A0A087XD61_POEFO Loading...

Ral transcription factor IIIC subunit 4

AlphaFold DB , UniProt , Accession A0A087XD61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 769 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	34.1	Very low	27.4	Very low	247 Å²	247	130.9 Å²	130.9	100%	1.217	85%	0.854	S	S	*	*				0	112.9	0	-81.7	-136	-80.7	0	0	108.8
2	A	28.8	Very low	27.4	Very low	108 Å²	108	130.6 Å²	130.6	89%	0.893	85%	0.852	S	S	*	*			trans	148.1	109.4	156.2	0	0	0	0	0	106.9
3	A	23.4	Very low	27.3	Very low	99 Å²	99	135.5 Å²	135.5	82%	0.818	86%	0.856	S	S	*	*			trans	-97.2	148.3	-174.1	0	0	0	0	0	111.4
4	A	27.8	Very low	27.3	Very low	104 Å²	104	132.9 Å²	132.9	86%	0.86	85%	0.845	S	S	*	*			trans	39.7	123.1	142.7	0	0	0	0	0	121.5
5	S	23.4	Very low	27.2	Very low	117 Å²	117	128.7 Å²	128.7	82%	0.818	84%	0.836	S	S	*	*			trans	-147.9	116.8	135.9	54.4	0	0	0	0	109.5
6	L	33.4	Very low	27	Very low	173 Å²	173	129.8 Å²	129.8	91%	0.906	83%	0.833	S	S	*	*			trans	-77.6	149.9	163.9	-88.2	148.1	0	0	0	109.2
7	P	26.4	Very low	27	Very low	108 Å²	108	130.1 Å²	130.1	70%	0.701	83%	0.831	S	S	*	*			trans	-136.7	138.1	133.1	28.3	-10.6	0	0	0	114.5
8	D	23.4	Very low	26.8	Very low	157 Å²	157	127.4 Å²	127.4	84%	0.84	82%	0.823	S	S	*	*			trans	49.5	111.5	144.8	-64.5	-20.5	0	0	0	122.1
9	S	28.5	Very low	26.9	Very low	126 Å²	126	128.2 Å²	128.2	88%	0.881	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66.4	116.1	162.1	49.9	0	0	0	0	112.2
10	A	25.1	Very low	26.8	Very low	89 Å²	89	131.9 Å²	131.9	74%	0.736	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-102.9	145.1	158.4	0	0	0	0	0	109.6
11	P	27	Very low	27.1	Very low	112 Å²	112	131.4 Å²	131.4	73%	0.727	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-72.4	154.7	-170.6	31.1	-33.9	0	0	0	111.7	E13	P11-E13 PolarHBondContact O-N 3Å
12	P	27.4	Very low	26.6	Very low	127 Å²	127	128.2 Å²	128.2	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.3	120.1	176.8	28	-31.1	0	0	0	109.9	S14	P12-S14 PolarHBondContact O-N 3.32Å
13	E	25.5	Very low	26.8	Very low	195 Å²	195	128.6 Å²	128.6	91%	0.911	79%	0.793	S	S	*	*			trans	-61.2	114.9	165.2	-73.2	-173.6	159.6	0	0	108.9	P11 G15	P11-E13 PolarHBondContact O-N 3Å; E13-G15 VanDerWaalsContact C-N 3.34Å; E13-G15 PolarHBondContact O-N 3.28Å
14	S	27.4	Very low	27	Very low	99 Å²	99	132.2 Å²	132.2	69%	0.692	80%	0.798	S	S	*	*			trans	-68.4	87.3	172.3	54.1	0	0	0	0	110.2	P12 N16	P12-S14 PolarHBondContact O-N 3.32Å; S14-N16 VanDerWaalsContact C-N 3.27Å; S14-N16 PolarHBondContact O-N 3.07Å; S14-N16 VanDerWaalsContact O-N 3.08Å
15	G	26	Very low	27.3	Very low	69 Å²	69	135.2 Å²	135.2	71%	0.711	80%	0.799	S	S	*	*			trans	-76.7	77.8	162.9	0	0	0	0	0	110.2	E13 V17	E13-G15 VanDerWaalsContact C-N 3.34Å; E13-G15 PolarHBondContact O-N 3.28Å; G15-V17 PolarHBondContact O-N 2.91Å
16	N	24.9	Very low	27.5	Very low	147 Å²	147	133 Å²	133	79%	0.786	80%	0.796	S	S	*	*			trans	-59.6	98	171	-78.3	-27.2	0	0	0	109.6	S14 A18	S14-N16 VanDerWaalsContact C-N 3.27Å; S14-N16 PolarHBondContact O-N 3.07Å; S14-N16 VanDerWaalsContact O-N 3.08Å; N16-A18 PolarHBondContact O-N 3.45Å
17	V	26.8	Very low	27.3	Very low	134 Å²	134	133 Å²	133	81%	0.812	80%	0.797	S	S	*	*			trans	-73.7	87.7	159.6	179.6	0	0	0	0	106.5	G15 I19	G15-V17 PolarHBondContact O-N 2.91Å; V17-I19 PolarHBondContact O-N 3.17Å; V17-I19 VanDerWaalsContact O-N 3.14Å
18	A	23.6	Very low	27.7	Very low	83 Å²	83	131.6 Å²	131.6	69%	0.686	80%	0.801	S	S	*	*			trans	-68	105.8	170.8	0	0	0	0	0	108.9	N16 K20	N16-A18 PolarHBondContact O-N 3.45Å; A18-K20 PolarHBondContact O-N 2.99Å; A18-K20 VanDerWaalsContact O-N 3.12Å
19	I	29	Very low	28	Very low	142 Å²	142	130.2 Å²	130.2	73%	0.728	80%	0.798	S	S	*	*			trans	-67.5	103.3	163.3	-61.3	171.3	0	0	0	106.1	V17 T21	V17-I19 PolarHBondContact O-N 3.17Å; V17-I19 VanDerWaalsContact O-N 3.14Å; I19-T21 HydrophobicContact CG2-CG2 4.18Å; I19-T21 PolarHBondContact O-N 3.45Å; I19-T21 VanDerWaalsContact O-N 3.15Å
20	K	24.4	Very low	27.9	Very low	202 Å²	202	129.5 Å²	129.5	88%	0.878	79%	0.79	S	S	*	*			trans	-74	100.3	169.7	-84.3	-175.1	174	-177.5	0	108.9	A18	A18-K20 PolarHBondContact O-N 2.99Å; A18-K20 VanDerWaalsContact O-N 3.12Å
21	T	32.4	Very low	28	Very low	121 Å²	121	130.5 Å²	130.5	74%	0.742	79%	0.79	S	S	*	*			trans	-103.5	82	162.2	36	0	0	0	0	109.1	I19	I19-T21 HydrophobicContact CG2-CG2 4.18Å; I19-T21 PolarHBondContact O-N 3.45Å; I19-T21 VanDerWaalsContact O-N 3.15Å
22	E	25	Very low	28.3	Very low	180 Å²	180	131 Å²	131	84%	0.841	79%	0.791	S	S	*	*			trans	-150.7	138.9	154.5	-70.7	-164	165.2	0	0	109.2
23	P	31.2	Very low	28.6	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	79%	0.788	S	S	*	*			trans	-78.6	130.6	177.2	31.5	-29.3	0	0	0	110	D25	P23-D25 PolarHBondContact O-N 3.36Å
24	L	29.1	Very low	29.6	Very low	176 Å²	176	132 Å²	132	92%	0.921	79%	0.785	S	S	*	*			trans	-77.6	109	164.8	-77.4	161.4	0	0	0	107.6	G26	L24-G26 PolarHBondContact O-N 3.27Å
25	D	34.2	Very low	30.9	Very low	166 Å²	166	132.7 Å²	132.7	89%	0.888	78%	0.781	S	S	*	*			trans	-61	116	166.3	-75.3	-39.6	0	0	0	109	P23	P23-D25 PolarHBondContact O-N 3.36Å
26	G	27.7	Very low	32.4	Very low	72 Å²	72	134.2 Å²	134.2	74%	0.742	78%	0.776	S	S	*	*			trans	-141	128.8	176.1	0	0	0	0	0	109.3	L24	L24-G26 PolarHBondContact O-N 3.27Å
27	D	29.2	Very low	34.6	Very low	173 Å²	173	127.9 Å²	127.9	93%	0.925	74%	0.743	S	S	*	*			trans	-48.2	142.5	-166.4	-76.7	-48.8	0	0	0	117.7
28	G	34.9	Very low	37.4	Very low	77 Å²	77	124.7 Å²	124.7	79%	0.794	72%	0.723	S	S	*	*				84.7	41.6	125.7	0	0	0	0	0	119.3
29	V	28.4	Very low	40.5	Very low	128 Å²	128	123.4 Å²	123.4	78%	0.776	70%	0.703	S	S	*	*			trans	-134.5	121.7	155.1	-175.7	0	0	0	0	108
30	P	26.3	Very low	43.4	Very low	111 Å²	111	117.2 Å²	117.2	72%	0.721	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-60	131.1	175.4	24.4	-30.8	0	0	0	108.5	T32	P30-T32 PolarHBondContact O-N 3Å
31	P	28.6	Very low	46.5	Very low	111 Å²	111	111.3 Å²	111.3	72%	0.721	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.9	125.8	177.5	22.5	-30.6	0	0	0	108.6
32	T	31.9	Very low	49.3	Very low	123 Å²	123	107.4 Å²	107.4	76%	0.755	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-48.3	133.8	164.3	45.1	0	0	0	0	108.2	P30 R34	P30-T32 PolarHBondContact O-N 3Å; T32-R34 PolarHBondContact O-N 2.9Å
33	P	34.6	Very low	52.5	Low	116 Å²	116	100.4 Å²	100.4	75%	0.753	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-53.1	120.1	-175	19.9	-30.1	0	0	0	108.8	D35	P33-D35 PolarHBondContact O-N 2.79Å
34	R	45.5	Very low	55.5	Low	225 Å²	225	95 Å²	95	85%	0.849	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-61.7	119.2	177.8	-69.9	-179.7	176.8	178.7	-0.9	107.2	T32 V36	T32-R34 PolarHBondContact O-N 2.9Å; R34-V36 PolarHBondContact O-N 3.32Å
35	D	54.6	Low	58.6	Low	114 Å²	114	89.9 Å²	89.9	61%	0.61	54%	0.536	S	S	*	.			trans	-63.4	97.6	179.7	-69.2	-37.4	0	0	0	109.7	P33 T500	P33-D35 PolarHBondContact O-N 2.79Å; D35-T500 WeakPolarHBondContact OD1-CG2 3.4Å
36	V	59.2	Low	61.4	Low	101 Å²	101	83.1 Å²	83.1	61%	0.612	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-74.1	124.9	173.1	-179	0	0	0	0	107.5	R34 V38 A450	R34-V36 PolarHBondContact O-N 3.32Å; V36-V38 WeakPolarHBondContact O-CG2 3.49Å; V36-V38 PolarHBondContact O-N 2.95Å; V36-A450 HydrophobicContact CG1-CB 4.37Å
37	P	71.2	Confident	64.3	Low	14 Å²	14	87.5 Å²	87.5	9%	0.091	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-58.9	122.3	177.6	-15.3	27.1	0	0	0	110	L449 A450 L496 M497	P37-L449 HydrophobicContact CB-CD1 4.45Å; P37-L449 HydrophobicContact CB-CG 4.46Å; P37-L449 HydrophobicContact CG-CD1 3.5Å; P37-L449 VanDerWaalsContact CG-CD1 3.5Å; P37-L449 HydrophobicContact CG-CD2 4.41Å; P37-L449 HydrophobicContact CG-CG 3.62Å; P37-A450 WeakPolarHBondContact CG-O 3.49Å; P37-L496 HydrophobicContact CB-CB 4.5Å; P37-M497 WeakPolarHBondContact CA-O 3.35Å
38	V	84.3	Confident	67.3	Low	67 Å²	67	80.5 Å²	80.5	41%	0.406	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.1	-179.6	-177	0	0	0	0	109.2	V36 M497	V36-V38 WeakPolarHBondContact O-CG2 3.49Å; V36-V38 PolarHBondContact O-N 2.95Å; V38-M497 HydrophobicContact CB-CB 4.22Å; V38-M497 WeakPolarHBondContact O-CB 3.43Å; V38-M497 PolarHBondContact O-N 3.26Å
39	K	88.5	Confident	69.9	Low	57 Å²	57	79.8 Å²	79.8	25%	0.248	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	138.2	171.9	-177.9	-179	171.4	-173	0	110.5	P452 T454 L496	K39-P452 HydrophobicContact CB-CB 4.36Å; K39-P452 HydrophobicContact CB-CG 4.01Å; K39-T454 WeakPolarHBondContact CD-OG1 3.49Å; K39-T454 PolarHBondContact NZ-OG1 3.42Å; K39-L496 HydrophobicContact CB-CD2 3.96Å; K39-L496 HydrophobicContact CG-CD2 4.27Å
40	R	91.2	Very high	73	Confident	12 Å²	12	74.7 Å²	74.7	5%	0.045	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.2	177.5	-63.9	-71.3	-71.8	135.4	0.3	110.8	Q86 L88 Y471 F495 M497 W528	R40-Q86 PolarHBondContact NH1-O 3.15Å; R40-Q86 PolarHBondContact NH2-O 3.33Å; R40-L88 HydrophobicContact CB-CD1 3.79Å; R40-L88 HydrophobicContact CB-CG 4.17Å; R40-Y471 HydrophobicContact CG-CD1 4.44Å; R40-Y471 HydrophobicContact CG-CE1 3.98Å; R40-F495 HydrophobicContact CB-CB 4.19Å; R40-F495 PolarHBondContact N-O 2.91Å; R40-M497 HydrophobicContact CG-CE 4.41Å; R40-W528 VanDerWaalsContact CZ-CD1 3.46Å; R40-W528 VanDerWaalsContact NH2-CD1 3.35Å
41	D	89.6	Confident	76.1	Confident	78 Å²	78	70.1 Å²	70.1	42%	0.417	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	154.9	171.4	-74.2	-48.3	0	0	0	110.7	L88	D41-L88 PolarHBondContact O-N 3.31Å
42	P	90.6	Very high	78.9	Confident	38 Å²	38	66.5 Å²	66.5	25%	0.247	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-84.2	147.3	1.9	34	-32.6	0	0	0	112.6	V44 L88 L90	P42-V44 HydrophobicContact CG-CG2 4.43Å; P42-V44 PolarHBondContact O-N 2.7Å; P42-L88 VanDerWaalsContact CD-O 3.24Å; P42-L88 WeakPolarHBondContact CD-O 3.43Å; P42-L90 HydrophobicContact CG-CD1 4.31Å
43	V	91.6	Very high	81.2	Confident	33 Å²	33	66.8 Å²	66.8	20%	0.2	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.1	159.2	179.6	0	0	0	0	108.4	P45 Q492	V43-P45 WeakPolarHBondContact O-CD 3.26Å; V43-Q492 HydrophobicContact CG1-CB 3.79Å; V43-Q492 HydrophobicContact CG1-CG 4.08Å
44	V	93.7	Very high	83.7	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112	-173.9	174.8	0	0	0	0	110.2	P42 L75 L90 Q492 I493 F495	P42-V44 HydrophobicContact CG-CG2 4.43Å; P42-V44 PolarHBondContact O-N 2.7Å; V44-L75 HydrophobicContact CB-CD1 4.27Å; V44-L75 HydrophobicContact CG1-CD1 3.96Å; V44-L75 HydrophobicContact CG1-CD2 4.13Å; V44-L75 HydrophobicContact CG2-CD1 4.22Å; V44-L90 HydrophobicContact CG2-CD1 3.63Å; V44-Q492 CarbonylContact O-C 3.46Å; V44-Q492 WeakPolarHBondContact O-CA 3.26Å; V44-I493 HydrophobicContact CB-CB 4.19Å; V44-I493 HydrophobicContact CG1-CD1 4.32Å; V44-I493 PolarHBondContact N-O 2.67Å; V44-I493 PolarHBondContact O-N 2.66Å; V44-F495 HydrophobicContact CG2-CE2 4.19Å
45	P	94	Very high	85.9	Confident	70 Å²	70	51.2 Å²	51.2	46%	0.455	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.9	172.7	30.2	-33.9	0	0	0	110.6	V43	V43-P45 WeakPolarHBondContact O-CD 3.26Å
46	L	93.1	Very high	87.9	Confident	23 Å²	23	46 Å²	46	12%	0.12	27%	0.269	C	S	.	.			trans	-88.9	140.6	172.1	-70.7	174.1	0	0	0	110.3	S48 V50 V66 T68 V475 Y491 I493	L46-S48 VanDerWaalsContact C-N 3.26Å; L46-S48 PolarHBondContact O-N 3.01Å; L46-V50 HydrophobicContact CD1-CG2 3.73Å; L46-V66 HydrophobicContact CD1-CG1 3.85Å; L46-V66 HydrophobicContact CD2-CB 4.47Å; L46-V66 HydrophobicContact CD2-CG1 4.25Å; L46-T68 HydrophobicContact CD1-CG2 4.43Å; L46-T68 HydrophobicContact CD2-CG2 4.33Å; L46-V475 HydrophobicContact CD1-CG1 3.95Å; L46-Y491 PolarHBondContact N-O 3.28Å; L46-I493 HydrophobicContact CD1-CD1 4.48Å; L46-I493 HydrophobicContact CD1-CG1 4.28Å; L46-I493 HydrophobicContact CD2-CD1 3.74Å; L46-I493 HydrophobicContact CD2-CG1 4.34Å; L46-I493 HydrophobicContact CG-CD1 4.16Å; L46-I493 HydrophobicContact CG-CG1 4.22Å
47	L	89.9	Confident	89.6	Confident	165 Å²	165	43.3 Å²	43.3	86%	0.864	25%	0.248	S	C	*	.	S	Bend	trans	-76.1	-15.8	180	-61	178.2	0	0	0	112.9
48	S	90.7	Very high	90.7	Very high	25 Å²	25	44 Å²	44	18%	0.175	25%	0.249	C	C	.	.	S	Bend	trans	-147.4	156.3	-176.7	-65.2	0	0	0	0	111.1	L46 S70	L46-S48 VanDerWaalsContact C-N 3.26Å; L46-S48 PolarHBondContact O-N 3.01Å; S48-S70 WeakPolarHBondContact CB-OG 3.48Å; S48-S70 WeakPolarHBondContact OG-CB 3.47Å; S48-S70 PolarHBondContact OG-OG 2.8Å
49	P	91.3	Very high	91.2	Very high	63 Å²	63	41 Å²	41	41%	0.409	23%	0.23	S	C	.	.			trans	-55.5	144.7	176.5	-26.7	34.6	0	0	0	113.3	T68 S69 Y491	P49-T68 CarbonylContact O-C 3.5Å; P49-T68 WeakPolarHBondContact O-CA 3.48Å; P49-T68 VanDerWaalsContact O-CB 3.27Å; P49-T68 WeakPolarHBondContact O-CB 3.38Å; P49-S69 WeakPolarHBondContact CD-OG 3.29Å; P49-S69 PolarHBondContact O-N 3.07Å; P49-Y491 HydrophobicContact CB-CD2 4.23Å; P49-Y491 HydrophobicContact CB-CE2 3.65Å; P49-Y491 HydrophobicContact CG-CE2 4.19Å
50	V	92.1	Very high	91.4	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.127	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-66.8	140.4	174.7	177.3	0	0	0	0	110	L46 P55 C67 H461 V475 Y491	L46-V50 HydrophobicContact CD1-CG2 3.73Å; V50-P55 HydrophobicContact CG1-CB 3.32Å; V50-P55 HydrophobicContact CG1-CG 3.48Å; V50-P55 VanDerWaalsContact CG1-CG 3.48Å; V50-C67 WeakPolarHBondContact CA-O 3.39Å; V50-H461 HydrophobicContact CG1-CB 4.15Å; V50-V475 HydrophobicContact CG2-CG1 3.43Å; V50-V475 VanDerWaalsContact CG2-CG1 3.43Å; V50-Y491 HydrophobicContact CB-CD1 3.86Å; V50-Y491 HydrophobicContact CB-CE1 3.87Å; V50-Y491 HydrophobicContact CG2-CD1 3.32Å; V50-Y491 HydrophobicContact CG2-CE1 3.88Å; V50-Y491 HydrophobicContact CG2-CG 3.92Å
51	S	91.6	Very high	91.3	Very high	15 Å²	15	39.4 Å²	39.4	11%	0.105	23%	0.228	C	C	.	.			trans	-131.5	151.7	-179.8	62.1	0	0	0	0	111.9	C67 T68 S69 M147	S51-C67 PolarHBondContact N-O 3.34Å; S51-C67 VanDerWaalsContact N-O 3.09Å; S51-C67 WeakPolarHBondContact O-CB 3.41Å; S51-T68 WeakPolarHBondContact OG-CA 3.33Å; S51-T68 PolarHBondContact OG-O 2.88Å; S51-S69 PolarHBondContact OG-N 3.2Å; S51-M147 CarbonylContact C-O 3.58Å; S51-M147 WeakPolarHBondContact CB-O 3.36Å; S51-M147 PolarHBondContact OG-N 3.13Å; S51-M147 PolarHBondContact OG-O 2.82Å
52	G	86.9	Confident	91.4	Very high	34 Å²	34	35.8 Å²	35.8	35%	0.351	21%	0.208	S	C	.	.	S	Bend	trans	83.4	163.8	-177.5	0	0	0	0	0	113.9	K148	G52-K148 WeakPolarHBondContact CA-O 3.49Å
53	L	81.3	Confident	91.6	Very high	129 Å²	129	34.1 Å²	34.1	68%	0.675	20%	0.197	S	C	*	.	S	Bend	trans	-79.5	-31.9	-176	-64.7	174	0	0	0	113.2	P55	L53-P55 VanDerWaalsContact C-CD 3.47Å; L53-P55 WeakPolarHBondContact O-CD 3.48Å
54	Q	87.8	Confident	91.8	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.056	19%	0.188	C	C	.	.	S	Bend	trans	-123.9	73.9	178.6	-69.7	177.3	15.9	0	0	109.3	L56 F149 D298 N356	Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 2.87Å; Q54-F149 HydrophobicContact CB-CD2 3.91Å; Q54-F149 HydrophobicContact CB-CE2 3.79Å; Q54-D298 PolarHBondContact NE2-OD2 3.32Å; Q54-N356 VanDerWaalsContact CD-OD1 3.26Å; Q54-N356 WeakPolarHBondContact CG-OD1 3.35Å; Q54-N356 PolarHBondContact NE2-OD1 3.37Å; Q54-N356 VanDerWaalsContact NE2-OD1 3.1Å
55	P	91.6	Very high	92	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.013	19%	0.187	C	C	.	.			trans	-78.8	-12.3	-166.9	30.9	-36.9	0	0	0	114	V50 L53 V66 C67 H461	V50-P55 HydrophobicContact CG1-CB 3.32Å; V50-P55 HydrophobicContact CG1-CG 3.48Å; V50-P55 VanDerWaalsContact CG1-CG 3.48Å; L53-P55 VanDerWaalsContact C-CD 3.47Å; L53-P55 WeakPolarHBondContact O-CD 3.48Å; P55-V66 CarbonylContact O-C 3.49Å; P55-V66 VanDerWaalsContact O-CA 3.27Å; P55-V66 WeakPolarHBondContact O-CA 3.32Å; P55-C67 HydrophobicContact CB-CB 4Å; P55-C67 PolarHBondContact O-N 2.78Å; P55-H461 WeakPolarHBondContact CD-O 3.22Å; P55-H461 HydrophobicContact CG-CB 4.39Å; P55-H461 WeakPolarHBondContact CG-O 2.93Å
