42Å; E143-L147 PolarHBondContact O-N 3.12Å; W144-L147 HydrophobicContact CE3-CD1 4.37Å; W144-L147 PolarHBondContact O-N 3.47Å; L147-R151 PolarHBondContact O-N 2.83Å
148	A	57.4	Low	51.4	Low	46 Å²	46	102.7 Å²	102.7	38%	0.38	52%	0.521	S	S	.	.	H	α-helix	trans	-69.8	-29.9	175.2	0	0	0	0	0	113.4	W144 E145 K152	W144-A148 WeakPolarHBondContact O-CB 3.46Å; W144-A148 PolarHBondContact O-N 3.34Å; E145-A148 CarbonylContact O-C 3.53Å; E145-A148 PolarHBondContact O-N 2.78Å; A148-K152 WeakPolarHBondContact O-CG 3.39Å; A148-K152 PolarHBondContact O-N 3.09Å
149	A	57.2	Low	50.6	Low	52 Å²	52	105.3 Å²	105.3	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-74.9	-39.4	176.7	0	0	0	0	0	111.7	E145 Q146 R151 K152 G153	E145-A149 WeakPolarHBondContact O-CB 3.47Å; E145-A149 PolarHBondContact O-N 3.17Å; Q146-A149 PolarHBondContact O-N 2.82Å; A149-R151 VanDerWaalsContact C-N 3.26Å; A149-R151 PolarHBondContact O-N 3.07Å; A149-K152 CarbonylContact O-C 3.49Å; A149-K152 PolarHBondContact O-N 3.41Å; A149-G153 WeakPolarHBondContact O-CA 3.27Å; A149-G153 PolarHBondContact O-N 3.35Å
150	A	52.9	Low	49.7	Very low	38 Å²	38	113.4 Å²	113.4	31%	0.314	57%	0.57	S	S	.	*	H	α-helix	trans	-54.2	-45.5	172.5	0	0	0	0	0	111.1	Q146 K152 G153	Q146-A150 PolarHBondContact O-N 3.21Å; A150-K152 VanDerWaalsContact C-N 3.28Å; A150-K152 PolarHBondContact O-N 3.46Å; A150-G153 PolarHBondContact O-N 3.25Å
151	R	47.3	Very low	48.4	Very low	217 Å²	217	117.9 Å²	117.9	82%	0.819	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	175.6	-173.3	175.8	175.3	-165.8	-0.7	114.6	L147 A149	L147-R151 PolarHBondContact O-N 2.83Å; A149-R151 VanDerWaalsContact C-N 3.26Å; A149-R151 PolarHBondContact O-N 3.07Å
152	K	51.3	Low	47.4	Very low	174 Å²	174	117 Å²	117	76%	0.757	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-16.8	177.3	-71.6	175	179.4	176.4	0	113.6	A148 A149 A150 F154	A148-K152 WeakPolarHBondContact O-CG 3.39Å; A148-K152 PolarHBondContact O-N 3.09Å; A149-K152 CarbonylContact O-C 3.49Å; A149-K152 PolarHBondContact O-N 3.41Å; A150-K152 VanDerWaalsContact C-N 3.28Å; A150-K152 PolarHBondContact O-N 3.46Å; K152-F154 PolarHBondContact O-N 2.83Å
153	G	46.6	Very low	46.5	Very low	49 Å²	49	114.3 Å²	114.3	51%	0.505	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	-18.9	-157.9	0	0	0	0	0	116.9	A149 A150	A149-G153 WeakPolarHBondContact O-CA 3.27Å; A149-G153 PolarHBondContact O-N 3.35Å; A150-G153 PolarHBondContact O-N 3.25Å
154	F	44.2	Very low	45	Very low	142 Å²	142	118.9 Å²	118.9	62%	0.623	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-7.7	-165.9	-90.9	-83.6	0	0	0	116.9	K152 K156	K152-F154 PolarHBondContact O-N 2.83Å; F154-K156 PolarHBondContact O-N 2.85Å; F154-K156 VanDerWaalsContact O-N 3.14Å
155	H	41.1	Very low	43.4	Very low	181 Å²	181	119.2 Å²	119.2	84%	0.838	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	12	-175.2	-140	-48	0	0	0	115.2
156	K	37.2	Very low	41.8	Very low	182 Å²	182	119.1 Å²	119.1	79%	0.791	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	-11.8	-178.1	-88.5	-174.1	174.4	178.6	0	116.6	F154	F154-K156 PolarHBondContact O-N 2.85Å; F154-K156 VanDerWaalsContact O-N 3.14Å
157	E	33.6	Very low	40.2	Very low	162 Å²	162	122.4 Å²	122.4	76%	0.757	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-10.4	-174.9	-154.9	110.6	-108.5	0	0	113.5
158	S	34.1	Very low	39.2	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	1.3	179.9	-168.2	0	0	0	0	114.8
159	T	32.9	Very low	37.6	Very low	105 Å²	105	128.2 Å²	128.2	64%	0.644	73%	0.732	S	S	*	*			trans	-122.3	61.8	-177.9	57.7	0	0	0	0	111.4
160	K	35.4	Very low	36.1	Very low	192 Å²	192	134.4 Å²	134.4	84%	0.835	76%	0.757	S	S	*	*	S	Bend	trans	-130.8	22.7	173.6	-95.2	-170.5	178.6	177.2	0	114.3
161	D	34.7	Very low	34.7	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	78%	0.782	S	S	*	*	S	Bend	trans	-149	70.3	159.6	-155.7	5.2	0	0	0	113
162	S	33.1	Very low	33.7	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	78%	0.782	S	S	*	*			trans	178	124.5	156	24.6	0	0	0	0	108.5
163	G	35.3	Very low	32.4	Very low	84 Å²	84	140.3 Å²	140.3	87%	0.866	79%	0.789	S	S	*	*			trans	-93	126.5	-178.4	0	0	0	0	0	112.7
164	S	29.5	Very low	31.5	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	80%	0.799	S	S	*	*			trans	-155.7	159.4	149.1	-159.7	0	0	0	0	112
165	T	27.7	Very low	30.6	Very low	134 Å²	134	140.5 Å²	140.5	82%	0.822	81%	0.805	S	S	*	*			trans	-59	141.9	-168.2	-54.3	0	0	0	0	115.1
166	V	28.4	Very low	30	Very low	118 Å²	118	139.6 Å²	139.6	72%	0.715	81%	0.806	S	S	*	*			trans	-92.2	135.9	167.8	172.2	0	0	0	0	110.6
167	L	26.6	Very low	29.5	Very low	168 Å²	168	140.2 Å²	140.2	88%	0.88	81%	0.809	S	S	*	*			trans	-139.6	149.4	136	-83.2	-172.1	0	0	0	110.2
168	P	37.2	Very low	29.2	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	81%	0.811	S	S	*	*			trans	-104.5	169.2	-164.8	40.4	-35.7	0	0	0	114.2
169	G	23.4	Very low	28.8	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	82%	0.815	S	S	*	*			trans	-175.4	87	171.3	0	0	0	0	0	116.3
170	L	25.1	Very low	28.4	Very low	182 Å²	182	141.8 Å²	141.8	95%	0.953	82%	0.823	S	S	*	*			trans	127.6	108.7	149.9	-71.9	165.5	0	0	0	114.7
171	E	24.7	Very low	28.1	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	82%	0.817	S	S	*	*			trans	-99.1	157.8	168.7	-70.4	-167.7	116.3	0	0	111.7
172	T	26.1	Very low	27.7	Very low	135 Å²	135	139.9 Å²	139.9	83%	0.828	82%	0.819	S	S	*	*			trans	58.9	125.3	160.7	60.1	0	0	0	0	120
173	R	23.4	Very low	27.4	Very low	239 Å²	239	141.3 Å²	141.3	90%	0.902	81%	0.812	S	S	*	*				-141.9	122	110	-168.7	168.8	-176.3	162.4	2.1	110.3
174	A	27.5	Very low	26.8	Very low	87 Å²	87	146.6 Å²	146.6	72%	0.719	82%	0.815	S	S	*	*			trans	-90.5	150.1	172.3	0	0	0	0	0	110.7
175	S	25	Very low	26.6	Very low	108 Å²	108	146.7 Å²	146.7	76%	0.755	81%	0.81	S	S	*	*			trans	-154.1	87.4	161.6	-82.8	0	0	0	0	109.7
176	N	28.3	Very low	26.4	Very low	161 Å²	161	147 Å²	147	86%	0.861	81%	0.807	S	S	*	*			trans	-81.5	132.1	152.5	-84.3	4.7	0	0	0	107.7
177	K	28.1	Very low	26.1	Very low	196 Å²	196	151 Å²	151	85%	0.852	81%	0.814	S	S	*	*			trans	-146.4	99.8	154.2	-79.4	-153.2	172.2	-168.5	0	110
178	D	27.2	Very low	26	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	81%	0.811	S	S	*	*			trans	13	125	144.9	-36.4	-60.9	0	0	0	118.8
179	C	24.3	Very low	25.3	Very low	133 Å²	133	150.3 Å²	150.3	90%	0.899	81%	0.813	S	S	*	*			trans	-154.7	110.9	143.8	-99.4	0	0	0	0	110.2
180	V	24.9	Very low	25.3	Very low	134 Å²	134	155.8 Å²	155.8	81%	0.812	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-102.5	122.7	172.8	175.8	0	0	0	0	109.1
181	P	29.8	Very low	25.7	Very low	107 Å²	107	151.7 Å²	151.7	70%	0.695	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79.2	126.5	174.1	-12.3	28.7	0	0	0	111.9
182	K	25.3	Very low	25.7	Very low	205 Å²	205	151.8 Å²	151.8	89%	0.891	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.6	156.4	164.7	-74.7	-176.4	174	-177.7	0	110.9
183	Q	26.7	Very low	25.5	Very low	143 Å²	143	151.1 Å²	151.1	67%	0.668	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-100.2	144.9	171.4	-74.2	162.8	-107	0	0	110.8
184	E	23.9	Very low	25.4	Very low	195 Å²	195	151.4 Å²	151.4	91%	0.911	80%	0.802	S	S	*	*			trans	-129.3	167.6	155.3	-70.4	-169.8	151.3	0	0	108.6
185	T	25.3	Very low	25.2	Very low	120 Å²	120	153.6 Å²	153.6	74%	0.736	80%	0.8	S	S	*	*			trans	-128.9	157.5	-149.3	46.5	0	0	0	0	116
186	L	23.4	Very low	25.1	Very low	142 Å²	142	157.1 Å²	157.1	74%	0.743	81%	0.805	S	S	*	*			trans	62.4	120.5	153.6	-80	158.8	0	0	0	119.7
187	K	22.3	Very low	24.9	Very low	200 Å²	200	158 Å²	158	87%	0.87	80%	0.803	S	S	*	*				-164	162.5	99.7	-103.3	167	-174.2	178.9	0	113.2
188	E	23.4	Very low	24.7	Very low	173 Å²	173	154.6 Å²	154.6	81%	0.808	80%	0.799	S	S	*	*			trans	-88.4	150.6	-173.3	-56.1	138.2	114.9	0	0	112.8
189	A	22.5	Very low	24.6	Very low	101 Å²	101	152.1 Å²	152.1	84%	0.835	79%	0.793	S	S	*	*			trans	-165.1	111.9	149.4	0	0	0	0	0	111.9
190	E	23.1	Very low	24.5	Very low	184 Å²	184	154.9 Å²	154.9	86%	0.86	79%	0.793	S	S	*	*			trans	-116.3	170.3	149.7	-112	-160.5	-138.5	0	0	106.5
191	P	34.8	Very low	24.5	Very low	96 Å²	96	152 Å²	152	62%	0.623	79%	0.79	S	S	*	*			cis	-139.9	179.7	21.4	31.8	-7.8	0	0	0	115.9
192	Q	24	Very low	24.3	Very low	181 Å²	181	157.1 Å²	157.1	85%	0.846	80%	0.802	S	S	*	*				157.5	154.2	116.6	-77.8	-137.5	-21	0	0	114.6
193	V	23.1	Very low	24.2	Very low	121 Å²	121	154 Å²	154	73%	0.733	80%	0.799	S	S	*	*			trans	-107.6	145.7	-168.7	171.1	0	0	0	0	111	I195	V193-I195 HydrophobicContact CG1-CG1 4.34Å
194	W	20.9	Very low	24.2	Very low	246 Å²	246	152.4 Å²	152.4	93%	0.932	80%	0.802	S	S	*	*			trans	-146.5	135.4	141.8	-139.3	-42	0	0	0	111.7
195	I	23	Very low	24.4	Very low	133 Å²	133	150.8 Å²	150.8	68%	0.682	80%	0.798	S	S	*	*			trans	-103.7	137.7	172.3	-60.8	163.9	0	0	0	109.1	V193	V193-I195 HydrophobicContact CG1-CG1 4.34Å
196	Q	23.1	Very low	24.3	Very low	182 Å²	182	154 Å²	154	85%	0.85	80%	0.802	S	S	*	*			trans	-153.9	137.2	149.9	-127.1	168	-1.9	0	0	113.7
197	E	23.9	Very low	24.4	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	80%	0.799	S	S	*	*			trans	-94	-158.4	169.6	-59.7	-174.4	103.7	0	0	111
198	V	22.8	Very low	24.7	Very low	125 Å²	125	153 Å²	153	76%	0.758	80%	0.802	S	S	*	*			trans	88.4	98.6	-174.7	-174.1	0	0	0	0	112
199	S	25.8	Very low	24.8	Very low	96 Å²	96	151.1 Å²	151.1	67%	0.671	81%	0.806	S	S	*	*			cis	90.8	155.6	37	92.9	0	0	0	0	115.2
200	Q	23.5	Very low	24.8	Very low	190 Å²	190	149.2 Å²	149.2	89%	0.888	80%	0.796	S	S	*	*			trans	84.5	144.3	-179.4	-47.8	-180	34.4	0	0	117.5
201	G	23.3	Very low	24.9	Very low	74 Å²	74	148.4 Å²	148.4	76%	0.763	80%	0.798	S	S	*	*			trans	143.9	83.9	171.9	0	0	0	0	0	115.8
202	K	25.4	Very low	24.4	Very low	215 Å²	215	148.2 Å²	148.2	94%	0.935	80%	0.804	S	S	*	*			trans	-71.4	144.6	177.6	-65.4	167.3	177.8	169.5	0	112.6
203	V	23.7	Very low	24.4	Very low	139 Å²	139	147.5 Å²	147.5	84%	0.842	81%	0.806	S	S	*	*			trans	-135.6	142.2	165	-172.5	0	0	0	0	108.3
204	P	27.4	Very low	24.6	Very low	110 Å²	110	150.8 Å²	150.8	71%	0.714	81%	0.813	S	S	*	*			trans	-100.5	172.5	-149.1	38.4	-38.3	0	0	0	117.8
205	L	27.8	Very low	24.8	Very low	161 Å²	161	146 Å²	146	84%	0.843	81%	0.806	S	S	*	*			trans	-84.7	120.3	171.9	-80	159	0	0	0	113
206	F	23.4	Very low	24.8	Very low	186 Å²	186	149.5 Å²	149.5	82%	0.816	81%	0.81	S	S	*	*			trans	-148.2	127.1	150.7	-74.9	-86.1	0	0	0	105.9
207	T	25.9	Very low	24.9	Very low	112 Å²	112	146 Å²	146	69%	0.687	79%	0.794	S	S	*	*			cis	79.8	100.1	40.8	72.9	0	0	0	0	116.2
208	K	28.7	Very low	25	Very low	210 Å²	210	147.2 Å²	147.2	91%	0.913	80%	0.799	S	S	*	*			trans	67.8	119.5	156.6	-63.8	-177.1	176	-179.3	0	120.4
209	C	23.9	Very low	25.2	Very low	134 Å²	134	148.1 Å²	148.1	91%	0.905	79%	0.793	S	S	*	*				-156.1	161.3	111	-121.4	0	0	0	0	108.8
210	G	24.2	Very low	25.1	Very low	61 Å²	61	152.2 Å²	152.2	63%	0.629	81%	0.807	S	S	*	*			cis	132	90.7	-2.6	0	0	0	0	0	112.1
211	D	24.2	Very low	25.2	Very low	167 Å²	167	148.2 Å²	148.2	89%	0.893	80%	0.8	S	S	*	*			trans	-23.4	133.2	179.1	-43.5	-41	0	0	0	119
212	A	24.2	Very low	25.4	Very low	92 Å²	92	153.2 Å²	153.2	76%	0.76	80%	0.801	S	S	*	*				173.6	122.2	125.9	0	0	0	0	0	113.7
213	L	23.9	Very low	25.3	Very low	166 Å²	166	151.2 Å²	151.2	87%	0.869	80%	0.8	S	S	*	*				-172.9	124.6	125.7	-128.4	70.4	0	0	0	111.7
214	E	27.9	Very low	25.3	Very low	190 Å²	190	150 Å²	150	89%	0.888	79%	0.793	S	S	*	*			trans	-133.4	160.4	156.5	-89.9	-170.7	157	0	0	106.9
215	D	25.4	Very low	25.1	Very low	146 Å²	146	151.5 Å²	151.5	78%	0.781	80%	0.8	S	S	*	*			trans	61	122.2	-170.7	-73.2	-20.6	0	0	0	116.3
216	W	22.1	Very low	24.8	Very low	206 Å²	206	149.6 Å²	149.6	78%	0.78	79%	0.79	S	S	*	*				-160.5	117.4	104.9	-115.6	70.3	0	0	0	111.3
217	E	25.5	Very low	24.8	Very low	107 Å²	107	148.9 Å²	148.9	50%	0.5	79%	0.794	S	S	.	*			trans	33.1	121.7	153.1	-54.1	-174.7	164.7	0	0	118.7	K219	E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 HydrophobicContact CB-CG 4.3Å; E217-K219 WeakPolarHBondContact OE2-CE 3.4Å; E217-K219 IonicContact OE2-NZ 3.42Å; E217-K219 PolarHBondContact OE2-NZ 3.29Å
218	E	27.1	Very low	24.6	Very low	204 Å²	204	150.9 Å²	150.9	95%	0.953	80%	0.795	S	S	*	*			cis	47.2	42.9	46.9	-149.8	179.1	-158.1	0	0	114.4
219	K	25.2	Very low	24.3	Very low	145 Å²	145	149.1 Å²	149.1	63%	0.63	80%	0.795	S	S	*	*			trans	-114.3	95.2	160.5	-90.6	-179.8	172.4	123.4	0	111.2	E217	E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 HydrophobicContact CB-CG 4.3Å; E217-K219 WeakPolarHBondContact OE2-CE 3.4Å; E217-K219 IonicContact OE2-NZ 3.42Å; E217-K219 PolarHBondContact OE2-NZ 3.29Å
220	L	24.7	Very low	24.2	Very low	181 Å²	181	150.5 Å²	150.5	95%	0.948	79%	0.788	S	S	*	*			trans	-177.1	98.2	141.7	-103.6	165.2	0	0	0	110.4
221	S	25.2	Very low	24.1	Very low	106 Å²	106	153 Å²	153	74%	0.741	80%	0.796	S	S	*	*			trans	-153.1	129.3	159.8	-163.2	0	0	0	0	109.6
222	K	27	Very low	24	Very low	180 Å²	180	150.6 Å²	150.6	78%	0.783	79%	0.792	S	S	*	*			trans	69.5	104.1	-178.7	-50	170.9	-172.1	176.8	0	114.5
223	D	24.5	Very low	24.6	Very low	172 Å²	172	151.3 Å²	151.3	92%	0.92	79%	0.789	S	S	*	*				-133	159.6	96	-108.7	-34.7	0	0	0	110.2
224	T	22.7	Very low	24.6	Very low	115 Å²	115	152.9 Å²	152.9	71%	0.706	79%	0.792	S	S	*	*			trans	-116	128.1	-170.6	-61.6	0	0	0	0	111
225	V	23.3	Very low	24.5	Very low	141 Å²	141	152 Å²	152	86%	0.855	79%	0.788	S	S	*	*			trans	-130.3	131.2	160.8	179.8	0	0	0	0	108.8
226	L	22.8	Very low	24.6	Very low	121 Å²	121	154.4 Å²	154.4	63%	0.634	80%	0.795	S	S	*	*			trans	-75	139.8	174.4	-71.3	80.1	0	0	0	110.3
227	L	23.5	Very low	24.6	Very low	171 Å²	171	148.6 Å²	148.6	90%	0.895	80%	0.798	S	S	*	*			trans	-136.2	115	132.2	-80.3	-176.5	0	0	0	109.2
228	Q	21.6	Very low	24.5	Very low	153 Å²	153	148.8 Å²	148.8	72%	0.715	81%	0.81	S	S	*	*			trans	-91.2	132.9	160.4	-66.1	174.6	-92.4	0	0	108
229	L	22.5	Very low	24.4	Very low	174 Å²	174	146 Å²	146	91%	0.911	81%	0.807	S	S	*	*			trans	-134.4	143.2	154.3	-87.9	171.2	0	0	0	108
230	Q	21.3	Very low	24.3	Very low	162 Å²	162	144.2 Å²	144.2	76%	0.757	81%	0.809	S	S	*	*			trans	-115.4	160.9	-172.3	-62.2	174.8	-97.6	0	0	110.5
231	S	21.9	Very low	24.2	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	80%	0.798	S	S	*	*			trans	65.4	149.4	154.2	37.3	0	0	0	0	118.3
232	S	21.2	Very low	24.3	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	80%	0.797	S	S	*	*			cis	-154.7	-149.6	-23.6	-141	0	0	0	0	109.3
233	P	37.5	Very low	24.2	Very low	108 Å²	108	141.1 Å²	141.1	70%	0.701	80%	0.795	S	S	*	*			trans	-96.8	173.8	-153.4	43.9	-38.4	0	0	0	114.2
234	E	24	Very low	24.3	Very low	198 Å²	198	138.9 Å²	138.9	93%	0.925	78%	0.782	S	S	*	*			trans	-153.4	170.4	131.9	-119.5	163.5	-143.8	0	0	110.8
235	E	25.3	Very low	24.4	Very low	173 Å²	173	141.1 Å²	141.1	81%	0.808	79%	0.788	S	S	*	*			trans	-109.3	-169	-159.4	-57.3	-170.4	129	0	0	114.7
236	Q	27.3	Very low	24.4	Very low	196 Å²	196	137.8 Å²	137.8	92%	0.916	78%	0.782	S	S	*	*			trans	86.9	136.5	165.7	-49.1	-179.5	24.3	0	0	115.8
237	G	24	Very low	24.5	Very low	83 Å²	83	138.6 Å²	138.6	86%	0.856	79%	0.792	S	S	*	*			cis	-146.4	158	2.4	0	0	0	0	0	113.2
238	C	21.5	Very low	24.7	Very low	111 Å²	111	136.2 Å²	136.2	75%	0.75	79%	0.787	S	S	*	*			trans	-108.6	143.6	177.8	-174.5	0	0	0	0	110.5
239	T	24.9	Very low	24.9	Very low	145 Å²	145	137.6 Å²	137.6	89%	0.89	79%	0.79	S	S	*	*			trans	-131.1	142.4	164.6	47.9	0	0	0	0	109.8
240	T	23.6	Very low	24.9	Very low	108 Å²	108	139 Å²	139	66%	0.663	79%	0.792	S	S	*	*			trans	-134.8	176.5	-150.5	-47.6	0	0	0	0	111.1
241	I	23.9	Very low	25	Very low	140 Å²	140	139.6 Å²	139.6	72%	0.718	80%	0.795	S	S	*	*			trans	85.4	115.9	167.6	-49.4	174.6	0	0	0	112.6
242	S	25.6	Very low	25.1	Very low	104 Å²	104	138 Å²	138	73%	0.727	80%	0.796	S	S	*	*			cis	92.8	171.2	26	-52.4	0	0	0	0	114.8
243	H	26	Very low	25.2	Very low	159 Å²	159	139 Å²	139	74%	0.736	80%	0.797	S	S	*	*			trans	90.7	138.1	176.4	-74.6	-134.5	0	0	0	116.4
244	L	26.6	Very low	24.4	Very low	125 Å²	125	138.7 Å²	138.7	65%	0.654	80%	0.798	S	S	*	*			cis	-146.9	140.7	-11.5	-91.8	163.5	0	0	0	107.7
245	I	24.4	Very low	24.5	Very low	162 Å²	162	139 Å²	139	83%	0.831	80%	0.796	S	S	*	*				57.9	131.4	84.2	-59.9	-172.7	0	0	0	115.9
246	G	22.4	Very low	24.4	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	80%	0.795	S	S	*	*			trans	-177.3	85.8	166.4	0	0	0	0	0	114.4
247	V	25.2	Very low	24.3	Very low	137 Å²	137	136.3 Å²	136.3	83%	0.83	79%	0.793	S	S	*	*			trans	-142.5	126.7	167.7	178.7	0	0	0	0	109.3
248	P	29	Very low	24.3	Very low	122 Å²	122	140.6 Å²	140.6	79%	0.792	79%	0.791	S	S	*	*			trans	-93.6	143.5	168.5	33.9	-29.2	0	0	0	112.3
249	K	24.4	Very low	24.4	Very low	182 Å²	182	144.9 Å²	144.9	79%	0.791	80%	0.797	S	S	*	*			trans	-100.4	155.3	154.4	-79.3	-177.5	168.4	-169.6	0	108.1
250	E	22.7	Very low	24.3	Very low	202 Å²	202	140.9 Å²	140.9	94%	0.944	79%	0.785	S	S	*	*			trans	-139.8	167.1	141.3	-75.3	-152.6	153.8	0	0	110.2
251	E	23.7	Very low	24.3	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.822	80%	0.796	S	S	*	*			trans	-114.8	149.5	-174.8	-57.7	-174.4	153.8	0	0	110.6
252	G	23.3	Very low	24.3	Very low	80 Å²	80	142.2 Å²	142.2	83%	0.825	80%	0.798	S	S	*	*			trans	-163.5	79.1	-168.4	0	0	0	0	0	116.6
253	V	23.1	Very low	24.3	Very low	137 Å²	137	142.5 Å²	142.5	83%	0.83	81%	0.807	S	S	*	*			trans	-12	127.8	162.4	177.3	0	0	0	0	118.9
254	S	22.3	Very low	24.1	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	80%	0.802	S	S	*	*			trans	30.2	130.6	146.7	-51.8	0	0	0	0	122.4
255	K	26.2	Very low	24.1	Very low	205 Å²	205	140.8 Å²	140.8	89%	0.891	82%	0.817	S	S	*	*				-165.6	160.9	113.2	-105.4	156.3	-170.6	173.3	0	113.9
256	N	22.2	Very low	24	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	81%	0.81	S	S	*	*			trans	-74.1	158.2	-179.5	-49.9	-11.4	0	0	0	111.4
257	N	25.6	Very low	24.2	Very low	164 Å²	164	140.8 Å²	140.8	88%	0.877	82%	0.816	S	S	*	*				-161.7	136.6	112.2	-103	-1.9	0	0	0	111.8
258	E	23.2	Very low	24.3	Very low	173 Å²	173	137.1 Å²	137.1	81%	0.808	81%	0.806	S	S	*	*			trans	-76.2	150.3	161.2	-58.8	164.8	110.6	0	0	109
259	F	23.8	Very low	24.3	Very low	201 Å²	201	139.5 Å²	139.5	88%	0.882	81%	0.807	S	S	*	*				-165.9	117.3	129.3	-118	-76.5	0	0	0	108.8
260	G	22.2	Very low	24.4	Very low	61 Å²	61	137.3 Å²	137.3	63%	0.629	80%	0.799	S	S	*	*			trans	-93.7	169.7	169.1	0	0	0	0	0	111.2
261	N	24.2	Very low	24.7	Very low	168 Å²	168	133.4 Å²	133.4	90%	0.898	78%	0.783	S	S	*	*			trans	-156.8	159	136.9	-112.9	-32.2	0	0	0	112.3
262	S	24.8	Very low	24.9	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	78%	0.779	S	S	*	*			trans	-125.4	142	-161.8	54.2	0	0	0	0	113.7
263	A	24.6	Very low	25	Very low	110 Å²	110	134.6 Å²	134.6	91%	0.909	78%	0.776	S	S	*	*			trans	-173.2	148.8	153.2	0	0	0	0	0	108.5
264	G	22.6	Very low	25.1	Very low	62 Å²	62	131.6 Å²	131.6	64%	0.639	77%	0.765	S	S	*	*			cis	159	151.8	-4.4	0	0	0	0	0	110.6
265	L	25.8	Very low	25.4	Very low	185 Å²	185	133.8 Å²	133.8	97%	0.969	76%	0.764	S	S	*	*			trans	70.2	141.7	-174.8	-44.4	171.4	0	0	0	113.1
266	G	23.1	Very low	25.5	Very low	65 Å²	65	133.1 Å²	133.1	67%	0.67	76%	0.756	S	S	*	*			cis	110.4	129.2	16.9	0	0	0	0	0	108.9
267	I	27.3	Very low	25.8	Very low	168 Å²	168	133.8 Å²	133.8	86%	0.862	76%	0.759	S	S	*	*			cis	-147.4	159.1	15.8	-57.6	104.7	0	0	0	106.9
268	G	25.3	Very low	25.8	Very low	61 Å²	61	131.1 Å²	131.1	63%	0.629	75%	0.753	S	S	*	*			cis	139.7	158.2	-1.1	0	0	0	0	0	112.4
269	Q	29.8	Very low	25.9	Very low	172 Å²	172	129.8 Å²	129.8	80%	0.804	76%	0.757	S	S	*	*			trans	67.4	155.3	170.9	-74.9	171.4	-9.6	0	0	118.3
270	H	27.5	Very low	26	Very low	136 Å²	136	127 Å²	127	63%	0.63	75%	0.751	S	S	*	*			cis	-149.9	143.1	7.4	-131.3	-62.8	0	0	0	112.8
271	I	27.6	Very low	26.2	Very low	119 Å²	119	127.6 Å²	127.6	61%	0.61	76%	0.757	S	S	*	*			trans	56.5	114.7	146.2	-86.6	176.5	0	0	0	119.9
272	Q	27.5	Very low	26.1	Very low	159 Å²	159	127.9 Å²	127.9	74%	0.743	75%	0.753	S	S	*	*				72.8	154.5	84.2	-74.6	175.2	0.3	0	0	114.1
273	T	26.4	Very low	26.1	Very low	122 Å²	122	133.5 Å²	133.5	75%	0.748	76%	0.759	S	S	*	*			cis	-148.8	135.8	12.5	2.5	0	0	0	0	108.1
274	A	25.2	Very low	26.2	Very low	74 Å²	74	136.9 Å²	136.9	61%	0.612	76%	0.756	S	S	*	*				98.8	125.4	80.9	0	0	0	0	0	115.7
275	E	28.3	Very low	26.3	Very low	149 Å²	149	140.4 Å²	140.4	70%	0.696	76%	0.76	S	S	*	*			trans	66.7	155.6	138.8	-64.2	-166.9	121.8	0	0	120.5
276	R	29.1	Very low	26.3	Very low	190 Å²	190	138.2 Å²	138.2	72%	0.717	75%	0.75	S	S	*	*			cis	-155	150.3	-0.8	-138.4	177.8	-123.7	168.4	10.4	111.2
277	L	27.9	Very low	26.6	Very low	162 Å²	162	142.4 Å²	142.4	85%	0.848	75%	0.752	S	S	*	*				153.5	125.4	126.5	-84.3	177.2	0	0	0	111.8
278	S	25.1	Very low	26.6	Very low	107 Å²	107	142.9 Å²	142.9	75%	0.748	75%	0.748	S	S	*	*			trans	-123.7	143.8	168.4	-52.4	0	0	0	0	109.2
279	T	26.7	Very low	26.8	Very low	145 Å²	145	147.8 Å²	147.8	89%	0.89	75%	0.754	S	S	*	*			trans	-140.2	150	150.2	43	0	0	0	0	108.7
280	N	25.7	Very low	26.5	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	75%	0.749	S	S	*	*			trans	-98.1	164.4	-160.3	-58.1	-7.4	0	0	0	112.9
281	G	25.1	Very low	26.3	Very low	73 Å²	73	145.5 Å²	145.5	75%	0.753	76%	0.759	S	S	*	*			trans	-166.5	91.8	170.1	0	0	0	0	0	109.4
282	E	22.6	Very low	26.1	Very low	175 Å²	175	148 Å²	148	82%	0.818	77%	0.768	S	S	*	*			trans	-91.5	136.8	-169.4	-62.3	165	138.6	0	0	111.9
283	Y	25.5	Very low	26.1	Very low	227 Å²	227	146.3 Å²	146.3	89%	0.89	77%	0.768	S	S	*	*			trans	-156.4	162.1	150.5	43.5	-93.8	0	0	0	110.1
284	E	25.7	Very low	26.1	Very low	181 Å²	181	148.7 Å²	148.7	85%	0.846	77%	0.768	S	S	*	*			trans	-88.6	168.9	-145.4	-65.1	-177.8	96.5	0	0	117.1
285	N	25.1	Very low	26	Very low	135 Å²	135	150.3 Å²	150.3	72%	0.722	77%	0.774	S	S	*	*			trans	-44.4	149.5	175.3	-54.3	-85.2	0	0	0	115.4
286	D	27	Very low	25.9	Very low	139 Å²	139	150.7 Å²	150.7	74%	0.743	78%	0.775	S	S	*	*				-139.6	144.4	117.3	-163	10.1	0	0	0	110.8
287	H	27.4	Very low	25.8	Very low	154 Å²	154	147.5 Å²	147.5	71%	0.713	78%	0.777	S	S	*	*			trans	-108.1	112.3	-167.5	-122.9	77.8	0	0	0	110.5
288	K	29.3	Very low	25.8	Very low	178 Å²	178	145.6 Å²	145.6	77%	0.774	77%	0.772	S	S	*	*			trans	-131.5	127.6	166.7	-69.2	-174.7	179.8	167.5	0	110.5	G290	K288-G290 PolarHBondContact O-N 2.97Å; K288-G290 VanDerWaalsContact O-N 3.07Å
289	Q	27.7	Very low	25.9	Very low	163 Å²	163	148.1 Å²	148.1	76%	0.762	77%	0.769	S	S	*	*			trans	-59.9	112.8	-168.4	-73.3	82.7	-6.5	0	0	112	F291	Q289-F291 PolarHBondContact O-N 3.18Å; Q289-F291 VanDerWaalsContact O-N 3.11Å
290	G	25.2	Very low	25.8	Very low	68 Å²	68	146.7 Å²	146.7	70%	0.701	76%	0.763	S	S	*	*			trans	-64.7	108.8	162	0	0	0	0	0	109.4	K288 H292	K288-G290 PolarHBondContact O-N 2.97Å; K288-G290 VanDerWaalsContact O-N 3.07Å; G290-H292 VanDerWaalsContact C-N 3.3Å; G290-H292 PolarHBondContact O-N 3Å
291	F	23.6	Very low	25.9	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.842	77%	0.765	S	S	*	*			trans	-63.2	95.3	167.6	-93.5	-92.9	0	0	0	108.6	Q289 V293	Q289-F291 PolarHBondContact O-N 3.18Å; Q289-F291 VanDerWaalsContact O-N 3.11Å; F291-V293 PolarHBondContact O-N 3.46Å
292	H	22.8	Very low	26.2	Very low	173 Å²	173	152 Å²	152	80%	0.801	77%	0.768	S	S	*	*			trans	-72.9	78.7	-176.2	-161.3	-53.6	0	0	0	109.6	G290 K294	G290-H292 VanDerWaalsContact C-N 3.3Å; G290-H292 PolarHBondContact O-N 3Å; H292-K294 VanDerWaalsContact C-N 3.26Å; H292-K294 PolarHBondContact O-N 3.38Å
293	V	27.5	Very low	26.6	Very low	122 Å²	122	149.2 Å²	149.2	74%	0.739	77%	0.768	S	S	*	*			trans	-63.1	89.4	178.5	-178.8	0	0	0	0	108.6	F291 C295	F291-V293 PolarHBondContact O-N 3.46Å; V293-C295 PolarHBondContact O-N 2.83Å
294	K	25.5	Very low	27.1	Very low	172 Å²	172	145.2 Å²	145.2	75%	0.748	77%	0.766	S	S	*	*			trans	-68.7	82.7	175.7	-164.1	173.5	-169.9	173.7	0	107.1	H292 H296	H292-K294 VanDerWaalsContact C-N 3.26Å; H292-K294 PolarHBondContact O-N 3.38Å; K294-H296 VanDerWaalsContact C-N 3.34Å; K294-H296 PolarHBondContact O-CD2 3.18Å; K294-H296 PolarHBondContact O-N 2.97Å
295	C	23.7	Very low	27.5	Very low	109 Å²	109	140 Å²	140	74%	0.736	76%	0.761	S	S	*	*			trans	-65	94.3	-171.4	-164.4	0	0	0	0	108.9	V293 T297	V293-C295 PolarHBondContact O-N 2.83Å; C295-T297 PolarHBondContact O-N 3.3Å; C295-T297 VanDerWaalsContact O-N 3.16Å
296	H	25.8	Very low	27.8	Very low	157 Å²	157	139.7 Å²	139.7	73%	0.727	77%	0.77	S	S	*	*			trans	-55.1	123.9	175.5	-86	-100.9	0	0	0	107.8	K294 V298	K294-H296 VanDerWaalsContact C-N 3.34Å; K294-H296 PolarHBondContact O-CD2 3.18Å; K294-H296 PolarHBondContact O-N 2.97Å; H296-V298 VanDerWaalsContact C-N 3.29Å; H296-V298 PolarHBondContact O-N 2.96Å
297	T	26.5	Very low	28.5	Very low	122 Å²	122	138.9 Å²	138.9	75%	0.748	78%	0.775	S	S	*	*			trans	-67.3	93.8	176.7	42	0	0	0	0	108.3	C295 K299	C295-T297 PolarHBondContact O-N 3.3Å; C295-T297 VanDerWaalsContact O-N 3.16Å; T297-K299 PolarHBondContact O-N 3.32Å
298	V	28.7	Very low	29.1	Very low	123 Å²	123	140.1 Å²	140.1	75%	0.745	79%	0.786	S	S	*	*			trans	-66.4	80.2	164.5	-175.6	0	0	0	0	106.6	H296	H296-V298 VanDerWaalsContact C-N 3.29Å; H296-V298 PolarHBondContact O-N 2.96Å
299	K	26.8	Very low	29.6	Very low	160 Å²	160	135 Å²	135	70%	0.696	78%	0.783	S	S	*	*			trans	-51.5	137.5	166	-67.3	178.4	-179.7	177	0	106.5	T297 H301	T297-K299 PolarHBondContact O-N 3.32Å; K299-H301 PolarHBondContact O-N 3.44Å
300	P	25.1	Very low	30.3	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	79%	0.79	S	S	*	*			trans	-55.4	133.3	172.6	25.5	-33.7	0	0	0	108.3	N302	P300-N302 PolarHBondContact O-N 2.82Å
301	H	27.8	Very low	31.2	Very low	176 Å²	176	140.4 Å²	140.4	82%	0.815	79%	0.794	S	S	*	*			trans	-69.4	72.4	-176.5	-79.7	-95.7	0	0	0	112	K299 S303	K299-H301 PolarHBondContact O-N 3.44Å; H301-S303 PolarHBondContact O-N 3.27Å
302	N	31.4	Very low	32.8	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	78%	0.777	S	S	*	*			trans	-69.3	106.7	146.8	-84.6	1.7	0	0	0	106.5	P300 V304	P300-N302 PolarHBondContact O-N 2.82Å; N302-V304 PolarHBondContact O-N 3.07Å
303	S	30.6	Very low	34.9	Very low	117 Å²	117	133 Å²	133	82%	0.818	77%	0.767	S	S	*	*			trans	-75.9	87.5	-178.1	57.9	0	0	0	0	111.5	H301	H301-S303 PolarHBondContact O-N 3.27Å
304	V	35.4	Very low	37.5	Very low	142 Å²	142	130.6 Å²	130.6	86%	0.861	75%	0.746	S	S	*	*			trans	-106.6	118.3	151.2	-173.6	0	0	0	0	105.2	N302	N302-V304 PolarHBondContact O-N 3.07Å
305	G	35.1	Very low	40.3	Very low	71 Å²	71	126.2 Å²	126.2	73%	0.732	74%	0.735	S	S	*	*			trans	-101	168.4	-161.2	0	0	0	0	0	115.1
306	S	31.1	Very low	43.3	Very low	130 Å²	130	125.3 Å²	125.3	91%	0.909	72%	0.717	S	S	*	*			trans	-133.2	145.9	155.9	-71.1	0	0	0	0	108.4
307	S	42.7	Very low	46.3	Very low	122 Å²	122	124 Å²	124	85%	0.853	71%	0.709	S	S	*	*			trans	-93.2	146.9	-161.6	-49	0	0	0	0	114.1
308	L	39.5	Very low	49.3	Very low	180 Å²	180	118.6 Å²	118.6	94%	0.942	68%	0.676	S	S	*	*			trans	-165.4	128.4	138.3	-103.6	177.6	0	0	0	109.3
309	G	40.1	Very low	52.1	Low	69 Å²	69	118.2 Å²	118.2	71%	0.711	67%	0.67	S	S	*	*	S	Bend	trans	83.7	121.9	167.8	0	0	0	0	0	117.4
310	L	40.6	Very low	54.8	Low	173 Å²	173	114.6 Å²	114.6	91%	0.906	67%	0.665	S	S	*	*			trans	72.8	122.5	170.9	-54.5	178	0	0	0	118.1	E312	L310-E312 PolarHBondContact O-N 2.81Å
311	H	45.7	Very low	57.8	Low	172 Å²	172	111.1 Å²	111.1	80%	0.796	64%	0.642	S	S	*	*			trans	-75.2	95	169.8	-98.4	-116	0	0	0	110.9	D313	H311-D313 VanDerWaalsContact C-N 3.34Å; H311-D313 IonicContact ND1-OD1 3.68Å; H311-D313 PolarHBondContact O-N 2.85Å; H311-D313 VanDerWaalsContact O-N 3.14Å
312	E	57.3	Low	60.6	Low	102 Å²	102	112 Å²	112	48%	0.477	65%	0.647	S	S	.	*			trans	-76.8	87.6	157.5	-80.9	-156.6	177.6	0	0	110.3	L310 K314 R326	L310-E312 PolarHBondContact O-N 2.81Å; E312-K314 PolarHBondContact O-N 3.11Å; E312-K314 WeakPolarHBondContact OE2-CE 3.46Å; E312-K314 IonicContact OE2-NZ 3.99Å; E312-K314 PolarHBondContact OE2-NZ 2.81Å; E312-R326 IonicContact OE1-CZ 3.69Å; E312-R326 VanDerWaalsContact OE1-CZ 3.32Å; E312-R326 IonicContact OE1-NE 2.67Å; E312-R326 IonicContact OE1-NH2 2.75Å; E312-R326 PolarHBondContact OE1-NH2 3.15Å; E312-R326 IonicContact OE2-CZ 3.78Å; E312-R326 VanDerWaalsContact OE2-CZ 3.3Å; E312-R326 IonicContact OE2-NE 2.75Å; E312-R326 PolarHBondContact OE2-NE 3.2Å; E312-R326 IonicContact OE2-NH2 3.93Å; E312-R326 PolarHBondContact OE2-NH2 3.49Å
313	D	66.2	Low	63.2	Low	109 Å²	109	110.7 Å²	110.7	58%	0.583	63%	0.634	S	S	*	*			trans	-62.7	113.6	173	-78.6	-38.3	0	0	0	111	H311 P315	H311-D313 VanDerWaalsContact C-N 3.34Å; H311-D313 IonicContact ND1-OD1 3.68Å; H311-D313 PolarHBondContact O-N 2.85Å; H311-D313 VanDerWaalsContact O-N 3.14Å; D313-P315 WeakPolarHBondContact O-CD 3.34Å
314	K	82	Confident	66	Low	71 Å²	71	112 Å²	112	31%	0.309	62%	0.621	S	S	.	*			trans	-106.8	76.7	168.4	-72	161.6	-175.1	148.3	0	106.9	E312 Y316 R324 F325 R326	E312-K314 PolarHBondContact O-N 3.11Å; E312-K314 WeakPolarHBondContact OE2-CE 3.46Å; E312-K314 IonicContact OE2-NZ 3.99Å; E312-K314 PolarHBondContact OE2-NZ 2.81Å; K314-Y316 PolarHBondContact O-N 3.09Å; K314-R324 HydrophobicContact CB-CB 3.77Å; K314-R324 VanDerWaalsContact O-CZ 3.32Å; K314-R324 PolarHBondContact O-NE 3.04Å; K314-R324 PolarHBondContact O-NH2 2.77Å; K314-F325 CarbonylContact C-O 3.57Å; K314-F325 WeakPolarHBondContact CA-O 3.43Å; K314-R326 HydrophobicContact CD-CG 4.46Å; K314-R326 HydrophobicContact CG-CG 3.68Å
315	P	84.7	Confident	68.7	Low	80 Å²	80	107.3 Å²	107.3	52%	0.519	59%	0.589	S	S	.	*			trans	-69.3	-24.1	-170.6	27.6	-35.2	0	0	0	112.3	D313 K317	D313-P315 WeakPolarHBondContact O-CD 3.34Å; P315-K317 PolarHBondContact O-N 3.45Å
316	Y	85.6	Confident	71.2	Confident	89 Å²	89	111.4 Å²	111.4	35%	0.349	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.4	90.6	-176.7	-54.4	-68.5	0	0	0	110.9	K314 R324 F325 R328	K314-Y316 PolarHBondContact O-N 3.09Å; Y316-R324 CarbonylContact O-C 3.57Å; Y316-R324 WeakPolarHBondContact O-CA 3.32Å; Y316-F325 PolarHBondContact N-O 3.04Å; Y316-F325 PolarHBondContact O-N 2.99Å; Y316-R328 HydrophobicContact CD1-CB 3.8Å; Y316-R328 HydrophobicContact CD1-CG 4.05Å; Y316-R328 HydrophobicContact CD2-CB 4.35Å; Y316-R328 HydrophobicContact CE1-CB 3.67Å; Y316-R328 HydrophobicContact CE1-CG 4.07Å; Y316-R328 HydrophobicContact CE2-CB 4.2Å; Y316-R328 VanDerWaalsContact CE2-N 3.3Å; Y316-R328 HydrophobicContact CG-CB 4.15Å
317	K	89.4	Confident	73.9	Confident	131 Å²	131	110.5 Å²	110.5	57%	0.57	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.2	154	168.8	66.8	171.8	-172.9	166.8	0	111.5	P315 D319 R324 L331	P315-K317 PolarHBondContact O-N 3.45Å; K317-D319 VanDerWaalsContact CE-OD1 3.29Å; K317-D319 WeakPolarHBondContact CE-OD1 3.29Å; K317-D319 IonicContact NZ-OD1 3.62Å; K317-R324 HydrophobicContact CB-CG 4.22Å; K317-L331 VanDerWaalsContact O-CD1 3.29Å; K317-L331 WeakPolarHBondContact O-CD1 3.49Å; K317-L331 WeakPolarHBondContact O-CD2 3.19Å
318	C	90.1	Very high	76	Confident	7 Å²	7	113.7 Å²	113.7	5%	0.047	56%	0.557	C	S	.	*			trans	-93	141.7	162.2	-172.4	0	0	0	0	110	C321 K323 F325 L331	C318-C321 CarbonylContact C-O 3.59Å; C318-C321 WeakPolarHBondContact CB-O 3.28Å; C318-K323 PolarHBondContact N-O 3.41Å; C318-F325 HydrophobicContact CB-CE2 4.39Å; C318-L331 HydrophobicContact CB-CD1 3.65Å
319	D	86.1	Confident	78.2	Confident	115 Å²	115	107.3 Å²	107.3	62%	0.615	53%	0.528	S	S	*	.	S	Bend	trans	-88.6	-15.6	-178.6	-47.3	-75.1	0	0	0	112.3	K317	K317-D319 VanDerWaalsContact CE-OD1 3.29Å; K317-D319 WeakPolarHBondContact CE-OD1 3.29Å; K317-D319 IonicContact NZ-OD1 3.62Å
320	S	85	Confident	80.5	Confident	85 Å²	85	106.9 Å²	106.9	59%	0.594	51%	0.509	S	S	*	.	S	Bend	trans	-96	-10.2	177.1	-45.1	0	0	0	0	113.9
321	C	88.4	Confident	82.8	Confident	41 Å²	41	99.4 Å²	99.4	28%	0.277	47%	0.47	S	S	.	.	S	Bend	trans	-164.9	162	167	71.2	0	0	0	0	111.6	C318 K323 H334	C318-C321 CarbonylContact C-O 3.59Å; C318-C321 WeakPolarHBondContact CB-O 3.28Å; C321-K323 PolarHBondContact O-N 3.35Å; C321-H334 PolarHBondContact SG-NE2 2.71Å
322	E	85.5	Confident	84.7	Confident	194 Å²	194	96.3 Å²	96.3	91%	0.907	46%	0.455	S	S	*	.	S	Bend	trans	-64	7.6	-171.2	-57.4	173.7	163.2	0	0	116.4
323	K	86.2	Confident	86.1	Confident	124 Å²	124	95.2 Å²	95.2	54%	0.539	45%	0.448	S	S	.	.			trans	-75.7	131	-175.8	-66	179.1	-174.8	175.7	0	111.4	C318 C321 F325	C318-K323 PolarHBondContact N-O 3.41Å; C321-K323 PolarHBondContact O-N 3.35Å; K323-F325 HydrophobicContact CB-CE2 3.71Å; K323-F325 HydrophobicContact CB-CZ 3.8Å; K323-F325 WeakPolarHBondContact O-CE2 3.36Å
324	R	90.3	Very high	87.2	Confident	145 Å²	145	91 Å²	91	55%	0.547	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.8	178.1	-62.3	179.3	62.5	173.5	-1.2	111.3	K314 Y316 K317	K314-R324 HydrophobicContact CB-CB 3.77Å; K314-R324 VanDerWaalsContact O-CZ 3.32Å; K314-R324 PolarHBondContact O-NE 3.04Å; K314-R324 PolarHBondContact O-NH2 2.77Å; Y316-R324 CarbonylContact O-C 3.57Å; Y316-R324 WeakPolarHBondContact O-CA 3.32Å; K317-R324 HydrophobicContact CB-CG 4.22Å
325	F	90.6	Very high	87.3	Confident	44 Å²	44	90.4 Å²	90.4	19%	0.193	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.8	-172.3	-59.3	-90.4	0	0	0	111.1	K314 Y316 C318 K323 Q327 D330 L331 H334	K314-F325 CarbonylContact C-O 3.57Å; K314-F325 WeakPolarHBondContact CA-O 3.43Å; Y316-F325 PolarHBondContact N-O 3.04Å; Y316-F325 PolarHBondContact O-N 2.99Å; C318-F325 HydrophobicContact CB-CE2 4.39Å; K323-F325 HydrophobicContact CB-CE2 3.71Å; K323-F325 HydrophobicContact CB-CZ 3.8Å; K323-F325 WeakPolarHBondContact O-CE2 3.36Å; F325-Q327 VanDerWaalsContact C-N 3.35Å; F325-D330 HydrophobicContact CB-CB 4.25Å; F325-D330 HydrophobicContact CD1-CB 3.83Å; F325-D330 HydrophobicContact CG-CB 4.33Å; F325-L331 HydrophobicContact CB-CB 4.32Å; F325-L331 HydrophobicContact CD2-CB 3.98Å; F325-L331 HydrophobicContact CD2-CD1 4.03Å; F325-L331 HydrophobicContact CE2-CD1 4.22Å; F325-L331 HydrophobicContact CG-CB 4.27Å; F325-H334 HydrophobicContact CE1-CB 3.96Å; F325-H334 HydrophobicContact CE2-CB 4.09Å; F325-H334 AromaticContact CE2-CD2 3.4Å; F325-H334 WeakPolarHBondContact CE2-CD2 3.25Å; F325-H334 AromaticContact CE2-CG 3.95Å; F325-H334 HydrophobicContact CZ-CB 3.53Å; F325-H334 AromaticContact CZ-CD2 3.28Å; F325-H334 WeakPolarHBondContact CZ-CD2 3.37Å; F325-H334 AromaticContact CZ-CG 3.41Å; F325-H334 VanDerWaalsContact CZ-CG 3.41Å