56	L	95.1	Very high	92.1	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.6	-169.5	-167.5	66.6	0	0	0	111.5	Q54 L64 V66 A464 A473 V475	Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 2.87Å; L56-L64 HydrophobicContact CD1-CD1 3.53Å; L56-L64 HydrophobicContact CD1-CD2 3.93Å; L56-L64 HydrophobicContact CD1-CG 3.71Å; L56-L64 HydrophobicContact CD2-CD1 4.39Å; L56-L64 HydrophobicContact CG-CD1 3.86Å; L56-V66 HydrophobicContact CD1-CB 4.38Å; L56-V66 HydrophobicContact CD1-CG1 4.45Å; L56-V66 HydrophobicContact CD1-CG2 3.47Å; L56-V66 VanDerWaalsContact CD1-CG2 3.47Å; L56-A464 HydrophobicContact CD2-CB 3.78Å; L56-A464 HydrophobicContact CG-CB 3.75Å; L56-A473 HydrophobicContact CD2-CB 4.07Å; L56-A473 VanDerWaalsContact CD2-O 3.23Å; L56-A473 WeakPolarHBondContact CD2-O 3.45Å; L56-V475 HydrophobicContact CB-CG2 4.08Å; L56-V475 HydrophobicContact CD1-CG2 3.65Å; L56-V475 HydrophobicContact CD2-CG2 3.86Å; L56-V475 HydrophobicContact CG-CG2 4.06Å
57	R	94.9	Very high	92.2	Very high	44 Å²	44	28.1 Å²	28.1	17%	0.166	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	132.3	174.6	-71.4	-62.1	-167.7	137.6	12.4	112.2	A65 F149 A150 W152 E235 R358	R57-A65 PolarHBondContact N-O 3.48Å; R57-A65 PolarHBondContact O-N 3.43Å; R57-F149 VanDerWaalsContact NH2-CZ 3.33Å; R57-A150 WeakPolarHBondContact CG-O 3.48Å; R57-W152 PolarHBondContact O-NE1 3.28Å; R57-E235 IonicContact CZ-OE1 2.68Å; R57-E235 IonicContact NH1-OE1 3.59Å; R57-E235 IonicContact NH2-OE1 3.93Å; R57-E235 PolarHBondContact NH2-OE1 2.92Å; R57-R358 VanDerWaalsContact CZ-CZ 3.44Å; R57-R358 VanDerWaalsContact NH1-CZ 3.33Å; R57-R358 VanDerWaalsContact NH2-CZ 3.33Å
58	W	95.5	Very high	92.5	Very high	30 Å²	30	20.2 Å²	20.2	11%	0.114	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.8	175.5	-143.3	-39.7	0	0	0	110.2	L64 L77 A464 V465 A473 F495	W58-L64 HydrophobicContact CB-CD1 4.01Å; W58-L64 HydrophobicContact CD2-CB 4.49Å; W58-L64 HydrophobicContact CD2-CD1 3.93Å; W58-L64 HydrophobicContact CE3-CD1 4Å; W58-L64 HydrophobicContact CG-CD1 3.97Å; W58-L77 HydrophobicContact CZ2-CD2 4.35Å; W58-A464 HydrophobicContact CB-CB 4.11Å; W58-V465 WeakPolarHBondContact CB-O 3.37Å; W58-A473 HydrophobicContact CE3-CB 3.91Å; W58-A473 HydrophobicContact CH2-CB 4.36Å; W58-A473 HydrophobicContact CZ3-CB 3.55Å; W58-F495 AromaticContact CH2-CD1 3.81Å; W58-F495 HydrophobicContact CH2-CD1 3.81Å; W58-F495 AromaticContact CH2-CE1 3.73Å; W58-F495 HydrophobicContact CH2-CE1 3.73Å; W58-F495 HydrophobicContact CZ2-CE1 4.27Å; W58-F495 HydrophobicContact CZ3-CD1 4.31Å; W58-F495 HydrophobicContact CZ3-CE1 4.27Å
59	S	94.8	Very high	92.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	12%	0.123	C	C	.	.			trans	-80.2	160.3	177.6	73.6	0	0	0	0	112.5	D61 H62 R63 W152	S59-D61 VanDerWaalsContact CB-OD1 3.23Å; S59-D61 WeakPolarHBondContact CB-OD1 3.3Å; S59-D61 PolarHBondContact O-N 3.43Å; S59-D61 PolarHBondContact OG-N 3.07Å; S59-D61 PolarHBondContact OG-OD1 3.07Å; S59-H62 PolarHBondContact O-N 3.22Å; S59-H62 PolarHBondContact OG-N 2.93Å; S59-R63 WeakPolarHBondContact CB-O 3.45Å; S59-R63 PolarHBondContact N-O 3.11Å; S59-R63 WeakPolarHBondContact OG-CA 3.42Å; S59-R63 WeakPolarHBondContact OG-CB 3.49Å; S59-R63 PolarHBondContact OG-N 3.34Å; S59-R63 PolarHBondContact OG-O 3.41Å; S59-W152 VanDerWaalsContact CB-CD2 3.43Å; S59-W152 VanDerWaalsContact CB-CG 3.41Å
60	P	91.2	Very high	92.5	Very high	35 Å²	35	20.2 Å²	20.2	23%	0.227	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.9	166.2	-24.5	34.9	0	0	0	114.9	L155	P60-L155 HydrophobicContact CB-CB 4.34Å
61	D	89.9	Confident	92.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	28.6	178.8	71.5	-0.9	0	0	0	113.6	S59 R63 L155 R162 C163 F517	S59-D61 VanDerWaalsContact CB-OD1 3.23Å; S59-D61 WeakPolarHBondContact CB-OD1 3.3Å; S59-D61 PolarHBondContact O-N 3.43Å; S59-D61 PolarHBondContact OG-N 3.07Å; S59-D61 PolarHBondContact OG-OD1 3.07Å; D61-R63 VanDerWaalsContact C-N 3.34Å; D61-R63 VanDerWaalsContact CG-NE 3.3Å; D61-R63 PolarHBondContact O-N 3.25Å; D61-R63 IonicContact OD1-CZ 2.65Å; D61-R63 IonicContact OD1-NE 3.82Å; D61-R63 PolarHBondContact OD1-NE 3.11Å; D61-R63 IonicContact OD1-NH2 3.55Å; D61-R63 PolarHBondContact OD1-NH2 2.88Å; D61-R63 IonicContact OD2-CZ 3.31Å; D61-R63 VanDerWaalsContact OD2-CZ 3.23Å; D61-R63 IonicContact OD2-NE 2.81Å; D61-R63 PolarHBondContact OD2-NE 3.45Å; D61-R63 IonicContact OD2-NH2 3.14Å; D61-R63 PolarHBondContact OD2-NH2 3.42Å; D61-L155 HydrophobicContact CB-CD1 3.58Å; D61-R162 WeakPolarHBondContact OD2-CB 3.41Å; D61-C163 VanDerWaalsContact CG-SG 3.6Å; D61-C163 WeakPolarHBondContact OD2-CB 3.39Å; D61-C163 PolarHBondContact OD2-N 2.91Å; D61-F517 HydrophobicContact CB-CE1 4.18Å; D61-F517 HydrophobicContact CB-CZ 4.03Å
62	H	92.6	Very high	92.8	Very high	2 Å²	2	19 Å²	19	1%	0.009	11%	0.113	C	C	.	.	S	Bend	trans	65.5	27.6	170.7	-52.1	-68.5	0	0	0	115.6	S59 L77 F517 K518 D521	S59-H62 PolarHBondContact O-N 3.22Å; S59-H62 PolarHBondContact OG-N 2.93Å; H62-L77 HydrophobicContact CB-CB 4.24Å; H62-L77 WeakPolarHBondContact O-CB 3.07Å; H62-L77 PolarHBondContact O-N 3.04Å; H62-F517 PolarHBondContact CD2-O 2.88Å; H62-F517 PolarHBondContact NE2-O 3.11Å; H62-F517 VanDerWaalsContact NE2-O 3.1Å; H62-K518 PolarHBondContact CE1-O 3.46Å; H62-K518 PolarHBondContact NE2-O 3.49Å; H62-D521 IonicContact CE1-OD1 3.13Å; H62-D521 PolarHBondContact CE1-OD1 2.88Å
63	R	93.6	Very high	93.2	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.011	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.1	175.3	-63.4	-178.3	-68.6	167.2	2.6	111.4	S59 D61 V74 L75 E76 W152 C163	S59-R63 WeakPolarHBondContact CB-O 3.45Å; S59-R63 PolarHBondContact N-O 3.11Å; S59-R63 WeakPolarHBondContact OG-CA 3.42Å; S59-R63 WeakPolarHBondContact OG-CB 3.49Å; S59-R63 PolarHBondContact OG-N 3.34Å; S59-R63 PolarHBondContact OG-O 3.41Å; D61-R63 VanDerWaalsContact C-N 3.34Å; D61-R63 VanDerWaalsContact CG-NE 3.3Å; D61-R63 PolarHBondContact O-N 3.25Å; D61-R63 IonicContact OD1-CZ 2.65Å; D61-R63 IonicContact OD1-NE 3.82Å; D61-R63 PolarHBondContact OD1-NE 3.11Å; D61-R63 IonicContact OD1-NH2 3.55Å; D61-R63 PolarHBondContact OD1-NH2 2.88Å; D61-R63 IonicContact OD2-CZ 3.31Å; D61-R63 VanDerWaalsContact OD2-CZ 3.23Å; D61-R63 IonicContact OD2-NE 2.81Å; D61-R63 PolarHBondContact OD2-NE 3.45Å; D61-R63 IonicContact OD2-NH2 3.14Å; D61-R63 PolarHBondContact OD2-NH2 3.42Å; R63-V74 HydrophobicContact CB-CG1 4.13Å; R63-L75 CarbonylContact C-O 3.5Å; R63-L75 WeakPolarHBondContact CA-O 3.16Å; R63-E76 HydrophobicContact CG-CB 3.87Å; R63-E76 HydrophobicContact CG-CG 3.8Å; R63-W152 HydrophobicContact CB-CH2 3.81Å; R63-W152 HydrophobicContact CB-CZ2 3.83Å; R63-W152 PolarHBondContact O-NE1 2.83Å; R63-C163 PolarHBondContact NH2-O 3.3Å
64	L	96.3	Very high	93.9	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.6	178.9	-174.9	69.2	0	0	0	109.6	L56 W58 V66 V74 L75 A464 A473 I493 F495	L56-L64 HydrophobicContact CD1-CD1 3.53Å; L56-L64 HydrophobicContact CD1-CD2 3.93Å; L56-L64 HydrophobicContact CD1-CG 3.71Å; L56-L64 HydrophobicContact CD2-CD1 4.39Å; L56-L64 HydrophobicContact CG-CD1 3.86Å; W58-L64 HydrophobicContact CB-CD1 4.01Å; W58-L64 HydrophobicContact CD2-CB 4.49Å; W58-L64 HydrophobicContact CD2-CD1 3.93Å; W58-L64 HydrophobicContact CE3-CD1 4Å; W58-L64 HydrophobicContact CG-CD1 3.97Å; L64-V66 HydrophobicContact CG-CG2 4.32Å; L64-V74 CarbonylContact O-C 3.49Å; L64-V74 VanDerWaalsContact O-CA 3.3Å; L64-V74 WeakPolarHBondContact O-CA 3.38Å; L64-L75 HydrophobicContact CB-CB 4.31Å; L64-L75 HydrophobicContact CD2-CD1 4.34Å; L64-L75 PolarHBondContact N-O 3.08Å; L64-L75 PolarHBondContact O-N 2.75Å; L64-A464 HydrophobicContact CD1-CB 4.03Å; L64-A473 HydrophobicContact CD1-CB 4.05Å; L64-A473 HydrophobicContact CD2-CB 3.57Å; L64-A473 HydrophobicContact CG-CB 4.49Å; L64-I493 HydrophobicContact CD2-CG2 4.02Å; L64-F495 HydrophobicContact CD2-CE1 3.95Å; L64-F495 HydrophobicContact CD2-CZ 3.95Å
65	A	96.9	Very high	94.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134	173.8	0	0	0	0	0	110.5	R57 L72 S73 A150 W152 L165	R57-A65 PolarHBondContact N-O 3.48Å; R57-A65 PolarHBondContact O-N 3.43Å; A65-L72 HydrophobicContact CB-CD1 4.27Å; A65-L72 HydrophobicContact CB-CG 4.46Å; A65-S73 CarbonylContact C-O 3.39Å; A65-A150 HydrophobicContact CB-CB 4.32Å; A65-W152 HydrophobicContact CB-CZ2 3.71Å; A65-L165 HydrophobicContact CB-CD1 4.4Å
66	V	96.9	Very high	94.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115.4	179.9	-167.7	0	0	0	0	110.9	L46 P55 L56 L64 T68 S73 V475 I493	L46-V66 HydrophobicContact CD1-CG1 3.85Å; L46-V66 HydrophobicContact CD2-CB 4.47Å; L46-V66 HydrophobicContact CD2-CG1 4.25Å; P55-V66 CarbonylContact O-C 3.49Å; P55-V66 VanDerWaalsContact O-CA 3.27Å; P55-V66 WeakPolarHBondContact O-CA 3.32Å; L56-V66 HydrophobicContact CD1-CB 4.38Å; L56-V66 HydrophobicContact CD1-CG1 4.45Å; L56-V66 HydrophobicContact CD1-CG2 3.47Å; L56-V66 VanDerWaalsContact CD1-CG2 3.47Å; L64-V66 HydrophobicContact CG-CG2 4.32Å; V66-T68 PolarHBondContact O-N 3.3Å; V66-S73 PolarHBondContact N-O 3.23Å; V66-S73 PolarHBondContact O-N 2.7Å; V66-V475 HydrophobicContact CG1-CG2 4.14Å; V66-I493 HydrophobicContact CB-CD1 4.44Å; V66-I493 HydrophobicContact CG2-CD1 3.56Å; V66-I493 HydrophobicContact CG2-CG1 4.41Å
67	C	96.1	Very high	94	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	123	177.7	-64.3	0	0	0	0	111.1	V50 S51 P55 L72 M147	V50-C67 WeakPolarHBondContact CA-O 3.39Å; S51-C67 PolarHBondContact N-O 3.34Å; S51-C67 VanDerWaalsContact N-O 3.09Å; S51-C67 WeakPolarHBondContact O-CB 3.41Å; P55-C67 HydrophobicContact CB-CB 4Å; P55-C67 PolarHBondContact O-N 2.78Å; C67-L72 HydrophobicContact CB-CD1 4.41Å; C67-M147 HydrophobicContact CB-CB 3.64Å
68	T	94.7	Very high	93.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-128	166.5	173.2	78.7	0	0	0	0	111.3	L46 P49 S51 V66 S70 S71 M147	L46-T68 HydrophobicContact CD1-CG2 4.43Å; L46-T68 HydrophobicContact CD2-CG2 4.33Å; P49-T68 CarbonylContact O-C 3.5Å; P49-T68 WeakPolarHBondContact O-CA 3.48Å; P49-T68 VanDerWaalsContact O-CB 3.27Å; P49-T68 WeakPolarHBondContact O-CB 3.38Å; S51-T68 WeakPolarHBondContact OG-CA 3.33Å; S51-T68 PolarHBondContact OG-O 2.88Å; V66-T68 PolarHBondContact O-N 3.3Å; T68-S70 PolarHBondContact O-N 2.9Å; T68-S71 WeakPolarHBondContact CA-O 3.41Å; T68-S71 WeakPolarHBondContact CB-O 3.48Å; T68-S71 PolarHBondContact N-O 3.2Å; T68-S71 PolarHBondContact OG1-N 3.22Å; T68-S71 VanDerWaalsContact OG1-N 3.14Å; T68-S71 PolarHBondContact OG1-O 3.47Å; T68-M147 PolarHBondContact O-N 2.75Å
69	S	91.9	Very high	93.1	Very high	38 Å²	38	10.3 Å²	10.3	27%	0.266	7%	0.066	S	C	.	.	S	Bend	trans	-65.3	-19.6	-179.1	61.2	0	0	0	0	114.6	P49 S51 S145 G146	P49-S69 WeakPolarHBondContact CD-OG 3.29Å; P49-S69 PolarHBondContact O-N 3.07Å; S51-S69 PolarHBondContact OG-N 3.2Å; S69-S145 CarbonylContact O-C 3.55Å; S69-S145 PolarHBondContact O-OG 2.86Å; S69-G146 VanDerWaalsContact O-CA 3.31Å; S69-G146 WeakPolarHBondContact O-CA 3.46Å
70	S	91.8	Very high	92.4	Very high	49 Å²	49	12.6 Å²	12.6	34%	0.343	8%	0.078	S	C	.	.	S	Bend	trans	-112.6	-25.5	-178.7	67.6	0	0	0	0	113.8	S48 T68 V97	S48-S70 WeakPolarHBondContact CB-OG 3.48Å; S48-S70 WeakPolarHBondContact OG-CB 3.47Å; S48-S70 PolarHBondContact OG-OG 2.8Å; T68-S70 PolarHBondContact O-N 2.9Å; S70-V97 VanDerWaalsContact C-CG2 3.47Å; S70-V97 WeakPolarHBondContact O-CB 3.39Å; S70-V97 WeakPolarHBondContact O-CG2 3.43Å; S70-V97 PolarHBondContact O-N 3.25Å
71	S	93.4	Very high	91.8	Very high	12 Å²	12	11.2 Å²	11.2	8%	0.084	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	163.4	-175.1	59.8	0	0	0	0	112.6	T68 I95	T68-S71 WeakPolarHBondContact CA-O 3.41Å; T68-S71 WeakPolarHBondContact CB-O 3.48Å; T68-S71 PolarHBondContact N-O 3.2Å; T68-S71 PolarHBondContact OG1-N 3.22Å; T68-S71 VanDerWaalsContact OG1-N 3.14Å; T68-S71 PolarHBondContact OG1-O 3.47Å; S71-I95 CarbonylContact C-O 3.55Å; S71-I95 WeakPolarHBondContact CA-O 3.42Å; S71-I95 VanDerWaalsContact CB-O 3.26Å; S71-I95 WeakPolarHBondContact CB-O 3.25Å
72	L	95.4	Very high	91.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	107.7	161	-171.4	66.9	0	0	0	107.9	A65 C67 S94 I95 M147 A150 L165 C167	A65-L72 HydrophobicContact CB-CD1 4.27Å; A65-L72 HydrophobicContact CB-CG 4.46Å; C67-L72 HydrophobicContact CB-CD1 4.41Å; L72-S94 CarbonylContact O-C 3.54Å; L72-S94 VanDerWaalsContact O-CA 3.22Å; L72-S94 WeakPolarHBondContact O-CA 3.05Å; L72-I95 HydrophobicContact CB-CB 4.23Å; L72-I95 HydrophobicContact CD2-CD1 4.45Å; L72-I95 PolarHBondContact N-O 3.45Å; L72-I95 PolarHBondContact O-N 2.8Å; L72-M147 HydrophobicContact CB-CE 3.96Å; L72-M147 HydrophobicContact CB-CG 3.95Å; L72-M147 HydrophobicContact CB-SD 4.27Å; L72-M147 HydrophobicContact CD1-CG 4.45Å; L72-A150 HydrophobicContact CD1-CB 3.85Å; L72-A150 HydrophobicContact CD2-CB 3.98Å; L72-L165 HydrophobicContact CD2-CD1 4.24Å; L72-L165 HydrophobicContact CD2-CD2 3.6Å; L72-L165 HydrophobicContact CD2-CG 4.04Å; L72-C167 HydrophobicContact CD2-CB 4.42Å; L72-C167 WeakPolarHBondContact CD2-SG 3.46Å
73	S	95.3	Very high	90.9	Very high	16 Å²	16	17 Å²	17	11%	0.112	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.8	176	-66.6	0	0	0	0	109.7	A65 V66	A65-S73 CarbonylContact C-O 3.39Å; V66-S73 PolarHBondContact N-O 3.23Å; V66-S73 PolarHBondContact O-N 2.7Å
74	V	95.7	Very high	90.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.8	178.1	-175.8	0	0	0	0	110	R63 L64 R92 T93 W152 L165 W185	R63-V74 HydrophobicContact CB-CG1 4.13Å; L64-V74 CarbonylContact O-C 3.49Å; L64-V74 VanDerWaalsContact O-CA 3.3Å; L64-V74 WeakPolarHBondContact O-CA 3.38Å; V74-R92 WeakPolarHBondContact O-CA 3.44Å; V74-T93 PolarHBondContact N-O 3.32Å; V74-T93 PolarHBondContact O-N 2.9Å; V74-W152 HydrophobicContact CG1-CH2 3.98Å; V74-W152 HydrophobicContact CG1-CZ2 4.1Å; V74-L165 HydrophobicContact CG2-CD2 3.96Å; V74-W185 HydrophobicContact CB-CZ2 4.01Å; V74-W185 HydrophobicContact CG1-CZ2 3.86Å; V74-W185 HydrophobicContact CG2-CZ2 3.85Å
75	L	94.3	Very high	89.9	Confident	7 Å²	7	28.7 Å²	28.7	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.6	176.4	-53.6	177.4	0	0	0	109.3	V44 R63 L64 N91 R92 I493 F495	V44-L75 HydrophobicContact CB-CD1 4.27Å; V44-L75 HydrophobicContact CG1-CD1 3.96Å; V44-L75 HydrophobicContact CG1-CD2 4.13Å; V44-L75 HydrophobicContact CG2-CD1 4.22Å; R63-L75 CarbonylContact C-O 3.5Å; R63-L75 WeakPolarHBondContact CA-O 3.16Å; L64-L75 HydrophobicContact CB-CB 4.31Å; L64-L75 HydrophobicContact CD2-CD1 4.34Å; L64-L75 PolarHBondContact N-O 3.08Å; L64-L75 PolarHBondContact O-N 2.75Å; L75-N91 CarbonylContact C-O 3.59Å; L75-N91 WeakPolarHBondContact CA-O 3.42Å; L75-R92 HydrophobicContact CD2-CB 4.03Å; L75-R92 HydrophobicContact CD2-CG 3.5Å; L75-I493 HydrophobicContact CD1-CD1 3.5Å; L75-F495 HydrophobicContact CD1-CZ 4.25Å
76	E	91.7	Very high	89.4	Confident	11 Å²	11	32.8 Å²	32.8	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119	174.2	-177.7	173.8	-142.8	0	0	109.4	R63 L78 L90 N91 R162 H182	R63-E76 HydrophobicContact CG-CB 3.87Å; R63-E76 HydrophobicContact CG-CG 3.8Å; E76-L78 HydrophobicContact CG-CD2 3.77Å; E76-L78 HydrophobicContact CG-CG 4.48Å; E76-L78 PolarHBondContact O-N 3.39Å; E76-L90 WeakPolarHBondContact O-CA 3.31Å; E76-N91 HydrophobicContact CB-CB 4.19Å; E76-N91 PolarHBondContact N-O 2.93Å; E76-N91 PolarHBondContact O-N 2.86Å; E76-R162 IonicContact OE1-NH1 3.98Å; E76-H182 IonicContact OE1-ND1 3.58Å; E76-H182 IonicContact OE2-ND1 3.41Å
77	L	90.7	Very high	89	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.4	173.4	175.8	66.6	0	0	0	109.3	W58 H62 L88 L90 Y471 D521	W58-L77 HydrophobicContact CZ2-CD2 4.35Å; H62-L77 HydrophobicContact CB-CB 4.24Å; H62-L77 WeakPolarHBondContact O-CB 3.07Å; H62-L77 PolarHBondContact O-N 3.04Å; L77-L88 HydrophobicContact CD1-CB 4.41Å; L77-L88 HydrophobicContact CD1-CD2 4.05Å; L77-L90 HydrophobicContact CB-CD2 4.24Å; L77-L90 HydrophobicContact CD1-CD2 3.86Å; L77-Y471 HydrophobicContact CD2-CD2 4.35Å; L77-Y471 HydrophobicContact CD2-CE2 4.32Å; L77-D521 HydrophobicContact CD2-CB 3.99Å