326	R	88.1	Confident	87.4	Confident	156 Å²	156	88.6 Å²	88.6	59%	0.589	41%	0.406	S	S	*	.	S	Bend	trans	-72.6	-27.4	174.2	-63.8	-168.1	-160.7	146.5	6.8	112.2	E312 K314	E312-R326 IonicContact OE1-CZ 3.69Å; E312-R326 VanDerWaalsContact OE1-CZ 3.32Å; E312-R326 IonicContact OE1-NE 2.67Å; E312-R326 IonicContact OE1-NH2 2.75Å; E312-R326 PolarHBondContact OE1-NH2 3.15Å; E312-R326 IonicContact OE2-CZ 3.78Å; E312-R326 VanDerWaalsContact OE2-CZ 3.3Å; E312-R326 IonicContact OE2-NE 2.75Å; E312-R326 PolarHBondContact OE2-NE 3.2Å; E312-R326 IonicContact OE2-NH2 3.93Å; E312-R326 PolarHBondContact OE2-NH2 3.49Å; K314-R326 HydrophobicContact CD-CG 4.46Å; K314-R326 HydrophobicContact CG-CG 3.68Å
327	Q	87.9	Confident	87.5	Confident	112 Å²	112	88.6 Å²	88.6	52%	0.523	42%	0.416	S	S	.	.	S	Bend	trans	-123.6	143.6	179.4	-59.1	-171.1	5	0	0	112.9	F325 S329 D330 L331	F325-Q327 VanDerWaalsContact C-N 3.35Å; Q327-S329 PolarHBondContact O-N 3.26Å; Q327-S329 PolarHBondContact OE1-OG 2.91Å; Q327-D330 PolarHBondContact O-N 3.31Å; Q327-D330 VanDerWaalsContact O-N 3.12Å; Q327-L331 PolarHBondContact O-N 3.3Å
328	R	86.5	Confident	87.3	Confident	188 Å²	188	86.1 Å²	86.1	71%	0.709	41%	0.406	S	S	*	.	H	α-helix	trans	-60.2	-30.9	171.3	-163.4	173.8	-178	165.8	0.7	112	Y316 D330 L331 F332	Y316-R328 HydrophobicContact CD1-CB 3.8Å; Y316-R328 HydrophobicContact CD1-CG 4.05Å; Y316-R328 HydrophobicContact CD2-CB 4.35Å; Y316-R328 HydrophobicContact CE1-CB 3.67Å; Y316-R328 HydrophobicContact CE1-CG 4.07Å; Y316-R328 HydrophobicContact CE2-CB 4.2Å; Y316-R328 VanDerWaalsContact CE2-N 3.3Å; Y316-R328 HydrophobicContact CG-CB 4.15Å; R328-D330 VanDerWaalsContact C-N 3.32Å; R328-D330 PolarHBondContact O-N 3.48Å; R328-L331 PolarHBondContact O-N 2.79Å; R328-F332 WeakPolarHBondContact O-CB 3.4Å; R328-F332 PolarHBondContact O-N 2.99Å
329	S	85.9	Confident	87	Confident	47 Å²	47	90 Å²	90	33%	0.329	43%	0.43	S	S	.	.	H	α-helix	trans	-61.3	-39.6	176	83.4	0	0	0	0	111.9	Q327 K333	Q327-S329 PolarHBondContact O-N 3.26Å; Q327-S329 PolarHBondContact OE1-OG 2.91Å; S329-K333 WeakPolarHBondContact O-CD 3.43Å; S329-K333 WeakPolarHBondContact O-CE 3.22Å; S329-K333 WeakPolarHBondContact O-CG 3.4Å; S329-K333 PolarHBondContact O-N 2.8Å; S329-K333 PolarHBondContact OG-NZ 3.2Å
330	D	88.1	Confident	86.9	Confident	60 Å²	60	86.4 Å²	86.4	32%	0.321	42%	0.42	S	S	.	.	H	α-helix	trans	-78.4	-36.5	180	-66.5	-41.5	0	0	0	112.4	F325 Q327 R328 F332 K333 H334	F325-D330 HydrophobicContact CB-CB 4.25Å; F325-D330 HydrophobicContact CD1-CB 3.83Å; F325-D330 HydrophobicContact CG-CB 4.33Å; Q327-D330 PolarHBondContact O-N 3.31Å; Q327-D330 VanDerWaalsContact O-N 3.12Å; R328-D330 VanDerWaalsContact C-N 3.32Å; R328-D330 PolarHBondContact O-N 3.48Å; D330-F332 VanDerWaalsContact C-N 3.31Å; D330-F332 PolarHBondContact O-N 3.35Å; D330-K333 PolarHBondContact O-N 3.07Å; D330-K333 IonicContact OD1-NZ 3.9Å; D330-K333 PolarHBondContact OD1-NZ 3.03Å; D330-H334 WeakPolarHBondContact O-CB 3.32Å; D330-H334 PolarHBondContact O-N 3.22Å
331	L	88.9	Confident	87	Confident	16 Å²	16	86.2 Å²	86.2	8%	0.084	41%	0.41	C	S	.	.	H	α-helix	trans	-55.9	-47.6	167.8	170.3	60.6	0	0	0	110.8	K317 C318 F325 Q327 R328 H334 Q335	K317-L331 VanDerWaalsContact O-CD1 3.29Å; K317-L331 WeakPolarHBondContact O-CD1 3.49Å; K317-L331 WeakPolarHBondContact O-CD2 3.19Å; C318-L331 HydrophobicContact CB-CD1 3.65Å; F325-L331 HydrophobicContact CB-CB 4.32Å; F325-L331 HydrophobicContact CD2-CB 3.98Å; F325-L331 HydrophobicContact CD2-CD1 4.03Å; F325-L331 HydrophobicContact CE2-CD1 4.22Å; F325-L331 HydrophobicContact CG-CB 4.27Å; Q327-L331 PolarHBondContact O-N 3.3Å; R328-L331 PolarHBondContact O-N 2.79Å; L331-H334 CarbonylContact O-C 3.59Å; L331-H334 WeakPolarHBondContact O-CA 3.46Å; L331-H334 WeakPolarHBondContact O-CB 3.16Å; L331-H334 PolarHBondContact O-N 2.78Å; L331-H334 VanDerWaalsContact O-N 3.07Å; L331-Q335 HydrophobicContact CD1-CG 4.02Å; L331-Q335 HydrophobicContact CG-CG 4.42Å; L331-Q335 WeakPolarHBondContact O-CG 3.41Å; L331-Q335 PolarHBondContact O-N 2.81Å
332	F	86.3	Confident	87.1	Confident	106 Å²	106	90.3 Å²	90.3	47%	0.465	42%	0.423	S	S	.	.	H	α-helix	trans	-66.3	-41.6	180	-170.7	-112.2	0	0	0	112.5	R328 D330 H334 Q335 R336	R328-F332 WeakPolarHBondContact O-CB 3.4Å; R328-F332 PolarHBondContact O-N 2.99Å; D330-F332 VanDerWaalsContact C-N 3.31Å; D330-F332 PolarHBondContact O-N 3.35Å; F332-H334 PolarHBondContact O-N 3.49Å; F332-Q335 PolarHBondContact O-N 3.09Å; F332-R336 PolarHBondContact O-N 3.15Å
333	K	87	Confident	87.2	Confident	80 Å²	80	84.5 Å²	84.5	35%	0.348	40%	0.402	S	S	.	.	H	α-helix	trans	-57.7	-33.2	170	-69.7	163	-141.6	158	0	112	S329 D330	S329-K333 WeakPolarHBondContact O-CD 3.43Å; S329-K333 WeakPolarHBondContact O-CE 3.22Å; S329-K333 WeakPolarHBondContact O-CG 3.4Å; S329-K333 PolarHBondContact O-N 2.8Å; S329-K333 PolarHBondContact OG-NZ 3.2Å; D330-K333 PolarHBondContact O-N 3.07Å; D330-K333 IonicContact OD1-NZ 3.9Å; D330-K333 PolarHBondContact OD1-NZ 3.03Å
334	H	87.8	Confident	87.4	Confident	20 Å²	20	82.6 Å²	82.6	9%	0.093	39%	0.392	C	S	.	.	H	α-helix	trans	-80.1	-38.7	177.2	173.5	46	0	0	0	113.3	C321 F325 D330 L331 F332 R336 T337 H338	C321-H334 PolarHBondContact SG-NE2 2.71Å; F325-H334 HydrophobicContact CE1-CB 3.96Å; F325-H334 HydrophobicContact CE2-CB 4.09Å; F325-H334 AromaticContact CE2-CD2 3.4Å; F325-H334 WeakPolarHBondContact CE2-CD2 3.25Å; F325-H334 AromaticContact CE2-CG 3.95Å; F325-H334 HydrophobicContact CZ-CB 3.53Å; F325-H334 AromaticContact CZ-CD2 3.28Å; F325-H334 WeakPolarHBondContact CZ-CD2 3.37Å; F325-H334 AromaticContact CZ-CG 3.41Å; F325-H334 VanDerWaalsContact CZ-CG 3.41Å; D330-H334 WeakPolarHBondContact O-CB 3.32Å; D330-H334 PolarHBondContact O-N 3.22Å; L331-H334 CarbonylContact O-C 3.59Å; L331-H334 WeakPolarHBondContact O-CA 3.46Å; L331-H334 WeakPolarHBondContact O-CB 3.16Å; L331-H334 PolarHBondContact O-N 2.78Å; L331-H334 VanDerWaalsContact O-N 3.07Å; F332-H334 PolarHBondContact O-N 3.49Å; H334-R336 PolarHBondContact O-N 3.2Å; H334-T337 PolarHBondContact CE1-OG1 2.7Å; H334-T337 PolarHBondContact ND1-OG1 2.91Å; H334-T337 WeakPolarHBondContact O-CA 3.23Å; H334-T337 WeakPolarHBondContact O-CB 3.45Å; H334-T337 PolarHBondContact O-N 3.34Å; H334-T337 PolarHBondContact O-OG1 3.28Å; H334-H338 AromaticContact CE1-CD2 3.95Å; H334-H338 AromaticContact CE1-CE1 3.89Å; H334-H338 AromaticContact CE1-NE2 3.27Å; H334-H338 PolarHBondContact CE1-NE2 3.12Å; H334-H338 VanDerWaalsContact CE1-NE2 3.27Å; H334-H338 AromaticContact NE2-CD2 3.89Å; H334-H338 AromaticContact NE2-CE1 3.98Å; H334-H338 AromaticContact NE2-NE2 3.09Å; H334-H338 PolarHBondContact NE2-NE2 3.15Å
335	Q	86.1	Confident	87.5	Confident	59 Å²	59	80.2 Å²	80.2	28%	0.276	39%	0.387	S	S	.	.	H	α-helix	trans	-56.4	-35.9	177.3	-77.9	168.2	-40.6	0	0	111.8	L331 F332 T337 H338 T339	L331-Q335 HydrophobicContact CD1-CG 4.02Å; L331-Q335 HydrophobicContact CG-CG 4.42Å; L331-Q335 WeakPolarHBondContact O-CG 3.41Å; L331-Q335 PolarHBondContact O-N 2.81Å; F332-Q335 PolarHBondContact O-N 3.09Å; Q335-T337 PolarHBondContact O-N 3.07Å; Q335-T337 VanDerWaalsContact O-N 3.09Å; Q335-H338 WeakPolarHBondContact O-CB 3.34Å; Q335-H338 PolarHBondContact O-N 2.99Å; Q335-T339 PolarHBondContact O-N 3.49Å; Q335-T339 VanDerWaalsContact O-N 3.07Å
336	R	86.8	Confident	87.6	Confident	41 Å²	41	78.2 Å²	78.2	16%	0.155	38%	0.378	C	S	.	.	H	α-helix	trans	-59.9	-15.7	170.8	-66.9	-171.4	168.8	161.7	3.8	115.6	F332 H334 G340 E341 S354	F332-R336 PolarHBondContact O-N 3.15Å; H334-R336 PolarHBondContact O-N 3.2Å; R336-G340 WeakPolarHBondContact O-CA 3.38Å; R336-G340 PolarHBondContact O-N 3.41Å; R336-G340 VanDerWaalsContact O-N 3.15Å; R336-E341 HydrophobicContact CB-CB 4.2Å; R336-E341 HydrophobicContact CG-CB 3.93Å; R336-E341 IonicContact NE-OE2 3.5Å; R336-E341 PolarHBondContact NE-OE2 2.62Å; R336-E341 PolarHBondContact O-N 3.46Å; R336-S354 PolarHBondContact NH1-O 2.97Å
337	T	85.9	Confident	87.7	Confident	90 Å²	90	78.7 Å²	78.7	55%	0.552	39%	0.387	S	S	*	.	H	α-helix	trans	-81.7	-18	172.4	68.1	0	0	0	0	113	H334 Q335	H334-T337 PolarHBondContact CE1-OG1 2.7Å; H334-T337 PolarHBondContact ND1-OG1 2.91Å; H334-T337 WeakPolarHBondContact O-CA 3.23Å; H334-T337 WeakPolarHBondContact O-CB 3.45Å; H334-T337 PolarHBondContact O-N 3.34Å; H334-T337 PolarHBondContact O-OG1 3.28Å; Q335-T337 PolarHBondContact O-N 3.07Å; Q335-T337 VanDerWaalsContact O-N 3.09Å
338	H	86	Confident	87.6	Confident	79 Å²	79	77 Å²	77	37%	0.366	39%	0.392	S	S	.	.	H	α-helix	trans	-92.2	-46	171.4	-58.7	-67	0	0	0	111.6	H334 Q335 G340	H334-H338 AromaticContact CE1-CD2 3.95Å; H334-H338 AromaticContact CE1-CE1 3.89Å; H334-H338 AromaticContact CE1-NE2 3.27Å; H334-H338 PolarHBondContact CE1-NE2 3.12Å; H334-H338 VanDerWaalsContact CE1-NE2 3.27Å; H334-H338 AromaticContact NE2-CD2 3.89Å; H334-H338 AromaticContact NE2-CE1 3.98Å; H334-H338 AromaticContact NE2-NE2 3.09Å; H334-H338 PolarHBondContact NE2-NE2 3.15Å; Q335-H338 WeakPolarHBondContact O-CB 3.34Å; Q335-H338 PolarHBondContact O-N 2.99Å; H338-G340 PolarHBondContact O-N 3.01Å
339	T	83.6	Confident	87.6	Confident	88 Å²	88	70.4 Å²	70.4	54%	0.54	37%	0.374	S	S	.	.	H	α-helix	trans	-73.3	-14.6	177.8	65.1	0	0	0	0	113.4	Q335 E341	Q335-T339 PolarHBondContact O-N 3.49Å; Q335-T339 VanDerWaalsContact O-N 3.07Å; T339-E341 WeakPolarHBondContact CB-OE1 3.16Å; T339-E341 PolarHBondContact O-N 3.42Å; T339-E341 VanDerWaalsContact OG1-CD 3.31Å; T339-E341 WeakPolarHBondContact OG1-CG 3.38Å; T339-E341 PolarHBondContact OG1-OE1 2.97Å
340	G	85	Confident	87.6	Confident	40 Å²	40	70 Å²	70	41%	0.412	38%	0.378	S	S	.	.			trans	73.2	0.7	-177.9	0	0	0	0	0	114.7	R336 H338 K342	R336-G340 WeakPolarHBondContact O-CA 3.38Å; R336-G340 PolarHBondContact O-N 3.41Å; R336-G340 VanDerWaalsContact O-N 3.15Å; H338-G340 PolarHBondContact O-N 3.01Å; G340-K342 WeakPolarHBondContact O-CG 3.48Å; G340-K342 PolarHBondContact O-N 3.34Å
341	E	86.4	Confident	87.7	Confident	81 Å²	81	73.1 Å²	73.1	38%	0.379	39%	0.389	S	S	.	.			trans	-50.3	127.8	-178.6	-87.5	167.9	-114.9	0	0	113.3	R336 T339 S354	R336-E341 HydrophobicContact CB-CB 4.2Å; R336-E341 HydrophobicContact CG-CB 3.93Å; R336-E341 IonicContact NE-OE2 3.5Å; R336-E341 PolarHBondContact NE-OE2 2.62Å; R336-E341 PolarHBondContact O-N 3.46Å; T339-E341 WeakPolarHBondContact CB-OE1 3.16Å; T339-E341 PolarHBondContact O-N 3.42Å; T339-E341 VanDerWaalsContact OG1-CD 3.31Å; T339-E341 WeakPolarHBondContact OG1-CG 3.38Å; T339-E341 PolarHBondContact OG1-OE1 2.97Å; E341-S354 WeakPolarHBondContact O-CA 3.45Å; E341-S354 WeakPolarHBondContact O-CB 3.37Å
342	K	89.3	Confident	87.8	Confident	126 Å²	126	74.4 Å²	74.4	55%	0.548	40%	0.399	S	S	.	.			trans	-132.4	73.5	179.2	-73.4	154.8	-175.9	167.8	0	111.2	G340 Y344 S352 F353	G340-K342 WeakPolarHBondContact O-CG 3.48Å; G340-K342 PolarHBondContact O-N 3.34Å; K342-Y344 PolarHBondContact O-N 2.94Å; K342-S352 WeakPolarHBondContact CD-O 3.29Å; K342-S352 WeakPolarHBondContact O-CB 3.36Å; K342-F353 CarbonylContact C-O 3.51Å; K342-F353 VanDerWaalsContact CA-O 3.23Å; K342-F353 WeakPolarHBondContact CA-O 3.22Å
343	P	88.6	Confident	88	Confident	72 Å²	72	71.7 Å²	71.7	47%	0.468	39%	0.387	S	S	.	.			trans	-68.9	-15.1	-173.5	-21.7	35.9	0	0	0	114.9
344	Y	90.7	Very high	88.1	Confident	85 Å²	85	69.5 Å²	69.5	33%	0.333	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	94.7	-173.4	-53.7	-76.7	0	0	0	110.5	K342 S352 F353 S356	K342-Y344 PolarHBondContact O-N 2.94Å; Y344-S352 CarbonylContact O-C 3.51Å; Y344-S352 WeakPolarHBondContact O-CA 3.37Å; Y344-F353 WeakPolarHBondContact CD2-O 3.45Å; Y344-F353 PolarHBondContact N-O 2.96Å; Y344-F353 PolarHBondContact O-N 3.49Å; Y344-S356 VanDerWaalsContact CD2-N 3.26Å
345	Q	93.1	Very high	88.1	Confident	94 Å²	94	72.7 Å²	72.7	44%	0.439	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	138.6	-178.5	-169.7	168.6	32.1	0	0	113.3	G350 S352	Q345-G350 PolarHBondContact NE2-O 3.16Å; Q345-S352 WeakPolarHBondContact CG-OG 3.44Å
346	C	92	Very high	88.3	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.02	40%	0.404	C	S	.	.			trans	-86.2	107.1	172	-168.2	0	0	0	0	110.7	A348 C349 G350 K351 F353 L359 H366	C346-A348 PolarHBondContact O-N 3.25Å; C346-C349 PolarHBondContact O-N 2.78Å; C346-C349 VanDerWaalsContact O-N 3.15Å; C346-G350 WeakPolarHBondContact O-CA 3.5Å; C346-G350 PolarHBondContact O-N 2.91Å; C346-K351 WeakPolarHBondContact CB-O 3.43Å; C346-K351 PolarHBondContact N-O 2.67Å; C346-F353 HydrophobicContact CB-CE2 4.45Å; C346-L359 HydrophobicContact CB-CD1 3.47Å; C346-L359 VanDerWaalsContact CB-CD1 3.47Å; C346-H366 PolarHBondContact SG-NE2 2.75Å; C346-H366 VanDerWaalsContact SG-NE2 3.38Å
347	Q	90	Very high	88.3	Confident	165 Å²	165	73.3 Å²	73.3	77%	0.771	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.9	-178	-57.4	-56.8	-20.8	0	0	113.3	C349	Q347-C349 VanDerWaalsContact C-N 3.29Å; Q347-C349 PolarHBondContact O-N 2.9Å
348	A	84.8	Confident	88.5	Confident	76 Å²	76	70.6 Å²	70.6	63%	0.628	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13	179.9	0	0	0	0	0	115.1	C346	C346-A348 PolarHBondContact O-N 3.25Å
349	C	86.8	Confident	88.8	Confident	50 Å²	50	67.9 Å²	67.9	34%	0.338	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.4	12	-178.3	71.3	0	0	0	0	115.6	C346 Q347 K351 H362 H366	C346-C349 PolarHBondContact O-N 2.78Å; C346-C349 VanDerWaalsContact O-N 3.15Å; Q347-C349 VanDerWaalsContact C-N 3.29Å; Q347-C349 PolarHBondContact O-N 2.9Å; C349-K351 PolarHBondContact O-N 2.94Å; C349-H362 PolarHBondContact SG-NE2 3.27Å; C349-H366 PolarHBondContact SG-NE2 3.16Å
350	G	86.9	Confident	89.1	Confident	40 Å²	40	67.2 Å²	67.2	41%	0.412	39%	0.387	S	S	.	.			trans	68.2	-6.1	-179.9	0	0	0	0	0	116.4	Q345 C346	Q345-G350 PolarHBondContact NE2-O 3.16Å; C346-G350 WeakPolarHBondContact O-CA 3.5Å; C346-G350 PolarHBondContact O-N 2.91Å
351	K	89	Confident	89.3	Confident	125 Å²	125	70.3 Å²	70.3	54%	0.543	39%	0.39	S	S	.	.			trans	-72.5	128.4	-174.4	-68.6	177.3	-176.1	171.2	0	112.2	C346 C349 F353	C346-K351 WeakPolarHBondContact CB-O 3.43Å; C346-K351 PolarHBondContact N-O 2.67Å; C349-K351 PolarHBondContact O-N 2.94Å; K351-F353 HydrophobicContact CB-CE2 4.07Å; K351-F353 HydrophobicContact CB-CZ 4.31Å; K351-F353 VanDerWaalsContact O-CE2 3.32Å; K351-F353 WeakPolarHBondContact O-CE2 3.45Å
352	S	91.3	Very high	89.6	Confident	43 Å²	43	67.7 Å²	67.7	30%	0.301	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.1	-176.8	-46.4	0	0	0	0	113.7	K342 Y344 Q345	K342-S352 WeakPolarHBondContact CD-O 3.29Å; K342-S352 WeakPolarHBondContact O-CB 3.36Å; Y344-S352 CarbonylContact O-C 3.51Å; Y344-S352 WeakPolarHBondContact O-CA 3.37Å; Q345-S352 WeakPolarHBondContact CG-OG 3.44Å
353	F	91.1	Very high	89.6	Confident	49 Å²	49	65.8 Å²	65.8	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.8	-175	-58.6	-93.1	0	0	0	111.3	K342 Y344 C346 K351 Q355 A358 L359 H362	K342-F353 CarbonylContact C-O 3.51Å; K342-F353 VanDerWaalsContact CA-O 3.23Å; K342-F353 WeakPolarHBondContact CA-O 3.22Å; Y344-F353 WeakPolarHBondContact CD2-O 3.45Å; Y344-F353 PolarHBondContact N-O 2.96Å; Y344-F353 PolarHBondContact O-N 3.49Å; C346-F353 HydrophobicContact CB-CE2 4.45Å; K351-F353 HydrophobicContact CB-CE2 4.07Å; K351-F353 HydrophobicContact CB-CZ 4.31Å; K351-F353 VanDerWaalsContact O-CE2 3.32Å; K351-F353 WeakPolarHBondContact O-CE2 3.45Å; F353-Q355 VanDerWaalsContact C-N 3.3Å; F353-A358 HydrophobicContact CB-CB 4.16Å; F353-A358 HydrophobicContact CD1-CB 3.9Å; F353-A358 HydrophobicContact CG-CB 4.28Å; F353-L359 HydrophobicContact CB-CB 4.47Å; F353-L359 HydrophobicContact CD2-CB 4Å; F353-L359 HydrophobicContact CD2-CD1 4.03Å; F353-L359 HydrophobicContact CE2-CD1 4.18Å; F353-L359 HydrophobicContact CG-CB 4.4Å; F353-H362 HydrophobicContact CE1-CB 4.13Å; F353-H362 HydrophobicContact CE2-CB 4.01Å; F353-H362 AromaticContact CE2-CD2 3.36Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.4Å; F353-H362 AromaticContact CE2-CG 3.85Å; F353-H362 HydrophobicContact CZ-CB 3.57Å; F353-H362 AromaticContact CZ-CD2 3.36Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.3Å; F353-H362 AromaticContact CZ-CG 3.43Å; F353-H362 VanDerWaalsContact CZ-CG 3.43Å
354	S	88.7	Confident	89.7	Confident	33 Å²	33	64.5 Å²	64.5	23%	0.231	36%	0.356	C	S	.	.	S	Bend	trans	-78.1	-12.4	177.3	55	0	0	0	0	114	R336 E341	R336-S354 PolarHBondContact NH1-O 2.97Å; E341-S354 WeakPolarHBondContact O-CA 3.45Å; E341-S354 WeakPolarHBondContact O-CB 3.37Å
355	Q	88.7	Confident	89.6	Confident	87 Å²	87	63.6 Å²	63.6	41%	0.407	36%	0.359	S	S	.	.	S	Bend	trans	-136.9	135.6	-177.9	-59.9	179.5	2.4	0	0	111.2	F353 A357 A358 L359	F353-Q355 VanDerWaalsContact C-N 3.3Å; Q355-A357 PolarHBondContact O-N 3.31Å; Q355-A358 HydrophobicContact CB-CB 4.35Å; Q355-A358 WeakPolarHBondContact O-CB 3.26Å; Q355-A358 PolarHBondContact O-N 2.76Å; Q355-L359 PolarHBondContact O-N 3.14Å
356	S	89.3	Confident	89.3	Confident	62 Å²	62	63.3 Å²	63.3	43%	0.434	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-42.2	178.2	51.9	0	0	0	0	112.6	Y344 A358 L359 V360	Y344-S356 VanDerWaalsContact CD2-N 3.26Å; S356-A358 PolarHBondContact O-N 3.41Å; S356-A358 VanDerWaalsContact O-N 3.15Å; S356-L359 WeakPolarHBondContact O-CA 3.33Å; S356-L359 WeakPolarHBondContact O-CB 3.43Å; S356-L359 PolarHBondContact O-N 3.02Å; S356-V360 PolarHBondContact O-N 3.39Å
357	A	88	Confident	89.1	Confident	51 Å²	51	67.2 Å²	67.2	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-20.4	176.8	0	0	0	0	0	113.8	Q355 K361	Q355-A357 PolarHBondContact O-N 3.31Å; A357-K361 VanDerWaalsContact O-CD 3.31Å; A357-K361 WeakPolarHBondContact O-CD 3.46Å; A357-K361 WeakPolarHBondContact O-CG 3.44Å; A357-K361 PolarHBondContact O-N 2.91Å
358	A	89.8	Confident	88.9	Confident	33 Å²	33	60.9 Å²	60.9	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-81.1	-38	171.7	0	0	0	0	0	111.6	F353 Q355 S356 K361 H362	F353-A358 HydrophobicContact CB-CB 4.16Å; F353-A358 HydrophobicContact CD1-CB 3.9Å; F353-A358 HydrophobicContact CG-CB 4.28Å; Q355-A358 HydrophobicContact CB-CB 4.35Å; Q355-A358 WeakPolarHBondContact O-CB 3.26Å; Q355-A358 PolarHBondContact O-N 2.76Å; S356-A358 PolarHBondContact O-N 3.41Å; S356-A358 VanDerWaalsContact O-N 3.15Å; A358-K361 PolarHBondContact O-N 3.46Å; A358-H362 WeakPolarHBondContact O-CB 3.28Å; A358-H362 PolarHBondContact O-N 3.09Å
359	L	91.9	Very high	89.1	Confident	22 Å²	22	61.5 Å²	61.5	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-47.9	171.3	172.5	60	0	0	0	111.4	C346 F353 Q355 S356 K361 H362 Q363	C346-L359 HydrophobicContact CB-CD1 3.47Å; C346-L359 VanDerWaalsContact CB-CD1 3.47Å; F353-L359 HydrophobicContact CB-CB 4.47Å; F353-L359 HydrophobicContact CD2-CB 4Å; F353-L359 HydrophobicContact CD2-CD1 4.03Å; F353-L359 HydrophobicContact CE2-CD1 4.18Å; F353-L359 HydrophobicContact CG-CB 4.4Å; Q355-L359 PolarHBondContact O-N 3.14Å; S356-L359 WeakPolarHBondContact O-CA 3.33Å; S356-L359 WeakPolarHBondContact O-CB 3.43Å; S356-L359 PolarHBondContact O-N 3.02Å; L359-K361 PolarHBondContact O-N 2.8Å; L359-H362 CarbonylContact O-C 3.52Å; L359-H362 WeakPolarHBondContact O-CA 3.44Å; L359-H362 WeakPolarHBondContact O-CB 3.34Å; L359-H362 PolarHBondContact O-N 3.27Å; L359-Q363 HydrophobicContact CD1-CG 4.11Å; L359-Q363 HydrophobicContact CG-CG 4.46Å; L359-Q363 PolarHBondContact O-N 3.29Å
360	V	90	Very high	89.2	Confident	74 Å²	74	63.9 Å²	63.9	45%	0.448	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-43.5	178.4	176.5	0	0	0	0	111.6	S356 H362 Q363	S356-V360 PolarHBondContact O-N 3.39Å; V360-H362 PolarHBondContact O-N 3.07Å; V360-Q363 PolarHBondContact O-N 2.64Å
361	K	89.9	Confident	89.4	Confident	106 Å²	106	65.2 Å²	65.2	46%	0.461	36%	0.357	S	S	.	.	H	α-helix	trans	-64.1	-24.5	173.9	-71.6	170.7	-169	177.3	0	113.2	A357 A358 L359	A357-K361 VanDerWaalsContact O-CD 3.31Å; A357-K361 WeakPolarHBondContact O-CD 3.46Å; A357-K361 WeakPolarHBondContact O-CG 3.44Å; A357-K361 PolarHBondContact O-N 2.91Å; A358-K361 PolarHBondContact O-N 3.46Å; L359-K361 PolarHBondContact O-N 2.8Å
362	H	90.9	Very high	89.5	Confident	25 Å²	25	62.9 Å²	62.9	12%	0.116	35%	0.345	C	S	.	.	H	α-helix	trans	-83.8	-35	174.2	173.6	47.3	0	0	0	112.9	C349 F353 A358 L359 V360 R364 T365 H366	C349-H362 PolarHBondContact SG-NE2 3.27Å; F353-H362 HydrophobicContact CE1-CB 4.13Å; F353-H362 HydrophobicContact CE2-CB 4.01Å; F353-H362 AromaticContact CE2-CD2 3.36Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.4Å; F353-H362 AromaticContact CE2-CG 3.85Å; F353-H362 HydrophobicContact CZ-CB 3.57Å; F353-H362 AromaticContact CZ-CD2 3.36Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.3Å; F353-H362 AromaticContact CZ-CG 3.43Å; F353-H362 VanDerWaalsContact CZ-CG 3.43Å; A358-H362 WeakPolarHBondContact O-CB 3.28Å; A358-H362 PolarHBondContact O-N 3.09Å; L359-H362 CarbonylContact O-C 3.52Å; L359-H362 WeakPolarHBondContact O-CA 3.44Å; L359-H362 WeakPolarHBondContact O-CB 3.34Å; L359-H362 PolarHBondContact O-N 3.27Å; V360-H362 PolarHBondContact O-N 3.07Å; H362-R364 PolarHBondContact O-N 3.1Å; H362-T365 PolarHBondContact CE1-OG1 2.97Å; H362-T365 VanDerWaalsContact CE1-OG1 3.25Å; H362-T365 PolarHBondContact ND1-OG1 3.48Å; H362-T365 WeakPolarHBondContact O-CA 3.45Å; H362-T365 WeakPolarHBondContact O-CB 3.49Å; H362-T365 PolarHBondContact O-N 3Å; H362-T365 PolarHBondContact O-OG1 3.48Å; H362-H366 AromaticContact CE1-CE1 3.89Å; H362-H366 AromaticContact CE1-NE2 3.48Å; H362-H366 PolarHBondContact CE1-NE2 2.7Å; H362-H366 AromaticContact NE2-CE1 3.95Å; H362-H366 AromaticContact NE2-NE2 3.23Å; H362-H366 PolarHBondContact NE2-NE2 2.95Å
363	Q	90.1	Very high	89.5	Confident	87 Å²	87	63.5 Å²	63.5	41%	0.407	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-36	177.8	-75.7	167.7	-63.1	0	0	111.9	L359 V360 T365 H366 T367	L359-Q363 HydrophobicContact CD1-CG 4.11Å; L359-Q363 HydrophobicContact CG-CG 4.46Å; L359-Q363 PolarHBondContact O-N 3.29Å; V360-Q363 PolarHBondContact O-N 2.64Å; Q363-T365 PolarHBondContact O-N 3.26Å; Q363-H366 WeakPolarHBondContact O-CB 3.39Å; Q363-H366 PolarHBondContact O-N 3.33Å; Q363-T367 PolarHBondContact O-N 3.41Å; Q363-T367 VanDerWaalsContact O-N 3.14Å; Q363-T367 PolarHBondContact O-OG1 3.43Å
364	R	90.6	Very high	89.3	Confident	45 Å²	45	61.3 Å²	61.3	17%	0.17	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-17	169.5	-63.4	-173.3	177.6	160.7	2.5	115.4	H362 T367 G368 E369 Y372 R382	H362-R364 PolarHBondContact O-N 3.1Å; R364-T367 WeakPolarHBondContact CA-OG1 3.5Å; R364-G368 CarbonylContact O-C 3.56Å; R364-G368 PolarHBondContact O-N 2.9Å; R364-E369 HydrophobicContact CB-CB 4.13Å; R364-E369 HydrophobicContact CG-CB 3.95Å; R364-E369 IonicContact NE-OE2 2.96Å; R364-E369 PolarHBondContact NE-OE2 3.34Å; R364-Y372 PolarHBondContact NH1-OH 3.29Å; R364-R382 PolarHBondContact NH1-O 2.88Å; R364-R382 VanDerWaalsContact O-CD 3.31Å; R364-R382 WeakPolarHBondContact O-CD 3.48Å; R364-R382 PolarHBondContact O-NE 3.45Å; R364-R382 VanDerWaalsContact O-NE 3.1Å
365	T	89.4	Confident	88.9	Confident	65 Å²	65	64.9 Å²	64.9	40%	0.399	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.6	173.8	69	0	0	0	0	113.5	H362 Q363	H362-T365 PolarHBondContact CE1-OG1 2.97Å; H362-T365 VanDerWaalsContact CE1-OG1 3.25Å; H362-T365 PolarHBondContact ND1-OG1 3.48Å; H362-T365 WeakPolarHBondContact O-CA 3.45Å; H362-T365 WeakPolarHBondContact O-CB 3.49Å; H362-T365 PolarHBondContact O-N 3Å; H362-T365 PolarHBondContact O-OG1 3.48Å; Q363-T365 PolarHBondContact O-N 3.26Å
366	H	86.9	Confident	88.3	Confident	88 Å²	88	65.5 Å²	65.5	41%	0.407	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-47.1	173.1	-55.2	-60.1	0	0	0	111.6	C346 C349 H362 Q363 G368	C346-H366 PolarHBondContact SG-NE2 2.75Å; C346-H366 VanDerWaalsContact SG-NE2 3.38Å; C349-H366 PolarHBondContact SG-NE2 3.16Å; H362-H366 AromaticContact CE1-CE1 3.89Å; H362-H366 AromaticContact CE1-NE2 3.48Å; H362-H366 PolarHBondContact CE1-NE2 2.7Å; H362-H366 AromaticContact NE2-CE1 3.95Å; H362-H366 AromaticContact NE2-NE2 3.23Å; H362-H366 PolarHBondContact NE2-NE2 2.95Å; Q363-H366 WeakPolarHBondContact O-CB 3.39Å; Q363-H366 PolarHBondContact O-N 3.33Å; H366-G368 PolarHBondContact O-N 3.5Å
367	T	86.3	Confident	87.8	Confident	86 Å²	86	65.8 Å²	65.8	53%	0.528	37%	0.37	S	S	.	.	S	Bend	trans	-74.3	-4.3	-179	56.8	0	0	0	0	114.2	Q363 R364 E369	Q363-T367 PolarHBondContact O-N 3.41Å; Q363-T367 VanDerWaalsContact O-N 3.14Å; Q363-T367 PolarHBondContact O-OG1 3.43Å; R364-T367 WeakPolarHBondContact CA-OG1 3.5Å; T367-E369 VanDerWaalsContact CB-OE1 3.3Å; T367-E369 WeakPolarHBondContact CB-OE1 3.37Å; T367-E369 PolarHBondContact O-N 3.27Å; T367-E369 VanDerWaalsContact OG1-CD 3.31Å; T367-E369 WeakPolarHBondContact OG1-CG 3.31Å; T367-E369 PolarHBondContact OG1-OE1 3Å
368	G	86.8	Confident	87.6	Confident	32 Å²	32	65.8 Å²	65.8	33%	0.33	38%	0.375	S	S	.	.			trans	83.5	-41.1	-178.6	0	0	0	0	0	113.9	R364 H366 R382	R364-G368 CarbonylContact O-C 3.56Å; R364-G368 PolarHBondContact O-N 2.9Å; H366-G368 PolarHBondContact O-N 3.5Å; G368-R382 PolarHBondContact O-NE 2.67Å; G368-R382 PolarHBondContact O-NH2 2.91Å
369	E	88	Confident	87.4	Confident	88 Å²	88	68.7 Å²	68.7	41%	0.411	38%	0.382	S	S	.	.			trans	-17.2	121	-176.9	-80.6	171.7	-111.3	0	0	116.4	R364 T367 P371 R382	R364-E369 HydrophobicContact CB-CB 4.13Å; R364-E369 HydrophobicContact CG-CB 3.95Å; R364-E369 IonicContact NE-OE2 2.96Å; R364-E369 PolarHBondContact NE-OE2 3.34Å; T367-E369 VanDerWaalsContact CB-OE1 3.3Å; T367-E369 WeakPolarHBondContact CB-OE1 3.37Å; T367-E369 PolarHBondContact O-N 3.27Å; T367-E369 VanDerWaalsContact OG1-CD 3.31Å; T367-E369 WeakPolarHBondContact OG1-CG 3.31Å; T367-E369 PolarHBondContact OG1-OE1 3Å; E369-P371 HydrophobicContact CB-CG 4.37Å; E369-R382 WeakPolarHBondContact O-CG 3.11Å
370	K	90.4	Very high	87.3	Confident	100 Å²	100	69.6 Å²	69.6	44%	0.435	39%	0.39	S	S	.	.			trans	-123.2	69.4	174.2	-70.3	169.3	142.6	-142.7	0	111.4	Y372 E379 C380 F381 R382	K370-Y372 PolarHBondContact O-N 2.72Å; K370-E379 IonicContact NZ-OE2 2.73Å; K370-E379 PolarHBondContact NZ-OE2 3.15Å; K370-C380 HydrophobicContact CB-CB 3.57Å; K370-C380 HydrophobicContact CD-CB 3.83Å; K370-C380 WeakPolarHBondContact CD-O 3.34Å; K370-C380 WeakPolarHBondContact CE-O 3.46Å; K370-C380 HydrophobicContact CG-CB 4.31Å; K370-C380 WeakPolarHBondContact CG-O 3.42Å; K370-C380 PolarHBondContact NZ-O 2.99Å; K370-F381 CarbonylContact C-O 3.59Å; K370-F381 VanDerWaalsContact CA-O 3.29Å; K370-F381 WeakPolarHBondContact CA-O 3.24Å; K370-R382 HydrophobicContact CG-CG 4.11Å
371	P	89.4	Confident	87.3	Confident	68 Å²	68	68.1 Å²	68.1	44%	0.442	38%	0.378	S	S	.	.			trans	-72.3	5	-167.1	-19.9	35.6	0	0	0	116.9	E369	E369-P371 HydrophobicContact CB-CG 4.37Å
372	Y	92.5	Very high	87.3	Confident	77 Å²	77	67.4 Å²	67.4	30%	0.302	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	90	-177	-52.6	-77.6	0	0	0	109.3	R364 K370 F381 S384	R364-Y372 PolarHBondContact NH1-OH 3.29Å; K370-Y372 PolarHBondContact O-N 2.72Å; Y372-F381 WeakPolarHBondContact CD2-O 3.43Å; Y372-F381 PolarHBondContact N-O 2.75Å; Y372-F381 VanDerWaalsContact N-O 3.11Å; Y372-F381 PolarHBondContact O-N 3.23Å; Y372-S384 VanDerWaalsContact CD2-N 3.29Å
373	A	90.8	Very high	87.3	Confident	55 Å²	55	69.1 Å²	69.1	46%	0.455	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	146.7	175.4	0	0	0	0	0	111.8	E379 C380 L387	A373-E379 CarbonylContact C-O 3.58Å; A373-C380 VanDerWaalsContact CB-SG 3.59Å; A373-L387 VanDerWaalsContact O-CD2 3.3Å; A373-L387 WeakPolarHBondContact O-CD2 3.49Å
374	C	86.4	Confident	87.3	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.02	38%	0.381	C	S	.	.			trans	-84.9	124	168.7	-175.1	0	0	0	0	110.2	E376 G378 E379 L387 H394	C374-E376 PolarHBondContact O-N 2.97Å; C374-G378 VanDerWaalsContact O-CA 3.28Å; C374-G378 WeakPolarHBondContact O-CA 3.28Å; C374-G378 PolarHBondContact O-N 3.09Å; C374-E379 WeakPolarHBondContact CB-O 3.47Å; C374-E379 PolarHBondContact N-O 3.03Å; C374-L387 HydrophobicContact CB-CD1 3.74Å; C374-H394 PolarHBondContact SG-CD2 3.14Å; C374-H394 PolarHBondContact SG-NE2 3.34Å
375	P	81.6	Confident	87.1	Confident	108 Å²	108	69 Å²	69	70%	0.701	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.3	179.4	28.4	-34.4	0	0	0	113.2
376	E	75.8	Confident	87.1	Confident	101 Å²	101	69 Å²	69	47%	0.472	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-24.2	-173.1	-64.5	156.5	-81.4	0	0	113.3	C374 H394	C374-E376 PolarHBondContact O-N 2.97Å; E376-H394 HydrophobicContact CB-CB 4.42Å; E376-H394 IonicContact OE1-CD2 3.68Å; E376-H394 WeakPolarHBondContact OE2-CB 3.26Å; E376-H394 IonicContact OE2-CG 3.32Å
377	C	78.3	Confident	87.2	Confident	68 Å²	68	65.7 Å²	65.7	46%	0.459	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.9	11.6	179.6	75.9	0	0	0	0	115.3	E379 H390 H394	C377-E379 PolarHBondContact O-N 3.31Å; C377-H390 PolarHBondContact SG-NE2 2.93Å; C377-H394 PolarHBondContact SG-CE1 3.1Å; C377-H394 PolarHBondContact SG-NE2 3.42Å
378	G	83.2	Confident	87	Confident	50 Å²	50	64.6 Å²	64.6	52%	0.515	37%	0.372	S	S	.	.			trans	72.1	-9.6	177.8	0	0	0	0	0	116.2	C374 C380	C374-G378 VanDerWaalsContact O-CA 3.28Å; C374-G378 WeakPolarHBondContact O-CA 3.28Å; C374-G378 PolarHBondContact O-N 3.09Å; G378-C380 PolarHBondContact O-N 3.33Å; G378-C380 PolarHBondContact O-SG 3.01Å
379	E	85.6	Confident	86.7	Confident	94 Å²	94	69.7 Å²	69.7	44%	0.439	38%	0.381	S	S	.	.			trans	-62.2	131.7	-176.5	-102.5	-69.5	-165.5	0	0	112.6	K370 A373 C374 C377 F381	K370-E379 IonicContact NZ-OE2 2.73Å; K370-E379 PolarHBondContact NZ-OE2 3.15Å; A373-E379 CarbonylContact C-O 3.58Å; C374-E379 WeakPolarHBondContact CB-O 3.47Å; C374-E379 PolarHBondContact N-O 3.03Å; C377-E379 PolarHBondContact O-N 3.31Å; E379-F381 HydrophobicContact CB-CE2 3.87Å; E379-F381 HydrophobicContact CB-CZ 4.09Å; E379-F381 WeakPolarHBondContact O-CD2 3.32Å; E379-F381 VanDerWaalsContact O-CE2 3.25Å; E379-F381 WeakPolarHBondContact O-CE2 3.32Å
380	C	90.6	Very high	86.4	Confident	41 Å²	41	67 Å²	67	28%	0.277	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.7	-168.6	-71.8	0	0	0	0	111.3	K370 A373 G378	K370-C380 HydrophobicContact CB-CB 3.57Å; K370-C380 HydrophobicContact CD-CB 3.83Å; K370-C380 WeakPolarHBondContact CD-O 3.34Å; K370-C380 WeakPolarHBondContact CE-O 3.46Å; K370-C380 HydrophobicContact CG-CB 4.31Å; K370-C380 WeakPolarHBondContact CG-O 3.42Å; K370-C380 PolarHBondContact NZ-O 2.99Å; A373-C380 VanDerWaalsContact CB-SG 3.59Å; G378-C380 PolarHBondContact O-N 3.33Å; G378-C380 PolarHBondContact O-SG 3.01Å
381	F	90.8	Very high	85.8	Confident	43 Å²	43	65.1 Å²	65.1	19%	0.189	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.2	-174.6	-61.6	-88.9	0	0	0	112.7	K370 Y372 E379 Q383 H386 L387 H390	K370-F381 CarbonylContact C-O 3.59Å; K370-F381 VanDerWaalsContact CA-O 3.29Å; K370-F381 WeakPolarHBondContact CA-O 3.24Å; Y372-F381 WeakPolarHBondContact CD2-O 3.43Å; Y372-F381 PolarHBondContact N-O 2.75Å; Y372-F381 VanDerWaalsContact N-O 3.11Å; Y372-F381 PolarHBondContact O-N 3.23Å; E379-F381 HydrophobicContact CB-CE2 3.87Å; E379-F381 HydrophobicContact CB-CZ 4.09Å; E379-F381 WeakPolarHBondContact O-CD2 3.32Å; E379-F381 VanDerWaalsContact O-CE2 3.25Å; E379-F381 WeakPolarHBondContact O-CE2 3.32Å; F381-Q383 VanDerWaalsContact C-N 3.32Å; F381-Q383 PolarHBondContact O-N 3.28Å; F381-H386 HydrophobicContact CB-CB 4.19Å; F381-H386 HydrophobicContact CD1-CB 3.86Å; F381-H386 HydrophobicContact CG-CB 4.29Å; F381-L387 HydrophobicContact CB-CB 4.29Å; F381-L387 HydrophobicContact CD2-CB 4Å; F381-L387 HydrophobicContact CD2-CD1 3.97Å; F381-L387 HydrophobicContact CE2-CD1 4.23Å; F381-L387 HydrophobicContact CG-CB 4.3Å; F381-H390 HydrophobicContact CE1-CB 4.06Å; F381-H390 HydrophobicContact CE2-CB 3.95Å; F381-H390 AromaticContact CE2-CD2 3.16Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.43Å; F381-H390 AromaticContact CE2-CG 3.65Å; F381-H390 AromaticContact CE2-NE2 3.84Å; F381-H390 HydrophobicContact CZ-CB 3.54Å; F381-H390 AromaticContact CZ-CD2 3.32Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.22Å; F381-H390 AromaticContact CZ-CG 3.32Å; F381-H390 AromaticContact CZ-ND1 3.96Å; F381-H390 AromaticContact CZ-NE2 3.91Å
382	R	89.3	Confident	85	Confident	91 Å²	91	66.6 Å²	66.6	34%	0.343	36%	0.358	S	S	.	.	S	Bend	trans	-75.9	-16.8	177.8	-50.8	-157.5	163	140.9	-5.5	114.4	R364 G368 E369 K370	R364-R382 PolarHBondContact NH1-O 2.88Å; R364-R382 VanDerWaalsContact O-CD 3.31Å; R364-R382 WeakPolarHBondContact O-CD 3.48Å; R364-R382 PolarHBondContact O-NE 3.45Å; R364-R382 VanDerWaalsContact O-NE 3.1Å; G368-R382 PolarHBondContact O-NE 2.67Å; G368-R382 PolarHBondContact O-NH2 2.91Å; E369-R382 WeakPolarHBondContact O-CG 3.11Å; K370-R382 HydrophobicContact CG-CG 4.11Å
383	Q	90.8	Very high	84	Confident	62 Å²	62	66.3 Å²	66.3	29%	0.29	37%	0.365	S	S	.	.	S	Bend	trans	-142.3	137.9	-175.6	-59.8	-173.2	14.1	0	0	110.6	F381 S385 H386 L387	F381-Q383 VanDerWaalsContact C-N 3.32Å; F381-Q383 PolarHBondContact O-N 3.28Å; Q383-S385 VanDerWaalsContact C-N 3.3Å; Q383-S385 PolarHBondContact O-N 2.98Å; Q383-H386 WeakPolarHBondContact O-CB 3.44Å; Q383-H386 PolarHBondContact O-N 3.47Å; Q383-L387 PolarHBondContact O-N 3.33Å
384	S	89.6	Confident	82.9	Confident	60 Å²	60	67 Å²	67	42%	0.42	36%	0.358	S	S	.	.	H	α-helix	trans	-60	-37.9	179.4	50.9	0	0	0	0	112.7	Y372 H386 L387 S388	Y372-S384 VanDerWaalsContact CD2-N 3.29Å; S384-H386 PolarHBondContact O-N 3.12Å; S384-H386 VanDerWaalsContact O-N 3.15Å; S384-L387 CarbonylContact O-C 3.5Å; S384-L387 WeakPolarHBondContact O-CB 3.45Å; S384-L387 PolarHBondContact O-N 2.99Å; S384-S388 PolarHBondContact O-N 2.73Å; S384-S388 PolarHBondContact O-OG 3.31Å
385	S	86.7	Confident	81.9	Confident	68 Å²	68	69.6 Å²	69.6	48%	0.476	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-21.1	174.1	56	0	0	0	0	114.3	Q383 R389	Q383-S385 VanDerWaalsContact C-N 3.3Å; Q383-S385 PolarHBondContact O-N 2.98Å; S385-R389 PolarHBondContact O-N 3.46Å
386	H	89.5	Confident	80.6	Confident	66 Å²	66	69.1 Å²	69.1	31%	0.306	38%	0.379	S	S	.	.	H	α-helix	trans	-84.4	-40.9	172	-68.5	178.7	0	0	0	111.3	F381 Q383 S384 R389 H390	F381-H386 HydrophobicContact CB-CB 4.19Å; F381-H386 HydrophobicContact CD1-CB 3.86Å; F381-H386 HydrophobicContact CG-CB 4.29Å; Q383-H386 WeakPolarHBondContact O-CB 3.44Å; Q383-H386 PolarHBondContact O-N 3.47Å; S384-H386 PolarHBondContact O-N 3.12Å; S384-H386 VanDerWaalsContact O-N 3.15Å; H386-R389 PolarHBondContact CD2-NH2 2.79Å; H386-R389 PolarHBondContact NE2-NH2 2.92Å; H386-R389 PolarHBondContact O-N 3.2Å; H386-H390 WeakPolarHBondContact O-CB 3.24Å; H386-H390 PolarHBondContact O-N 2.9Å