78	L	86.3	Confident	88.8	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.12	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.6	176.7	-59.4	-174.9	0	0	0	110.4	E76 D80 S89 N91 L736	E76-L78 HydrophobicContact CG-CD2 3.77Å; E76-L78 HydrophobicContact CG-CG 4.48Å; E76-L78 PolarHBondContact O-N 3.39Å; L78-D80 PolarHBondContact O-N 3.27Å; L78-S89 PolarHBondContact N-O 3.46Å; L78-S89 WeakPolarHBondContact O-CB 3.33Å; L78-N91 HydrophobicContact CD1-CB 4.24Å; L78-N91 VanDerWaalsContact CD1-CG 3.47Å; L78-N91 VanDerWaalsContact CD1-ND2 3.27Å; L78-N91 WeakPolarHBondContact CD1-ND2 3.5Å; L78-L736 HydrophobicContact CD2-CD1 3.63Å; L78-L736 HydrophobicContact CD2-CD2 3.83Å; L78-L736 HydrophobicContact CD2-CG 3.8Å
79	C	84.7	Confident	88.6	Confident	7 Å²	7	37.3 Å²	37.3	5%	0.047	20%	0.199	C	C	.	.			trans	-90.5	81.7	165.5	-162.6	0	0	0	0	108.7	M81 E524 R527 F562 L737	C79-M81 PolarHBondContact O-N 3.5Å; C79-E524 WeakPolarHBondContact CA-OE2 3.48Å; C79-E524 PolarHBondContact SG-OE2 2.95Å; C79-R527 VanDerWaalsContact SG-CD 3.59Å; C79-F562 VanDerWaalsContact SG-CE2 3.55Å; C79-F562 VanDerWaalsContact SG-CZ 3.58Å; C79-L737 VanDerWaalsContact O-CD2 3.29Å; C79-L737 WeakPolarHBondContact O-CD2 3.39Å
80	D	81.4	Confident	88.5	Confident	50 Å²	50	36.8 Å²	36.8	27%	0.267	19%	0.193	S	C	.	.			trans	-71.5	111.6	-172.1	-177.2	-7.8	0	0	0	111.8	L78 H82 S83 R527	L78-D80 PolarHBondContact O-N 3.27Å; D80-H82 VanDerWaalsContact C-N 3.28Å; D80-H82 PolarHBondContact O-N 3.11Å; D80-H82 WeakPolarHBondContact OD1-CA 3.34Å; D80-H82 WeakPolarHBondContact OD1-CB 3.43Å; D80-H82 PolarHBondContact OD1-N 2.95Å; D80-S83 PolarHBondContact OD1-N 2.94Å; D80-S83 VanDerWaalsContact OD1-N 3.16Å; D80-S83 WeakPolarHBondContact OD2-CB 3.42Å; D80-R527 PolarHBondContact O-NE 2.96Å; D80-R527 PolarHBondContact O-NH1 3.38Å; D80-R527 PolarHBondContact O-NH2 3.41Å
81	M	77.8	Confident	88.4	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.03	19%	0.193	C	C	.	.	S	Bend	trans	-86.3	7.2	-178.8	-61.9	-57.5	-69.1	0	0	114.4	C79 F562 R565 V566 L569 L737	C79-M81 PolarHBondContact O-N 3.5Å; M81-F562 HydrophobicContact CE-CD2 3.48Å; M81-F562 VanDerWaalsContact CE-CD2 3.48Å; M81-F562 HydrophobicContact CE-CE2 3.8Å; M81-F562 HydrophobicContact CE-CG 4.02Å; M81-F562 VanDerWaalsContact CE-O 3.26Å; M81-F562 WeakPolarHBondContact CE-O 3.47Å; M81-F562 HydrophobicContact CG-CD2 4.36Å; M81-F562 HydrophobicContact CG-CE2 4.32Å; M81-F562 HydrophobicContact SD-CD2 3.4Å; M81-F562 WeakPolarHBondContact SD-CD2 3.43Å; M81-F562 HydrophobicContact SD-CE2 3.12Å; M81-F562 WeakPolarHBondContact SD-CE2 3.16Å; M81-F562 HydrophobicContact SD-CG 4.42Å; M81-F562 HydrophobicContact SD-CZ 3.95Å; M81-R565 HydrophobicContact CE-CB 3.52Å; M81-V566 HydrophobicContact CE-CB 4.41Å; M81-V566 HydrophobicContact CE-CG2 3.33Å; M81-V566 HydrophobicContact SD-CG2 3.73Å; M81-L569 VanDerWaalsContact C-CD1 3.41Å; M81-L569 WeakPolarHBondContact O-CD1 3.47Å; M81-L737 HydrophobicContact CG-CD1 4.16Å
82	H	80.5	Confident	88.3	Confident	104 Å²	104	43.1 Å²	43.1	48%	0.481	21%	0.212	S	C	.	.	S	Bend	trans	-118.5	-19.9	180	-58	-44.6	0	0	0	112.5	D80 L737 D739	D80-H82 VanDerWaalsContact C-N 3.28Å; D80-H82 PolarHBondContact O-N 3.11Å; D80-H82 WeakPolarHBondContact OD1-CA 3.34Å; D80-H82 WeakPolarHBondContact OD1-CB 3.43Å; D80-H82 PolarHBondContact OD1-N 2.95Å; H82-L737 PolarHBondContact NE2-O 3.4Å; H82-D739 IonicContact CE1-OD1 3.36Å; H82-D739 PolarHBondContact CE1-OD1 3.04Å; H82-D739 IonicContact NE2-OD1 3.54Å
83	S	82.6	Confident	88.2	Confident	21 Å²	21	44.2 Å²	44.2	15%	0.147	22%	0.219	C	C	.	.			trans	-86.4	139	175.5	177.4	0	0	0	0	111.7	D80 R85 R527	D80-S83 PolarHBondContact OD1-N 2.94Å; D80-S83 VanDerWaalsContact OD1-N 3.16Å; D80-S83 WeakPolarHBondContact OD2-CB 3.42Å; S83-R85 VanDerWaalsContact OG-CB 3.3Å; S83-R85 WeakPolarHBondContact OG-CB 3.34Å; S83-R85 WeakPolarHBondContact OG-CG 3.34Å; S83-R85 PolarHBondContact OG-N 3.18Å; S83-R85 VanDerWaalsContact OG-N 3.09Å; S83-R527 VanDerWaalsContact O-CZ 3.3Å; S83-R527 PolarHBondContact O-NH1 3.35Å; S83-R527 PolarHBondContact O-NH2 2.97Å
84	S	82.8	Confident	88.2	Confident	82 Å²	82	46.6 Å²	46.6	57%	0.573	24%	0.236	S	C	*	.			trans	-91.7	1.9	168.3	57.4	0	0	0	0	112.8
85	R	86.3	Confident	88.1	Confident	168 Å²	168	47 Å²	47	63%	0.634	24%	0.238	S	C	*	.			trans	-66.3	137.1	177.7	-62.3	-178	-179.9	-178.2	0	110.3	S83 D87 R527 L531	S83-R85 VanDerWaalsContact OG-CB 3.3Å; S83-R85 WeakPolarHBondContact OG-CB 3.34Å; S83-R85 WeakPolarHBondContact OG-CG 3.34Å; S83-R85 PolarHBondContact OG-N 3.18Å; S83-R85 VanDerWaalsContact OG-N 3.09Å; R85-D87 VanDerWaalsContact C-N 3.33Å; R85-R527 PolarHBondContact O-NH2 2.94Å; R85-R527 VanDerWaalsContact O-NH2 3.14Å; R85-L531 WeakPolarHBondContact O-CD1 3.46Å
86	Q	86.6	Confident	88	Confident	85 Å²	85	51.1 Å²	51.1	40%	0.397	27%	0.265	S	S	.	.			trans	-85.5	-8.1	177.5	-64.8	-177.8	12.9	0	0	113.1	R40 L531	R40-Q86 PolarHBondContact NH1-O 3.15Å; R40-Q86 PolarHBondContact NH2-O 3.33Å; Q86-L531 HydrophobicContact CG-CB 4.1Å; Q86-L531 HydrophobicContact CG-CD1 4.5Å
87	D	90	Very high	88	Confident	71 Å²	71	51.3 Å²	51.3	38%	0.38	27%	0.267	S	S	.	.	S	Bend	trans	-77.3	156.3	176.6	-56.6	-26.2	0	0	0	110.7	R85 S89	R85-D87 VanDerWaalsContact C-N 3.33Å; D87-S89 PolarHBondContact O-N 3.06Å
88	L	91.3	Very high	87.7	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.031	29%	0.288	C	S	.	.			trans	-60.9	128.1	172.7	-64	172.7	0	0	0	109.8	R40 D41 P42 L77 L90 Y471 F495 E524	R40-L88 HydrophobicContact CB-CD1 3.79Å; R40-L88 HydrophobicContact CB-CG 4.17Å; D41-L88 PolarHBondContact O-N 3.31Å; P42-L88 VanDerWaalsContact CD-O 3.24Å; P42-L88 WeakPolarHBondContact CD-O 3.43Å; L77-L88 HydrophobicContact CD1-CB 4.41Å; L77-L88 HydrophobicContact CD1-CD2 4.05Å; L88-L90 HydrophobicContact CB-CD2 4.42Å; L88-L90 HydrophobicContact CB-CG 4.23Å; L88-L90 PolarHBondContact O-N 3.31Å; L88-Y471 HydrophobicContact CD2-CE1 4.34Å; L88-Y471 HydrophobicContact CD2-CE2 4.31Å; L88-F495 HydrophobicContact CD1-CB 3.64Å; L88-F495 HydrophobicContact CD1-CD1 4.23Å; L88-F495 HydrophobicContact CD1-CD2 3.97Å; L88-F495 HydrophobicContact CD1-CG 3.69Å; L88-E524 HydrophobicContact CD2-CG 3.69Å
89	S	89.9	Confident	87.4	Confident	19 Å²	19	60.6 Å²	60.6	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.8	175.4	-62	0	0	0	0	109.1	L78 D87	L78-S89 PolarHBondContact N-O 3.46Å; L78-S89 WeakPolarHBondContact O-CB 3.33Å; D87-S89 PolarHBondContact O-N 3.06Å
90	L	90.8	Very high	87.1	Confident	27 Å²	27	68 Å²	68	14%	0.141	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.4	-173.9	-60	175.4	0	0	0	110.6	P42 V44 E76 L77 L88 F495	P42-L90 HydrophobicContact CG-CD1 4.31Å; V44-L90 HydrophobicContact CG2-CD1 3.63Å; E76-L90 WeakPolarHBondContact O-CA 3.31Å; L77-L90 HydrophobicContact CB-CD2 4.24Å; L77-L90 HydrophobicContact CD1-CD2 3.86Å; L88-L90 HydrophobicContact CB-CD2 4.42Å; L88-L90 HydrophobicContact CB-CG 4.23Å; L88-L90 PolarHBondContact O-N 3.31Å; L90-F495 HydrophobicContact CD1-CD2 4.37Å; L90-F495 HydrophobicContact CD1-CE2 3.53Å; L90-F495 HydrophobicContact CD1-CZ 3.87Å; L90-F495 HydrophobicContact CD2-CZ 4.42Å
91	N	89.2	Confident	86.8	Confident	65 Å²	65	69 Å²	69	35%	0.348	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.4	169.7	-86.8	1.1	0	0	0	110.1	L75 E76 L78	L75-N91 CarbonylContact C-O 3.59Å; L75-N91 WeakPolarHBondContact CA-O 3.42Å; E76-N91 HydrophobicContact CB-CB 4.19Å; E76-N91 PolarHBondContact N-O 2.93Å; E76-N91 PolarHBondContact O-N 2.86Å; L78-N91 HydrophobicContact CD1-CB 4.24Å; L78-N91 VanDerWaalsContact CD1-CG 3.47Å; L78-N91 VanDerWaalsContact CD1-ND2 3.27Å; L78-N91 WeakPolarHBondContact CD1-ND2 3.5Å
92	R	91.6	Very high	86.9	Confident	129 Å²	129	70.9 Å²	70.9	49%	0.487	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.8	-177.4	-47.5	-162.3	-177	162.8	3.6	110.5	V74 L75	V74-R92 WeakPolarHBondContact O-CA 3.44Å; L75-R92 HydrophobicContact CD2-CB 4.03Å; L75-R92 HydrophobicContact CD2-CG 3.5Å
93	T	93.8	Very high	87	Confident	23 Å²	23	74 Å²	74	14%	0.141	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	170.2	169.4	56.9	0	0	0	0	109.4	V74 H182 W185	V74-T93 PolarHBondContact N-O 3.32Å; V74-T93 PolarHBondContact O-N 2.9Å; T93-H182 WeakPolarHBondContact CG2-O 3.24Å; T93-W185 PolarHBondContact OG1-NE1 2.84Å
94	S	93.6	Very high	87.2	Confident	66 Å²	66	73.8 Å²	73.8	46%	0.462	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.9	175.8	61.1	0	0	0	0	112.2	L72	L72-S94 CarbonylContact O-C 3.54Å; L72-S94 VanDerWaalsContact O-CA 3.22Å; L72-S94 WeakPolarHBondContact O-CA 3.05Å
95	I	94.4	Very high	87.4	Confident	9 Å²	9	73.9 Å²	73.9	5%	0.046	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.5	168.6	-55.9	177.5	0	0	0	106.8	S71 L72 M147 L165 H177 W185	S71-I95 CarbonylContact C-O 3.55Å; S71-I95 WeakPolarHBondContact CA-O 3.42Å; S71-I95 VanDerWaalsContact CB-O 3.26Å; S71-I95 WeakPolarHBondContact CB-O 3.25Å; L72-I95 HydrophobicContact CB-CB 4.23Å; L72-I95 HydrophobicContact CD2-CD1 4.45Å; L72-I95 PolarHBondContact N-O 3.45Å; L72-I95 PolarHBondContact O-N 2.8Å; I95-M147 WeakPolarHBondContact O-CE 3.24Å; I95-L165 HydrophobicContact CD1-CD2 3.86Å; I95-H177 HydrophobicContact CD1-CB 3.89Å; I95-W185 HydrophobicContact CD1-CB 4.1Å; I95-W185 HydrophobicContact CD1-CD2 3.73Å; I95-W185 HydrophobicContact CD1-CE3 3.84Å; I95-W185 HydrophobicContact CD1-CG 3.84Å; I95-W185 HydrophobicContact CG1-CB 3.74Å; I95-W185 HydrophobicContact CG1-CD2 3.86Å; I95-W185 HydrophobicContact CG1-CE3 4.47Å; I95-W185 HydrophobicContact CG1-CG 3.49Å; I95-W185 VanDerWaalsContact CG1-CG 3.49Å
96	P	92.6	Very high	87.4	Confident	94 Å²	94	65.9 Å²	65.9	61%	0.61	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.2	-178.7	28.1	-33.9	0	0	0	111.2
97	V	90.3	Very high	87.4	Confident	16 Å²	16	63 Å²	63	10%	0.097	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67.8	131.4	165.9	176.2	0	0	0	0	107.7	S70 T99 M147	S70-V97 VanDerWaalsContact C-CG2 3.47Å; S70-V97 WeakPolarHBondContact O-CB 3.39Å; S70-V97 WeakPolarHBondContact O-CG2 3.43Å; S70-V97 PolarHBondContact O-N 3.25Å; V97-T99 PolarHBondContact O-N 2.86Å; V97-M147 HydrophobicContact CB-CE 4.4Å; V97-M147 HydrophobicContact CG2-CE 3.6Å; V97-M147 HydrophobicContact CG2-CG 3.95Å; V97-M147 HydrophobicContact CG2-SD 4.05Å
98	P	85.1	Confident	87.2	Confident	72 Å²	72	62.4 Å²	62.4	47%	0.468	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-55.6	137.1	176.4	-25.4	34.7	0	0	0	111.9	Q100	P98-Q100 VanDerWaalsContact C-N 3.31Å; P98-Q100 PolarHBondContact O-N 3.34Å
99	T	79.6	Confident	87.1	Confident	153 Å²	153	66.5 Å²	66.5	94%	0.939	36%	0.364	S	S	*	.	S	Bend	trans	-74	-24.4	179.5	52.4	0	0	0	0	112.9	V97	V97-T99 PolarHBondContact O-N 2.86Å
100	Q	78.7	Confident	87	Confident	163 Å²	163	71.8 Å²	71.8	76%	0.762	39%	0.391	S	S	*	.	S	Bend	trans	-95.9	127.3	177.6	-171.7	174.6	21.5	0	0	109.4	P98 H102	P98-Q100 VanDerWaalsContact C-N 3.31Å; P98-Q100 PolarHBondContact O-N 3.34Å; Q100-H102 PolarHBondContact O-N 3.35Å
101	T	75.6	Confident	86.9	Confident	71 Å²	71	74.6 Å²	74.6	44%	0.436	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-66.3	131.5	175.5	48.6	0	0	0	0	110.8	K103	T101-K103 PolarHBondContact O-N 3.16Å
102	H	79.6	Confident	86.9	Confident	45 Å²	45	73.2 Å²	73.2	21%	0.208	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-70.2	128.3	175.8	-172.7	70.1	0	0	0	110.2	Q100 D171 C173 T192	Q100-H102 PolarHBondContact O-N 3.35Å; H102-D171 WeakPolarHBondContact CB-OD2 3.47Å; H102-D171 PolarHBondContact N-OD2 3.47Å; H102-C173 HydrophobicContact CB-CB 3.98Å; H102-T192 WeakPolarHBondContact NE2-CG2 3.36Å
103	K	82.4	Confident	86.8	Confident	168 Å²	168	70 Å²	70	73%	0.73	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-101.3	118	176.5	-67.9	-174.7	179.5	-177.9	0	109.7	T101	T101-K103 PolarHBondContact O-N 3.16Å
104	L	87	Confident	86.7	Confident	18 Å²	18	74.4 Å²	74.4	9%	0.094	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-66.9	142.5	177.1	-62.4	178	0	0	0	111.2	V106 V136 T192 F226 Q229	L104-V106 HydrophobicContact CB-CG1 4.4Å; L104-V106 PolarHBondContact O-N 2.97Å; L104-V136 HydrophobicContact CD1-CG1 3.75Å; L104-T192 HydrophobicContact CD2-CG2 3.7Å; L104-F226 HydrophobicContact CB-CD1 4.2Å; L104-F226 HydrophobicContact CB-CE1 4.16Å; L104-F226 HydrophobicContact CD1-CD1 3.92Å; L104-Q229 HydrophobicContact CD1-CB 4.2Å; L104-Q229 HydrophobicContact CD2-CB 4.11Å
105	R	86.3	Confident	86.6	Confident	83 Å²	83	71.3 Å²	71.3	31%	0.313	39%	0.39	S	S	.	.			trans	-95.8	91.4	-175.7	-60	-177.7	-174.1	-161.1	9.3	108.7	E193 E197 Y204 Q229	R105-E193 IonicContact CZ-OE1 2.94Å; R105-E193 IonicContact NH2-OE1 3.46Å; R105-E193 PolarHBondContact NH2-OE1 3.29Å; R105-E197 IonicContact CZ-OE1 3.6Å; R105-E197 IonicContact NH1-OE1 3.86Å; R105-E197 PolarHBondContact NH1-OE1 2.86Å; R105-E197 IonicContact NH1-OE2 3.22Å; R105-E197 PolarHBondContact NH1-OE2 3.46Å; R105-E197 VanDerWaalsContact NH1-OE2 3.14Å; R105-E197 IonicContact NH2-OE1 2.67Å; R105-Y204 WeakPolarHBondContact O-CE1 3.44Å; R105-Y204 PolarHBondContact O-OH 3.18Å; R105-Q229 PolarHBondContact O-NE2 3.39Å; R105-Q229 PolarHBondContact O-OE1 3.18Å; R105-Q229 VanDerWaalsContact O-OE1 3.08Å
106	V	86.6	Confident	86.3	Confident	1 Å²	1	73 Å²	73	1%	0.006	40%	0.4	C	S	.	.			trans	-100.7	-3.5	-174.1	-64.2	0	0	0	0	114.6	L104 L112 R225 F226	L104-V106 HydrophobicContact CB-CG1 4.4Å; L104-V106 PolarHBondContact O-N 2.97Å; V106-L112 HydrophobicContact CG2-CD1 3.58Å; V106-L112 HydrophobicContact CG2-CD2 3.73Å; V106-L112 HydrophobicContact CG2-CG 4.2Å; V106-R225 HydrophobicContact CB-CB 4Å; V106-R225 HydrophobicContact CG1-CB 4.13Å; V106-R225 WeakPolarHBondContact O-CD 3.25Å; V106-R225 PolarHBondContact O-NH1 3.31Å; V106-R225 VanDerWaalsContact O-NH1 3.07Å; V106-F226 HydrophobicContact CB-CD2 4.42Å; V106-F226 HydrophobicContact CB-CE2 4.25Å; V106-F226 HydrophobicContact CB-CZ 4.47Å; V106-F226 HydrophobicContact CG1-CB 4.49Å; V106-F226 HydrophobicContact CG1-CD1 3.77Å; V106-F226 HydrophobicContact CG1-CD2 3.78Å; V106-F226 HydrophobicContact CG1-CE1 3.87Å; V106-F226 HydrophobicContact CG1-CE2 3.88Å; V106-F226 HydrophobicContact CG1-CG 3.75Å; V106-F226 HydrophobicContact CG1-CZ 3.93Å; V106-F226 HydrophobicContact CG2-CD2 4.36Å; V106-F226 HydrophobicContact CG2-CE1 4.46Å; V106-F226 HydrophobicContact CG2-CE2 3.7Å; V106-F226 HydrophobicContact CG2-CZ 3.77Å
107	G	86.6	Confident	86.2	Confident	23 Å²	23	75.4 Å²	75.4	24%	0.237	40%	0.401	C	S	.	.	S	Bend	trans	157.6	-165.2	176.1	0	0	0	0	0	112.4	Y204	G107-Y204 PolarHBondContact N-OH 3.39Å
108	P	87.5	Confident	86.4	Confident	59 Å²	59	79.2 Å²	79.2	38%	0.383	42%	0.417	S	S	.	.			trans	-57.6	137.7	174.4	-22.5	34.5	0	0	0	111.3	D110 E111 L112	P108-D110 VanDerWaalsContact C-N 3.26Å; P108-D110 PolarHBondContact O-N 3.33Å; P108-E111 HydrophobicContact CB-CB 4.42Å; P108-E111 HydrophobicContact CB-CG 4.31Å; P108-E111 HydrophobicContact CG-CG 4.47Å; P108-E111 PolarHBondContact O-N 3.11Å; P108-L112 PolarHBondContact O-N 3.2Å; P108-L112 VanDerWaalsContact O-N 3.07Å
109	P	87.4	Confident	86.7	Confident	92 Å²	92	76.1 Å²	76.1	60%	0.597	40%	0.396	S	S	*	.	H	α-helix	trans	-63.9	-30.8	-175	25.3	-33.9	0	0	0	113.1	S113	P109-S113 WeakPolarHBondContact O-CB 3.37Å; P109-S113 PolarHBondContact O-N 3.2Å; P109-S113 PolarHBondContact O-OG 2.65Å
110	D	88.4	Confident	87.1	Confident	131 Å²	131	70.5 Å²	70.5	70%	0.701	36%	0.363	S	S	*	.	H	α-helix	trans	-70.1	-48.2	-179.8	-60.4	-34.9	0	0	0	111.5	P108 L112 S113 Q114	P108-D110 VanDerWaalsContact C-N 3.26Å; P108-D110 PolarHBondContact O-N 3.33Å; D110-L112 VanDerWaalsContact C-N 3.35Å; D110-L112 PolarHBondContact O-N 3.26Å; D110-S113 PolarHBondContact O-N 3.28Å; D110-Q114 PolarHBondContact O-N 3.49Å
111	E	88.6	Confident	87.7	Confident	85 Å²	85	69.5 Å²	69.5	40%	0.397	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-43.6	175.6	-70	179	-165.2	0	0	111.4	P108 S113 Q114 A115 L216	P108-E111 HydrophobicContact CB-CB 4.42Å; P108-E111 HydrophobicContact CB-CG 4.31Å; P108-E111 HydrophobicContact CG-CG 4.47Å; P108-E111 PolarHBondContact O-N 3.11Å; E111-S113 VanDerWaalsContact C-N 3.34Å; E111-S113 PolarHBondContact O-N 3.27Å; E111-Q114 PolarHBondContact O-N 3.46Å; E111-A115 WeakPolarHBondContact O-CB 3.45Å; E111-A115 PolarHBondContact O-N 3.37Å; E111-L216 HydrophobicContact CB-CD1 3.89Å
112	L	89.5	Confident	88.4	Confident	37 Å²	37	67.3 Å²	67.3	19%	0.194	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-44.6	176	178.8	59.6	0	0	0	111.4	V106 P108 D110 Q114 A115 V116 L216 L222 F226	V106-L112 HydrophobicContact CG2-CD1 3.58Å; V106-L112 HydrophobicContact CG2-CD2 3.73Å; V106-L112 HydrophobicContact CG2-CG 4.2Å; P108-L112 PolarHBondContact O-N 3.2Å; P108-L112 VanDerWaalsContact O-N 3.07Å; D110-L112 VanDerWaalsContact C-N 3.35Å; D110-L112 PolarHBondContact O-N 3.26Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 2.98Å; L112-A115 PolarHBondContact O-N 2.88Å; L112-V116 HydrophobicContact CD1-CG2 4.08Å; L112-V116 HydrophobicContact CG-CG2 4.41Å; L112-V116 WeakPolarHBondContact O-CB 3.37Å; L112-V116 VanDerWaalsContact O-CG2 3.23Å; L112-V116 WeakPolarHBondContact O-CG2 3.48Å; L112-V116 PolarHBondContact O-N 3.35Å; L112-L216 HydrophobicContact CB-CD1 4.44Å; L112-L222 HydrophobicContact CD1-CD1 3.86Å; L112-F226 HydrophobicContact CD1-CE2 4.28Å; L112-F226 HydrophobicContact CD1-CZ 4.4Å
113	S	89.3	Confident	89	Confident	60 Å²	60	71.3 Å²	71.3	42%	0.42	38%	0.377	S	S	.	.	H	α-helix	trans	-63.9	-36.3	178.9	-61.2	0	0	0	0	111.9	P109 D110 E111 K117	P109-S113 WeakPolarHBondContact O-CB 3.37Å; P109-S113 PolarHBondContact O-N 3.2Å; P109-S113 PolarHBondContact O-OG 2.65Å; D110-S113 PolarHBondContact O-N 3.28Å; E111-S113 VanDerWaalsContact C-N 3.34Å; E111-S113 PolarHBondContact O-N 3.27Å; S113-K117 VanDerWaalsContact O-CG 3.29Å; S113-K117 WeakPolarHBondContact O-CG 3.23Å; S113-K117 PolarHBondContact O-N 3.37Å
114	Q	92.5	Very high	89.5	Confident	117 Å²	117	66.4 Å²	66.4	55%	0.547	36%	0.359	S	S	.	.	H	α-helix	trans	-68.6	-45.6	175.1	-172	179.1	2.6	0	0	111.7	D110 E111 L112 K117 K118 L217	D110-Q114 PolarHBondContact O-N 3.49Å; E111-Q114 PolarHBondContact O-N 3.46Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 2.98Å; Q114-K117 PolarHBondContact O-N 3.4Å; Q114-K118 WeakPolarHBondContact O-CB 3.41Å; Q114-K118 PolarHBondContact O-N 2.85Å; Q114-L217 HydrophobicContact CB-CD2 4.46Å; Q114-L217 HydrophobicContact CG-CD2 4.02Å
115	A	89.9	Confident	89.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-47.9	176.8	0	0	0	0	0	111.8	E111 L112 K117 K118 F119 L216 L217 L222	E111-A115 WeakPolarHBondContact O-CB 3.45Å; E111-A115 PolarHBondContact O-N 3.37Å; L112-A115 PolarHBondContact O-N 2.88Å; A115-K117 VanDerWaalsContact C-N 3.33Å; A115-K117 PolarHBondContact O-N 2.88Å; A115-K118 WeakPolarHBondContact O-CB 3.3Å; A115-K118 PolarHBondContact O-N 2.78Å; A115-F119 HydrophobicContact CB-CD2 4.37Å; A115-F119 HydrophobicContact CB-CE2 4.11Å; A115-F119 WeakPolarHBondContact O-CD2 3.04Å; A115-F119 PolarHBondContact O-N 2.81Å; A115-L216 HydrophobicContact CB-CB 4.3Å; A115-L216 WeakPolarHBondContact CB-O 3.18Å; A115-L217 HydrophobicContact CB-CD2 4.27Å; A115-L222 HydrophobicContact CB-CD2 4.39Å
116	V	89.1	Confident	89.8	Confident	44 Å²	44	68.7 Å²	68.7	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-58.4	-44.2	177.5	168.7	0	0	0	0	111.2	L112 S120 F131	L112-V116 HydrophobicContact CD1-CG2 4.08Å; L112-V116 HydrophobicContact CG-CG2 4.41Å; L112-V116 WeakPolarHBondContact O-CB 3.37Å; L112-V116 VanDerWaalsContact O-CG2 3.23Å; L112-V116 WeakPolarHBondContact O-CG2 3.48Å; L112-V116 PolarHBondContact O-N 3.35Å; V116-S120 WeakPolarHBondContact O-CB 3.27Å; V116-S120 PolarHBondContact O-N 3.24Å; V116-S120 PolarHBondContact O-OG 2.89Å; V116-F131 HydrophobicContact CB-CZ 4.22Å; V116-F131 HydrophobicContact CG1-CZ 4.07Å; V116-F131 HydrophobicContact CG2-CZ 4.14Å
117	K	91.1	Very high	89.9	Confident	145 Å²	145	70.3 Å²	70.3	63%	0.63	39%	0.394	S	S	*	.	H	α-helix	trans	-63.5	-44.2	176.5	-75.4	174.4	-176.3	177.5	0	112.1	S113 Q114 A115 L121	S113-K117 VanDerWaalsContact O-CG 3.29Å; S113-K117 WeakPolarHBondContact O-CG 3.23Å; S113-K117 PolarHBondContact O-N 3.37Å; Q114-K117 PolarHBondContact O-N 3.4Å; A115-K117 VanDerWaalsContact C-N 3.33Å; A115-K117 PolarHBondContact O-N 2.88Å; K117-L121 WeakPolarHBondContact O-CB 3.39Å; K117-L121 PolarHBondContact O-N 3.12Å
118	K	92.9	Very high	90	Very high	97 Å²	97	74.3 Å²	74.3	42%	0.422	40%	0.402	S	S	.	.	H	α-helix	trans	-58	-54.3	178.6	178.5	-173.4	172.4	-173.4	0	111	Q114 A115 L121 D122 L217	Q114-K118 WeakPolarHBondContact O-CB 3.41Å; Q114-K118 PolarHBondContact O-N 2.85Å; A115-K118 WeakPolarHBondContact O-CB 3.3Å; A115-K118 PolarHBondContact O-N 2.78Å; K118-L121 CarbonylContact O-C 3.52Å; K118-L121 PolarHBondContact O-N 3.45Å; K118-D122 PolarHBondContact O-N 2.79Å; K118-L217 HydrophobicContact CD-CD2 4.31Å; K118-L217 PolarHBondContact NZ-O 3.4Å
119	F	91.4	Very high	90	Very high	6 Å²	6	77.6 Å²	77.6	3%	0.026	41%	0.413	C	S	.	.	H	α-helix	trans	-75.7	-28.6	-173.8	-61.4	-56.1	0	0	0	113.7	A115 L121 V127 F131 L217 L219 L222	A115-F119 HydrophobicContact CB-CD2 4.37Å; A115-F119 HydrophobicContact CB-CE2 4.11Å; A115-F119 WeakPolarHBondContact O-CD2 3.04Å; A115-F119 PolarHBondContact O-N 2.81Å; F119-L121 VanDerWaalsContact C-N 3.28Å; F119-L121 PolarHBondContact O-N 2.85Å; F119-V127 HydrophobicContact CD1-CG1 3.9Å; F119-V127 HydrophobicContact CE1-CG1 4.49Å; F119-F131 HydrophobicContact CB-CB 4.08Å; F119-F131 HydrophobicContact CB-CD1 4.07Å; F119-F131 HydrophobicContact CB-CD2 3.51Å; F119-F131 HydrophobicContact CB-CE1 4.45Å; F119-F131 HydrophobicContact CB-CE2 3.9Å; F119-F131 HydrophobicContact CB-CG 3.6Å; F119-F131 HydrophobicContact CB-CZ 4.38Å; F119-F131 HydrophobicContact CD2-CD2 4.23Å; F119-F131 HydrophobicContact CD2-CE2 4.26Å; F119-F131 HydrophobicContact CG-CD2 4.18Å; F119-L217 WeakPolarHBondContact CZ-O 3.38Å; F119-L219 HydrophobicContact CD1-CB 4.34Å; F119-L219 HydrophobicContact CD1-CD1 4.38Å; F119-L219 HydrophobicContact CD2-CD1 4.21Å; F119-L219 HydrophobicContact CE1-CB 3.76Å; F119-L219 HydrophobicContact CE2-CB 4.41Å; F119-L219 HydrophobicContact CE2-CD1 4.35Å; F119-L219 HydrophobicContact CG-CD1 4.23Å; F119-L219 HydrophobicContact CZ-CB 3.78Å; F119-L219 HydrophobicContact CZ-CD1 4.48Å; F119-L219 VanDerWaalsContact CZ-N 3.31Å; F119-L222 HydrophobicContact CD2-CD2 3.76Å; F119-L222 HydrophobicContact CE2-CD2 3.8Å
120	S	89.1	Confident	90.1	Very high	35 Å²	35	76.8 Å²	76.8	25%	0.245	41%	0.406	C	S	.	.	H	α-helix	trans	-66.9	-31.6	173.8	-60.5	0	0	0	0	112.5	V116 R128 F131	V116-S120 WeakPolarHBondContact O-CB 3.27Å; V116-S120 PolarHBondContact O-N 3.24Å; V116-S120 PolarHBondContact O-OG 2.89Å; S120-R128 WeakPolarHBondContact O-CD 3.09Å; S120-F131 WeakPolarHBondContact OG-CE1 3.31Å
121	L	91.5	Very high	90.1	Very high	142 Å²	142	70.6 Å²	70.6	74%	0.743	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	15.5	-177.2	-60.4	175	0	0	0	112.4	K117 K118 F119	K117-L121 WeakPolarHBondContact O-CB 3.39Å; K117-L121 PolarHBondContact O-N 3.12Å; K118-L121 CarbonylContact O-C 3.52Å; K118-L121 PolarHBondContact O-N 3.45Å; F119-L121 VanDerWaalsContact C-N 3.28Å; F119-L121 PolarHBondContact O-N 2.85Å
122	D	90.6	Very high	90	Very high	26 Å²	26	70 Å²	70	14%	0.139	37%	0.371	C	S	.	.			trans	-61.8	132.9	-176.4	-157.5	-67.9	0	0	0	110.3	K118 D124 V127 R128	K118-D122 PolarHBondContact O-N 2.79Å; D122-D124 PolarHBondContact O-N 3.49Å; D122-D124 WeakPolarHBondContact OD1-CB 3.47Å; D122-D124 PolarHBondContact OD1-N 3.07Å; D122-V127 HydrophobicContact CB-CB 4.48Å; D122-V127 HydrophobicContact CB-CG1 4.2Å; D122-R128 HydrophobicContact CB-CB 4.41Å
123	P	91.1	Very high	89.8	Confident	128 Å²	128	71.6 Å²	71.6	83%	0.831	39%	0.39	S	S	*	.	S	Bend	trans	-64.4	-25.2	177	26.6	-35.8	0	0	0	112.7	P125	P123-P125 WeakPolarHBondContact O-CD 3.43Å
124	D	92.2	Very high	89.6	Confident	66 Å²	66	69.7 Å²	69.7	35%	0.353	38%	0.376	S	S	.	.			trans	-78.1	114.7	175.2	-172.4	-19.2	0	0	0	110.4	D122 T126 V127 R128	D122-D124 PolarHBondContact O-N 3.49Å; D122-D124 WeakPolarHBondContact OD1-CB 3.47Å; D122-D124 PolarHBondContact OD1-N 3.07Å; D124-T126 PolarHBondContact O-N 2.9Å; D124-T126 WeakPolarHBondContact OD1-CB 3.42Å; D124-T126 PolarHBondContact OD1-N 3.49Å; D124-T126 PolarHBondContact OD1-OG1 2.89Å; D124-T126 PolarHBondContact OD2-OG1 3.13Å; D124-V127 HydrophobicContact CB-CB 4.25Å; D124-V127 HydrophobicContact CB-CG2 4.03Å; D124-V127 PolarHBondContact O-N 3.05Å; D124-R128 WeakPolarHBondContact O-CB 3.46Å; D124-R128 PolarHBondContact O-N 3.17Å; D124-R128 VanDerWaalsContact O-N 3.09Å
125	P	90.4	Very high	89.1	Confident	64 Å²	64	67.3 Å²	67.3	42%	0.416	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-26.5	180	27.3	-35.1	0	0	0	113	P123 Q129	P123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-Q129 WeakPolarHBondContact O-CB 3.35Å; P125-Q129 WeakPolarHBondContact O-CG 3.38Å; P125-Q129 PolarHBondContact O-N 2.94Å
126	T	89.8	Confident	88.7	Confident	84 Å²	84	68.3 Å²	68.3	52%	0.515	38%	0.375	S	S	.	.	H	α-helix	trans	-70.1	-47.7	-179	65.2	0	0	0	0	111.2	D124 Q129 V130	D124-T126 PolarHBondContact O-N 2.9Å; D124-T126 WeakPolarHBondContact OD1-CB 3.42Å; D124-T126 PolarHBondContact OD1-N 3.49Å; D124-T126 PolarHBondContact OD1-OG1 2.89Å; D124-T126 PolarHBondContact OD2-OG1 3.13Å; T126-Q129 PolarHBondContact O-N 3.49Å; T126-V130 WeakPolarHBondContact O-CB 3.31Å; T126-V130 VanDerWaalsContact O-CG2 3.24Å; T126-V130 WeakPolarHBondContact O-CG2 3.06Å; T126-V130 PolarHBondContact O-N 3.41Å
127	V	88.3	Confident	88.6	Confident	36 Å²	36	66.8 Å²	66.8	22%	0.218	37%	0.365	C	S	.	.	H	α-helix	trans	-61.2	-49	174.9	177.2	0	0	0	0	110.1	F119 D122 D124 Q129 V130 F131 L219	F119-V127 HydrophobicContact CD1-CG1 3.9Å; F119-V127 HydrophobicContact CE1-CG1 4.49Å; D122-V127 HydrophobicContact CB-CB 4.48Å; D122-V127 HydrophobicContact CB-CG1 4.2Å; D124-V127 HydrophobicContact CB-CB 4.25Å; D124-V127 HydrophobicContact CB-CG2 4.03Å; D124-V127 PolarHBondContact O-N 3.05Å; V127-Q129 PolarHBondContact O-N 3.03Å; V127-V130 PolarHBondContact O-N 3.18Å; V127-F131 WeakPolarHBondContact O-CB 3.46Å; V127-F131 PolarHBondContact O-N 2.91Å; V127-L219 HydrophobicContact CG1-CD2 3.94Å
128	R	88.8	Confident	88	Confident	107 Å²	107	60.7 Å²	60.7	40%	0.404	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-44.2	-179.4	-171.9	178.8	69.1	-177.4	0.2	112.5	S120 D122 D124 F131 L132	S120-R128 WeakPolarHBondContact O-CD 3.09Å; D122-R128 HydrophobicContact CB-CB 4.41Å; D124-R128 WeakPolarHBondContact O-CB 3.46Å; D124-R128 PolarHBondContact O-N 3.17Å; D124-R128 VanDerWaalsContact O-N 3.09Å; R128-F131 PolarHBondContact O-N 2.89Å; R128-L132 HydrophobicContact CG-CD1 3.84Å; R128-L132 HydrophobicContact CG-CG 4.35Å; R128-L132 WeakPolarHBondContact O-CB 3.49Å; R128-L132 VanDerWaalsContact O-CG 3.25Å; R128-L132 WeakPolarHBondContact O-CG 3.46Å; R128-L132 PolarHBondContact O-N 3.19Å
129	Q	88.9	Confident	87.1	Confident	128 Å²	128	58.8 Å²	58.8	60%	0.598	34%	0.337	S	S	*	.	H	α-helix	trans	-66.1	-44.2	178.9	-77.8	175.2	-0.6	0	0	111.8	P125 T126 V127 F131 L132 A133	P125-Q129 WeakPolarHBondContact O-CB 3.35Å; P125-Q129 WeakPolarHBondContact O-CG 3.38Å; P125-Q129 PolarHBondContact O-N 2.94Å; T126-Q129 PolarHBondContact O-N 3.49Å; V127-Q129 PolarHBondContact O-N 3.03Å; Q129-F131 VanDerWaalsContact C-N 3.31Å; Q129-F131 PolarHBondContact O-N 3.3Å; Q129-L132 PolarHBondContact O-N 3.17Å; Q129-A133 WeakPolarHBondContact O-CB 3.22Å; Q129-A133 PolarHBondContact O-N 3.38Å
130	V	88.4	Confident	86	Confident	75 Å²	75	63.6 Å²	63.6	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-43.6	176.7	169	0	0	0	0	110.8	T126 V127 D134 L219	T126-V130 WeakPolarHBondContact O-CB 3.31Å; T126-V130 VanDerWaalsContact O-CG2 3.24Å; T126-V130 WeakPolarHBondContact O-CG2 3.06Å; T126-V130 PolarHBondContact O-N 3.41Å; V127-V130 PolarHBondContact O-N 3.18Å; V130-D134 PolarHBondContact O-N 3.33Å; V130-L219 HydrophobicContact CG1-CD2 4.49Å
131	F	88.8	Confident	84.9	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-63.2	-52.2	176.5	178.1	-93.6	0	0	0	111.9	V116 F119 S120 V127 R128 Q129 A133 D134 I137 N138 L219 L222	V116-F131 HydrophobicContact CB-CZ 4.22Å; V116-F131 HydrophobicContact CG1-CZ 4.07Å; V116-F131 HydrophobicContact CG2-CZ 4.14Å; F119-F131 HydrophobicContact CB-CB 4.08Å; F119-F131 HydrophobicContact CB-CD1 4.07Å; F119-F131 HydrophobicContact CB-CD2 3.51Å; F119-F131 HydrophobicContact CB-CE1 4.45Å; F119-F131 HydrophobicContact CB-CE2 3.9Å; F119-F131 HydrophobicContact CB-CG 3.6Å; F119-F131 HydrophobicContact CB-CZ 4.38Å; F119-F131 HydrophobicContact CD2-CD2 4.23Å; F119-F131 HydrophobicContact CD2-CE2 4.26Å; F119-F131 HydrophobicContact CG-CD2 4.18Å; S120-F131 WeakPolarHBondContact OG-CE1 3.31Å; V127-F131 WeakPolarHBondContact O-CB 3.46Å; V127-F131 PolarHBondContact O-N 2.91Å; R128-F131 PolarHBondContact O-N 2.89Å; Q129-F131 VanDerWaalsContact C-N 3.31Å; Q129-F131 PolarHBondContact O-N 3.3Å; F131-A133 VanDerWaalsContact C-N 3.29Å; F131-A133 PolarHBondContact O-N 3.44Å; F131-D134 WeakPolarHBondContact O-CB 3.47Å; F131-D134 PolarHBondContact O-N 3.1Å; F131-D134 VanDerWaalsContact O-N 3.14Å; F131-I137 HydrophobicContact CD2-CG2 4.17Å; F131-I137 HydrophobicContact CE2-CG2 3.44Å; F131-I137 VanDerWaalsContact CE2-CG2 3.44Å; F131-I137 HydrophobicContact CZ-CG2 3.78Å; F131-N138 WeakPolarHBondContact CD1-ND2 3.12Å; F131-N138 WeakPolarHBondContact CE1-ND2 3.47Å; F131-N138 PolarHBondContact O-ND2 2.9Å; F131-L219 HydrophobicContact CD2-CD1 4.11Å; F131-L222 HydrophobicContact CD2-CD2 4.43Å; F131-L222 HydrophobicContact CE2-CD2 3.96Å
132	L	86.9	Confident	83.5	Confident	72 Å²	72	61.4 Å²	61.4	38%	0.377	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-27.4	-177.2	-68.9	175	0	0	0	113.6	R128 Q129 D134	R128-L132 HydrophobicContact CG-CD1 3.84Å; R128-L132 HydrophobicContact CG-CG 4.35Å; R128-L132 WeakPolarHBondContact O-CB 3.49Å; R128-L132 VanDerWaalsContact O-CG 3.25Å; R128-L132 WeakPolarHBondContact O-CG 3.46Å; R128-L132 PolarHBondContact O-N 3.19Å; Q129-L132 PolarHBondContact O-N 3.17Å; L132-D134 VanDerWaalsContact C-N 3.35Å
133	A	85.6	Confident	82.1	Confident	72 Å²	72	66.2 Å²	66.2	60%	0.595	40%	0.404	S	S	*	.	H	α-helix	trans	-79.3	-17.8	175.8	0	0	0	0	0	113.1	Q129 F131 T135	Q129-A133 WeakPolarHBondContact O-CB 3.22Å; Q129-A133 PolarHBondContact O-N 3.38Å; F131-A133 VanDerWaalsContact C-N 3.29Å; F131-A133 PolarHBondContact O-N 3.44Å; A133-T135 PolarHBondContact O-N 3.1Å; A133-T135 VanDerWaalsContact O-N 3.11Å
134	D	84.7	Confident	80.9	Confident	20 Å²	20	61.8 Å²	61.8	11%	0.107	37%	0.372	C	S	.	.			trans	-73.2	103	177.9	-167.1	-43	0	0	0	110.1	V130 F131 L132 V136 I137 N138	V130-D134 PolarHBondContact O-N 3.33Å; F131-D134 WeakPolarHBondContact O-CB 3.47Å; F131-D134 PolarHBondContact O-N 3.1Å; F131-D134 VanDerWaalsContact O-N 3.14Å; L132-D134 VanDerWaalsContact C-N 3.35Å; D134-V136 VanDerWaalsContact C-N 3.27Å; D134-V136 PolarHBondContact O-N 3.24Å; D134-V136 WeakPolarHBondContact OD1-CB 3.42Å; D134-V136 PolarHBondContact OD1-N 3.45Å; D134-I137 HydrophobicContact CB-CB 4.19Å; D134-I137 HydrophobicContact CB-CD1 4.05Å; D134-I137 HydrophobicContact CB-CG1 4.14Å; D134-I137 PolarHBondContact O-N 2.97Å; D134-I137 PolarHBondContact OD1-N 3.02Å; D134-I137 VanDerWaalsContact OD1-N 3.09Å; D134-I137 WeakPolarHBondContact OD2-CD1 3.07Å; D134-N138 WeakPolarHBondContact O-CB 3.31Å; D134-N138 PolarHBondContact O-N 2.64Å