387	L	87.9	Confident	79.6	Confident	19 Å²	19	68 Å²	68	10%	0.099	37%	0.374	C	S	.	.	H	α-helix	trans	-58.2	-50.9	170.7	173	60.9	0	0	0	111.1	A373 C374 F381 Q383 S384 R389 H390 Q391	A373-L387 VanDerWaalsContact O-CD2 3.3Å; A373-L387 WeakPolarHBondContact O-CD2 3.49Å; C374-L387 HydrophobicContact CB-CD1 3.74Å; F381-L387 HydrophobicContact CB-CB 4.29Å; F381-L387 HydrophobicContact CD2-CB 4Å; F381-L387 HydrophobicContact CD2-CD1 3.97Å; F381-L387 HydrophobicContact CE2-CD1 4.23Å; F381-L387 HydrophobicContact CG-CB 4.3Å; Q383-L387 PolarHBondContact O-N 3.33Å; S384-L387 CarbonylContact O-C 3.5Å; S384-L387 WeakPolarHBondContact O-CB 3.45Å; S384-L387 PolarHBondContact O-N 2.99Å; L387-R389 PolarHBondContact O-N 2.72Å; L387-R389 VanDerWaalsContact O-N 3.11Å; L387-H390 CarbonylContact O-C 3.59Å; L387-H390 WeakPolarHBondContact O-CA 3.36Å; L387-H390 WeakPolarHBondContact O-CB 3.47Å; L387-H390 PolarHBondContact O-N 3.25Å; L387-Q391 HydrophobicContact CD1-CG 3.73Å; L387-Q391 HydrophobicContact CG-CG 4.16Å; L387-Q391 PolarHBondContact O-N 3.48Å
388	S	83.8	Confident	78.9	Confident	62 Å²	62	72.2 Å²	72.2	43%	0.434	39%	0.385	S	S	.	.	H	α-helix	trans	-68.5	-9.3	178.4	-47.9	0	0	0	0	114.3	S384 R392	S384-S388 PolarHBondContact O-N 2.73Å; S384-S388 PolarHBondContact O-OG 3.31Å; S388-R392 WeakPolarHBondContact O-CD 2.94Å; S388-R392 WeakPolarHBondContact O-CG 3.02Å; S388-R392 PolarHBondContact O-NE 3.18Å
389	R	79.7	Confident	78.2	Confident	139 Å²	139	75.8 Å²	75.8	53%	0.525	38%	0.384	S	S	.	.	H	α-helix	trans	-89.7	-25.6	166.2	-177.2	177.6	64	-142.9	-8.3	112	S385 H386 L387	S385-R389 PolarHBondContact O-N 3.46Å; H386-R389 PolarHBondContact CD2-NH2 2.79Å; H386-R389 PolarHBondContact NE2-NH2 2.92Å; H386-R389 PolarHBondContact O-N 3.2Å; L387-R389 PolarHBondContact O-N 2.72Å; L387-R389 VanDerWaalsContact O-N 3.11Å
390	H	81.8	Confident	77.6	Confident	33 Å²	33	76 Å²	76	15%	0.153	38%	0.381	C	S	.	.	H	α-helix	trans	-87.1	-39.3	179	166.8	63.8	0	0	0	113	C377 F381 H386 L387 R392 T393 H394	C377-H390 PolarHBondContact SG-NE2 2.93Å; F381-H390 HydrophobicContact CE1-CB 4.06Å; F381-H390 HydrophobicContact CE2-CB 3.95Å; F381-H390 AromaticContact CE2-CD2 3.16Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.43Å; F381-H390 AromaticContact CE2-CG 3.65Å; F381-H390 AromaticContact CE2-NE2 3.84Å; F381-H390 HydrophobicContact CZ-CB 3.54Å; F381-H390 AromaticContact CZ-CD2 3.32Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.22Å; F381-H390 AromaticContact CZ-CG 3.32Å; F381-H390 AromaticContact CZ-ND1 3.96Å; F381-H390 AromaticContact CZ-NE2 3.91Å; H386-H390 WeakPolarHBondContact O-CB 3.24Å; H386-H390 PolarHBondContact O-N 2.9Å; L387-H390 CarbonylContact O-C 3.59Å; L387-H390 WeakPolarHBondContact O-CA 3.36Å; L387-H390 WeakPolarHBondContact O-CB 3.47Å; L387-H390 PolarHBondContact O-N 3.25Å; H390-R392 PolarHBondContact O-N 2.92Å; H390-R392 VanDerWaalsContact O-N 3.09Å; H390-T393 WeakPolarHBondContact O-CB 3.39Å; H390-T393 PolarHBondContact O-N 3.47Å; H390-T393 PolarHBondContact O-OG1 3.5Å; H390-H394 AromaticContact CD2-NE2 3.86Å; H390-H394 AromaticContact CE1-CE1 3.44Å; H390-H394 PolarHBondContact CE1-CE1 2.9Å; H390-H394 VanDerWaalsContact CE1-CE1 3.44Å; H390-H394 AromaticContact CE1-NE2 3.21Å; H390-H394 PolarHBondContact CE1-NE2 3.33Å; H390-H394 AromaticContact NE2-CE1 3.76Å; H390-H394 AromaticContact NE2-NE2 3.07Å; H390-H394 PolarHBondContact NE2-NE2 2.95Å
391	Q	76.8	Confident	77	Confident	60 Å²	60	80.8 Å²	80.8	28%	0.28	40%	0.397	S	S	.	.	H	α-helix	trans	-55.5	-31.6	172.2	-67.2	175.1	-77.5	0	0	111.5	L387 T393 H394 A395	L387-Q391 HydrophobicContact CD1-CG 3.73Å; L387-Q391 HydrophobicContact CG-CG 4.16Å; L387-Q391 PolarHBondContact O-N 3.48Å; Q391-T393 PolarHBondContact O-N 3.36Å; Q391-H394 PolarHBondContact O-N 3.02Å; Q391-A395 WeakPolarHBondContact O-CB 3.21Å; Q391-A395 PolarHBondContact O-N 3.17Å
392	R	74.3	Confident	76.7	Confident	98 Å²	98	78.8 Å²	78.8	37%	0.37	39%	0.388	S	S	.	.	H	α-helix	trans	-68.3	-11.2	174	-68	-174.8	-52.6	111.8	-11.9	114.8	S388 H390 E397	S388-R392 WeakPolarHBondContact O-CD 2.94Å; S388-R392 WeakPolarHBondContact O-CG 3.02Å; S388-R392 PolarHBondContact O-NE 3.18Å; H390-R392 PolarHBondContact O-N 2.92Å; H390-R392 VanDerWaalsContact O-N 3.09Å; R392-E397 HydrophobicContact CB-CG 3.93Å; R392-E397 WeakPolarHBondContact CB-OE2 3.46Å; R392-E397 VanDerWaalsContact CD-CD 3.47Å; R392-E397 VanDerWaalsContact CD-OE1 3.24Å; R392-E397 WeakPolarHBondContact CD-OE1 3.47Å; R392-E397 WeakPolarHBondContact CD-OE2 3.47Å; R392-E397 HydrophobicContact CG-CG 4.18Å; R392-E397 IonicContact CZ-OE2 3.3Å; R392-E397 IonicContact NE-OE2 2.82Å; R392-E397 IonicContact NH1-OE2 2.63Å; R392-E397 PolarHBondContact NH1-OE2 3.35Å; R392-E397 WeakPolarHBondContact O-CB 3.45Å
393	T	70.9	Confident	76.5	Confident	72 Å²	72	83.2 Å²	83.2	44%	0.442	41%	0.413	S	S	.	.	H	α-helix	trans	-83.4	-23.5	167.5	64.9	0	0	0	0	112.9	H390 Q391 Y399	H390-T393 WeakPolarHBondContact O-CB 3.39Å; H390-T393 PolarHBondContact O-N 3.47Å; H390-T393 PolarHBondContact O-OG1 3.5Å; Q391-T393 PolarHBondContact O-N 3.36Å; T393-Y399 PolarHBondContact O-OH 3.35Å
394	H	68.1	Low	76.2	Confident	68 Å²	68	85.7 Å²	85.7	32%	0.315	42%	0.424	S	S	.	.	H	α-helix	trans	-89	-44.5	176.6	-54.1	-42	0	0	0	111.8	C374 E376 C377 H390 Q391 S396	C374-H394 PolarHBondContact SG-CD2 3.14Å; C374-H394 PolarHBondContact SG-NE2 3.34Å; E376-H394 HydrophobicContact CB-CB 4.42Å; E376-H394 IonicContact OE1-CD2 3.68Å; E376-H394 WeakPolarHBondContact OE2-CB 3.26Å; E376-H394 IonicContact OE2-CG 3.32Å; C377-H394 PolarHBondContact SG-CE1 3.1Å; C377-H394 PolarHBondContact SG-NE2 3.42Å; H390-H394 AromaticContact CD2-NE2 3.86Å; H390-H394 AromaticContact CE1-CE1 3.44Å; H390-H394 PolarHBondContact CE1-CE1 2.9Å; H390-H394 VanDerWaalsContact CE1-CE1 3.44Å; H390-H394 AromaticContact CE1-NE2 3.21Å; H390-H394 PolarHBondContact CE1-NE2 3.33Å; H390-H394 AromaticContact NE2-CE1 3.76Å; H390-H394 AromaticContact NE2-NE2 3.07Å; H390-H394 PolarHBondContact NE2-NE2 2.95Å; Q391-H394 PolarHBondContact O-N 3.02Å; H394-S396 PolarHBondContact O-N 2.84Å
395	A	64.4	Low	76	Confident	58 Å²	58	85.6 Å²	85.6	48%	0.479	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	36	176.9	0	0	0	0	0	113.9	Q391 E397	Q391-A395 WeakPolarHBondContact O-CB 3.21Å; Q391-A395 PolarHBondContact O-N 3.17Å; A395-E397 PolarHBondContact O-N 3.29Å
396	S	54.7	Low	75.7	Confident	98 Å²	98	83.8 Å²	83.8	69%	0.685	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.9	35.4	167.5	60.6	0	0	0	0	116.2	H394 K398	H394-S396 PolarHBondContact O-N 2.84Å; S396-K398 PolarHBondContact O-N 3.4Å
397	E	55.7	Low	75.1	Confident	78 Å²	78	86 Å²	86	36%	0.364	43%	0.426	S	S	.	.			trans	-64.1	94.5	-176.7	-76.8	-152.5	150.9	0	0	112.1	R392 A395 Y399	R392-E397 HydrophobicContact CB-CG 3.93Å; R392-E397 WeakPolarHBondContact CB-OE2 3.46Å; R392-E397 VanDerWaalsContact CD-CD 3.47Å; R392-E397 VanDerWaalsContact CD-OE1 3.24Å; R392-E397 WeakPolarHBondContact CD-OE1 3.47Å; R392-E397 WeakPolarHBondContact CD-OE2 3.47Å; R392-E397 HydrophobicContact CG-CG 4.18Å; R392-E397 IonicContact CZ-OE2 3.3Å; R392-E397 IonicContact NE-OE2 2.82Å; R392-E397 IonicContact NH1-OE2 2.63Å; R392-E397 PolarHBondContact NH1-OE2 3.35Å; R392-E397 WeakPolarHBondContact O-CB 3.45Å; A395-E397 PolarHBondContact O-N 3.29Å; E397-Y399 PolarHBondContact O-N 2.75Å; E397-Y399 VanDerWaalsContact O-N 3.14Å
398	K	62	Low	74.5	Confident	156 Å²	156	90.2 Å²	90.2	68%	0.678	45%	0.447	S	S	*	.			trans	14.8	84.7	169.7	-71.2	-176.5	177	177.8	0	112.8	S396 Y400	S396-K398 PolarHBondContact O-N 3.4Å; K398-Y400 HydrophobicContact CB-CD2 4.43Å; K398-Y400 HydrophobicContact CB-CE2 3.76Å; K398-Y400 WeakPolarHBondContact O-CD2 3.42Å; K398-Y400 WeakPolarHBondContact O-CE2 3.36Å; K398-Y400 PolarHBondContact O-N 3Å
399	Y	69.4	Low	74.2	Confident	126 Å²	126	89.6 Å²	89.6	49%	0.494	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	126.8	159.3	-59.6	-94.1	0	0	0	107.9	T393 E397 I408	T393-Y399 PolarHBondContact O-OH 3.35Å; E397-Y399 PolarHBondContact O-N 2.75Å; E397-Y399 VanDerWaalsContact O-N 3.14Å; Y399-I408 HydrophobicContact CD1-CG2 4.36Å; Y399-I408 HydrophobicContact CG-CG2 4.1Å
400	Y	72.7	Confident	74	Confident	99 Å²	99	86.2 Å²	86.2	39%	0.388	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.5	179.8	-66.3	-97.9	0	0	0	108.8	K398 F409 I411 L414	K398-Y400 HydrophobicContact CB-CD2 4.43Å; K398-Y400 HydrophobicContact CB-CE2 3.76Å; K398-Y400 WeakPolarHBondContact O-CD2 3.42Å; K398-Y400 WeakPolarHBondContact O-CE2 3.36Å; K398-Y400 PolarHBondContact O-N 3Å; Y400-F409 PolarHBondContact N-O 3.32Å; Y400-F409 PolarHBondContact O-N 3.04Å; Y400-I411 HydrophobicContact CD2-CB 3.75Å; Y400-I411 HydrophobicContact CD2-CG1 4.23Å; Y400-I411 HydrophobicContact CE2-CB 3.74Å; Y400-I411 HydrophobicContact CE2-CD1 4Å; Y400-I411 HydrophobicContact CE2-CG1 4.16Å; Y400-L414 VanDerWaalsContact CB-CD2 3.45Å; Y400-L414 HydrophobicContact CG-CD2 4.38Å
401	K	77.7	Confident	73.7	Confident	141 Å²	141	87.9 Å²	87.9	61%	0.613	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	133.8	171.3	-174.4	174.4	-178.3	-178.6	0	109.3	E403 G406 E407	K401-E403 PolarHBondContact O-N 3.38Å; K401-G406 VanDerWaalsContact CE-CA 3.44Å; K401-E407 CarbonylContact C-O 3.52Å
402	C	85.9	Confident	73.5	Confident	0 Å²	0	88.8 Å²	88.8	0%	0	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-75.3	121	165	-173.7	0	0	0	0	108.8	E404 G406 E407 F409 L414	C402-E404 PolarHBondContact O-N 2.79Å; C402-G406 VanDerWaalsContact O-CA 3.24Å; C402-G406 WeakPolarHBondContact O-CA 3.39Å; C402-G406 PolarHBondContact O-N 2.97Å; C402-E407 PolarHBondContact N-O 3.4Å; C402-F409 HydrophobicContact CB-CD2 4.48Å; C402-F409 HydrophobicContact CB-CE2 4.3Å; C402-L414 HydrophobicContact CB-CD1 3.66Å
403	E	83.6	Confident	73.8	Confident	184 Å²	184	85.7 Å²	85.7	86%	0.86	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.6	-177.3	-65.3	169	154.6	0	0	112.5	K401	K401-E403 PolarHBondContact O-N 3.38Å
404	E	85.1	Confident	74.4	Confident	114 Å²	114	83 Å²	83	53%	0.533	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-23	-174.8	-62.4	-175	-120.5	0	0	115.3	C402 H421	C402-E404 PolarHBondContact O-N 2.79Å; E404-H421 WeakPolarHBondContact CB-CE1 3.29Å; E404-H421 WeakPolarHBondContact CB-ND1 3.4Å; E404-H421 VanDerWaalsContact CD-ND1 3.32Å; E404-H421 WeakPolarHBondContact OE1-CB 3.17Å; E404-H421 IonicContact OE1-CG 3.01Å; E404-H421 IonicContact OE1-ND1 3.26Å; E404-H421 VanDerWaalsContact OE2-CB 3.26Å; E404-H421 WeakPolarHBondContact OE2-CB 3.28Å; E404-H421 IonicContact OE2-CE1 3.92Å; E404-H421 IonicContact OE2-CG 2.67Å; E404-H421 VanDerWaalsContact OE2-CG 3.3Å; E404-H421 IonicContact OE2-ND1 2.68Å; E404-H421 PolarHBondContact OE2-ND1 2.83Å
405	C	85.5	Confident	75	Confident	59 Å²	59	86 Å²	86	40%	0.399	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-5	179.4	62.7	0	0	0	0	114.7	E407 H417 H421	C405-E407 PolarHBondContact O-N 2.9Å; C405-H417 PolarHBondContact SG-NE2 2.73Å; C405-H421 PolarHBondContact SG-NE2 3.42Å; C405-H421 VanDerWaalsContact SG-NE2 3.44Å
406	G	79.4	Confident	75.9	Confident	29 Å²	29	88.6 Å²	88.6	30%	0.299	44%	0.435	S	S	.	.			trans	76.5	-8.5	-179.2	0	0	0	0	0	116.2	K401 C402	K401-G406 VanDerWaalsContact CE-CA 3.44Å; C402-G406 VanDerWaalsContact O-CA 3.24Å; C402-G406 WeakPolarHBondContact O-CA 3.39Å; C402-G406 PolarHBondContact O-N 2.97Å
407	E	78.2	Confident	77.4	Confident	114 Å²	114	85.2 Å²	85.2	53%	0.533	41%	0.408	S	S	.	.			trans	-64.3	147.5	179.1	-73.1	-68.9	168.2	0	0	112.9	K401 C402 C405 F409	K401-E407 CarbonylContact C-O 3.52Å; C402-E407 PolarHBondContact N-O 3.4Å; C405-E407 PolarHBondContact O-N 2.9Å; E407-F409 HydrophobicContact CB-CD2 4.38Å; E407-F409 HydrophobicContact CB-CE2 3.39Å; E407-F409 HydrophobicContact CB-CZ 3.52Å; E407-F409 HydrophobicContact CG-CZ 4.38Å
408	I	75.3	Confident	78.7	Confident	107 Å²	107	83.7 Å²	83.7	55%	0.549	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.4	-165.5	-66.7	179.7	0	0	0	110.6	Y399	Y399-I408 HydrophobicContact CD1-CG2 4.36Å; Y399-I408 HydrophobicContact CG-CG2 4.1Å
409	F	77.5	Confident	79.8	Confident	48 Å²	48	79.3 Å²	79.3	21%	0.211	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.9	-173.5	-56.2	-75.9	0	0	0	113.8	Y400 C402 E407 L414 H417	Y400-F409 PolarHBondContact N-O 3.32Å; Y400-F409 PolarHBondContact O-N 3.04Å; C402-F409 HydrophobicContact CB-CD2 4.48Å; C402-F409 HydrophobicContact CB-CE2 4.3Å; E407-F409 HydrophobicContact CB-CD2 4.38Å; E407-F409 HydrophobicContact CB-CE2 3.39Å; E407-F409 HydrophobicContact CB-CZ 3.52Å; E407-F409 HydrophobicContact CG-CZ 4.38Å; F409-L414 HydrophobicContact CB-CB 4.06Å; F409-L414 HydrophobicContact CD2-CD1 4.03Å; F409-H417 HydrophobicContact CD2-CB 4.23Å; F409-H417 AromaticContact CD2-CG 3.99Å; F409-H417 HydrophobicContact CE2-CB 3.98Å; F409-H417 AromaticContact CE2-CD2 3.48Å; F409-H417 VanDerWaalsContact CE2-CD2 3.48Å; F409-H417 WeakPolarHBondContact CE2-CD2 3.3Å; F409-H417 AromaticContact CE2-CE1 3.54Å; F409-H417 AromaticContact CE2-CG 3.32Å; F409-H417 AromaticContact CE2-ND1 3.36Å; F409-H417 WeakPolarHBondContact CE2-ND1 3.41Å; F409-H417 AromaticContact CE2-NE2 3.63Å; F409-H417 HydrophobicContact CZ-CB 4.2Å; F409-H417 AromaticContact CZ-CE1 3.54Å; F409-H417 AromaticContact CZ-CG 3.58Å; F409-H417 AromaticContact CZ-ND1 3.16Å; F409-H417 WeakPolarHBondContact CZ-ND1 3.5Å
410	H	75.7	Confident	80.4	Confident	68 Å²	68	78 Å²	78	32%	0.315	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	141.6	159	175.5	-90.5	0	0	0	110.2	S412 S413 L414	H410-S412 VanDerWaalsContact C-N 3.31Å; H410-S412 PolarHBondContact CE1-OG 2.9Å; H410-S412 VanDerWaalsContact CE1-OG 3.3Å; H410-S412 PolarHBondContact ND1-N 3.41Å; H410-S412 PolarHBondContact ND1-OG 3.12Å; H410-S412 PolarHBondContact O-N 2.81Å; H410-S412 VanDerWaalsContact O-N 3.07Å; H410-S413 WeakPolarHBondContact O-CA 3.43Å; H410-S413 WeakPolarHBondContact O-CB 3.48Å; H410-S413 PolarHBondContact O-N 2.86Å; H410-L414 PolarHBondContact O-N 3.1Å
411	I	75.7	Confident	80.8	Confident	68 Å²	68	76.4 Å²	76.4	35%	0.349	38%	0.377	S	S	.	.	H	α-helix	trans	-49.5	-41.6	-167.8	-168.5	168.8	0	0	0	115.2	Y400 S413 L414 F415	Y400-I411 HydrophobicContact CD2-CB 3.75Å; Y400-I411 HydrophobicContact CD2-CG1 4.23Å; Y400-I411 HydrophobicContact CE2-CB 3.74Å; Y400-I411 HydrophobicContact CE2-CD1 4Å; Y400-I411 HydrophobicContact CE2-CG1 4.16Å; I411-S413 VanDerWaalsContact C-N 3.27Å; I411-S413 PolarHBondContact O-N 3.44Å; I411-L414 PolarHBondContact O-N 3.44Å; I411-F415 HydrophobicContact CD1-CE2 4.01Å; I411-F415 HydrophobicContact CG1-CD2 4.05Å; I411-F415 HydrophobicContact CG1-CE2 3.62Å; I411-F415 HydrophobicContact CG1-CZ 4.47Å; I411-F415 WeakPolarHBondContact O-CD2 3.28Å; I411-F415 PolarHBondContact O-N 3.02Å
412	S	71.8	Confident	81	Confident	79 Å²	79	76.3 Å²	76.3	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-69.4	-22.3	178.3	61.9	0	0	0	0	114.1	H410	H410-S412 VanDerWaalsContact C-N 3.31Å; H410-S412 PolarHBondContact CE1-OG 2.9Å; H410-S412 VanDerWaalsContact CE1-OG 3.3Å; H410-S412 PolarHBondContact ND1-N 3.41Å; H410-S412 PolarHBondContact ND1-OG 3.12Å; H410-S412 PolarHBondContact O-N 2.81Å; H410-S412 VanDerWaalsContact O-N 3.07Å
413	S	81.2	Confident	80.8	Confident	33 Å²	33	78 Å²	78	23%	0.231	39%	0.394	C	S	.	.	H	α-helix	trans	-85	-35.8	169.2	-79.2	0	0	0	0	111.7	H410 I411 R416 H417	H410-S413 WeakPolarHBondContact O-CA 3.43Å; H410-S413 WeakPolarHBondContact O-CB 3.48Å; H410-S413 PolarHBondContact O-N 2.86Å; I411-S413 VanDerWaalsContact C-N 3.27Å; I411-S413 PolarHBondContact O-N 3.44Å; S413-R416 PolarHBondContact O-N 2.81Å; S413-R416 PolarHBondContact OG-NH2 2.86Å; S413-H417 WeakPolarHBondContact O-CB 3.5Å; S413-H417 PolarHBondContact O-N 3.27Å
414	L	83.5	Confident	80.9	Confident	15 Å²	15	73.2 Å²	73.2	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-57.8	-52.3	177.3	179	59.5	0	0	0	111.8	Y400 C402 F409 H410 I411 R416 H417 Q418	Y400-L414 VanDerWaalsContact CB-CD2 3.45Å; Y400-L414 HydrophobicContact CG-CD2 4.38Å; C402-L414 HydrophobicContact CB-CD1 3.66Å; F409-L414 HydrophobicContact CB-CB 4.06Å; F409-L414 HydrophobicContact CD2-CD1 4.03Å; H410-L414 PolarHBondContact O-N 3.1Å; I411-L414 PolarHBondContact O-N 3.44Å; L414-R416 PolarHBondContact O-N 3.18Å; L414-R416 VanDerWaalsContact O-N 3.12Å; L414-H417 CarbonylContact O-C 3.58Å; L414-H417 WeakPolarHBondContact O-CA 3.34Å; L414-H417 WeakPolarHBondContact O-CB 3.32Å; L414-H417 PolarHBondContact O-N 3.48Å; L414-Q418 HydrophobicContact CD1-CG 3.96Å; L414-Q418 HydrophobicContact CG-CG 4.29Å; L414-Q418 PolarHBondContact O-N 3.38Å
415	F	80.9	Confident	80.9	Confident	131 Å²	131	74.6 Å²	74.6	58%	0.575	37%	0.372	S	S	*	.	H	α-helix	trans	-60.4	-26.3	179	-72.6	-58.1	0	0	0	113.8	I411	I411-F415 HydrophobicContact CD1-CE2 4.01Å; I411-F415 HydrophobicContact CG1-CD2 4.05Å; I411-F415 HydrophobicContact CG1-CE2 3.62Å; I411-F415 HydrophobicContact CG1-CZ 4.47Å; I411-F415 WeakPolarHBondContact O-CD2 3.28Å; I411-F415 PolarHBondContact O-N 3.02Å
416	R	83	Confident	81	Confident	114 Å²	114	75.1 Å²	75.1	43%	0.43	38%	0.375	S	S	.	.	H	α-helix	trans	-81.2	-34	173.8	176.5	178.3	56.9	168.7	-6.2	111.8	S413 L414 R419	S413-R416 PolarHBondContact O-N 2.81Å; S413-R416 PolarHBondContact OG-NH2 2.86Å; L414-R416 PolarHBondContact O-N 3.18Å; L414-R416 VanDerWaalsContact O-N 3.12Å; R416-R419 WeakPolarHBondContact O-CB 3.35Å
417	H	85.6	Confident	81.6	Confident	26 Å²	26	77 Å²	77	12%	0.12	37%	0.374	C	S	.	.	H	α-helix	trans	-71.6	-38.3	176.1	169.7	93.7	0	0	0	112	C405 F409 S413 L414 R419 L420 H421	C405-H417 PolarHBondContact SG-NE2 2.73Å; F409-H417 HydrophobicContact CD2-CB 4.23Å; F409-H417 AromaticContact CD2-CG 3.99Å; F409-H417 HydrophobicContact CE2-CB 3.98Å; F409-H417 AromaticContact CE2-CD2 3.48Å; F409-H417 VanDerWaalsContact CE2-CD2 3.48Å; F409-H417 WeakPolarHBondContact CE2-CD2 3.3Å; F409-H417 AromaticContact CE2-CE1 3.54Å; F409-H417 AromaticContact CE2-CG 3.32Å; F409-H417 AromaticContact CE2-ND1 3.36Å; F409-H417 WeakPolarHBondContact CE2-ND1 3.41Å; F409-H417 AromaticContact CE2-NE2 3.63Å; F409-H417 HydrophobicContact CZ-CB 4.2Å; F409-H417 AromaticContact CZ-CE1 3.54Å; F409-H417 AromaticContact CZ-CG 3.58Å; F409-H417 AromaticContact CZ-ND1 3.16Å; F409-H417 WeakPolarHBondContact CZ-ND1 3.5Å; S413-H417 WeakPolarHBondContact O-CB 3.5Å; S413-H417 PolarHBondContact O-N 3.27Å; L414-H417 CarbonylContact O-C 3.58Å; L414-H417 WeakPolarHBondContact O-CA 3.34Å; L414-H417 WeakPolarHBondContact O-CB 3.32Å; L414-H417 PolarHBondContact O-N 3.48Å; H417-R419 PolarHBondContact O-N 3.11Å; H417-R419 VanDerWaalsContact O-N 3.09Å; H417-L420 WeakPolarHBondContact O-CA 3.41Å; H417-L420 WeakPolarHBondContact O-CB 3.5Å; H417-L420 VanDerWaalsContact O-CG 3.27Å; H417-L420 WeakPolarHBondContact O-CG 3.35Å; H417-L420 PolarHBondContact O-N 2.96Å; H417-H421 AromaticContact CD2-CD2 3.99Å; H417-H421 AromaticContact NE2-CD2 3.47Å; H417-H421 PolarHBondContact NE2-CD2 3.34Å; H417-H421 AromaticContact NE2-NE2 3.34Å; H417-H421 PolarHBondContact NE2-NE2 2.97Å
418	Q	83.6	Confident	82.2	Confident	47 Å²	47	77.7 Å²	77.7	22%	0.22	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-20.1	175.2	-73.6	170.3	-37.4	0	0	113.3	L414 L420 H421 K422	L414-Q418 HydrophobicContact CD1-CG 3.96Å; L414-Q418 HydrophobicContact CG-CG 4.29Å; L414-Q418 PolarHBondContact O-N 3.38Å; Q418-L420 VanDerWaalsContact C-N 3.26Å; Q418-L420 PolarHBondContact O-N 3.33Å; Q418-H421 WeakPolarHBondContact O-CB 3.45Å; Q418-H421 PolarHBondContact O-N 3.25Å; Q418-K422 PolarHBondContact O-N 2.75Å
419	R	83.8	Confident	83.1	Confident	64 Å²	64	72.6 Å²	72.6	24%	0.242	35%	0.349	C	S	.	.	H	α-helix	trans	-72.2	-17.2	169.1	-57	-177.7	-174.5	174.4	-1.5	113.4	R416 H417 E424 Y427 K437	R416-R419 WeakPolarHBondContact O-CB 3.35Å; H417-R419 PolarHBondContact O-N 3.11Å; H417-R419 VanDerWaalsContact O-N 3.09Å; R419-E424 HydrophobicContact CB-CB 3.99Å; R419-E424 HydrophobicContact CG-CB 4.09Å; R419-E424 PolarHBondContact O-N 3.32Å; R419-Y427 PolarHBondContact NH1-OH 2.72Å; R419-K437 WeakPolarHBondContact O-CD 3.28Å; R419-K437 WeakPolarHBondContact O-CE 3.27Å; R419-K437 PolarHBondContact O-NZ 3.08Å
420	L	82.1	Confident	83.7	Confident	99 Å²	99	78.1 Å²	78.1	52%	0.518	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-54.6	169.8	-59.1	-177.6	0	0	0	108.8	H417 Q418 K437	H417-L420 WeakPolarHBondContact O-CA 3.41Å; H417-L420 WeakPolarHBondContact O-CB 3.5Å; H417-L420 VanDerWaalsContact O-CG 3.27Å; H417-L420 WeakPolarHBondContact O-CG 3.35Å; H417-L420 PolarHBondContact O-N 2.96Å; Q418-L420 VanDerWaalsContact C-N 3.26Å; Q418-L420 PolarHBondContact O-N 3.33Å; L420-K437 HydrophobicContact CD2-CD 3.93Å; L420-K437 PolarHBondContact O-NZ 3.17Å
421	H	82.1	Confident	84.4	Confident	64 Å²	64	79.9 Å²	79.9	30%	0.296	39%	0.387	S	S	.	.	H	α-helix	trans	-57.4	-64.5	178.5	-78.6	-89.5	0	0	0	113.7	E404 C405 H417 Q418 G423	E404-H421 WeakPolarHBondContact CB-CE1 3.29Å; E404-H421 WeakPolarHBondContact CB-ND1 3.4Å; E404-H421 VanDerWaalsContact CD-ND1 3.32Å; E404-H421 WeakPolarHBondContact OE1-CB 3.17Å; E404-H421 IonicContact OE1-CG 3.01Å; E404-H421 IonicContact OE1-ND1 3.26Å; E404-H421 VanDerWaalsContact OE2-CB 3.26Å; E404-H421 WeakPolarHBondContact OE2-CB 3.28Å; E404-H421 IonicContact OE2-CE1 3.92Å; E404-H421 IonicContact OE2-CG 2.67Å; E404-H421 VanDerWaalsContact OE2-CG 3.3Å; E404-H421 IonicContact OE2-ND1 2.68Å; E404-H421 PolarHBondContact OE2-ND1 2.83Å; C405-H421 PolarHBondContact SG-NE2 3.42Å; C405-H421 VanDerWaalsContact SG-NE2 3.44Å; H417-H421 AromaticContact CD2-CD2 3.99Å; H417-H421 AromaticContact NE2-CD2 3.47Å; H417-H421 PolarHBondContact NE2-CD2 3.34Å; H417-H421 AromaticContact NE2-NE2 3.34Å; H417-H421 PolarHBondContact NE2-NE2 2.97Å; Q418-H421 WeakPolarHBondContact O-CB 3.45Å; Q418-H421 PolarHBondContact O-N 3.25Å; H421-G423 PolarHBondContact O-N 3.4Å
422	K	81.9	Confident	85.1	Confident	139 Å²	139	78.7 Å²	78.7	60%	0.604	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	6.5	-177.5	-64.4	-177.5	171.3	-176.6	0	115.2	Q418 E424	Q418-K422 PolarHBondContact O-N 2.75Å; K422-E424 HydrophobicContact CB-CG 3.93Å; K422-E424 VanDerWaalsContact CD-OE1 3.26Å; K422-E424 WeakPolarHBondContact CD-OE1 3.38Å; K422-E424 PolarHBondContact O-N 2.8Å
423	G	81.9	Confident	86	Confident	36 Å²	36	80.5 Å²	80.5	37%	0.371	38%	0.384	S	S	.	.			trans	68.8	-17.2	-174.8	0	0	0	0	0	115.5	H421 R425 K437	H421-G423 PolarHBondContact O-N 3.4Å; G423-R425 PolarHBondContact O-N 3.33Å; G423-K437 WeakPolarHBondContact O-CE 3.13Å
424	E	84.7	Confident	86.5	Confident	83 Å²	83	84.8 Å²	84.8	39%	0.388	40%	0.398	S	S	.	.			trans	-41	124.3	-170.2	-75.4	178.8	-146.2	0	0	114.4	R419 K422 K437	R419-E424 HydrophobicContact CB-CB 3.99Å; R419-E424 HydrophobicContact CG-CB 4.09Å; R419-E424 PolarHBondContact O-N 3.32Å; K422-E424 HydrophobicContact CB-CG 3.93Å; K422-E424 VanDerWaalsContact CD-OE1 3.26Å; K422-E424 WeakPolarHBondContact CD-OE1 3.38Å; K422-E424 PolarHBondContact O-N 2.8Å; E424-K437 WeakPolarHBondContact O-CG 3.11Å
425	R	85.9	Confident	86.9	Confident	143 Å²	143	85.9 Å²	85.9	54%	0.54	41%	0.407	S	S	.	.			trans	-130.3	73.3	177.2	-77.2	165.8	144.8	110.2	-4.2	110.7	G423 Y427 S435 F436 K437	G423-R425 PolarHBondContact O-N 3.33Å; R425-Y427 PolarHBondContact O-N 2.81Å; R425-S435 WeakPolarHBondContact CD-O 3.49Å; R425-S435 WeakPolarHBondContact CG-O 3.36Å; R425-S435 PolarHBondContact NE-O 3.35Å; R425-F436 CarbonylContact C-O 3.31Å; R425-F436 VanDerWaalsContact C-O 3.23Å; R425-F436 VanDerWaalsContact CA-O 3.27Å; R425-F436 WeakPolarHBondContact CA-O 3.4Å; R425-K437 HydrophobicContact CG-CG 3.74Å
426	P	87.2	Confident	87.3	Confident	70 Å²	70	81.8 Å²	81.8	46%	0.455	39%	0.389	S	S	.	.			trans	-68.2	-16.4	-170.6	-21.1	34.7	0	0	0	114.9
427	Y	91.3	Very high	87.4	Confident	70 Å²	70	78.5 Å²	78.5	28%	0.275	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	98.4	-172.4	-50.8	-73.7	0	0	0	110.1	R419 R425 F436 K437 R439	R419-Y427 PolarHBondContact NH1-OH 2.72Å; R425-Y427 PolarHBondContact O-N 2.81Å; Y427-F436 WeakPolarHBondContact CD2-O 3.29Å; Y427-F436 PolarHBondContact N-O 2.82Å; Y427-F436 PolarHBondContact O-N 3.5Å; Y427-K437 WeakPolarHBondContact CE2-O 3.04Å; Y427-R439 HydrophobicContact CD1-CB 3.82Å; Y427-R439 HydrophobicContact CD1-CG 4.29Å; Y427-R439 HydrophobicContact CD2-CB 4.47Å; Y427-R439 VanDerWaalsContact CD2-N 3.26Å; Y427-R439 HydrophobicContact CE1-CB 3.88Å; Y427-R439 HydrophobicContact CG-CB 4.13Å
428	K	92	Very high	87.5	Confident	128 Å²	128	80.3 Å²	80.3	56%	0.557	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.9	177.5	-54.5	-164.1	177.2	180	0	111.3	L442	K428-L442 VanDerWaalsContact O-CD2 3.27Å; K428-L442 WeakPolarHBondContact O-CD2 3.46Å
429	C	93.2	Very high	87.7	Confident	0 Å²	0	87.2 Å²	87.2	0%	0	41%	0.41	C	S	.	.			trans	-86.8	126	164.2	166	0	0	0	0	108.6	D431 Q433 K434 F436 L442 H449	C429-D431 PolarHBondContact SG-OD2 2.83Å; C429-Q433 WeakPolarHBondContact O-CA 3.43Å; C429-Q433 PolarHBondContact O-N 2.79Å; C429-K434 WeakPolarHBondContact CB-O 3.42Å; C429-K434 PolarHBondContact N-O 2.78Å; C429-F436 HydrophobicContact CB-CE2 4.36Å; C429-L442 HydrophobicContact CB-CD1 3.54Å; C429-H449 PolarHBondContact SG-NE2 2.78Å
430	E	91.4	Very high	87.8	Confident	164 Å²	164	86.7 Å²	86.7	77%	0.766	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-40.7	-178	-70.9	160.6	179.7	0	0	110.7	C432 Q433	E430-C432 VanDerWaalsContact C-N 3.33Å; E430-C432 PolarHBondContact O-N 3.19Å; E430-Q433 PolarHBondContact O-NE2 2.88Å
431	D	89.7	Confident	88.3	Confident	104 Å²	104	84.3 Å²	84.3	56%	0.556	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.5	-176	-34.1	-77.6	0	0	0	114.5	C429 H449	C429-D431 PolarHBondContact SG-OD2 2.83Å; D431-H449 IonicContact OD2-CD2 3.38Å; D431-H449 PolarHBondContact OD2-CD2 3.07Å; D431-H449 VanDerWaalsContact OD2-CD2 3.26Å; D431-H449 IonicContact OD2-NE2 2.75Å
432	C	91.2	Very high	88.8	Confident	43 Å²	43	82.1 Å²	82.1	29%	0.291	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.3	17	-178.7	75.5	0	0	0	0	115.5	E430 K434 H445 H449	E430-C432 VanDerWaalsContact C-N 3.33Å; E430-C432 PolarHBondContact O-N 3.19Å; C432-K434 PolarHBondContact O-N 2.9Å; C432-H445 PolarHBondContact SG-NE2 2.92Å; C432-H449 WeakPolarHBondContact CB-CE1 3.35Å; C432-H449 PolarHBondContact SG-CE1 3.47Å; C432-H449 PolarHBondContact SG-NE2 2.82Å
433	Q	90.6	Very high	89.2	Confident	117 Å²	117	81.1 Å²	81.1	55%	0.547	39%	0.391	S	S	.	.			trans	58	2.5	175	-58.6	-59.2	-46.3	0	0	116.9	C429 E430 S435	C429-Q433 WeakPolarHBondContact O-CA 3.43Å; C429-Q433 PolarHBondContact O-N 2.79Å; E430-Q433 PolarHBondContact O-NE2 2.88Å; Q433-S435 PolarHBondContact O-N 3.16Å; Q433-S435 PolarHBondContact O-OG 2.65Å; Q433-S435 VanDerWaalsContact O-OG 3.1Å
434	K	91.4	Very high	89.6	Confident	124 Å²	124	83.7 Å²	83.7	54%	0.539	39%	0.392	S	S	.	.			trans	-60.6	131.7	174.9	-72.2	178.5	-173.4	169.9	0	110.3	C429 C432 F436	C429-K434 WeakPolarHBondContact CB-O 3.42Å; C429-K434 PolarHBondContact N-O 2.78Å; C432-K434 PolarHBondContact O-N 2.9Å; K434-F436 HydrophobicContact CB-CE2 3.85Å; K434-F436 HydrophobicContact CB-CZ 4.09Å; K434-F436 WeakPolarHBondContact O-CD2 3.34Å; K434-F436 VanDerWaalsContact O-CE2 3.24Å; K434-F436 WeakPolarHBondContact O-CE2 3.47Å
435	S	91.1	Very high	90	Very high	37 Å²	37	80.9 Å²	80.9	26%	0.259	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.4	-168.4	-58.6	0	0	0	0	111.6	R425 Q433	R425-S435 WeakPolarHBondContact CD-O 3.49Å; R425-S435 WeakPolarHBondContact CG-O 3.36Å; R425-S435 PolarHBondContact NE-O 3.35Å; Q433-S435 PolarHBondContact O-N 3.16Å; Q433-S435 PolarHBondContact O-OG 2.65Å; Q433-S435 VanDerWaalsContact O-OG 3.1Å
436	F	89.6	Confident	90.3	Very high	45 Å²	45	77.2 Å²	77.2	20%	0.197	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.4	-168.8	-62.6	-90.9	0	0	0	112.5	R425 Y427 C429 K434 D441 L442 H445	R425-F436 CarbonylContact C-O 3.31Å; R425-F436 VanDerWaalsContact C-O 3.23Å; R425-F436 VanDerWaalsContact CA-O 3.27Å; R425-F436 WeakPolarHBondContact CA-O 3.4Å; Y427-F436 WeakPolarHBondContact CD2-O 3.29Å; Y427-F436 PolarHBondContact N-O 2.82Å; Y427-F436 PolarHBondContact O-N 3.5Å; C429-F436 HydrophobicContact CB-CE2 4.36Å; K434-F436 HydrophobicContact CB-CE2 3.85Å; K434-F436 HydrophobicContact CB-CZ 4.09Å; K434-F436 WeakPolarHBondContact O-CD2 3.34Å; K434-F436 VanDerWaalsContact O-CE2 3.24Å; K434-F436 WeakPolarHBondContact O-CE2 3.47Å; F436-D441 HydrophobicContact CB-CB 4.4Å; F436-D441 HydrophobicContact CD1-CB 3.96Å; F436-L442 HydrophobicContact CB-CB 4.26Å; F436-L442 HydrophobicContact CD2-CB 4.02Å; F436-L442 HydrophobicContact CD2-CD1 4.05Å; F436-L442 HydrophobicContact CE2-CD1 4.29Å; F436-L442 HydrophobicContact CG-CB 4.24Å; F436-H445 HydrophobicContact CE1-CB 3.96Å; F436-H445 HydrophobicContact CE2-CB 4.05Å; F436-H445 AromaticContact CE2-CD2 3.27Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.46Å; F436-H445 AromaticContact CE2-CG 3.81Å; F436-H445 HydrophobicContact CZ-CB 3.52Å; F436-H445 AromaticContact CZ-CD2 3.26Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.33Å; F436-H445 AromaticContact CZ-CG 3.34Å
437	K	85.4	Confident	90.5	Very high	46 Å²	46	75.7 Å²	75.7	20%	0.2	35%	0.353	C	S	.	.	S	Bend	trans	-80.1	-20.7	-179.6	-53.6	-158.5	168.6	-162.4	0	113.1	R419 L420 G423 E424 R425 Y427	R419-K437 WeakPolarHBondContact O-CD 3.28Å; R419-K437 WeakPolarHBondContact O-CE 3.27Å; R419-K437 PolarHBondContact O-NZ 3.08Å; L420-K437 HydrophobicContact CD2-CD 3.93Å; L420-K437 PolarHBondContact O-NZ 3.17Å; G423-K437 WeakPolarHBondContact O-CE 3.13Å; E424-K437 WeakPolarHBondContact O-CG 3.11Å; R425-K437 HydrophobicContact CG-CG 3.74Å; Y427-K437 WeakPolarHBondContact CE2-O 3.04Å
438	Q	86.9	Confident	90.5	Very high	64 Å²	64	77.3 Å²	77.3	30%	0.299	37%	0.37	S	S	.	.	S	Bend	trans	-133.5	143.6	175.9	-46.4	-172.4	39.2	0	0	111.7	S440 D441 L442	Q438-S440 VanDerWaalsContact CB-OG 3.3Å; Q438-S440 WeakPolarHBondContact CB-OG 3.35Å; Q438-S440 PolarHBondContact O-N 3.17Å; Q438-S440 PolarHBondContact OE1-OG 3.43Å; Q438-D441 WeakPolarHBondContact CB-OD2 3.46Å; Q438-D441 PolarHBondContact O-N 3.44Å; Q438-D441 VanDerWaalsContact O-N 3.07Å; Q438-L442 PolarHBondContact O-N 3.47Å
439	R	87.6	Confident	90.4	Very high	191 Å²	191	75.1 Å²	75.1	72%	0.721	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-30.7	175.9	-170.7	177.3	-177.9	174.8	3.1	112.7	Y427 D441 L442 F443	Y427-R439 HydrophobicContact CD1-CB 3.82Å; Y427-R439 HydrophobicContact CD1-CG 4.29Å; Y427-R439 HydrophobicContact CD2-CB 4.47Å; Y427-R439 VanDerWaalsContact CD2-N 3.26Å; Y427-R439 HydrophobicContact CE1-CB 3.88Å; Y427-R439 HydrophobicContact CG-CB 4.13Å; R439-D441 VanDerWaalsContact C-N 3.3Å; R439-D441 PolarHBondContact O-N 3.5Å; R439-L442 PolarHBondContact O-N 3.12Å; R439-F443 PolarHBondContact O-N 3.18Å
440	S	87.6	Confident	90.2	Very high	54 Å²	54	79.4 Å²	79.4	38%	0.378	39%	0.387	S	S	.	.	H	α-helix	trans	-62.4	-33.2	173.9	45.6	0	0	0	0	113	Q438 K444	Q438-S440 VanDerWaalsContact CB-OG 3.3Å; Q438-S440 WeakPolarHBondContact CB-OG 3.35Å; Q438-S440 PolarHBondContact O-N 3.17Å; Q438-S440 PolarHBondContact OE1-OG 3.43Å; S440-K444 WeakPolarHBondContact O-CE 3.44Å; S440-K444 VanDerWaalsContact O-CG 3.25Å; S440-K444 WeakPolarHBondContact O-CG 3.37Å; S440-K444 PolarHBondContact O-N 3.4Å
441	D	90.6	Very high	90.1	Very high	48 Å²	48	73.7 Å²	73.7	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-82.3	-35.8	179.8	-59.9	-40.8	0	0	0	111.6	F436 Q438 R439 K444 H445	F436-D441 HydrophobicContact CB-CB 4.4Å; F436-D441 HydrophobicContact CD1-CB 3.96Å; Q438-D441 WeakPolarHBondContact CB-OD2 3.46Å; Q438-D441 PolarHBondContact O-N 3.44Å; Q438-D441 VanDerWaalsContact O-N 3.07Å; R439-D441 VanDerWaalsContact C-N 3.3Å; R439-D441 PolarHBondContact O-N 3.5Å; D441-K444 PolarHBondContact O-N 3.05Å; D441-K444 IonicContact OD1-NZ 3.74Å; D441-K444 PolarHBondContact OD1-NZ 3.09Å; D441-H445 WeakPolarHBondContact O-CB 3.3Å; D441-H445 PolarHBondContact O-N 2.92Å
442	L	93	Very high	90.1	Very high	18 Å²	18	72.8 Å²	72.8	9%	0.094	37%	0.365	C	S	.	.	H	α-helix	trans	-56.2	-49.7	166.5	169.9	60	0	0	0	111.2	K428 C429 F436 Q438 R439 K444 H445 Q446	K428-L442 VanDerWaalsContact O-CD2 3.27Å; K428-L442 WeakPolarHBondContact O-CD2 3.46Å; C429-L442 HydrophobicContact CB-CD1 3.54Å; F436-L442 HydrophobicContact CB-CB 4.26Å; F436-L442 HydrophobicContact CD2-CB 4.02Å; F436-L442 HydrophobicContact CD2-CD1 4.05Å; F436-L442 HydrophobicContact CE2-CD1 4.29Å; F436-L442 HydrophobicContact CG-CB 4.24Å; Q438-L442 PolarHBondContact O-N 3.47Å; R439-L442 PolarHBondContact O-N 3.12Å; L442-K444 VanDerWaalsContact C-N 3.35Å; L442-K444 PolarHBondContact O-N 3.39Å; L442-H445 CarbonylContact O-C 3.45Å; L442-H445 WeakPolarHBondContact O-CA 3.27Å; L442-H445 WeakPolarHBondContact O-CB 2.95Å; L442-H445 PolarHBondContact O-N 2.7Å; L442-Q446 HydrophobicContact CD1-CG 4.07Å; L442-Q446 PolarHBondContact O-N 3.25Å
443	F	90.9	Very high	90.2	Very high	118 Å²	118	76.9 Å²	76.9	52%	0.518	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-36.3	-179.2	-172.8	-105.6	0	0	0	113	R439 H445	R439-F443 PolarHBondContact O-N 3.18Å; F443-H445 VanDerWaalsContact C-N 3.28Å; F443-H445 PolarHBondContact O-N 3.28Å
444	K	90.7	Very high	90.1	Very high	90 Å²	90	74.5 Å²	74.5	39%	0.391	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-34.1	169.9	-68.6	165.2	-153.7	165.6	0	112.2	S440 D441 L442	S440-K444 WeakPolarHBondContact O-CE 3.44Å; S440-K444 VanDerWaalsContact O-CG 3.25Å; S440-K444 WeakPolarHBondContact O-CG 3.37Å; S440-K444 PolarHBondContact O-N 3.4Å; D441-K444 PolarHBondContact O-N 3.05Å; D441-K444 IonicContact OD1-NZ 3.74Å; D441-K444 PolarHBondContact OD1-NZ 3.09Å; L442-K444 VanDerWaalsContact C-N 3.35Å; L442-K444 PolarHBondContact O-N 3.39Å
445	H	92.4	Very high	90.3	Very high	24 Å²	24	72.5 Å²	72.5	11%	0.111	36%	0.362	C	S	.	.	H	α-helix	trans	-76.5	-36.6	-179.2	169.5	50.1	0	0	0	112.9	C432 F436 D441 L442 F443 R447 V448 H449	C432-H445 PolarHBondContact SG-NE2 2.92Å; F436-H445 HydrophobicContact CE1-CB 3.96Å; F436-H445 HydrophobicContact CE2-CB 4.05Å; F436-H445 AromaticContact CE2-CD2 3.27Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.46Å; F436-H445 AromaticContact CE2-CG 3.81Å; F436-H445 HydrophobicContact CZ-CB 3.52Å; F436-H445 AromaticContact CZ-CD2 3.26Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.33Å; F436-H445 AromaticContact CZ-CG 3.34Å; D441-H445 WeakPolarHBondContact O-CB 3.3Å; D441-H445 PolarHBondContact O-N 2.92Å; L442-H445 CarbonylContact O-C 3.45Å; L442-H445 WeakPolarHBondContact O-CA 3.27Å; L442-H445 WeakPolarHBondContact O-CB 2.95Å; L442-H445 PolarHBondContact O-N 2.7Å; F443-H445 VanDerWaalsContact C-N 3.28Å; F443-H445 PolarHBondContact O-N 3.28Å; H445-R447 PolarHBondContact O-N 3.35Å; H445-R447 VanDerWaalsContact O-N 3.12Å; H445-V448 WeakPolarHBondContact O-CB 3.49Å; H445-V448 WeakPolarHBondContact O-CG2 3.27Å; H445-V448 PolarHBondContact O-N 3.38Å; H445-H449 AromaticContact CD2-NE2 3.47Å; H445-H449 PolarHBondContact CD2-NE2 3.19Å; H445-H449 AromaticContact CE1-CE1 3.8Å; H445-H449 AromaticContact CE1-NE2 3.12Å; H445-H449 PolarHBondContact CE1-NE2 3.45Å; H445-H449 AromaticContact NE2-NE2 2.6Å; H445-H449 PolarHBondContact NE2-NE2 3.2Å