135	T	80.7	Confident	80.2	Confident	66 Å²	66	61.7 Å²	61.7	41%	0.405	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-20	-176	52.8	0	0	0	0	113.7	A133 N138 P139 H144	A133-T135 PolarHBondContact O-N 3.1Å; A133-T135 VanDerWaalsContact O-N 3.11Å; T135-N138 CarbonylContact O-C 3.44Å; T135-P139 WeakPolarHBondContact O-CA 3.4Å; T135-H144 VanDerWaalsContact CB-CE1 3.48Å; T135-H144 WeakPolarHBondContact CB-CE1 3.31Å
136	V	83.5	Confident	80.2	Confident	21 Å²	21	58.7 Å²	58.7	13%	0.127	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-42.3	176.3	-177.8	0	0	0	0	109.5	L104 D134 F226 T230	L104-V136 HydrophobicContact CD1-CG1 3.75Å; D134-V136 VanDerWaalsContact C-N 3.27Å; D134-V136 PolarHBondContact O-N 3.24Å; D134-V136 WeakPolarHBondContact OD1-CB 3.42Å; D134-V136 PolarHBondContact OD1-N 3.45Å; V136-F226 HydrophobicContact CG1-CB 4.12Å; V136-F226 HydrophobicContact CG1-CD1 3.8Å; V136-F226 HydrophobicContact CG1-CG 4.36Å; V136-T230 HydrophobicContact CG1-CG2 4.42Å; V136-T230 VanDerWaalsContact CG1-OG1 3.29Å; V136-T230 WeakPolarHBondContact CG1-OG1 3.4Å; V136-T230 HydrophobicContact CG2-CG2 4.03Å
137	I	85.4	Confident	80.3	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.062	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-41.2	177.5	-57.9	179	0	0	0	110.9	F131 D134 P139 Q223 F226	F131-I137 HydrophobicContact CD2-CG2 4.17Å; F131-I137 HydrophobicContact CE2-CG2 3.44Å; F131-I137 VanDerWaalsContact CE2-CG2 3.44Å; F131-I137 HydrophobicContact CZ-CG2 3.78Å; D134-I137 HydrophobicContact CB-CB 4.19Å; D134-I137 HydrophobicContact CB-CD1 4.05Å; D134-I137 HydrophobicContact CB-CG1 4.14Å; D134-I137 PolarHBondContact O-N 2.97Å; D134-I137 PolarHBondContact OD1-N 3.02Å; D134-I137 VanDerWaalsContact OD1-N 3.09Å; D134-I137 WeakPolarHBondContact OD2-CD1 3.07Å; I137-P139 WeakPolarHBondContact O-CD 3.11Å; I137-Q223 HydrophobicContact CD1-CG 3.91Å; I137-F226 HydrophobicContact CB-CD2 4.49Å; I137-F226 HydrophobicContact CB-CE2 4.32Å; I137-F226 HydrophobicContact CB-CZ 4.47Å; I137-F226 HydrophobicContact CD1-CD2 4.11Å; I137-F226 HydrophobicContact CG1-CB 4.31Å; I137-F226 HydrophobicContact CG1-CD1 4.34Å; I137-F226 HydrophobicContact CG1-CD2 3.56Å; I137-F226 HydrophobicContact CG1-CE2 3.84Å; I137-F226 HydrophobicContact CG1-CG 3.82Å; I137-F226 HydrophobicContact CG1-CZ 4.35Å; I137-F226 HydrophobicContact CG2-CE2 4.04Å; I137-F226 HydrophobicContact CG2-CZ 4.28Å
138	N	79.6	Confident	80.5	Confident	18 Å²	18	55.4 Å²	55.4	10%	0.096	33%	0.333	C	S	.	.			trans	-115.9	73	-176.3	-65.7	-66.4	0	0	0	111.5	F131 D134 T135 S140 V141	F131-N138 WeakPolarHBondContact CD1-ND2 3.12Å; F131-N138 WeakPolarHBondContact CE1-ND2 3.47Å; F131-N138 PolarHBondContact O-ND2 2.9Å; D134-N138 WeakPolarHBondContact O-CB 3.31Å; D134-N138 PolarHBondContact O-N 2.64Å; T135-N138 CarbonylContact O-C 3.44Å; N138-S140 PolarHBondContact O-N 2.68Å; N138-V141 HydrophobicContact CB-CG2 4.15Å; N138-V141 PolarHBondContact O-N 3.42Å
139	P	73.9	Confident	80.8	Confident	56 Å²	56	50.5 Å²	50.5	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5.6	-177.2	29.5	-37.2	0	0	0	113.6	T135 I137 V141 H144	T135-P139 WeakPolarHBondContact O-CA 3.4Å; I137-P139 WeakPolarHBondContact O-CD 3.11Å; P139-V141 VanDerWaalsContact C-N 3.25Å; P139-H144 PolarHBondContact O-CD2 2.83Å
140	S	67.8	Low	81.1	Confident	108 Å²	108	44.5 Å²	44.5	76%	0.755	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.6	171	50.2	0	0	0	0	113.2	N138	N138-S140 PolarHBondContact O-N 2.68Å
141	V	66.2	Low	81.5	Confident	71 Å²	71	41.2 Å²	41.2	43%	0.43	27%	0.267	S	S	.	.	S	Bend	trans	-98	93.1	-178.9	-175	0	0	0	0	108.9	N138 P139 H144	N138-V141 HydrophobicContact CB-CG2 4.15Å; N138-V141 PolarHBondContact O-N 3.42Å; P139-V141 VanDerWaalsContact C-N 3.25Å; V141-H144 PolarHBondContact O-NE2 3.23Å
142	G	61.7	Low	81.9	Confident	59 Å²	59	42.1 Å²	42.1	61%	0.608	27%	0.271	S	S	*	.	S	Bend	trans	119.1	179.1	174.5	0	0	0	0	0	115.5
143	V	62.3	Low	82.3	Confident	128 Å²	128	38.8 Å²	38.8	78%	0.776	25%	0.253	S	S	*	.			trans	-93	96.6	176.9	-176.4	0	0	0	0	108.9
144	H	65.3	Low	82.7	Confident	34 Å²	34	36.8 Å²	36.8	16%	0.157	23%	0.234	C	C	.	.			trans	-102.2	6.6	-177.7	-62.4	-63.4	0	0	0	114.1	T135 P139 V141 L170	T135-H144 VanDerWaalsContact CB-CE1 3.48Å; T135-H144 WeakPolarHBondContact CB-CE1 3.31Å; P139-H144 PolarHBondContact O-CD2 2.83Å; V141-H144 PolarHBondContact O-NE2 3.23Å; H144-L170 WeakPolarHBondContact O-CB 3.41Å
145	S	78.3	Confident	83	Confident	65 Å²	65	37.7 Å²	37.7	46%	0.455	24%	0.239	S	C	.	.			trans	-88	116	173.9	176	0	0	0	0	109.8	S69	S69-S145 CarbonylContact O-C 3.55Å; S69-S145 PolarHBondContact O-OG 2.86Å
146	G	89.1	Confident	83.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	160.1	172.5	172.5	0	0	0	0	0	113.6	S69 T169 L170	S69-G146 VanDerWaalsContact O-CA 3.31Å; S69-G146 WeakPolarHBondContact O-CA 3.46Å; G146-T169 CarbonylContact O-C 3.59Å; G146-T169 WeakPolarHBondContact O-CA 3.46Å; G146-L170 PolarHBondContact O-N 3.19Å
147	M	93.1	Very high	83.6	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126	172.2	-64.6	-61.9	178.8	0	0	110	S51 C67 T68 L72 I95 V97 T169	S51-M147 CarbonylContact C-O 3.58Å; S51-M147 WeakPolarHBondContact CB-O 3.36Å; S51-M147 PolarHBondContact OG-N 3.13Å; S51-M147 PolarHBondContact OG-O 2.82Å; C67-M147 HydrophobicContact CB-CB 3.64Å; T68-M147 PolarHBondContact O-N 2.75Å; L72-M147 HydrophobicContact CB-CE 3.96Å; L72-M147 HydrophobicContact CB-CG 3.95Å; L72-M147 HydrophobicContact CB-SD 4.27Å; L72-M147 HydrophobicContact CD1-CG 4.45Å; I95-M147 WeakPolarHBondContact O-CE 3.24Å; V97-M147 HydrophobicContact CB-CE 4.4Å; V97-M147 HydrophobicContact CG2-CE 3.6Å; V97-M147 HydrophobicContact CG2-CG 3.95Å; V97-M147 HydrophobicContact CG2-SD 4.05Å; M147-T169 HydrophobicContact CE-CG2 4.36Å; M147-T169 HydrophobicContact SD-CG2 3.78Å
148	K	92.5	Very high	83.7	Confident	49 Å²	49	34.4 Å²	34.4	21%	0.213	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-45.8	178	-178.5	174.6	175.5	-177.7	0	111.1	G52 L168 L170 N172 P231	G52-K148 WeakPolarHBondContact CA-O 3.49Å; K148-L168 WeakPolarHBondContact CA-O 3.43Å; K148-L168 HydrophobicContact CB-CG 4.16Å; K148-L168 WeakPolarHBondContact CB-O 3.41Å; K148-L168 HydrophobicContact CD-CD2 3.81Å; K148-L168 HydrophobicContact CD-CG 4.06Å; K148-L168 HydrophobicContact CG-CD2 4.27Å; K148-L168 HydrophobicContact CG-CG 4.43Å; K148-L168 PolarHBondContact N-O 3.18Å; K148-L170 HydrophobicContact CB-CD2 3.89Å; K148-L170 HydrophobicContact CB-CG 4.3Å; K148-L170 HydrophobicContact CG-CD2 4.2Å; K148-N172 PolarHBondContact NZ-OD1 3.31Å; K148-N172 VanDerWaalsContact NZ-OD1 3.14Å; K148-P231 PolarHBondContact NZ-O 3.07Å; K148-P231 VanDerWaalsContact NZ-O 3.09Å
149	F	93.9	Very high	83.7	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	154.2	-175	-172.2	-111.3	0	0	0	111.5	Q54 R57 L168 K233 M234	Q54-F149 HydrophobicContact CB-CD2 3.91Å; Q54-F149 HydrophobicContact CB-CE2 3.79Å; R57-F149 VanDerWaalsContact NH2-CZ 3.33Å; F149-L168 HydrophobicContact CB-CB 4.36Å; F149-L168 HydrophobicContact CB-CD2 4.5Å; F149-L168 PolarHBondContact N-O 3.34Å; F149-L168 PolarHBondContact O-N 3.48Å; F149-K233 HydrophobicContact CD1-CD 3.99Å; F149-K233 HydrophobicContact CD2-CD 4.44Å; F149-K233 HydrophobicContact CE1-CD 4.1Å; F149-K233 VanDerWaalsContact CE2-CE 3.43Å; F149-K233 VanDerWaalsContact CE2-NZ 3.26Å; F149-K233 HydrophobicContact CG-CD 4.2Å; F149-K233 HydrophobicContact CZ-CD 4.37Å; F149-M234 HydrophobicContact CB-CE 4.41Å; F149-M234 HydrophobicContact CD1-CE 3.45Å; F149-M234 VanDerWaalsContact CD1-CE 3.45Å; F149-M234 HydrophobicContact CD1-SD 3.56Å; F149-M234 VanDerWaalsContact CD1-SD 3.56Å; F149-M234 HydrophobicContact CE1-CE 4.07Å; F149-M234 WeakPolarHBondContact CE1-O 3.44Å; F149-M234 HydrophobicContact CE1-SD 4.18Å; F149-M234 HydrophobicContact CG-CE 4.34Å
150	A	95.9	Very high	83.9	Confident	2 Å²	2	36.2 Å²	36.2	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.1	174.9	0	0	0	0	0	110.3	R57 A65 L72 L165 A166	R57-A150 WeakPolarHBondContact CG-O 3.48Å; A65-A150 HydrophobicContact CB-CB 4.32Å; L72-A150 HydrophobicContact CD1-CB 3.85Å; L72-A150 HydrophobicContact CD2-CB 3.98Å; A150-L165 HydrophobicContact CB-CD1 4.26Å; A150-A166 VanDerWaalsContact CA-O 3.31Å; A150-A166 WeakPolarHBondContact CA-O 3.35Å
151	S	95.9	Very high	84.5	Confident	5 Å²	5	32.6 Å²	32.6	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.5	175.7	-173	0	0	0	0	111.7	A166 E235 W236	S151-A166 PolarHBondContact N-O 2.86Å; S151-A166 PolarHBondContact O-N 2.95Å; S151-E235 PolarHBondContact OG-OE2 2.83Å; S151-W236 PolarHBondContact O-NE1 3.02Å
152	W	96.7	Very high	85.5	Confident	20 Å²	20	29.4 Å²	29.4	8%	0.076	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.4	-179.1	-67.2	108.1	0	0	0	110.6	R57 S59 R63 A65 V74 C163 L165 W185	R57-W152 PolarHBondContact O-NE1 3.28Å; S59-W152 VanDerWaalsContact CB-CD2 3.43Å; S59-W152 VanDerWaalsContact CB-CG 3.41Å; R63-W152 HydrophobicContact CB-CH2 3.81Å; R63-W152 HydrophobicContact CB-CZ2 3.83Å; R63-W152 PolarHBondContact O-NE1 2.83Å; A65-W152 HydrophobicContact CB-CZ2 3.71Å; V74-W152 HydrophobicContact CG1-CH2 3.98Å; V74-W152 HydrophobicContact CG1-CZ2 4.1Å; W152-C163 HydrophobicContact CE3-CB 3.96Å; W152-L165 HydrophobicContact CD2-CD1 3.71Å; W152-L165 HydrophobicContact CE3-CB 3.94Å; W152-L165 HydrophobicContact CE3-CD1 3.78Å; W152-L165 HydrophobicContact CE3-CG 4.32Å; W152-L165 HydrophobicContact CG-CD1 4.39Å; W152-L165 HydrophobicContact CH2-CB 4.25Å; W152-L165 HydrophobicContact CH2-CD1 4.02Å; W152-L165 HydrophobicContact CH2-CD2 3.69Å; W152-L165 HydrophobicContact CH2-CG 4.21Å; W152-L165 HydrophobicContact CZ2-CD1 3.95Å; W152-L165 HydrophobicContact CZ2-CD2 4.12Å; W152-L165 HydrophobicContact CZ3-CB 3.67Å; W152-L165 HydrophobicContact CZ3-CD1 3.94Å; W152-L165 HydrophobicContact CZ3-CD2 3.99Å; W152-L165 HydrophobicContact CZ3-CG 4.08Å; W152-W185 AromaticContact CH2-CH2 3.78Å; W152-W185 HydrophobicContact CH2-CH2 3.78Å; W152-W185 HydrophobicContact CH2-CZ2 4.46Å; W152-W185 AromaticContact CZ3-CH2 3.95Å; W152-W185 HydrophobicContact CZ3-CH2 3.95Å
153	S	96.6	Very high	87	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.007	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-69	166.6	170.2	80.5	0	0	0	0	111	C157 C163 L164	S153-C157 VanDerWaalsContact OG-CB 3.3Å; S153-C157 WeakPolarHBondContact OG-CB 3.47Å; S153-C157 PolarHBondContact OG-SG 2.83Å; S153-C157 VanDerWaalsContact OG-SG 3.35Å; S153-C163 WeakPolarHBondContact O-CB 3.17Å; S153-C163 PolarHBondContact O-SG 3.14Å; S153-L164 PolarHBondContact N-O 3.36Å; S153-L164 PolarHBondContact OG-N 3.48Å
154	P	94.1	Very high	88.5	Confident	30 Å²	30	20.5 Å²	20.5	20%	0.195	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-54.6	156.3	164.6	-23.9	34	0	0	0	112.5	C157 S237 I239 V257	P154-C157 PolarHBondContact O-SG 2.83Å; P154-S237 WeakPolarHBondContact CG-O 3.26Å; P154-I239 HydrophobicContact CB-CD1 4.08Å; P154-I239 HydrophobicContact CB-CG1 3.9Å; P154-I239 HydrophobicContact CG-CG1 4.26Å; P154-V257 HydrophobicContact CG-CG2 4.22Å
155	L	90.1	Very high	90	Very high	40 Å²	40	18.9 Å²	18.9	21%	0.209	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	139.2	173.7	-178.1	74.6	0	0	0	110.3	P60 D61 G161 I239 F517 K518	P60-L155 HydrophobicContact CB-CB 4.34Å; D61-L155 HydrophobicContact CB-CD1 3.58Å; L155-G161 WeakPolarHBondContact CD1-O 3.44Å; L155-I239 WeakPolarHBondContact O-CD1 3.38Å; L155-F517 HydrophobicContact CD1-CE1 4Å; L155-K518 HydrophobicContact CD2-CD 3.97Å; L155-K518 HydrophobicContact CD2-CG 3.81Å
156	G	86.8	Confident	90.9	Very high	28 Å²	28	15.8 Å²	15.8	29%	0.289	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.2	4.5	178.9	0	0	0	0	0	115.2	G161	G156-G161 VanDerWaalsContact CA-O 3.31Å; G156-G161 WeakPolarHBondContact CA-O 3.35Å; G156-G161 PolarHBondContact N-O 3.15Å; G156-G161 VanDerWaalsContact N-O 3.07Å
157	C	90.3	Very high	91.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.105	C	C	.	.			trans	-83.6	-35.3	-172.5	-67.2	0	0	0	0	114.1	S153 P154 R162 L164 L275 F277	S153-C157 VanDerWaalsContact OG-CB 3.3Å; S153-C157 WeakPolarHBondContact OG-CB 3.47Å; S153-C157 PolarHBondContact OG-SG 2.83Å; S153-C157 VanDerWaalsContact OG-SG 3.35Å; P154-C157 PolarHBondContact O-SG 2.83Å; C157-R162 PolarHBondContact N-O 2.79Å; C157-L164 HydrophobicContact CB-CD1 3.87Å; C157-L164 HydrophobicContact CB-CG 3.84Å; C157-L275 HydrophobicContact CB-CD2 3.9Å; C157-L275 WeakPolarHBondContact O-CD2 3.49Å; C157-F277 WeakPolarHBondContact O-CB 3.43Å; C157-F277 PolarHBondContact O-N 3.1Å
158	D	87.1	Confident	91.3	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.011	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-81.6	172.5	178.7	83.9	0.1	0	0	0	112.6	S160 G161 R162 L164	D158-S160 PolarHBondContact O-N 3.21Å; D158-S160 VanDerWaalsContact O-N 3.1Å; D158-S160 VanDerWaalsContact OD1-C 3.22Å; D158-S160 VanDerWaalsContact OD1-CA 3.27Å; D158-S160 WeakPolarHBondContact OD1-CA 3.35Å; D158-S160 WeakPolarHBondContact OD1-CB 3.22Å; D158-S160 PolarHBondContact OD1-N 3.27Å; D158-G161 PolarHBondContact O-N 3.37Å; D158-G161 PolarHBondContact OD1-N 2.75Å; D158-R162 PolarHBondContact N-O 3.17Å; D158-R162 PolarHBondContact OD1-N 3.31Å; D158-R162 WeakPolarHBondContact OD2-CB 3.49Å; D158-R162 IonicContact OD2-NE 2.7Å; D158-L164 HydrophobicContact CB-CD2 3.72Å; D158-L164 HydrophobicContact CB-CG 4.47Å
159	S	80.3	Confident	91.4	Very high	79 Å²	79	13.4 Å²	13.4	55%	0.552	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.5	177.6	57.5	0	0	0	0	114.9	F277	S159-F277 PolarHBondContact N-O 3.28Å
160	S	77.3	Confident	91.2	Very high	33 Å²	33	15.6 Å²	15.6	23%	0.231	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	2.1	179.6	-60.6	0	0	0	0	112.4	D158 P767	D158-S160 PolarHBondContact O-N 3.21Å; D158-S160 VanDerWaalsContact O-N 3.1Å; D158-S160 VanDerWaalsContact OD1-C 3.22Å; D158-S160 VanDerWaalsContact OD1-CA 3.27Å; D158-S160 WeakPolarHBondContact OD1-CA 3.35Å; D158-S160 WeakPolarHBondContact OD1-CB 3.22Å; D158-S160 PolarHBondContact OD1-N 3.27Å; S160-P767 WeakPolarHBondContact O-CB 3.19Å
161	G	80.8	Confident	90.8	Very high	32 Å²	32	16.5 Å²	16.5	33%	0.33	11%	0.111	S	C	.	.	S	Bend	trans	78.6	19.4	-177.7	0	0	0	0	0	114.6	L155 G156 D158	L155-G161 WeakPolarHBondContact CD1-O 3.44Å; G156-G161 VanDerWaalsContact CA-O 3.31Å; G156-G161 WeakPolarHBondContact CA-O 3.35Å; G156-G161 PolarHBondContact N-O 3.15Å; G156-G161 VanDerWaalsContact N-O 3.07Å; D158-G161 PolarHBondContact O-N 3.37Å; D158-G161 PolarHBondContact OD1-N 2.75Å
162	R	87.3	Confident	90.5	Very high	3 Å²	3	17 Å²	17	1%	0.011	11%	0.113	C	C	.	.			trans	-102.2	178.4	177	-62.6	-165.8	-62.8	-178.4	-2	112.2	D61 E76 C157 D158 S179 P767	D61-R162 WeakPolarHBondContact OD2-CB 3.41Å; E76-R162 IonicContact OE1-NH1 3.98Å; C157-R162 PolarHBondContact N-O 2.79Å; D158-R162 PolarHBondContact N-O 3.17Å; D158-R162 PolarHBondContact OD1-N 3.31Å; D158-R162 WeakPolarHBondContact OD2-CB 3.49Å; D158-R162 IonicContact OD2-NE 2.7Å; R162-S179 PolarHBondContact NH2-O 2.91Å; R162-S179 PolarHBondContact NH2-OG 2.84Å; R162-P767 HydrophobicContact CG-CB 4.5Å; R162-P767 HydrophobicContact CG-CG 4.17Å
163	C	93.1	Very high	90.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.112	C	C	.	.			trans	-75.6	144.9	175.1	-59.4	0	0	0	0	112.1	D61 R63 W152 S153	D61-C163 VanDerWaalsContact CG-SG 3.6Å; D61-C163 WeakPolarHBondContact OD2-CB 3.39Å; D61-C163 PolarHBondContact OD2-N 2.91Å; R63-C163 PolarHBondContact NH2-O 3.3Å; W152-C163 HydrophobicContact CE3-CB 3.96Å; S153-C163 WeakPolarHBondContact O-CB 3.17Å; S153-C163 PolarHBondContact O-SG 3.14Å
164	L	94.6	Very high	90.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.113	C	C	.	.			trans	-84.1	154.7	162.8	-59.7	171	0	0	0	109.9	S153 C157 D158 V176 L188 W236 F277	S153-L164 PolarHBondContact N-O 3.36Å; S153-L164 PolarHBondContact OG-N 3.48Å; C157-L164 HydrophobicContact CB-CD1 3.87Å; C157-L164 HydrophobicContact CB-CG 3.84Å; D158-L164 HydrophobicContact CB-CD2 3.72Å; D158-L164 HydrophobicContact CB-CG 4.47Å; L164-V176 HydrophobicContact CB-CG1 4.16Å; L164-V176 HydrophobicContact CD1-CG1 4.47Å; L164-L188 HydrophobicContact CD2-CD1 3.88Å; L164-W236 HydrophobicContact CB-CZ2 4.44Å; L164-W236 HydrophobicContact CD1-CH2 4.34Å; L164-F277 HydrophobicContact CD1-CB 4.08Å; L164-F277 HydrophobicContact CD1-CD1 3.68Å; L164-F277 HydrophobicContact CD1-CG 4.22Å; L164-F277 HydrophobicContact CD2-CD1 4.1Å
165	L	96.3	Very high	90.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.4	179.5	-176.2	53.4	0	0	0	110.8	A65 L72 V74 I95 A150 W152 V176 H177 W185	A65-L165 HydrophobicContact CB-CD1 4.4Å; L72-L165 HydrophobicContact CD2-CD1 4.24Å; L72-L165 HydrophobicContact CD2-CD2 3.6Å; L72-L165 HydrophobicContact CD2-CG 4.04Å; V74-L165 HydrophobicContact CG2-CD2 3.96Å; I95-L165 HydrophobicContact CD1-CD2 3.86Å; A150-L165 HydrophobicContact CB-CD1 4.26Å; W152-L165 HydrophobicContact CD2-CD1 3.71Å; W152-L165 HydrophobicContact CE3-CB 3.94Å; W152-L165 HydrophobicContact CE3-CD1 3.78Å; W152-L165 HydrophobicContact CE3-CG 4.32Å; W152-L165 HydrophobicContact CG-CD1 4.39Å; W152-L165 HydrophobicContact CH2-CB 4.25Å; W152-L165 HydrophobicContact CH2-CD1 4.02Å; W152-L165 HydrophobicContact CH2-CD2 3.69Å; W152-L165 HydrophobicContact CH2-CG 4.21Å; W152-L165 HydrophobicContact CZ2-CD1 3.95Å; W152-L165 HydrophobicContact CZ2-CD2 4.12Å; W152-L165 HydrophobicContact CZ3-CB 3.67Å; W152-L165 HydrophobicContact CZ3-CD1 3.94Å; W152-L165 HydrophobicContact CZ3-CD2 3.99Å; W152-L165 HydrophobicContact CZ3-CG 4.08Å; L165-V176 WeakPolarHBondContact O-CA 3.14Å; L165-H177 PolarHBondContact N-O 3.48Å; L165-H177 PolarHBondContact O-N 3.38Å; L165-W185 HydrophobicContact CB-CH2 4.36Å; L165-W185 HydrophobicContact CB-CZ3 3.88Å; L165-W185 HydrophobicContact CD2-CE3 4.5Å; L165-W185 HydrophobicContact CD2-CH2 3.84Å; L165-W185 HydrophobicContact CD2-CZ2 4.39Å; L165-W185 HydrophobicContact CD2-CZ3 3.89Å
166	A	96.9	Very high	90.5	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.4	169.7	0	0	0	0	0	109.8	A150 S151 L174 T175 V176 M234 W236 L259	A150-A166 VanDerWaalsContact CA-O 3.31Å; A150-A166 WeakPolarHBondContact CA-O 3.35Å; S151-A166 PolarHBondContact N-O 2.86Å; S151-A166 PolarHBondContact O-N 2.95Å; A166-L174 HydrophobicContact CB-CD1 4.49Å; A166-T175 CarbonylContact C-O 3.53Å; A166-T175 WeakPolarHBondContact CA-O 3.4Å; A166-V176 HydrophobicContact CB-CG2 4.41Å; A166-M234 HydrophobicContact CB-CE 4.17Å; A166-M234 HydrophobicContact CB-CG 4.27Å; A166-M234 WeakPolarHBondContact O-CE 3.22Å; A166-W236 HydrophobicContact CB-CZ2 3.92Å; A166-L259 HydrophobicContact CB-CD2 4.41Å
167	C	96.1	Very high	90.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.1	-178.5	-55	0	0	0	0	109.5	L72 L174 T175	L72-C167 HydrophobicContact CD2-CB 4.42Å; L72-C167 WeakPolarHBondContact CD2-SG 3.46Å; C167-L174 WeakPolarHBondContact O-CA 3.48Å; C167-T175 PolarHBondContact N-O 2.9Å; C167-T175 PolarHBondContact O-N 3.34Å
168	L	95.4	Very high	91	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.9	171.6	178.3	61.3	0	0	0	108.9	K148 F149 L174 P231 V232 M234	K148-L168 WeakPolarHBondContact CA-O 3.43Å; K148-L168 HydrophobicContact CB-CG 4.16Å; K148-L168 WeakPolarHBondContact CB-O 3.41Å; K148-L168 HydrophobicContact CD-CD2 3.81Å; K148-L168 HydrophobicContact CD-CG 4.06Å; K148-L168 HydrophobicContact CG-CD2 4.27Å; K148-L168 HydrophobicContact CG-CG 4.43Å; K148-L168 PolarHBondContact N-O 3.18Å; F149-L168 HydrophobicContact CB-CB 4.36Å; F149-L168 HydrophobicContact CB-CD2 4.5Å; F149-L168 PolarHBondContact N-O 3.34Å; F149-L168 PolarHBondContact O-N 3.48Å; L168-L174 HydrophobicContact CB-CD1 4.36Å; L168-L174 HydrophobicContact CD1-CB 4.32Å; L168-P231 HydrophobicContact CD1-CB 3.97Å; L168-P231 HydrophobicContact CD1-CG 3.54Å; L168-P231 HydrophobicContact CD2-CB 4.48Å; L168-V232 WeakPolarHBondContact CD2-O 3.37Å; L168-M234 HydrophobicContact CB-CE 3.78Å; L168-M234 HydrophobicContact CB-SD 3.79Å; L168-M234 HydrophobicContact CD2-SD 4.22Å
169	T	93.6	Very high	90.9	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	164	178.4	45.5	0	0	0	0	111.3	G146 M147 D171 N172 C173	G146-T169 CarbonylContact O-C 3.59Å; G146-T169 WeakPolarHBondContact O-CA 3.46Å; M147-T169 HydrophobicContact CE-CG2 4.36Å; M147-T169 HydrophobicContact SD-CG2 3.78Å; T169-D171 VanDerWaalsContact C-N 3.28Å; T169-D171 WeakPolarHBondContact CB-OD1 3.31Å; T169-D171 PolarHBondContact O-N 3.1Å; T169-D171 PolarHBondContact OG1-OD1 3.25Å; T169-N172 PolarHBondContact O-N 2.98Å; T169-C173 PolarHBondContact N-O 3.23Å; T169-C173 VanDerWaalsContact N-O 3.13Å; T169-C173 WeakPolarHBondContact OG1-CA 3.35Å; T169-C173 VanDerWaalsContact OG1-CB 3.23Å; T169-C173 WeakPolarHBondContact OG1-CB 3.44Å; T169-C173 PolarHBondContact OG1-N 3.06Å; T169-C173 PolarHBondContact OG1-O 2.85Å
170	L	89.8	Confident	90.7	Very high	50 Å²	50	17.7 Å²	17.7	26%	0.262	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.6	178.3	-75.4	173.7	0	0	0	113	H144 G146 K148 N172	H144-L170 WeakPolarHBondContact O-CB 3.41Å; G146-L170 PolarHBondContact O-N 3.19Å; K148-L170 HydrophobicContact CB-CD2 3.89Å; K148-L170 HydrophobicContact CB-CG 4.3Å; K148-L170 HydrophobicContact CG-CD2 4.2Å; L170-N172 PolarHBondContact O-N 2.87Å
171	D	87.3	Confident	90.1	Very high	20 Å²	20	18.4 Å²	18.4	11%	0.107	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	13.9	168.7	69.5	-31.2	0	0	0	112.9	H102 T169 C173	H102-D171 WeakPolarHBondContact CB-OD2 3.47Å; H102-D171 PolarHBondContact N-OD2 3.47Å; T169-D171 VanDerWaalsContact C-N 3.28Å; T169-D171 WeakPolarHBondContact CB-OD1 3.31Å; T169-D171 PolarHBondContact O-N 3.1Å; T169-D171 PolarHBondContact OG1-OD1 3.25Å; D171-C173 VanDerWaalsContact C-N 3.3Å; D171-C173 PolarHBondContact O-N 2.95Å
172	N	89.5	Confident	89.6	Confident	16 Å²	16	18.7 Å²	18.7	9%	0.086	10%	0.1	C	C	.	.			trans	64.8	27.7	172.5	-47.9	-66.9	0	0	0	114.4	K148 T169 L170 T192 T230 P231	K148-N172 PolarHBondContact NZ-OD1 3.31Å; K148-N172 VanDerWaalsContact NZ-OD1 3.14Å; T169-N172 PolarHBondContact O-N 2.98Å; L170-N172 PolarHBondContact O-N 2.87Å; N172-T192 PolarHBondContact O-OG1 2.9Å; N172-T230 HydrophobicContact CB-CG2 3.91Å; N172-T230 VanDerWaalsContact CG-CG2 3.47Å; N172-P231 HydrophobicContact CB-CG 4.24Å; N172-P231 WeakPolarHBondContact O-CD 3.5Å; N172-P231 WeakPolarHBondContact O-CG 3.37Å
173	C	92.2	Very high	88.9	Confident	8 Å²	8	24.8 Å²	24.8	5%	0.054	13%	0.132	C	C	.	.			trans	-88.1	119.7	170.5	-171.5	0	0	0	0	110.7	H102 T169 D171	H102-C173 HydrophobicContact CB-CB 3.98Å; T169-C173 PolarHBondContact N-O 3.23Å; T169-C173 VanDerWaalsContact N-O 3.13Å; T169-C173 WeakPolarHBondContact OG1-CA 3.35Å; T169-C173 VanDerWaalsContact OG1-CB 3.23Å; T169-C173 WeakPolarHBondContact OG1-CB 3.44Å; T169-C173 PolarHBondContact OG1-N 3.06Å; T169-C173 PolarHBondContact OG1-O 2.85Å; D171-C173 VanDerWaalsContact C-N 3.3Å; D171-C173 PolarHBondContact O-N 2.95Å
174	L	95.5	Very high	88.5	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.5	178	178.1	63	0	0	0	110.3	A166 C167 L168 N190 L191 T192 P231 M234 V261	A166-L174 HydrophobicContact CB-CD1 4.49Å; C167-L174 WeakPolarHBondContact O-CA 3.48Å; L168-L174 HydrophobicContact CB-CD1 4.36Å; L168-L174 HydrophobicContact CD1-CB 4.32Å; L174-N190 PolarHBondContact O-OD1 3.2Å; L174-L191 HydrophobicContact CD2-CB 4.13Å; L174-L191 HydrophobicContact CD2-CD1 3.89Å; L174-L191 HydrophobicContact CG-CB 4.24Å; L174-L191 HydrophobicContact CG-CD1 4.18Å; L174-L191 PolarHBondContact O-N 3.36Å; L174-T192 PolarHBondContact N-OG1 3.38Å; L174-P231 HydrophobicContact CB-CG 4.31Å; L174-M234 HydrophobicContact CD1-CE 4.2Å; L174-M234 HydrophobicContact CD1-CG 4.07Å; L174-M234 HydrophobicContact CD1-SD 3.89Å; L174-V261 HydrophobicContact CD2-CB 4.3Å; L174-V261 HydrophobicContact CD2-CG1 3.81Å; L174-V261 HydrophobicContact CD2-CG2 3.44Å; L174-V261 VanDerWaalsContact CD2-CG2 3.44Å
175	T	95.4	Very high	88.4	Confident	16 Å²	16	33 Å²	33	10%	0.098	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151	-177.8	53.1	0	0	0	0	111.3	A166 C167 H177 L187 V189 N190	A166-T175 CarbonylContact C-O 3.53Å; A166-T175 WeakPolarHBondContact CA-O 3.4Å; C167-T175 PolarHBondContact N-O 2.9Å; C167-T175 PolarHBondContact O-N 3.34Å; T175-H177 WeakPolarHBondContact CB-NE2 3.21Å; T175-H177 PolarHBondContact OG1-NE2 2.94Å; T175-L187 HydrophobicContact CG2-CD1 3.81Å; T175-V189 WeakPolarHBondContact CA-O 3.34Å; T175-N190 HydrophobicContact CG2-CB 4.37Å
176	V	95.9	Very high	88.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.8	175	-178	0	0	0	0	109.5	L164 L165 A166 L188 V189 L191 W236 L259 F273	L164-V176 HydrophobicContact CB-CG1 4.16Å; L164-V176 HydrophobicContact CD1-CG1 4.47Å; L165-V176 WeakPolarHBondContact O-CA 3.14Å; A166-V176 HydrophobicContact CB-CG2 4.41Å; V176-L188 PolarHBondContact O-N 2.81Å; V176-V189 HydrophobicContact CB-CG1 3.76Å; V176-V189 HydrophobicContact CG2-CG1 3.99Å; V176-V189 PolarHBondContact N-O 3.41Å; V176-V189 PolarHBondContact O-N 2.64Å; V176-L191 HydrophobicContact CG2-CD1 3.97Å; V176-L191 HydrophobicContact CG2-CG 4.44Å; V176-W236 HydrophobicContact CG1-CH2 4.31Å; V176-W236 HydrophobicContact CG1-CZ2 4.34Å; V176-W236 HydrophobicContact CG2-CH2 4.48Å; V176-W236 HydrophobicContact CG2-CZ2 4.47Å; V176-L259 HydrophobicContact CG2-CD2 4.34Å; V176-F273 HydrophobicContact CG1-CE1 4.4Å; V176-F273 HydrophobicContact CG2-CE1 4.37Å; V176-F273 HydrophobicContact CG2-CZ 4.07Å
177	H	94.3	Very high	87.9	Confident	16 Å²	16	39.7 Å²	39.7	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.8	-175	-59	-100.8	0	0	0	111.4	I95 L165 T175 W185 K186	I95-H177 HydrophobicContact CD1-CB 3.89Å; L165-H177 PolarHBondContact N-O 3.48Å; L165-H177 PolarHBondContact O-N 3.38Å; T175-H177 WeakPolarHBondContact CB-NE2 3.21Å; T175-H177 PolarHBondContact OG1-NE2 2.94Å; H177-W185 HydrophobicContact CB-CE3 3.94Å; H177-K186 VanDerWaalsContact CA-O 3.3Å; H177-K186 WeakPolarHBondContact CA-O 3.39Å
178	S	91.4	Very high	87.8	Confident	12 Å²	12	40.2 Å²	40.2	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.4	166.7	58.7	0	0	0	0	110.2	W185 K186 L188	S178-W185 CarbonylContact O-C 3.54Å; S178-W185 WeakPolarHBondContact O-CA 3.46Å; S178-K186 PolarHBondContact N-O 2.65Å; S178-K186 PolarHBondContact O-N 2.85Å; S178-L188 WeakPolarHBondContact OG-CD2 3.34Å
179	S	86.4	Confident	87.7	Confident	8 Å²	8	41 Å²	41	6%	0.056	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.8	175.6	164.8	0	0	0	0	109.8	R162 E184	R162-S179 PolarHBondContact NH2-O 2.91Å; R162-S179 PolarHBondContact NH2-OG 2.84Å; S179-E184 CarbonylContact C-O 3.5Å; S179-E184 WeakPolarHBondContact CA-O 3.46Å
180	R	75.2	Confident	87.7	Confident	151 Å²	151	42.2 Å²	42.2	57%	0.57	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.1	170.5	-88.2	-173.3	168.4	-176.2	-4	109.6	H182 L183 E184 K186	R180-H182 PolarHBondContact O-N 2.66Å; R180-H182 VanDerWaalsContact O-N 3.07Å; R180-L183 PolarHBondContact O-N 3.46Å; R180-E184 PolarHBondContact N-O 3.3Å; R180-E184 PolarHBondContact O-N 3.18Å; R180-E184 VanDerWaalsContact O-N 3.16Å; R180-K186 HydrophobicContact CG-CB 4.43Å
181	G	65.8	Low	88	Confident	48 Å²	48	40 Å²	40	50%	0.495	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	31	169.7	0	0	0	0	0	115.3	L183	G181-L183 PolarHBondContact O-N 3.27Å
182	H	68.7	Low	88.3	Confident	38 Å²	38	39.4 Å²	39.4	18%	0.176	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-22.8	-178.1	-58.8	-80.7	0	0	0	117.8	E76 T93 R180 L736 I769	E76-H182 IonicContact OE1-ND1 3.58Å; E76-H182 IonicContact OE2-ND1 3.41Å; T93-H182 WeakPolarHBondContact CG2-O 3.24Å; R180-H182 PolarHBondContact O-N 2.66Å; R180-H182 VanDerWaalsContact O-N 3.07Å; H182-L736 WeakPolarHBondContact CE1-CD1 3.41Å; H182-L736 WeakPolarHBondContact ND1-CD1 3.38Å; H182-I769 WeakPolarHBondContact CE1-CD1 3.32Å; H182-I769 VanDerWaalsContact NE2-CD1 3.32Å; H182-I769 WeakPolarHBondContact NE2-CD1 3.43Å
183	L	73.9	Confident	88.4	Confident	131 Å²	131	42.6 Å²	42.6	69%	0.686	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-21.1	-170.5	-62.8	174.4	0	0	0	112.9	R180 G181	R180-L183 PolarHBondContact O-N 3.46Å; G181-L183 PolarHBondContact O-N 3.27Å
184	E	84.8	Confident	88.5	Confident	136 Å²	136	44.5 Å²	44.5	64%	0.636	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.8	-171.6	-64.6	-177.6	180	0	0	112	S179 R180	S179-E184 CarbonylContact C-O 3.5Å; S179-E184 WeakPolarHBondContact CA-O 3.46Å; R180-E184 PolarHBondContact N-O 3.3Å; R180-E184 PolarHBondContact O-N 3.18Å; R180-E184 VanDerWaalsContact O-N 3.16Å
185	W	91.2	Very high	88.4	Confident	38 Å²	38	44.8 Å²	44.8	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.3	176	-70.5	93.3	0	0	0	109.3	V74 T93 I95 W152 L165 H177 S178	V74-W185 HydrophobicContact CB-CZ2 4.01Å; V74-W185 HydrophobicContact CG1-CZ2 3.86Å; V74-W185 HydrophobicContact CG2-CZ2 3.85Å; T93-W185 PolarHBondContact OG1-NE1 2.84Å; I95-W185 HydrophobicContact CD1-CB 4.1Å; I95-W185 HydrophobicContact CD1-CD2 3.73Å; I95-W185 HydrophobicContact CD1-CE3 3.84Å; I95-W185 HydrophobicContact CD1-CG 3.84Å; I95-W185 HydrophobicContact CG1-CB 3.74Å; I95-W185 HydrophobicContact CG1-CD2 3.86Å; I95-W185 HydrophobicContact CG1-CE3 4.47Å; I95-W185 HydrophobicContact CG1-CG 3.49Å; I95-W185 VanDerWaalsContact CG1-CG 3.49Å; W152-W185 AromaticContact CH2-CH2 3.78Å; W152-W185 HydrophobicContact CH2-CH2 3.78Å; W152-W185 HydrophobicContact CH2-CZ2 4.46Å; W152-W185 AromaticContact CZ3-CH2 3.95Å; W152-W185 HydrophobicContact CZ3-CH2 3.95Å; L165-W185 HydrophobicContact CB-CH2 4.36Å; L165-W185 HydrophobicContact CB-CZ3 3.88Å; L165-W185 HydrophobicContact CD2-CE3 4.5Å; L165-W185 HydrophobicContact CD2-CH2 3.84Å; L165-W185 HydrophobicContact CD2-CZ2 4.39Å; L165-W185 HydrophobicContact CD2-CZ3 3.89Å; H177-W185 HydrophobicContact CB-CE3 3.94Å; S178-W185 CarbonylContact O-C 3.54Å; S178-W185 WeakPolarHBondContact O-CA 3.46Å
186	K	91.4	Very high	88.3	Confident	49 Å²	49	44 Å²	44	21%	0.213	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.1	173.2	-176.7	-171.4	169	-159.9	0	108.5	H177 S178 R180 L188 D279	H177-K186 VanDerWaalsContact CA-O 3.3Å; H177-K186 WeakPolarHBondContact CA-O 3.39Å; S178-K186 PolarHBondContact N-O 2.65Å; S178-K186 PolarHBondContact O-N 2.85Å; R180-K186 HydrophobicContact CG-CB 4.43Å; K186-L188 HydrophobicContact CD-CD2 3.81Å; K186-L188 HydrophobicContact CG-CD2 4.15Å; K186-L188 PolarHBondContact O-N 3Å; K186-D279 VanDerWaalsContact NZ-CG 3.34Å; K186-D279 IonicContact NZ-OD1 2.84Å; K186-D279 PolarHBondContact NZ-OD1 3.06Å; K186-D279 IonicContact NZ-OD2 2.78Å; K186-D279 PolarHBondContact NZ-OD2 3.35Å
187	L	93.1	Very high	88.1	Confident	90 Å²	90	47.1 Å²	47.1	47%	0.471	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	121	164	174.7	65.2	0	0	0	108.8	T175	T175-L187 HydrophobicContact CG2-CD1 3.81Å
188	L	92.7	Very high	88	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.063	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-43.1	178.7	-63.8	-175.2	0	0	0	112.2	L164 V176 S178 K186 F277 G280	L164-L188 HydrophobicContact CD2-CD1 3.88Å; V176-L188 PolarHBondContact O-N 2.81Å; S178-L188 WeakPolarHBondContact OG-CD2 3.34Å; K186-L188 HydrophobicContact CD-CD2 3.81Å; K186-L188 HydrophobicContact CG-CD2 4.15Å; K186-L188 PolarHBondContact O-N 3Å; L188-F277 HydrophobicContact CB-CE1 3.74Å; L188-F277 HydrophobicContact CB-CZ 4.36Å; L188-F277 HydrophobicContact CD1-CD1 3.5Å; L188-F277 HydrophobicContact CD1-CE1 3.39Å; L188-F277 HydrophobicContact CG-CE1 4.21Å; L188-G280 VanDerWaalsContact O-CA 3.32Å; L188-G280 WeakPolarHBondContact O-CA 3.29Å