446	Q	91.6	Very high	90.4	Very high	66 Å²	66	73.6 Å²	73.6	31%	0.308	37%	0.368	S	S	.	.	H	α-helix	trans	-56.9	-29.4	177.3	-72.4	174.1	-68	0	0	112.5	L442 V448 H449 T450	L442-Q446 HydrophobicContact CD1-CG 4.07Å; L442-Q446 PolarHBondContact O-N 3.25Å; Q446-V448 PolarHBondContact O-N 2.73Å; Q446-V448 VanDerWaalsContact O-N 3.15Å; Q446-H449 PolarHBondContact O-N 2.72Å; Q446-T450 PolarHBondContact O-N 3.15Å; Q446-T450 VanDerWaalsContact O-N 3.1Å
447	R	91.8	Very high	90.6	Very high	38 Å²	38	71.5 Å²	71.5	14%	0.143	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-13.2	171.4	-62.5	-170.5	163.7	162	4.4	115.5	H445 G451 E452 S465	H445-R447 PolarHBondContact O-N 3.35Å; H445-R447 VanDerWaalsContact O-N 3.12Å; R447-G451 CarbonylContact O-C 3.54Å; R447-G451 WeakPolarHBondContact O-CA 3.23Å; R447-G451 PolarHBondContact O-N 2.86Å; R447-E452 HydrophobicContact CB-CB 4.03Å; R447-E452 HydrophobicContact CG-CB 3.84Å; R447-E452 IonicContact CZ-OE2 2.64Å; R447-E452 IonicContact NE-OE2 3.66Å; R447-E452 PolarHBondContact NE-OE2 3.29Å; R447-E452 IonicContact NH2-OE2 3.79Å; R447-E452 PolarHBondContact O-N 3.47Å; R447-S465 PolarHBondContact NH1-O 3.04Å; R447-S465 VanDerWaalsContact NH1-O 3.07Å
448	V	90.8	Very high	90.9	Very high	104 Å²	104	78.6 Å²	78.6	63%	0.63	39%	0.39	S	S	*	.	H	α-helix	trans	-75.1	-33.5	171.1	-177.8	0	0	0	0	110.4	H445 Q446	H445-V448 WeakPolarHBondContact O-CB 3.49Å; H445-V448 WeakPolarHBondContact O-CG2 3.27Å; H445-V448 PolarHBondContact O-N 3.38Å; Q446-V448 PolarHBondContact O-N 2.73Å; Q446-V448 VanDerWaalsContact O-N 3.15Å
449	H	90.5	Very high	91.1	Very high	83 Å²	83	80.4 Å²	80.4	38%	0.384	41%	0.405	S	S	.	.	H	α-helix	trans	-83.3	-44.3	178.1	-52.9	-52	0	0	0	111.8	C429 D431 C432 H445 Q446 G451	C429-H449 PolarHBondContact SG-NE2 2.78Å; D431-H449 IonicContact OD2-CD2 3.38Å; D431-H449 PolarHBondContact OD2-CD2 3.07Å; D431-H449 VanDerWaalsContact OD2-CD2 3.26Å; D431-H449 IonicContact OD2-NE2 2.75Å; C432-H449 WeakPolarHBondContact CB-CE1 3.35Å; C432-H449 PolarHBondContact SG-CE1 3.47Å; C432-H449 PolarHBondContact SG-NE2 2.82Å; H445-H449 AromaticContact CD2-NE2 3.47Å; H445-H449 PolarHBondContact CD2-NE2 3.19Å; H445-H449 AromaticContact CE1-CE1 3.8Å; H445-H449 AromaticContact CE1-NE2 3.12Å; H445-H449 PolarHBondContact CE1-NE2 3.45Å; H445-H449 AromaticContact NE2-NE2 2.6Å; H445-H449 PolarHBondContact NE2-NE2 3.2Å; Q446-H449 PolarHBondContact O-N 2.72Å; H449-G451 PolarHBondContact O-N 3.38Å
450	T	88.7	Confident	91.4	Very high	89 Å²	89	73.5 Å²	73.5	55%	0.546	39%	0.385	S	S	.	.	S	Bend	trans	-76.1	-8.9	177	66.1	0	0	0	0	113.8	Q446 E452	Q446-T450 PolarHBondContact O-N 3.15Å; Q446-T450 VanDerWaalsContact O-N 3.1Å; T450-E452 PolarHBondContact O-N 2.96Å; T450-E452 VanDerWaalsContact O-N 3.11Å; T450-E452 WeakPolarHBondContact OG1-CB 3.37Å; T450-E452 WeakPolarHBondContact OG1-CG 3.26Å
451	G	89.4	Confident	91.6	Very high	45 Å²	45	73.4 Å²	73.4	46%	0.464	39%	0.393	S	S	.	.			trans	67.5	3.1	-175.2	0	0	0	0	0	115	R447 H449 K453	R447-G451 CarbonylContact O-C 3.54Å; R447-G451 WeakPolarHBondContact O-CA 3.23Å; R447-G451 PolarHBondContact O-N 2.86Å; H449-G451 PolarHBondContact O-N 3.38Å; G451-K453 PolarHBondContact O-N 2.93Å
452	E	90.8	Very high	91.8	Very high	85 Å²	85	77 Å²	77	40%	0.397	41%	0.406	S	S	.	.			trans	-52.1	123.6	-174	-97.1	179.9	-133.1	0	0	113.5	R447 T450 P454 S465	R447-E452 HydrophobicContact CB-CB 4.03Å; R447-E452 HydrophobicContact CG-CB 3.84Å; R447-E452 IonicContact CZ-OE2 2.64Å; R447-E452 IonicContact NE-OE2 3.66Å; R447-E452 PolarHBondContact NE-OE2 3.29Å; R447-E452 IonicContact NH2-OE2 3.79Å; R447-E452 PolarHBondContact O-N 3.47Å; T450-E452 PolarHBondContact O-N 2.96Å; T450-E452 VanDerWaalsContact O-N 3.11Å; T450-E452 WeakPolarHBondContact OG1-CB 3.37Å; T450-E452 WeakPolarHBondContact OG1-CG 3.26Å; E452-P454 HydrophobicContact CB-CG 4.43Å; E452-S465 WeakPolarHBondContact O-CA 3.44Å; E452-S465 VanDerWaalsContact O-CB 3.26Å; E452-S465 WeakPolarHBondContact O-CB 3.31Å
453	K	92.1	Very high	91.8	Very high	129 Å²	129	78.6 Å²	78.6	56%	0.561	42%	0.419	S	S	*	.			trans	-127.3	69.6	175.4	-71.3	162.3	-176.9	172.2	0	111.7	G451 Y455 F464	G451-K453 PolarHBondContact O-N 2.93Å; K453-Y455 PolarHBondContact O-N 3.5Å; K453-Y455 VanDerWaalsContact O-N 3.14Å; K453-F464 CarbonylContact C-O 3.59Å; K453-F464 VanDerWaalsContact CA-O 3.28Å; K453-F464 WeakPolarHBondContact CA-O 3.24Å
454	P	90.2	Very high	91.9	Very high	66 Å²	66	74.9 Å²	74.9	43%	0.429	40%	0.402	S	S	.	.			trans	-72.4	-7.4	-169.7	-19.6	35.6	0	0	0	115.3	E452	E452-P454 HydrophobicContact CB-CG 4.43Å
455	Y	94.3	Very high	91.9	Very high	82 Å²	82	72.6 Å²	72.6	32%	0.322	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	95.3	-176.1	-54.4	-73.3	0	0	0	110	K453 F464 S465 S467	K453-Y455 PolarHBondContact O-N 3.5Å; K453-Y455 VanDerWaalsContact O-N 3.14Å; Y455-F464 WeakPolarHBondContact CB-O 3.43Å; Y455-F464 WeakPolarHBondContact CD2-O 3.44Å; Y455-F464 PolarHBondContact N-O 3.45Å; Y455-F464 PolarHBondContact O-N 3.01Å; Y455-S465 WeakPolarHBondContact CE2-O 3.44Å; Y455-S467 VanDerWaalsContact CD2-N 3.26Å; Y455-S467 VanDerWaalsContact CE2-N 3.34Å
456	V	94.2	Very high	91.9	Very high	61 Å²	61	75.4 Å²	75.4	37%	0.37	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139	-177.8	-169.6	0	0	0	0	110.9
457	C	94	Very high	91.9	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	42%	0.415	C	S	.	.			trans	-86.6	110.2	170.9	-168.8	0	0	0	0	111	V459 C460 G461 K462 F464 L470	C457-V459 PolarHBondContact O-N 3.48Å; C457-V459 VanDerWaalsContact O-N 3.12Å; C457-C460 PolarHBondContact O-N 3.01Å; C457-G461 WeakPolarHBondContact O-CA 3.23Å; C457-G461 PolarHBondContact O-N 3.4Å; C457-K462 WeakPolarHBondContact CB-O 3.46Å; C457-K462 PolarHBondContact N-O 2.79Å; C457-F464 HydrophobicContact CB-CE2 4.37Å; C457-L470 HydrophobicContact CB-CD1 3.52Å
458	F	91.7	Very high	91.8	Very high	196 Å²	196	75.6 Å²	75.6	86%	0.86	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21	-179.9	-59.5	-72.4	0	0	0	114.7
459	V	91.3	Very high	91.9	Very high	101 Å²	101	73.7 Å²	73.7	61%	0.612	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-27.8	-179.3	-176.3	0	0	0	0	112.7	C457 H477	C457-V459 PolarHBondContact O-N 3.48Å; C457-V459 VanDerWaalsContact O-N 3.12Å; V459-H477 HydrophobicContact CG1-CB 4.17Å
460	C	93.1	Very high	92.1	Very high	46 Å²	46	70.7 Å²	70.7	31%	0.311	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146	10.9	-171.6	70.5	0	0	0	0	115.3	C457 K462 H473 H477	C457-C460 PolarHBondContact O-N 3.01Å; C460-K462 PolarHBondContact O-N 3.35Å; C460-H473 PolarHBondContact SG-NE2 3.33Å; C460-H477 WeakPolarHBondContact CB-NE2 3.33Å; C460-H477 PolarHBondContact SG-NE2 2.91Å
461	G	91.6	Very high	92.2	Very high	52 Å²	52	70.6 Å²	70.6	54%	0.536	40%	0.399	S	S	.	.			trans	68.9	-4.9	179.5	0	0	0	0	0	116.1	C457 S463	C457-G461 WeakPolarHBondContact O-CA 3.23Å; C457-G461 PolarHBondContact O-N 3.4Å; G461-S463 PolarHBondContact O-N 2.76Å; G461-S463 PolarHBondContact O-OG 3.4Å
462	K	93.9	Very high	92.3	Very high	124 Å²	124	73.3 Å²	73.3	54%	0.539	40%	0.398	S	S	.	.			trans	-70.2	127.1	-174.4	-68.7	-179.8	-178.7	178.6	0	111.8	C457 C460 F464	C457-K462 WeakPolarHBondContact CB-O 3.46Å; C457-K462 PolarHBondContact N-O 2.79Å; C460-K462 PolarHBondContact O-N 3.35Å; K462-F464 HydrophobicContact CB-CE2 3.93Å; K462-F464 HydrophobicContact CB-CZ 4.06Å; K462-F464 WeakPolarHBondContact O-CD2 3.33Å; K462-F464 WeakPolarHBondContact O-CE2 3.09Å
463	S	93.8	Very high	92.4	Very high	51 Å²	51	70.5 Å²	70.5	36%	0.357	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.5	-175.5	-47.9	0	0	0	0	112.8	G461	G461-S463 PolarHBondContact O-N 2.76Å; G461-S463 PolarHBondContact O-OG 3.4Å
464	F	92.8	Very high	92.4	Very high	41 Å²	41	67.8 Å²	67.8	18%	0.18	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.1	-175.8	-57.6	-89.4	0	0	0	111.8	K453 Y455 C457 K462 Q466 T469 L470 H473	K453-F464 CarbonylContact C-O 3.59Å; K453-F464 VanDerWaalsContact CA-O 3.28Å; K453-F464 WeakPolarHBondContact CA-O 3.24Å; Y455-F464 WeakPolarHBondContact CB-O 3.43Å; Y455-F464 WeakPolarHBondContact CD2-O 3.44Å; Y455-F464 PolarHBondContact N-O 3.45Å; Y455-F464 PolarHBondContact O-N 3.01Å; C457-F464 HydrophobicContact CB-CE2 4.37Å; K462-F464 HydrophobicContact CB-CE2 3.93Å; K462-F464 HydrophobicContact CB-CZ 4.06Å; K462-F464 WeakPolarHBondContact O-CD2 3.33Å; K462-F464 WeakPolarHBondContact O-CE2 3.09Å; F464-Q466 VanDerWaalsContact C-N 3.33Å; F464-T469 HydrophobicContact CD1-CG2 3.55Å; F464-T469 HydrophobicContact CE1-CG2 4.06Å; F464-T469 HydrophobicContact CG-CG2 4.4Å; F464-L470 HydrophobicContact CB-CB 4.43Å; F464-L470 HydrophobicContact CD2-CB 3.98Å; F464-L470 HydrophobicContact CD2-CD1 3.91Å; F464-L470 HydrophobicContact CE2-CD1 4.06Å; F464-L470 HydrophobicContact CG-CB 4.37Å; F464-H473 HydrophobicContact CE1-CB 4.3Å; F464-H473 HydrophobicContact CE2-CB 4.17Å; F464-H473 AromaticContact CE2-CD2 3.34Å; F464-H473 WeakPolarHBondContact CE2-CD2 3.33Å; F464-H473 AromaticContact CE2-CG 3.97Å; F464-H473 HydrophobicContact CZ-CB 3.74Å; F464-H473 AromaticContact CZ-CD2 3.28Å; F464-H473 WeakPolarHBondContact CZ-CD2 3.47Å; F464-H473 AromaticContact CZ-CG 3.53Å
465	S	90.7	Very high	92.5	Very high	42 Å²	42	66.8 Å²	66.8	29%	0.294	36%	0.362	S	S	.	.	S	Bend	trans	-78.9	-14.6	177.2	56.3	0	0	0	0	114	R447 E452 Y455	R447-S465 PolarHBondContact NH1-O 3.04Å; R447-S465 VanDerWaalsContact NH1-O 3.07Å; E452-S465 WeakPolarHBondContact O-CA 3.44Å; E452-S465 VanDerWaalsContact O-CB 3.26Å; E452-S465 WeakPolarHBondContact O-CB 3.31Å; Y455-S465 WeakPolarHBondContact CE2-O 3.44Å
466	Q	91.7	Very high	92.5	Very high	83 Å²	83	65.9 Å²	65.9	39%	0.388	37%	0.365	S	S	.	.	S	Bend	trans	-136.6	135.2	-179.5	-57.5	-175.3	17.8	0	0	111.9	F464 A468 T469 L470	F464-Q466 VanDerWaalsContact C-N 3.33Å; Q466-A468 PolarHBondContact O-N 3.45Å; Q466-T469 WeakPolarHBondContact O-CB 3.44Å; Q466-T469 PolarHBondContact O-N 3.25Å; Q466-T469 VanDerWaalsContact O-N 3.12Å; Q466-L470 PolarHBondContact O-N 2.96Å
467	S	92.4	Very high	92.3	Very high	55 Å²	55	67.5 Å²	67.5	39%	0.385	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-37.6	-178.9	52	0	0	0	0	113.3	Y455 T469 L470 I471	Y455-S467 VanDerWaalsContact CD2-N 3.26Å; Y455-S467 VanDerWaalsContact CE2-N 3.34Å; S467-T469 PolarHBondContact O-N 2.63Å; S467-L470 WeakPolarHBondContact O-CB 3.48Å; S467-L470 PolarHBondContact O-N 2.63Å; S467-L470 VanDerWaalsContact O-N 3.1Å; S467-I471 WeakPolarHBondContact O-CG1 3.29Å; S467-I471 PolarHBondContact O-N 2.88Å
468	A	89.6	Confident	92.1	Very high	53 Å²	53	71.7 Å²	71.7	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-28.1	176.1	0	0	0	0	0	112.8	Q466 K472	Q466-A468 PolarHBondContact O-N 3.45Å; A468-K472 VanDerWaalsContact O-CG 3.27Å; A468-K472 WeakPolarHBondContact O-CG 3.44Å; A468-K472 PolarHBondContact O-N 3.11Å
469	T	93.2	Very high	91.9	Very high	63 Å²	63	63.8 Å²	63.8	39%	0.387	37%	0.368	S	S	.	.	H	α-helix	trans	-77.2	-39.4	174.4	-48.2	0	0	0	0	111.2	F464 Q466 S467 K472 H473	F464-T469 HydrophobicContact CD1-CG2 3.55Å; F464-T469 HydrophobicContact CE1-CG2 4.06Å; F464-T469 HydrophobicContact CG-CG2 4.4Å; Q466-T469 WeakPolarHBondContact O-CB 3.44Å; Q466-T469 PolarHBondContact O-N 3.25Å; Q466-T469 VanDerWaalsContact O-N 3.12Å; S467-T469 PolarHBondContact O-N 2.63Å; T469-K472 PolarHBondContact O-N 3.01Å; T469-H473 WeakPolarHBondContact O-CB 3.37Å; T469-H473 PolarHBondContact O-N 3.47Å
470	L	93.9	Very high	91.9	Very high	20 Å²	20	63 Å²	63	11%	0.105	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-47.1	171.5	172.9	60.5	0	0	0	111.3	C457 F464 Q466 S467 K472 H473 Q474	C457-L470 HydrophobicContact CB-CD1 3.52Å; F464-L470 HydrophobicContact CB-CB 4.43Å; F464-L470 HydrophobicContact CD2-CB 3.98Å; F464-L470 HydrophobicContact CD2-CD1 3.91Å; F464-L470 HydrophobicContact CE2-CD1 4.06Å; F464-L470 HydrophobicContact CG-CB 4.37Å; Q466-L470 PolarHBondContact O-N 2.96Å; S467-L470 WeakPolarHBondContact O-CB 3.48Å; S467-L470 PolarHBondContact O-N 2.63Å; S467-L470 VanDerWaalsContact O-N 3.1Å; L470-K472 PolarHBondContact O-N 3.14Å; L470-H473 CarbonylContact O-C 3.05Å; L470-H473 WeakPolarHBondContact O-CA 3.03Å; L470-H473 WeakPolarHBondContact O-CB 3.38Å; L470-H473 PolarHBondContact O-N 3.25Å; L470-Q474 HydrophobicContact CD1-CG 4.04Å; L470-Q474 HydrophobicContact CG-CG 4.39Å; L470-Q474 WeakPolarHBondContact O-CG 3.46Å; L470-Q474 PolarHBondContact O-N 3.46Å
471	I	91.8	Very high	91.8	Very high	88 Å²	88	65.4 Å²	65.4	45%	0.451	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-45.1	178.8	-65.7	164.5	0	0	0	111	S467 H473 Q474 R475	S467-I471 WeakPolarHBondContact O-CG1 3.29Å; S467-I471 PolarHBondContact O-N 2.88Å; I471-H473 PolarHBondContact O-N 3.39Å; I471-Q474 PolarHBondContact O-N 3.35Å; I471-R475 PolarHBondContact O-N 3.15Å
472	K	91.8	Very high	91.8	Very high	101 Å²	101	65.3 Å²	65.3	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-30.3	173.5	-75.2	174.8	-179.2	-170.3	0	113	A468 T469 L470	A468-K472 VanDerWaalsContact O-CG 3.27Å; A468-K472 WeakPolarHBondContact O-CG 3.44Å; A468-K472 PolarHBondContact O-N 3.11Å; T469-K472 PolarHBondContact O-N 3.01Å; L470-K472 PolarHBondContact O-N 3.14Å
473	H	93.1	Very high	91.8	Very high	26 Å²	26	63.1 Å²	63.1	12%	0.12	34%	0.341	C	S	.	.	H	α-helix	trans	-79.6	-37.4	176	173.9	47	0	0	0	112.8	C460 F464 T469 L470 I471 R475 T476 H477	C460-H473 PolarHBondContact SG-NE2 3.33Å; F464-H473 HydrophobicContact CE1-CB 4.3Å; F464-H473 HydrophobicContact CE2-CB 4.17Å; F464-H473 AromaticContact CE2-CD2 3.34Å; F464-H473 WeakPolarHBondContact CE2-CD2 3.33Å; F464-H473 AromaticContact CE2-CG 3.97Å; F464-H473 HydrophobicContact CZ-CB 3.74Å; F464-H473 AromaticContact CZ-CD2 3.28Å; F464-H473 WeakPolarHBondContact CZ-CD2 3.47Å; F464-H473 AromaticContact CZ-CG 3.53Å; T469-H473 WeakPolarHBondContact O-CB 3.37Å; T469-H473 PolarHBondContact O-N 3.47Å; L470-H473 CarbonylContact O-C 3.05Å; L470-H473 WeakPolarHBondContact O-CA 3.03Å; L470-H473 WeakPolarHBondContact O-CB 3.38Å; L470-H473 PolarHBondContact O-N 3.25Å; I471-H473 PolarHBondContact O-N 3.39Å; H473-R475 PolarHBondContact O-N 2.69Å; H473-T476 PolarHBondContact CE1-OG1 3.04Å; H473-T476 PolarHBondContact ND1-OG1 3.17Å; H473-T476 VanDerWaalsContact ND1-OG1 3.09Å; H473-T476 WeakPolarHBondContact O-CA 3.28Å; H473-T476 VanDerWaalsContact O-CB 3.32Å; H473-T476 WeakPolarHBondContact O-CB 3.37Å; H473-T476 PolarHBondContact O-N 3.11Å; H473-T476 PolarHBondContact O-OG1 3.37Å; H473-H477 AromaticContact CE1-NE2 3.82Å
474	Q	92	Very high	91.7	Very high	72 Å²	72	66 Å²	66	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-57.1	-36.3	176.7	-73.9	169.6	-69.6	0	0	111.8	L470 I471 T476 H477 T478	L470-Q474 HydrophobicContact CD1-CG 4.04Å; L470-Q474 HydrophobicContact CG-CG 4.39Å; L470-Q474 WeakPolarHBondContact O-CG 3.46Å; L470-Q474 PolarHBondContact O-N 3.46Å; I471-Q474 PolarHBondContact O-N 3.35Å; Q474-T476 PolarHBondContact O-N 3.47Å; Q474-H477 WeakPolarHBondContact O-CB 3.49Å; Q474-H477 PolarHBondContact O-N 3.4Å; Q474-T478 PolarHBondContact O-N 3.34Å; Q474-T478 VanDerWaalsContact O-N 3.1Å; Q474-T478 PolarHBondContact O-OG1 3.08Å
475	R	92.8	Very high	91.8	Very high	45 Å²	45	64.1 Å²	64.1	17%	0.17	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-15.7	170.5	-63.7	-173.3	176.9	158.7	3.2	115.4	I471 H473 T478 G479 E480 Y483 R493	I471-R475 PolarHBondContact O-N 3.15Å; H473-R475 PolarHBondContact O-N 2.69Å; R475-T478 WeakPolarHBondContact CA-OG1 3.47Å; R475-G479 CarbonylContact O-C 3.59Å; R475-G479 PolarHBondContact O-N 3.13Å; R475-E480 HydrophobicContact CB-CB 4.13Å; R475-E480 HydrophobicContact CG-CB 3.92Å; R475-E480 WeakPolarHBondContact CG-OE2 3.49Å; R475-E480 IonicContact NE-OE2 2.73Å; R475-E480 PolarHBondContact NE-OE2 3.03Å; R475-Y483 PolarHBondContact NH1-OH 3.25Å; R475-R493 PolarHBondContact NH1-O 3.28Å; R475-R493 WeakPolarHBondContact O-CD 3.23Å; R475-R493 PolarHBondContact O-NE 2.73Å
476	T	92.3	Very high	91.8	Very high	64 Å²	64	69.5 Å²	69.5	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-79.7	-21.7	172.3	69.2	0	0	0	0	112.9	H473 Q474	H473-T476 PolarHBondContact CE1-OG1 3.04Å; H473-T476 PolarHBondContact ND1-OG1 3.17Å; H473-T476 VanDerWaalsContact ND1-OG1 3.09Å; H473-T476 WeakPolarHBondContact O-CA 3.28Å; H473-T476 VanDerWaalsContact O-CB 3.32Å; H473-T476 WeakPolarHBondContact O-CB 3.37Å; H473-T476 PolarHBondContact O-N 3.11Å; H473-T476 PolarHBondContact O-OG1 3.37Å; Q474-T476 PolarHBondContact O-N 3.47Å