189	V	93.9	Very high	88.1	Confident	15 Å²	15	50.1 Å²	50.1	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	144.7	-179.2	63.3	0	0	0	0	111.8	T175 V176 L191 F273 V283	T175-V189 WeakPolarHBondContact CA-O 3.34Å; V176-V189 HydrophobicContact CB-CG1 3.76Å; V176-V189 HydrophobicContact CG2-CG1 3.99Å; V176-V189 PolarHBondContact N-O 3.41Å; V176-V189 PolarHBondContact O-N 2.64Å; V189-L191 HydrophobicContact CG1-CD2 3.95Å; V189-L191 HydrophobicContact CG1-CG 4.21Å; V189-L191 HydrophobicContact CG2-CD2 3.91Å; V189-F273 HydrophobicContact CG1-CE1 4.17Å; V189-F273 HydrophobicContact CG1-CZ 4.45Å; V189-V283 HydrophobicContact CB-CG2 4.37Å; V189-V283 HydrophobicContact CG1-CG2 4.08Å; V189-V283 HydrophobicContact CG2-CG2 4.45Å
190	N	94	Very high	88.3	Confident	30 Å²	30	55.6 Å²	55.6	16%	0.16	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	106.1	165.5	-174.8	-23.7	0	0	0	109.1	L174 T175 T192 E193 S194	L174-N190 PolarHBondContact O-OD1 3.2Å; T175-N190 HydrophobicContact CG2-CB 4.37Å; N190-T192 PolarHBondContact OD1-N 2.89Å; N190-T192 VanDerWaalsContact OD1-N 3.13Å; N190-E193 HydrophobicContact CB-CB 4.18Å; N190-E193 PolarHBondContact OD1-N 3.48Å; N190-S194 WeakPolarHBondContact O-CB 3.48Å; N190-S194 PolarHBondContact O-N 3.22Å; N190-S194 PolarHBondContact O-OG 2.86Å
191	L	95.1	Very high	89	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-77.8	-31.1	-176.2	-64.2	178.1	0	0	0	112.1	L174 V176 V189 E193 S194 Y195 L259 W271 F273 V283	L174-L191 HydrophobicContact CD2-CB 4.13Å; L174-L191 HydrophobicContact CD2-CD1 3.89Å; L174-L191 HydrophobicContact CG-CB 4.24Å; L174-L191 HydrophobicContact CG-CD1 4.18Å; L174-L191 PolarHBondContact O-N 3.36Å; V176-L191 HydrophobicContact CG2-CD1 3.97Å; V176-L191 HydrophobicContact CG2-CG 4.44Å; V189-L191 HydrophobicContact CG1-CD2 3.95Å; V189-L191 HydrophobicContact CG1-CG 4.21Å; V189-L191 HydrophobicContact CG2-CD2 3.91Å; L191-E193 VanDerWaalsContact C-N 3.35Å; L191-S194 PolarHBondContact O-N 2.77Å; L191-Y195 VanDerWaalsContact O-CB 3.31Å; L191-Y195 WeakPolarHBondContact O-CB 3.38Å; L191-Y195 PolarHBondContact O-N 2.78Å; L191-L259 HydrophobicContact CD1-CD2 3.5Å; L191-W271 HydrophobicContact CD1-CG 4.34Å; L191-W271 HydrophobicContact CD2-CD2 3.83Å; L191-W271 HydrophobicContact CD2-CE3 4.06Å; L191-W271 HydrophobicContact CD2-CG 4.12Å; L191-W271 HydrophobicContact CD2-CZ3 4.48Å; L191-F273 HydrophobicContact CD1-CZ 4.29Å; L191-F273 HydrophobicContact CD2-CZ 4.38Å; L191-V283 HydrophobicContact CD2-CG1 3.89Å
192	T	93.8	Very high	90.1	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-44.8	176.1	-59.9	0	0	0	0	110.5	H102 L104 N172 L174 N190 Y195 G196	H102-T192 WeakPolarHBondContact NE2-CG2 3.36Å; L104-T192 HydrophobicContact CD2-CG2 3.7Å; N172-T192 PolarHBondContact O-OG1 2.9Å; L174-T192 PolarHBondContact N-OG1 3.38Å; N190-T192 PolarHBondContact OD1-N 2.89Å; N190-T192 VanDerWaalsContact OD1-N 3.13Å; T192-Y195 PolarHBondContact O-N 3.42Å; T192-G196 PolarHBondContact O-N 3.1Å
193	E	92.3	Very high	91	Very high	82 Å²	82	56.8 Å²	56.8	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-46.9	176.5	179.9	164.4	-145.5	0	0	112.1	R105 N190 L191 Y195 G196 E197	R105-E193 IonicContact CZ-OE1 2.94Å; R105-E193 IonicContact NH2-OE1 3.46Å; R105-E193 PolarHBondContact NH2-OE1 3.29Å; N190-E193 HydrophobicContact CB-CB 4.18Å; N190-E193 PolarHBondContact OD1-N 3.48Å; L191-E193 VanDerWaalsContact C-N 3.35Å; E193-Y195 VanDerWaalsContact C-N 3.27Å; E193-Y195 PolarHBondContact O-N 3.02Å; E193-G196 PolarHBondContact O-N 3.39Å; E193-E197 PolarHBondContact O-N 2.94Å
194	S	93.1	Very high	91.7	Very high	48 Å²	48	51.1 Å²	51.1	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-39.2	178.1	-58.2	0	0	0	0	111.9	N190 L191 R198	N190-S194 WeakPolarHBondContact O-CB 3.48Å; N190-S194 PolarHBondContact O-N 3.22Å; N190-S194 PolarHBondContact O-OG 2.86Å; L191-S194 PolarHBondContact O-N 2.77Å; S194-R198 PolarHBondContact O-N 2.84Å
195	Y	94.3	Very high	91.8	Very high	9 Å²	9	45 Å²	45	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-71.3	-41.7	176.2	-163.1	-124.2	0	0	0	112.6	L191 T192 E193 E197 R198 L199 M228 M263 V269 W271 F285	L191-Y195 VanDerWaalsContact O-CB 3.31Å; L191-Y195 WeakPolarHBondContact O-CB 3.38Å; L191-Y195 PolarHBondContact O-N 2.78Å; T192-Y195 PolarHBondContact O-N 3.42Å; E193-Y195 VanDerWaalsContact C-N 3.27Å; E193-Y195 PolarHBondContact O-N 3.02Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.48Å; Y195-R198 WeakPolarHBondContact O-CB 3.27Å; Y195-R198 PolarHBondContact O-N 3.27Å; Y195-R198 VanDerWaalsContact O-N 3.15Å; Y195-L199 HydrophobicContact CD1-CD1 3.73Å; Y195-L199 HydrophobicContact CD1-CG 4.19Å; Y195-L199 HydrophobicContact CE1-CD1 3.48Å; Y195-L199 VanDerWaalsContact CE1-CD1 3.48Å; Y195-L199 HydrophobicContact CE1-CD2 4.22Å; Y195-L199 HydrophobicContact CE1-CG 3.89Å; Y195-L199 HydrophobicContact CE2-CG 4.47Å; Y195-L199 PolarHBondContact O-N 3.18Å; Y195-M228 WeakPolarHBondContact CE1-O 3.37Å; Y195-M263 HydrophobicContact CD1-CE 3.82Å; Y195-M263 HydrophobicContact CE1-CE 3.85Å; Y195-V269 HydrophobicContact CD2-CG1 3.9Å; Y195-V269 HydrophobicContact CD2-CG2 4.42Å; Y195-V269 HydrophobicContact CE1-CG2 3.9Å; Y195-V269 HydrophobicContact CE2-CB 4.44Å; Y195-V269 HydrophobicContact CE2-CG1 3.75Å; Y195-V269 HydrophobicContact CE2-CG2 3.76Å; Y195-V269 VanDerWaalsContact CZ-CG2 3.46Å; Y195-W271 HydrophobicContact CD2-CZ2 4Å; Y195-W271 HydrophobicContact CG-CZ2 4.33Å; Y195-F285 HydrophobicContact CE2-CE2 4.16Å
196	G	93	Very high	91.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-42.1	176.7	0	0	0	0	0	112.1	T192 E193 L199 K200	T192-G196 PolarHBondContact O-N 3.1Å; E193-G196 PolarHBondContact O-N 3.39Å; G196-L199 PolarHBondContact O-N 3.02Å; G196-K200 WeakPolarHBondContact O-CB 3.32Å; G196-K200 PolarHBondContact O-N 2.81Å
197	E	92.6	Very high	90.7	Very high	65 Å²	65	51 Å²	51	30%	0.304	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-40.8	174.8	-70.1	-70.8	-148.7	0	0	112.7	R105 E193 Y195 L199 K200 Q201	R105-E197 IonicContact CZ-OE1 3.6Å; R105-E197 IonicContact NH1-OE1 3.86Å; R105-E197 PolarHBondContact NH1-OE1 2.86Å; R105-E197 IonicContact NH1-OE2 3.22Å; R105-E197 PolarHBondContact NH1-OE2 3.46Å; R105-E197 VanDerWaalsContact NH1-OE2 3.14Å; R105-E197 IonicContact NH2-OE1 2.67Å; E193-E197 PolarHBondContact O-N 2.94Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.48Å; E197-L199 PolarHBondContact O-N 3.4Å; E197-K200 PolarHBondContact O-N 2.83Å; E197-Q201 VanDerWaalsContact O-CG 3.29Å; E197-Q201 WeakPolarHBondContact O-CG 3.4Å; E197-Q201 PolarHBondContact O-N 3.17Å
198	R	92.2	Very high	90.2	Very high	87 Å²	87	51 Å²	51	33%	0.328	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-43.6	175.3	-174.9	-177.5	-177.6	86.2	4.2	111.8	S194 Y195 Q201 R202	S194-R198 PolarHBondContact O-N 2.84Å; Y195-R198 WeakPolarHBondContact O-CB 3.27Å; Y195-R198 PolarHBondContact O-N 3.27Å; Y195-R198 VanDerWaalsContact O-N 3.15Å; R198-Q201 PolarHBondContact O-N 3.05Å; R198-R202 WeakPolarHBondContact O-CG 3.3Å; R198-R202 PolarHBondContact O-N 2.81Å
199	L	92	Very high	89.6	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-41.2	178.1	-74.5	175.3	0	0	0	111.6	Y195 G196 E197 R202 G203 Y204 M228 Q229	Y195-L199 HydrophobicContact CD1-CD1 3.73Å; Y195-L199 HydrophobicContact CD1-CG 4.19Å; Y195-L199 HydrophobicContact CE1-CD1 3.48Å; Y195-L199 VanDerWaalsContact CE1-CD1 3.48Å; Y195-L199 HydrophobicContact CE1-CD2 4.22Å; Y195-L199 HydrophobicContact CE1-CG 3.89Å; Y195-L199 HydrophobicContact CE2-CG 4.47Å; Y195-L199 PolarHBondContact O-N 3.18Å; G196-L199 PolarHBondContact O-N 3.02Å; E197-L199 PolarHBondContact O-N 3.4Å; L199-R202 CarbonylContact O-C 3.53Å; L199-R202 PolarHBondContact O-N 2.79Å; L199-G203 PolarHBondContact O-N 3.04Å; L199-G203 VanDerWaalsContact O-N 3.09Å; L199-Y204 HydrophobicContact CB-CD1 3.92Å; L199-Y204 HydrophobicContact CB-CE1 3.95Å; L199-Y204 PolarHBondContact O-N 2.68Å; L199-M228 HydrophobicContact CD1-CB 4.32Å; L199-Q229 HydrophobicContact CD1-CG 3.35Å
200	K	91	Very high	89.1	Confident	124 Å²	124	59.8 Å²	59.8	54%	0.539	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-46.7	173.9	-177.1	-175	176.1	-172.8	0	111.7	G196 E197 R202 G203	G196-K200 WeakPolarHBondContact O-CB 3.32Å; G196-K200 PolarHBondContact O-N 2.81Å; E197-K200 PolarHBondContact O-N 2.83Å; K200-R202 PolarHBondContact O-N 3.34Å; K200-G203 PolarHBondContact O-N 3.03Å
201	Q	90.6	Very high	88.4	Confident	163 Å²	163	63.1 Å²	63.1	76%	0.762	32%	0.318	S	S	*	.	H	α-helix	trans	-60.6	-32.8	176.4	-72.9	172	3.2	0	0	112.6	E197 R198 G203	E197-Q201 VanDerWaalsContact O-CG 3.29Å; E197-Q201 WeakPolarHBondContact O-CG 3.4Å; E197-Q201 PolarHBondContact O-N 3.17Å; R198-Q201 PolarHBondContact O-N 3.05Å; Q201-G203 VanDerWaalsContact C-N 3.31Å
202	R	89.4	Confident	87.9	Confident	63 Å²	63	65 Å²	65	24%	0.238	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.7	175.7	-67.6	-177.3	73	-148.6	-2.3	113.9	R198 L199 K200 Y204 A205 K206 N209	R198-R202 WeakPolarHBondContact O-CG 3.3Å; R198-R202 PolarHBondContact O-N 2.81Å; L199-R202 CarbonylContact O-C 3.53Å; L199-R202 PolarHBondContact O-N 2.79Å; K200-R202 PolarHBondContact O-N 3.34Å; R202-Y204 PolarHBondContact O-N 2.84Å; R202-A205 WeakPolarHBondContact O-CB 3.4Å; R202-A205 PolarHBondContact O-N 2.91Å; R202-K206 PolarHBondContact NH2-O 3.24Å; R202-N209 PolarHBondContact NH2-OD1 2.96Å
203	G	87.6	Confident	87.2	Confident	36 Å²	36	74.4 Å²	74.4	37%	0.371	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	30.2	-175.8	0	0	0	0	0	113.5	L199 K200 Q201 A205 P212	L199-G203 PolarHBondContact O-N 3.04Å; L199-G203 VanDerWaalsContact O-N 3.09Å; K200-G203 PolarHBondContact O-N 3.03Å; Q201-G203 VanDerWaalsContact C-N 3.31Å; G203-A205 PolarHBondContact O-N 2.83Å; G203-P212 WeakPolarHBondContact O-CD 3.38Å
204	Y	88.4	Confident	86.8	Confident	12 Å²	12	72 Å²	72	5%	0.047	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	25.4	-178.3	-52.8	-88	0	0	0	114.7	R105 G107 L199 R202 R224 R225 M228	R105-Y204 WeakPolarHBondContact O-CE1 3.44Å; R105-Y204 PolarHBondContact O-OH 3.18Å; G107-Y204 PolarHBondContact N-OH 3.39Å; L199-Y204 HydrophobicContact CB-CD1 3.92Å; L199-Y204 HydrophobicContact CB-CE1 3.95Å; L199-Y204 PolarHBondContact O-N 2.68Å; R202-Y204 PolarHBondContact O-N 2.84Å; Y204-R224 PolarHBondContact O-NH1 3.41Å; Y204-R224 PolarHBondContact O-NH2 2.86Å; Y204-R225 HydrophobicContact CD1-CG 4.18Å; Y204-R225 HydrophobicContact CG-CG 4.22Å; Y204-M228 HydrophobicContact CD1-CE 4.25Å
205	A	86.1	Confident	86.5	Confident	8 Å²	8	74 Å²	74	7%	0.066	38%	0.375	C	S	.	.			trans	-67.2	150.2	173.1	0	0	0	0	0	112.3	R202 G203 N210	R202-A205 WeakPolarHBondContact O-CB 3.4Å; R202-A205 PolarHBondContact O-N 2.91Å; G203-A205 PolarHBondContact O-N 2.83Å; A205-N210 WeakPolarHBondContact CB-O 3.39Å
206	K	81.3	Confident	86.3	Confident	113 Å²	113	73.6 Å²	73.6	49%	0.491	37%	0.373	S	S	.	.			trans	-72.4	-172.7	172.9	-66.5	-176.4	179.9	179.1	0	110.9	R202 D208 N209	R202-K206 PolarHBondContact NH2-O 3.24Å; K206-D208 WeakPolarHBondContact CB-OD1 3.17Å; K206-D208 PolarHBondContact O-N 2.7Å; K206-N209 PolarHBondContact O-N 2.65Å; K206-N209 VanDerWaalsContact O-N 3.12Å
207	K	79.4	Confident	86.1	Confident	100 Å²	100	75.9 Å²	75.9	44%	0.435	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.6	178.9	-170.2	169.5	-176.6	160.2	0	113	N209 D287 L288 E290	K207-N209 PolarHBondContact O-N 3.36Å; K207-D287 IonicContact NZ-OD1 2.96Å; K207-L288 HydrophobicContact CB-CD2 4.49Å; K207-L288 PolarHBondContact NZ-O 2.89Å; K207-E290 HydrophobicContact CB-CG 4.42Å; K207-E290 WeakPolarHBondContact CB-OE1 3.49Å; K207-E290 PolarHBondContact N-OE1 3.31Å
208	D	81	Confident	86	Confident	90 Å²	90	76.5 Å²	76.5	48%	0.481	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.2	175.8	65.2	-4.9	0	0	0	114.5	K206 N210	K206-D208 WeakPolarHBondContact CB-OD1 3.17Å; K206-D208 PolarHBondContact O-N 2.7Å; D208-N210 VanDerWaalsContact CG-ND2 3.28Å; D208-N210 PolarHBondContact O-N 3.29Å; D208-N210 PolarHBondContact OD1-N 3.48Å; D208-N210 VanDerWaalsContact OD1-N 3.11Å; D208-N210 PolarHBondContact OD2-ND2 2.93Å
209	N	80	Confident	85.8	Confident	112 Å²	112	73.7 Å²	73.7	60%	0.599	38%	0.382	S	S	*	.			trans	59.7	16.9	-175.6	-61.1	-47.3	0	0	0	114.5	R202 K206 K207	R202-N209 PolarHBondContact NH2-OD1 2.96Å; K206-N209 PolarHBondContact O-N 2.65Å; K206-N209 VanDerWaalsContact O-N 3.12Å; K207-N209 PolarHBondContact O-N 3.36Å
210	N	83.4	Confident	85.7	Confident	99 Å²	99	75.4 Å²	75.4	53%	0.529	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-76.6	133.9	173.7	-69.9	-38.6	0	0	0	109.8	A205 D208	A205-N210 WeakPolarHBondContact CB-O 3.39Å; D208-N210 VanDerWaalsContact CG-ND2 3.28Å; D208-N210 PolarHBondContact O-N 3.29Å; D208-N210 PolarHBondContact OD1-N 3.48Å; D208-N210 VanDerWaalsContact OD1-N 3.11Å; D208-N210 PolarHBondContact OD2-ND2 2.93Å
211	P	80.9	Confident	85.8	Confident	100 Å²	100	70.2 Å²	70.2	65%	0.649	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-64.2	150.3	176.9	27.6	-33.7	0	0	0	110.5	Q213	P211-Q213 PolarHBondContact O-N 3.17Å
212	P	83.3	Confident	85.8	Confident	40 Å²	40	62.5 Å²	62.5	26%	0.26	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-59.8	134.5	174.1	25	-31.8	0	0	0	110.1	G203 E221	G203-P212 WeakPolarHBondContact O-CD 3.38Å; P212-E221 WeakPolarHBondContact CB-OE1 3.49Å
213	Q	80.4	Confident	85.9	Confident	207 Å²	207	60.7 Å²	60.7	97%	0.967	34%	0.337	S	S	*	.	S	Bend	trans	-78.1	-25.7	-179.5	-67.9	-179.2	-13.1	0	0	112.6	P211	P211-Q213 PolarHBondContact O-N 3.17Å
214	A	83.3	Confident	86	Confident	33 Å²	33	61.1 Å²	61.1	27%	0.273	33%	0.327	S	S	.	.	S	Bend	trans	-108.1	155.5	-179.7	0	0	0	0	0	111.2	D218 E221	A214-D218 HydrophobicContact CB-CB 3.86Å; A214-D218 WeakPolarHBondContact CB-OD2 3.46Å; A214-E221 HydrophobicContact CB-CB 4.02Å; A214-E221 HydrophobicContact CB-CG 4.48Å
215	D	87.1	Confident	86.2	Confident	88 Å²	88	61.5 Å²	61.5	47%	0.471	33%	0.328	S	S	.	.			trans	-93.3	-177.8	174.7	67.9	12.5	0	0	0	111.5	L217 D218	D215-L217 PolarHBondContact O-N 3.41Å; D215-L217 WeakPolarHBondContact OD1-CA 3.3Å; D215-L217 VanDerWaalsContact OD1-CB 3.29Å; D215-L217 WeakPolarHBondContact OD1-CB 3.47Å; D215-L217 PolarHBondContact OD1-N 2.89Å; D215-D218 PolarHBondContact O-N 3.36Å; D215-D218 PolarHBondContact OD1-N 3.07Å
216	L	89	Confident	86.5	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.8	178.8	-67	-177.7	0	0	0	114	E111 L112 A115 L222	E111-L216 HydrophobicContact CB-CD1 3.89Å; L112-L216 HydrophobicContact CB-CD1 4.44Å; A115-L216 HydrophobicContact CB-CB 4.3Å; A115-L216 WeakPolarHBondContact CB-O 3.18Å; L216-L222 HydrophobicContact CD2-CD1 4.04Å
217	L	89.6	Confident	87	Confident	49 Å²	49	60.8 Å²	60.8	26%	0.257	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.8	176.2	-57.5	174.9	0	0	0	112.1	Q114 A115 K118 F119 D215	Q114-L217 HydrophobicContact CB-CD2 4.46Å; Q114-L217 HydrophobicContact CG-CD2 4.02Å; A115-L217 HydrophobicContact CB-CD2 4.27Å; K118-L217 HydrophobicContact CD-CD2 4.31Å; K118-L217 PolarHBondContact NZ-O 3.4Å; F119-L217 WeakPolarHBondContact CZ-O 3.38Å; D215-L217 PolarHBondContact O-N 3.41Å; D215-L217 WeakPolarHBondContact OD1-CA 3.3Å; D215-L217 VanDerWaalsContact OD1-CB 3.29Å; D215-L217 WeakPolarHBondContact OD1-CB 3.47Å; D215-L217 PolarHBondContact OD1-N 2.89Å
218	D	90.6	Very high	87.6	Confident	79 Å²	79	56.4 Å²	56.4	42%	0.422	30%	0.302	S	S	.	.	S	Bend	trans	-90	123.9	161.4	-176.7	-9	0	0	0	110.2	A214 D215 G220 E221 L222	A214-D218 HydrophobicContact CB-CB 3.86Å; A214-D218 WeakPolarHBondContact CB-OD2 3.46Å; D215-D218 PolarHBondContact O-N 3.36Å; D215-D218 PolarHBondContact OD1-N 3.07Å; D218-G220 VanDerWaalsContact C-N 3.26Å; D218-G220 PolarHBondContact O-N 2.98Å; D218-G220 PolarHBondContact OD1-N 2.99Å; D218-E221 HydrophobicContact CB-CB 4.28Å; D218-E221 PolarHBondContact O-N 3.34Å; D218-L222 PolarHBondContact O-N 3.38Å