477	H	90.8	Very high	91.7	Very high	94 Å²	94	72.9 Å²	72.9	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-91	-48.8	174.4	-56.6	-56.6	0	0	0	111.9	V459 C460 H473 Q474 G479	V459-H477 HydrophobicContact CG1-CB 4.17Å; C460-H477 WeakPolarHBondContact CB-NE2 3.33Å; C460-H477 PolarHBondContact SG-NE2 2.91Å; H473-H477 AromaticContact CE1-NE2 3.82Å; Q474-H477 WeakPolarHBondContact O-CB 3.49Å; Q474-H477 PolarHBondContact O-N 3.4Å; H477-G479 PolarHBondContact O-N 3.4Å
478	T	89.3	Confident	91.7	Very high	88 Å²	88	73.4 Å²	73.4	54%	0.54	38%	0.383	S	S	.	.	S	Bend	trans	-73.2	-9.3	179	58.2	0	0	0	0	113.5	Q474 R475 E480	Q474-T478 PolarHBondContact O-N 3.34Å; Q474-T478 VanDerWaalsContact O-N 3.1Å; Q474-T478 PolarHBondContact O-OG1 3.08Å; R475-T478 WeakPolarHBondContact CA-OG1 3.47Å; T478-E480 VanDerWaalsContact CB-OE1 3.31Å; T478-E480 WeakPolarHBondContact CB-OE1 3.15Å; T478-E480 PolarHBondContact O-N 2.77Å; T478-E480 VanDerWaalsContact O-N 3.09Å; T478-E480 VanDerWaalsContact OG1-CD 3.3Å; T478-E480 WeakPolarHBondContact OG1-CG 3.25Å; T478-E480 PolarHBondContact OG1-OE1 3.13Å
479	G	89	Confident	91.8	Very high	30 Å²	30	72.5 Å²	72.5	31%	0.309	38%	0.378	S	S	.	.			trans	82.6	-30.2	-179.2	0	0	0	0	0	114.6	R475 H477 K481 R493	R475-G479 CarbonylContact O-C 3.59Å; R475-G479 PolarHBondContact O-N 3.13Å; H477-G479 PolarHBondContact O-N 3.4Å; G479-K481 PolarHBondContact O-N 3.21Å; G479-R493 PolarHBondContact O-NE 3.13Å; G479-R493 PolarHBondContact O-NH2 2.87Å
480	E	90.6	Very high	91.8	Very high	86 Å²	86	74 Å²	74	40%	0.402	38%	0.381	S	S	.	.			trans	-23.1	119.2	-175.9	-81.6	169.1	-112.4	0	0	115.9	R475 T478 P482 R493	R475-E480 HydrophobicContact CB-CB 4.13Å; R475-E480 HydrophobicContact CG-CB 3.92Å; R475-E480 WeakPolarHBondContact CG-OE2 3.49Å; R475-E480 IonicContact NE-OE2 2.73Å; R475-E480 PolarHBondContact NE-OE2 3.03Å; T478-E480 VanDerWaalsContact CB-OE1 3.31Å; T478-E480 WeakPolarHBondContact CB-OE1 3.15Å; T478-E480 PolarHBondContact O-N 2.77Å; T478-E480 VanDerWaalsContact O-N 3.09Å; T478-E480 VanDerWaalsContact OG1-CD 3.3Å; T478-E480 WeakPolarHBondContact OG1-CG 3.25Å; T478-E480 PolarHBondContact OG1-OE1 3.13Å; E480-P482 WeakPolarHBondContact O-CD 3.28Å; E480-R493 VanDerWaalsContact O-CG 3.3Å; E480-R493 WeakPolarHBondContact O-CG 3.4Å
481	K	91.8	Very high	91.8	Very high	96 Å²	96	78.9 Å²	78.9	42%	0.417	40%	0.398	S	S	.	.			trans	-120.9	75.1	172	-70	168.1	147.4	-143.4	0	110.6	G479 Y483 E490 R491 F492 R493	G479-K481 PolarHBondContact O-N 3.21Å; K481-Y483 PolarHBondContact O-N 3.16Å; K481-E490 IonicContact NZ-OE2 3.59Å; K481-R491 HydrophobicContact CB-CB 3.58Å; K481-R491 HydrophobicContact CD-CB 4.04Å; K481-R491 WeakPolarHBondContact CD-O 3.36Å; K481-R491 WeakPolarHBondContact CE-O 3.44Å; K481-R491 HydrophobicContact CG-CB 4.4Å; K481-R491 WeakPolarHBondContact CG-O 3.34Å; K481-R491 PolarHBondContact NZ-O 3.35Å; K481-R491 PolarHBondContact O-NE 3.1Å; K481-F492 CarbonylContact C-O 3.54Å; K481-F492 VanDerWaalsContact C-O 3.31Å; K481-F492 WeakPolarHBondContact CA-O 3.41Å; K481-R493 HydrophobicContact CG-CG 3.94Å
482	P	90.7	Very high	91.8	Very high	49 Å²	49	76.5 Å²	76.5	32%	0.318	38%	0.384	S	S	.	.			trans	-61.2	-43.6	-173.7	-24.3	35.4	0	0	0	112.8	E480 K484 R491	E480-P482 WeakPolarHBondContact O-CD 3.28Å; P482-K484 PolarHBondContact O-N 2.97Å; P482-R491 PolarHBondContact O-NH2 3.18Å
483	Y	93.3	Very high	91.7	Very high	78 Å²	78	76.2 Å²	76.2	31%	0.306	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	101	-169.1	-47.8	-77	0	0	0	111.4	R475 K481 R491 F492 S495	R475-Y483 PolarHBondContact NH1-OH 3.25Å; K481-Y483 PolarHBondContact O-N 3.16Å; Y483-R491 WeakPolarHBondContact O-CA 3.26Å; Y483-F492 WeakPolarHBondContact CD2-O 3.36Å; Y483-F492 PolarHBondContact N-O 3Å; Y483-F492 PolarHBondContact O-N 3.31Å; Y483-S495 VanDerWaalsContact CD2-N 3.29Å
484	K	93.2	Very high	91.6	Very high	113 Å²	113	77.5 Å²	77.5	49%	0.491	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.6	175.3	-174.1	-178.9	178.4	-173.2	0	111.1	P482 E490 R491 L498	P482-K484 PolarHBondContact O-N 2.97Å; K484-E490 CarbonylContact C-O 3.52Å; K484-R491 HydrophobicContact CB-CG 4.16Å; K484-R491 HydrophobicContact CG-CG 4.15Å; K484-L498 WeakPolarHBondContact O-CD2 3.47Å
485	C	93.9	Very high	91.6	Very high	1 Å²	1	76.8 Å²	76.8	1%	0.007	39%	0.39	C	S	.	.			trans	-82	124.4	165	-169.6	0	0	0	0	109.4	Q487 G489 E490 F492 L498	C485-Q487 VanDerWaalsContact C-N 3.3Å; C485-Q487 PolarHBondContact O-N 3.13Å; C485-G489 WeakPolarHBondContact O-CA 3.31Å; C485-G489 PolarHBondContact O-N 2.89Å; C485-E490 WeakPolarHBondContact CB-O 3.39Å; C485-E490 PolarHBondContact N-O 2.95Å; C485-F492 HydrophobicContact CB-CE2 4.38Å; C485-L498 HydrophobicContact CB-CD1 3.62Å
486	L	91.6	Very high	91.5	Very high	155 Å²	155	78.6 Å²	78.6	81%	0.812	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.1	179.6	-58.5	178.7	0	0	0	113
487	Q	89.6	Confident	91.6	Very high	154 Å²	154	79 Å²	79	72%	0.72	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-28.8	-176.4	-63.6	-62.1	-21.1	0	0	114.1	C485	C485-Q487 VanDerWaalsContact C-N 3.3Å; C485-Q487 PolarHBondContact O-N 3.13Å
488	C	92.3	Very high	91.7	Very high	65 Å²	65	75.5 Å²	75.5	44%	0.439	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141	10.2	-177.5	66.7	0	0	0	0	114.5	E490 H501 H505	C488-E490 PolarHBondContact O-N 3.3Å; C488-H501 PolarHBondContact SG-NE2 2.89Å; C488-H505 PolarHBondContact SG-NE2 3.27Å
489	G	90.5	Very high	91.8	Very high	34 Å²	34	75 Å²	75	35%	0.351	38%	0.384	S	S	.	.			trans	74.4	-16.2	178.8	0	0	0	0	0	116.4	C485 R491	C485-G489 WeakPolarHBondContact O-CA 3.31Å; C485-G489 PolarHBondContact O-N 2.89Å; G489-R491 WeakPolarHBondContact O-CG 3.41Å
490	E	92.8	Very high	92	Very high	94 Å²	94	81.3 Å²	81.3	44%	0.439	40%	0.399	S	S	.	.			trans	-55.8	140.2	-174.5	-102.1	-57.6	156.7	0	0	113.8	K481 K484 C485 C488 F492	K481-E490 IonicContact NZ-OE2 3.59Å; K484-E490 CarbonylContact C-O 3.52Å; C485-E490 WeakPolarHBondContact CB-O 3.39Å; C485-E490 PolarHBondContact N-O 2.95Å; C488-E490 PolarHBondContact O-N 3.3Å; E490-F492 HydrophobicContact CB-CE2 3.89Å; E490-F492 HydrophobicContact CB-CZ 4.02Å
491	R	94.1	Very high	92.1	Very high	124 Å²	124	78.7 Å²	78.7	47%	0.468	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.2	-171.8	-58.3	-167.4	73.1	144.1	9.9	112.1	K481 P482 Y483 K484 G489	K481-R491 HydrophobicContact CB-CB 3.58Å; K481-R491 HydrophobicContact CD-CB 4.04Å; K481-R491 WeakPolarHBondContact CD-O 3.36Å; K481-R491 WeakPolarHBondContact CE-O 3.44Å; K481-R491 HydrophobicContact CG-CB 4.4Å; K481-R491 WeakPolarHBondContact CG-O 3.34Å; K481-R491 PolarHBondContact NZ-O 3.35Å; K481-R491 PolarHBondContact O-NE 3.1Å; P482-R491 PolarHBondContact O-NH2 3.18Å; Y483-R491 WeakPolarHBondContact O-CA 3.26Å; K484-R491 HydrophobicContact CB-CG 4.16Å; K484-R491 HydrophobicContact CG-CG 4.15Å; G489-R491 WeakPolarHBondContact O-CG 3.41Å
492	F	91.6	Very high	92	Very high	37 Å²	37	77.9 Å²	77.9	16%	0.162	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.3	-173.5	-59.1	-87	0	0	0	112.5	K481 Y483 C485 E490 Q494 H497 L498 H501	K481-F492 CarbonylContact C-O 3.54Å; K481-F492 VanDerWaalsContact C-O 3.31Å; K481-F492 WeakPolarHBondContact CA-O 3.41Å; Y483-F492 WeakPolarHBondContact CD2-O 3.36Å; Y483-F492 PolarHBondContact N-O 3Å; Y483-F492 PolarHBondContact O-N 3.31Å; C485-F492 HydrophobicContact CB-CE2 4.38Å; E490-F492 HydrophobicContact CB-CE2 3.89Å; E490-F492 HydrophobicContact CB-CZ 4.02Å; F492-Q494 VanDerWaalsContact C-N 3.32Å; F492-H497 HydrophobicContact CB-CB 4.2Å; F492-H497 HydrophobicContact CD1-CB 3.79Å; F492-H497 HydrophobicContact CG-CB 4.24Å; F492-L498 HydrophobicContact CB-CB 4.39Å; F492-L498 HydrophobicContact CD2-CB 3.85Å; F492-L498 HydrophobicContact CD2-CD1 3.92Å; F492-L498 HydrophobicContact CD2-CG 4.47Å; F492-L498 HydrophobicContact CE2-CD1 4Å; F492-L498 HydrophobicContact CG-CB 4.25Å; F492-H501 HydrophobicContact CE1-CB 4.05Å; F492-H501 HydrophobicContact CE2-CB 4.12Å; F492-H501 AromaticContact CE2-CD2 3.55Å; F492-H501 AromaticContact CE2-CG 3.85Å; F492-H501 HydrophobicContact CZ-CB 3.57Å; F492-H501 AromaticContact CZ-CD2 3.52Å; F492-H501 AromaticContact CZ-CG 3.34Å; F492-H501 AromaticContact CZ-ND1 3.78Å
493	R	90.2	Very high	92.1	Very high	95 Å²	95	83.2 Å²	83.2	36%	0.358	40%	0.398	S	S	.	.	S	Bend	trans	-74.3	-19.2	175.8	-53.5	-162.1	166.6	146	-4.9	113.8	R475 G479 E480 K481	R475-R493 PolarHBondContact NH1-O 3.28Å; R475-R493 WeakPolarHBondContact O-CD 3.23Å; R475-R493 PolarHBondContact O-NE 2.73Å; G479-R493 PolarHBondContact O-NE 3.13Å; G479-R493 PolarHBondContact O-NH2 2.87Å; E480-R493 VanDerWaalsContact O-CG 3.3Å; E480-R493 WeakPolarHBondContact O-CG 3.4Å; K481-R493 HydrophobicContact CG-CG 3.94Å
494	Q	90.8	Very high	91.9	Very high	54 Å²	54	84.2 Å²	84.2	25%	0.252	41%	0.408	S	S	.	.	S	Bend	trans	-138.5	139.8	-177.8	-58.8	-167.3	45.3	0	0	111.3	F492 T496 H497 L498	F492-Q494 VanDerWaalsContact C-N 3.32Å; Q494-T496 VanDerWaalsContact C-N 3.29Å; Q494-T496 PolarHBondContact O-N 3.45Å; Q494-H497 WeakPolarHBondContact O-CB 3.49Å; Q494-H497 PolarHBondContact O-N 3.27Å; Q494-H497 VanDerWaalsContact O-N 3.09Å; Q494-L498 PolarHBondContact O-N 3.34Å
495	S	91.8	Very high	91.5	Very high	57 Å²	57	81.1 Å²	81.1	40%	0.399	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-33.4	179.4	52.2	0	0	0	0	113.1	Y483 H497 L498 V499	Y483-S495 VanDerWaalsContact CD2-N 3.29Å; S495-H497 PolarHBondContact O-N 3.44Å; S495-L498 PolarHBondContact O-N 3.34Å; S495-V499 WeakPolarHBondContact O-CG2 3.24Å; S495-V499 PolarHBondContact O-N 3.14Å
496	T	92.2	Very high	90.7	Very high	82 Å²	82	90.7 Å²	90.7	50%	0.503	43%	0.431	S	S	.	.	H	α-helix	trans	-59.4	-32.5	173.7	48.7	0	0	0	0	113	Q494 R500	Q494-T496 VanDerWaalsContact C-N 3.29Å; Q494-T496 PolarHBondContact O-N 3.45Å; T496-R500 WeakPolarHBondContact O-CB 3.47Å; T496-R500 PolarHBondContact O-N 2.91Å; T496-R500 VanDerWaalsContact O-N 3.09Å
497	H	93.4	Very high	89.6	Confident	74 Å²	74	89.3 Å²	89.3	34%	0.343	42%	0.424	S	S	.	.	H	α-helix	trans	-75.6	-39.6	176.5	-65.3	-173.6	0	0	0	111.1	F492 Q494 S495 R500 H501	F492-H497 HydrophobicContact CB-CB 4.2Å; F492-H497 HydrophobicContact CD1-CB 3.79Å; F492-H497 HydrophobicContact CG-CB 4.24Å; Q494-H497 WeakPolarHBondContact O-CB 3.49Å; Q494-H497 PolarHBondContact O-N 3.27Å; Q494-H497 VanDerWaalsContact O-N 3.09Å; S495-H497 PolarHBondContact O-N 3.44Å; H497-R500 PolarHBondContact O-N 2.69Å; H497-H501 WeakPolarHBondContact O-CB 3.39Å; H497-H501 PolarHBondContact O-N 2.9Å
498	L	93.2	Very high	88.2	Confident	19 Å²	19	86.6 Å²	86.6	10%	0.099	42%	0.418	C	S	.	.	H	α-helix	trans	-60.4	-49	171.6	173.2	60	0	0	0	111.2	K484 C485 F492 Q494 S495 R500 H501 Q502	K484-L498 WeakPolarHBondContact O-CD2 3.47Å; C485-L498 HydrophobicContact CB-CD1 3.62Å; F492-L498 HydrophobicContact CB-CB 4.39Å; F492-L498 HydrophobicContact CD2-CB 3.85Å; F492-L498 HydrophobicContact CD2-CD1 3.92Å; F492-L498 HydrophobicContact CD2-CG 4.47Å; F492-L498 HydrophobicContact CE2-CD1 4Å; F492-L498 HydrophobicContact CG-CB 4.25Å; Q494-L498 PolarHBondContact O-N 3.34Å; S495-L498 PolarHBondContact O-N 3.34Å; L498-R500 VanDerWaalsContact C-N 3.29Å; L498-R500 PolarHBondContact O-N 3.45Å; L498-H501 CarbonylContact O-C 3.18Å; L498-H501 PolarHBondContact O-N 3.33Å; L498-H501 VanDerWaalsContact O-N 3.1Å; L498-Q502 HydrophobicContact CD1-CG 3.95Å; L498-Q502 HydrophobicContact CG-CG 4.33Å; L498-Q502 WeakPolarHBondContact O-CB 3.16Å; L498-Q502 WeakPolarHBondContact O-CG 3.35Å; L498-Q502 PolarHBondContact O-N 3.41Å
499	V	92.1	Very high	86.4	Confident	78 Å²	78	89.3 Å²	89.3	47%	0.473	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-33.5	179.4	171.7	0	0	0	0	112.2	S495	S495-V499 WeakPolarHBondContact O-CG2 3.24Å; S495-V499 PolarHBondContact O-N 3.14Å
500	R	92.5	Very high	84	Confident	162 Å²	162	95.7 Å²	95.7	61%	0.611	47%	0.472	S	S	*	.	H	α-helix	trans	-68.5	-45.1	171.3	-176.9	174.7	64.5	-168.3	-0.7	111.6	T496 H497 L498 R503	T496-R500 WeakPolarHBondContact O-CB 3.47Å; T496-R500 PolarHBondContact O-N 2.91Å; T496-R500 VanDerWaalsContact O-N 3.09Å; H497-R500 PolarHBondContact O-N 2.69Å; L498-R500 VanDerWaalsContact C-N 3.29Å; L498-R500 PolarHBondContact O-N 3.45Å; R500-R503 VanDerWaalsContact O-CB 3.32Å; R500-R503 WeakPolarHBondContact O-CB 3.45Å; R500-R503 PolarHBondContact O-N 3.19Å
501	H	92.4	Very high	83.6	Confident	32 Å²	32	95.8 Å²	95.8	15%	0.148	47%	0.473	C	S	.	.	H	α-helix	trans	-65.2	-36.5	178.7	166.9	79.7	0	0	0	112.7	C488 F492 H497 L498 R503 I504 H505	C488-H501 PolarHBondContact SG-NE2 2.89Å; F492-H501 HydrophobicContact CE1-CB 4.05Å; F492-H501 HydrophobicContact CE2-CB 4.12Å; F492-H501 AromaticContact CE2-CD2 3.55Å; F492-H501 AromaticContact CE2-CG 3.85Å; F492-H501 HydrophobicContact CZ-CB 3.57Å; F492-H501 AromaticContact CZ-CD2 3.52Å; F492-H501 AromaticContact CZ-CG 3.34Å; F492-H501 AromaticContact CZ-ND1 3.78Å; H497-H501 WeakPolarHBondContact O-CB 3.39Å; H497-H501 PolarHBondContact O-N 2.9Å; L498-H501 CarbonylContact O-C 3.18Å; L498-H501 PolarHBondContact O-N 3.33Å; L498-H501 VanDerWaalsContact O-N 3.1Å; H501-R503 PolarHBondContact O-N 3.32Å; H501-R503 VanDerWaalsContact O-N 3.09Å; H501-I504 VanDerWaalsContact O-CB 3.29Å; H501-I504 WeakPolarHBondContact O-CB 3.23Å; H501-I504 WeakPolarHBondContact O-CG1 3.48Å; H501-I504 PolarHBondContact O-N 2.96Å; H501-H505 AromaticContact CD2-NE2 3.78Å; H501-H505 AromaticContact CE1-NE2 3.44Å; H501-H505 PolarHBondContact CE1-NE2 3.32Å; H501-H505 AromaticContact NE2-CD2 3.77Å; H501-H505 AromaticContact NE2-NE2 2.98Å; H501-H505 PolarHBondContact NE2-NE2 3.35Å
502	Q	90.8	Very high	83	Confident	78 Å²	78	94.3 Å²	94.3	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-60	-17.1	173.3	-77.3	171.5	-34.2	0	0	113.8	L498 I504 R506	L498-Q502 HydrophobicContact CD1-CG 3.95Å; L498-Q502 HydrophobicContact CG-CG 4.33Å; L498-Q502 WeakPolarHBondContact O-CB 3.16Å; L498-Q502 WeakPolarHBondContact O-CG 3.35Å; L498-Q502 PolarHBondContact O-N 3.41Å; Q502-I504 VanDerWaalsContact C-N 3.33Å; Q502-R506 PolarHBondContact O-N 3.04Å
503	R	91.3	Very high	82.5	Confident	161 Å²	161	97.4 Å²	97.4	61%	0.608	49%	0.491	S	S	*	.	H	α-helix	trans	-71.7	-27.7	171.1	-57.8	-179.4	-176.7	-167	-3.7	112.4	R500 H501 R506 N507	R500-R503 VanDerWaalsContact O-CB 3.32Å; R500-R503 WeakPolarHBondContact O-CB 3.45Å; R500-R503 PolarHBondContact O-N 3.19Å; H501-R503 PolarHBondContact O-N 3.32Å; H501-R503 VanDerWaalsContact O-N 3.09Å; R503-R506 PolarHBondContact O-N 3.32Å; R503-N507 WeakPolarHBondContact O-CB 3.43Å; R503-N507 PolarHBondContact O-N 3.33Å; R503-N507 PolarHBondContact O-OD1 2.84Å; R503-N507 VanDerWaalsContact O-OD1 3.04Å
504	I	89.2	Confident	82.1	Confident	100 Å²	100	97.6 Å²	97.6	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-53.9	176.4	-55.1	173.1	0	0	0	108.3	H501 Q502 R506 N507 T508	H501-I504 VanDerWaalsContact O-CB 3.29Å; H501-I504 WeakPolarHBondContact O-CB 3.23Å; H501-I504 WeakPolarHBondContact O-CG1 3.48Å; H501-I504 PolarHBondContact O-N 2.96Å; Q502-I504 VanDerWaalsContact C-N 3.33Å; I504-R506 PolarHBondContact O-N 2.89Å; I504-R506 VanDerWaalsContact O-N 3.17Å; I504-N507 CarbonylContact O-C 3.23Å; I504-N507 PolarHBondContact O-N 2.74Å; I504-T508 WeakPolarHBondContact O-CG2 3.41Å; I504-T508 PolarHBondContact O-N 2.98Å; I504-T508 PolarHBondContact O-OG1 3.1Å
505	H	86.1	Confident	81.5	Confident	47 Å²	47	100.3 Å²	100.3	22%	0.218	51%	0.514	C	S	.	.	H	α-helix	trans	-61.4	-23.6	176.9	-56.5	-56.3	0	0	0	114.6	C488 H501 T508 V509	C488-H505 PolarHBondContact SG-NE2 3.27Å; H501-H505 AromaticContact CD2-NE2 3.78Å; H501-H505 AromaticContact CE1-NE2 3.44Å; H501-H505 PolarHBondContact CE1-NE2 3.32Å; H501-H505 AromaticContact NE2-CD2 3.77Å; H501-H505 AromaticContact NE2-NE2 2.98Å; H501-H505 PolarHBondContact NE2-NE2 3.35Å; H505-T508 PolarHBondContact O-OG1 2.83Å; H505-V509 WeakPolarHBondContact O-CG2 3.44Å
506	R	77.1	Confident	80.9	Confident	202 Å²	202	103.2 Å²	103.2	76%	0.762	52%	0.522	S	S	*	.	H	α-helix	trans	-81.9	-22.1	173	-78.4	-179.1	169.5	167.2	-2.8	113.5	Q502 R503 I504	Q502-R506 PolarHBondContact O-N 3.04Å; R503-R506 PolarHBondContact O-N 3.32Å; I504-R506 PolarHBondContact O-N 2.89Å; I504-R506 VanDerWaalsContact O-N 3.17Å
507	N	67.1	Low	80.1	Confident	126 Å²	126	104.7 Å²	104.7	67%	0.674	52%	0.523	S	S	*	.	S	Bend	trans	-98.1	4.5	179.9	-67	20.2	0	0	0	112.3	R503 I504	R503-N507 WeakPolarHBondContact O-CB 3.43Å; R503-N507 PolarHBondContact O-N 3.33Å; R503-N507 PolarHBondContact O-OD1 2.84Å; R503-N507 VanDerWaalsContact O-OD1 3.04Å; I504-N507 CarbonylContact O-C 3.23Å; I504-N507 PolarHBondContact O-N 2.74Å
508	T	60.5	Low	79	Confident	97 Å²	97	107.1 Å²	107.1	60%	0.595	54%	0.537	S	S	*	.	S	Bend	trans	-116.2	17.5	174.9	57.8	0	0	0	0	112.3	I504 H505	I504-T508 WeakPolarHBondContact O-CG2 3.41Å; I504-T508 PolarHBondContact O-N 2.98Å; I504-T508 PolarHBondContact O-OG1 3.1Å; H505-T508 PolarHBondContact O-OG1 2.83Å
509	V	54.8	Low	77.8	Confident	122 Å²	122	114.4 Å²	114.4	74%	0.739	57%	0.573	S	S	*	*			trans	-128.8	66.2	175.7	-174.5	0	0	0	0	107.8	H505	H505-V509 WeakPolarHBondContact O-CG2 3.44Å
510	S	40.3	Very low	76.5	Confident	168 Å²	168	117.7 Å²	117.7	100%	1.175	58%	0.582	S	S	*	*			trans	-165.4	0	178.9	58.7	0	0	0	0	108.6

Retrieved 510 of 510 residues in 351.5 ms (Link to these results)

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