219	L	88.5	Confident	88.2	Confident	27 Å²	27	52.3 Å²	52.3	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-36.1	-179.2	-179	62.8	0	0	0	111.5	F119 V127 V130 F131 L222 Q223	F119-L219 HydrophobicContact CD1-CB 4.34Å; F119-L219 HydrophobicContact CD1-CD1 4.38Å; F119-L219 HydrophobicContact CD2-CD1 4.21Å; F119-L219 HydrophobicContact CE1-CB 3.76Å; F119-L219 HydrophobicContact CE2-CB 4.41Å; F119-L219 HydrophobicContact CE2-CD1 4.35Å; F119-L219 HydrophobicContact CG-CD1 4.23Å; F119-L219 HydrophobicContact CZ-CB 3.78Å; F119-L219 HydrophobicContact CZ-CD1 4.48Å; F119-L219 VanDerWaalsContact CZ-N 3.31Å; V127-L219 HydrophobicContact CG1-CD2 3.94Å; V130-L219 HydrophobicContact CG1-CD2 4.49Å; F131-L219 HydrophobicContact CD2-CD1 4.11Å; L219-L222 PolarHBondContact O-N 2.91Å; L219-Q223 HydrophobicContact CD1-CG 4.21Å; L219-Q223 HydrophobicContact CG-CG 4.4Å; L219-Q223 WeakPolarHBondContact O-CB 3.34Å; L219-Q223 WeakPolarHBondContact O-CG 2.97Å; L219-Q223 PolarHBondContact O-N 2.94Å
220	G	89.7	Confident	88.8	Confident	40 Å²	40	47.1 Å²	47.1	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-41.6	-179.3	0	0	0	0	0	112	D218 R224	D218-G220 VanDerWaalsContact C-N 3.26Å; D218-G220 PolarHBondContact O-N 2.98Å; D218-G220 PolarHBondContact OD1-N 2.99Å; G220-R224 VanDerWaalsContact O-CB 3.23Å; G220-R224 WeakPolarHBondContact O-CB 3.47Å; G220-R224 PolarHBondContact O-N 3.46Å
221	E	91.6	Very high	89.4	Confident	15 Å²	15	42.5 Å²	42.5	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-71.8	-39.6	176.1	177.2	60.9	-169.4	0	0	111.7	P212 A214 D218 R224 R225	P212-E221 WeakPolarHBondContact CB-OE1 3.49Å; A214-E221 HydrophobicContact CB-CB 4.02Å; A214-E221 HydrophobicContact CB-CG 4.48Å; D218-E221 HydrophobicContact CB-CB 4.28Å; D218-E221 PolarHBondContact O-N 3.34Å; E221-R224 VanDerWaalsContact CD-NH1 3.29Å; E221-R224 WeakPolarHBondContact O-CB 3.44Å; E221-R224 PolarHBondContact O-N 2.86Å; E221-R224 IonicContact OE1-NH1 2.54Å; E221-R224 PolarHBondContact OE1-NH1 2.85Å; E221-R224 WeakPolarHBondContact OE2-CD 3.47Å; E221-R224 IonicContact OE2-CZ 3.58Å; E221-R224 IonicContact OE2-NH1 2.85Å; E221-R224 PolarHBondContact OE2-NH1 3.34Å; E221-R225 WeakPolarHBondContact O-CG 3.32Å; E221-R225 PolarHBondContact O-N 2.81Å; E221-R225 IonicContact OE1-CZ 3.57Å; E221-R225 IonicContact OE1-NE 2.8Å; E221-R225 PolarHBondContact OE1-NE 3.16Å; E221-R225 IonicContact OE1-NH2 3.34Å; E221-R225 PolarHBondContact OE1-NH2 3.11Å
222	L	91.3	Very high	90	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.5	-54.1	173.7	-176.1	66.5	0	0	0	110.7	L112 A115 F119 F131 L216 D218 L219 R224 R225 F226	L112-L222 HydrophobicContact CD1-CD1 3.86Å; A115-L222 HydrophobicContact CB-CD2 4.39Å; F119-L222 HydrophobicContact CD2-CD2 3.76Å; F119-L222 HydrophobicContact CE2-CD2 3.8Å; F131-L222 HydrophobicContact CD2-CD2 4.43Å; F131-L222 HydrophobicContact CE2-CD2 3.96Å; L216-L222 HydrophobicContact CD2-CD1 4.04Å; D218-L222 PolarHBondContact O-N 3.38Å; L219-L222 PolarHBondContact O-N 2.91Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.5Å; L222-R225 PolarHBondContact O-N 2.81Å; L222-F226 HydrophobicContact CD1-CD2 4.2Å; L222-F226 HydrophobicContact CD1-CE2 3.82Å; L222-F226 HydrophobicContact CG-CD2 4.27Å; L222-F226 HydrophobicContact CG-CE2 4.19Å; L222-F226 WeakPolarHBondContact O-CD2 3.4Å; L222-F226 PolarHBondContact O-N 3.43Å
223	Q	91.3	Very high	90.6	Very high	26 Å²	26	37.6 Å²	37.6	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-42.6	177	-75.9	-178.7	-26.3	0	0	111.8	I137 L219 R225 F226 R227	I137-Q223 HydrophobicContact CD1-CG 3.91Å; L219-Q223 HydrophobicContact CD1-CG 4.21Å; L219-Q223 HydrophobicContact CG-CG 4.4Å; L219-Q223 WeakPolarHBondContact O-CB 3.34Å; L219-Q223 WeakPolarHBondContact O-CG 2.97Å; L219-Q223 PolarHBondContact O-N 2.94Å; Q223-R225 VanDerWaalsContact C-N 3.33Å; Q223-R225 PolarHBondContact O-N 3.13Å; Q223-F226 PolarHBondContact O-N 3.23Å; Q223-R227 WeakPolarHBondContact O-CB 3.32Å; Q223-R227 VanDerWaalsContact O-CG 3.27Å; Q223-R227 WeakPolarHBondContact O-CG 3.23Å; Q223-R227 PolarHBondContact O-N 3.36Å
224	R	91	Very high	91.3	Very high	45 Å²	45	27.8 Å²	27.8	17%	0.17	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-45.1	177.5	179.5	-175.4	156.9	-98.7	-8.9	111.5	Y204 G220 E221 L222 R227 M228	Y204-R224 PolarHBondContact O-NH1 3.41Å; Y204-R224 PolarHBondContact O-NH2 2.86Å; G220-R224 VanDerWaalsContact O-CB 3.23Å; G220-R224 WeakPolarHBondContact O-CB 3.47Å; G220-R224 PolarHBondContact O-N 3.46Å; E221-R224 VanDerWaalsContact CD-NH1 3.29Å; E221-R224 WeakPolarHBondContact O-CB 3.44Å; E221-R224 PolarHBondContact O-N 2.86Å; E221-R224 IonicContact OE1-NH1 2.54Å; E221-R224 PolarHBondContact OE1-NH1 2.85Å; E221-R224 WeakPolarHBondContact OE2-CD 3.47Å; E221-R224 IonicContact OE2-CZ 3.58Å; E221-R224 IonicContact OE2-NH1 2.85Å; E221-R224 PolarHBondContact OE2-NH1 3.34Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.5Å; R224-R227 PolarHBondContact O-N 3.45Å; R224-M228 HydrophobicContact CG-CE 4.16Å; R224-M228 HydrophobicContact CG-CG 4.49Å; R224-M228 HydrophobicContact CG-SD 4.46Å; R224-M228 PolarHBondContact NH2-SD 2.95Å; R224-M228 WeakPolarHBondContact O-CB 3.41Å; R224-M228 VanDerWaalsContact O-CG 3.29Å; R224-M228 WeakPolarHBondContact O-CG 3.19Å; R224-M228 PolarHBondContact O-N 3.42Å
225	R	91.7	Very high	92	Very high	20 Å²	20	27.5 Å²	27.5	8%	0.075	14%	0.141	C	C	.	.	H	α-helix	trans	-68.2	-33.1	-179.2	-68.2	-167.6	-167.3	-179.6	5.9	114.1	V106 Y204 E221 L222 Q223 M228 Q229	V106-R225 HydrophobicContact CB-CB 4Å; V106-R225 HydrophobicContact CG1-CB 4.13Å; V106-R225 WeakPolarHBondContact O-CD 3.25Å; V106-R225 PolarHBondContact O-NH1 3.31Å; V106-R225 VanDerWaalsContact O-NH1 3.07Å; Y204-R225 HydrophobicContact CD1-CG 4.18Å; Y204-R225 HydrophobicContact CG-CG 4.22Å; E221-R225 WeakPolarHBondContact O-CG 3.32Å; E221-R225 PolarHBondContact O-N 2.81Å; E221-R225 IonicContact OE1-CZ 3.57Å; E221-R225 IonicContact OE1-NE 2.8Å; E221-R225 PolarHBondContact OE1-NE 3.16Å; E221-R225 IonicContact OE1-NH2 3.34Å; E221-R225 PolarHBondContact OE1-NH2 3.11Å; L222-R225 PolarHBondContact O-N 2.81Å; Q223-R225 VanDerWaalsContact C-N 3.33Å; Q223-R225 PolarHBondContact O-N 3.13Å; R225-M228 HydrophobicContact CB-CE 4.16Å; R225-M228 HydrophobicContact CG-CE 3.73Å; R225-Q229 PolarHBondContact O-NE2 3.08Å; R225-Q229 VanDerWaalsContact O-NE2 3.14Å
226	F	92.4	Very high	92.4	Very high	14 Å²	14	24 Å²	24	6%	0.061	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-54	169.9	-84	-78.8	0	0	0	110.9	L104 V106 L112 V136 I137 L222 Q223 M228 Q229 T230	L104-F226 HydrophobicContact CB-CD1 4.2Å; L104-F226 HydrophobicContact CB-CE1 4.16Å; L104-F226 HydrophobicContact CD1-CD1 3.92Å; V106-F226 HydrophobicContact CB-CD2 4.42Å; V106-F226 HydrophobicContact CB-CE2 4.25Å; V106-F226 HydrophobicContact CB-CZ 4.47Å; V106-F226 HydrophobicContact CG1-CB 4.49Å; V106-F226 HydrophobicContact CG1-CD1 3.77Å; V106-F226 HydrophobicContact CG1-CD2 3.78Å; V106-F226 HydrophobicContact CG1-CE1 3.87Å; V106-F226 HydrophobicContact CG1-CE2 3.88Å; V106-F226 HydrophobicContact CG1-CG 3.75Å; V106-F226 HydrophobicContact CG1-CZ 3.93Å; V106-F226 HydrophobicContact CG2-CD2 4.36Å; V106-F226 HydrophobicContact CG2-CE1 4.46Å; V106-F226 HydrophobicContact CG2-CE2 3.7Å; V106-F226 HydrophobicContact CG2-CZ 3.77Å; L112-F226 HydrophobicContact CD1-CE2 4.28Å; L112-F226 HydrophobicContact CD1-CZ 4.4Å; V136-F226 HydrophobicContact CG1-CB 4.12Å; V136-F226 HydrophobicContact CG1-CD1 3.8Å; V136-F226 HydrophobicContact CG1-CG 4.36Å; I137-F226 HydrophobicContact CB-CD2 4.49Å; I137-F226 HydrophobicContact CB-CE2 4.32Å; I137-F226 HydrophobicContact CB-CZ 4.47Å; I137-F226 HydrophobicContact CD1-CD2 4.11Å; I137-F226 HydrophobicContact CG1-CB 4.31Å; I137-F226 HydrophobicContact CG1-CD1 4.34Å; I137-F226 HydrophobicContact CG1-CD2 3.56Å; I137-F226 HydrophobicContact CG1-CE2 3.84Å; I137-F226 HydrophobicContact CG1-CG 3.82Å; I137-F226 HydrophobicContact CG1-CZ 4.35Å; I137-F226 HydrophobicContact CG2-CE2 4.04Å; I137-F226 HydrophobicContact CG2-CZ 4.28Å; L222-F226 HydrophobicContact CD1-CD2 4.2Å; L222-F226 HydrophobicContact CD1-CE2 3.82Å; L222-F226 HydrophobicContact CG-CD2 4.27Å; L222-F226 HydrophobicContact CG-CE2 4.19Å; L222-F226 WeakPolarHBondContact O-CD2 3.4Å; L222-F226 PolarHBondContact O-N 3.43Å; Q223-F226 PolarHBondContact O-N 3.23Å; F226-M228 PolarHBondContact O-N 3.19Å; F226-Q229 CarbonylContact O-C 3.48Å; F226-Q229 WeakPolarHBondContact O-CA 3.44Å; F226-Q229 PolarHBondContact O-N 2.92Å; F226-T230 PolarHBondContact O-N 2.99Å; F226-T230 VanDerWaalsContact O-N 3.11Å; F226-T230 PolarHBondContact O-OG1 3.3Å
227	R	92.1	Very high	92.7	Very high	92 Å²	92	24.2 Å²	24.2	35%	0.347	12%	0.123	S	C	.	.	H	α-helix	trans	-59.6	-31.3	-179.6	-68.2	-177.7	179.6	153.5	9.4	114	Q223 R224 Q229 E264 N265	Q223-R227 WeakPolarHBondContact O-CB 3.32Å; Q223-R227 VanDerWaalsContact O-CG 3.27Å; Q223-R227 WeakPolarHBondContact O-CG 3.23Å; Q223-R227 PolarHBondContact O-N 3.36Å; R224-R227 PolarHBondContact O-N 3.45Å; R227-Q229 PolarHBondContact O-N 3.49Å; R227-E264 HydrophobicContact CB-CB 4.17Å; R227-E264 HydrophobicContact CB-CG 4.48Å; R227-E264 HydrophobicContact CG-CB 4.33Å; R227-E264 HydrophobicContact CG-CG 4.12Å; R227-E264 IonicContact NE-OE1 3.2Å; R227-E264 PolarHBondContact O-N 3.25Å; R227-N265 HydrophobicContact CB-CB 3.99Å; R227-N265 PolarHBondContact O-N 2.82Å
228	M	91.9	Very high	92.9	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.034	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.4	172	-83.2	-170.7	-59.6	0	0	113.1	Y195 L199 Y204 R224 R225 F226 M263 N265	Y195-M228 WeakPolarHBondContact CE1-O 3.37Å; L199-M228 HydrophobicContact CD1-CB 4.32Å; Y204-M228 HydrophobicContact CD1-CE 4.25Å; R224-M228 HydrophobicContact CG-CE 4.16Å; R224-M228 HydrophobicContact CG-CG 4.49Å; R224-M228 HydrophobicContact CG-SD 4.46Å; R224-M228 PolarHBondContact NH2-SD 2.95Å; R224-M228 WeakPolarHBondContact O-CB 3.41Å; R224-M228 VanDerWaalsContact O-CG 3.29Å; R224-M228 WeakPolarHBondContact O-CG 3.19Å; R224-M228 PolarHBondContact O-N 3.42Å; R225-M228 HydrophobicContact CB-CE 4.16Å; R225-M228 HydrophobicContact CG-CE 3.73Å; F226-M228 PolarHBondContact O-N 3.19Å; M228-M263 WeakPolarHBondContact O-CE 3.29Å; M228-N265 VanDerWaalsContact CG-ND2 3.34Å; M228-N265 WeakPolarHBondContact CG-ND2 3.45Å
229	Q	93.1	Very high	93	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.019	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-3.1	-176.6	-74.9	175.8	87.3	0	0	113.8	L104 R105 L199 R225 F226 R227 P231 M263	L104-Q229 HydrophobicContact CD1-CB 4.2Å; L104-Q229 HydrophobicContact CD2-CB 4.11Å; R105-Q229 PolarHBondContact O-NE2 3.39Å; R105-Q229 PolarHBondContact O-OE1 3.18Å; R105-Q229 VanDerWaalsContact O-OE1 3.08Å; L199-Q229 HydrophobicContact CD1-CG 3.35Å; R225-Q229 PolarHBondContact O-NE2 3.08Å; R225-Q229 VanDerWaalsContact O-NE2 3.14Å; F226-Q229 CarbonylContact O-C 3.48Å; F226-Q229 WeakPolarHBondContact O-CA 3.44Å; F226-Q229 PolarHBondContact O-N 2.92Å; R227-Q229 PolarHBondContact O-N 3.49Å; Q229-P231 WeakPolarHBondContact O-CD 3.46Å; Q229-M263 VanDerWaalsContact CA-CE 3.5Å
230	T	93.6	Very high	93.1	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	11%	0.106	C	C	.	.			trans	-91.6	102	-179.3	-50.8	0	0	0	0	111.2	V136 N172 F226 V232 M263 E264	V136-T230 HydrophobicContact CG1-CG2 4.42Å; V136-T230 VanDerWaalsContact CG1-OG1 3.29Å; V136-T230 WeakPolarHBondContact CG1-OG1 3.4Å; V136-T230 HydrophobicContact CG2-CG2 4.03Å; N172-T230 HydrophobicContact CB-CG2 3.91Å; N172-T230 VanDerWaalsContact CG-CG2 3.47Å; F226-T230 PolarHBondContact O-N 2.99Å; F226-T230 VanDerWaalsContact O-N 3.11Å; F226-T230 PolarHBondContact O-OG1 3.3Å; T230-V232 PolarHBondContact O-N 3.1Å; T230-M263 CarbonylContact O-C 3.54Å; T230-M263 WeakPolarHBondContact O-CA 3.43Å; T230-E264 WeakPolarHBondContact CB-OE2 3.44Å; T230-E264 HydrophobicContact CG2-CB 4.3Å; T230-E264 WeakPolarHBondContact CG2-OE2 3.27Å; T230-E264 PolarHBondContact O-N 2.72Å; T230-E264 PolarHBondContact OG1-OE2 3.12Å
231	P	95.3	Very high	93.1	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.013	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.5	169.7	25	-35.1	0	0	0	112.3	K148 L168 N172 L174 Q229 V261 M263	K148-P231 PolarHBondContact NZ-O 3.07Å; K148-P231 VanDerWaalsContact NZ-O 3.09Å; L168-P231 HydrophobicContact CD1-CB 3.97Å; L168-P231 HydrophobicContact CD1-CG 3.54Å; L168-P231 HydrophobicContact CD2-CB 4.48Å; N172-P231 HydrophobicContact CB-CG 4.24Å; N172-P231 WeakPolarHBondContact O-CD 3.5Å; N172-P231 WeakPolarHBondContact O-CG 3.37Å; L174-P231 HydrophobicContact CB-CG 4.31Å; Q229-P231 WeakPolarHBondContact O-CD 3.46Å; P231-V261 HydrophobicContact CB-CG1 3.72Å; P231-M263 HydrophobicContact CB-SD 4.27Å
232	V	93.6	Very high	92.8	Very high	24 Å²	24	21 Å²	21	15%	0.145	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-47.8	173.1	179.3	0	0	0	0	110.6	L168 T230 L262 E264	L168-V232 WeakPolarHBondContact CD2-O 3.37Å; T230-V232 PolarHBondContact O-N 3.1Å; V232-L262 PolarHBondContact N-O 3.35Å; V232-E264 HydrophobicContact CG2-CB 3.92Å; V232-E264 HydrophobicContact CG2-CG 4.4Å
233	K	95.3	Very high	92.4	Very high	14 Å²	14	27.3 Å²	27.3	6%	0.061	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	158	-173	-156.1	74.5	178.4	-157.1	0	111.7	F149 V261 L262 D298 L299	F149-K233 HydrophobicContact CD1-CD 3.99Å; F149-K233 HydrophobicContact CD2-CD 4.44Å; F149-K233 HydrophobicContact CE1-CD 4.1Å; F149-K233 VanDerWaalsContact CE2-CE 3.43Å; F149-K233 VanDerWaalsContact CE2-NZ 3.26Å; F149-K233 HydrophobicContact CG-CD 4.2Å; F149-K233 HydrophobicContact CZ-CD 4.37Å; K233-V261 WeakPolarHBondContact O-CA 3.4Å; K233-L262 HydrophobicContact CB-CB 4.29Å; K233-L262 HydrophobicContact CB-CD2 4.42Å; K233-L262 PolarHBondContact N-O 3.27Å; K233-L262 PolarHBondContact O-N 3.09Å; K233-D298 WeakPolarHBondContact CD-OD1 3.47Å; K233-D298 WeakPolarHBondContact CE-OD1 3.3Å; K233-D298 IonicContact NZ-OD1 3.55Å; K233-D298 PolarHBondContact NZ-OD1 3.41Å; K233-L299 HydrophobicContact CB-CB 3.92Å; K233-L299 HydrophobicContact CG-CB 3.83Å
234	M	96.3	Very high	91.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.7	170.5	67.7	-76.1	178.9	0	0	112.3	F149 A166 L168 L174 L259 A260 V261	F149-M234 HydrophobicContact CB-CE 4.41Å; F149-M234 HydrophobicContact CD1-CE 3.45Å; F149-M234 VanDerWaalsContact CD1-CE 3.45Å; F149-M234 HydrophobicContact CD1-SD 3.56Å; F149-M234 VanDerWaalsContact CD1-SD 3.56Å; F149-M234 HydrophobicContact CE1-CE 4.07Å; F149-M234 WeakPolarHBondContact CE1-O 3.44Å; F149-M234 HydrophobicContact CE1-SD 4.18Å; F149-M234 HydrophobicContact CG-CE 4.34Å; A166-M234 HydrophobicContact CB-CE 4.17Å; A166-M234 HydrophobicContact CB-CG 4.27Å; A166-M234 WeakPolarHBondContact O-CE 3.22Å; L168-M234 HydrophobicContact CB-CE 3.78Å; L168-M234 HydrophobicContact CB-SD 3.79Å; L168-M234 HydrophobicContact CD2-SD 4.22Å; L174-M234 HydrophobicContact CD1-CE 4.2Å; L174-M234 HydrophobicContact CD1-CG 4.07Å; L174-M234 HydrophobicContact CD1-SD 3.89Å; M234-L259 HydrophobicContact CB-CD1 3.92Å; M234-L259 HydrophobicContact CB-CG 4.48Å; M234-L259 HydrophobicContact CG-CD1 4.17Å; M234-A260 CarbonylContact C-O 3.57Å; M234-A260 WeakPolarHBondContact CA-O 3.38Å; M234-A260 WeakPolarHBondContact CB-O 2.87Å; M234-V261 HydrophobicContact CB-CG2 4.34Å
235	E	96.4	Very high	91.3	Very high	26 Å²	26	33.8 Å²	33.8	12%	0.121	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.9	173.1	-78.5	-64.2	-178.6	0	0	111.4	R57 S151 A260 L299	R57-E235 IonicContact CZ-OE1 2.68Å; R57-E235 IonicContact NH1-OE1 3.59Å; R57-E235 IonicContact NH2-OE1 3.93Å; R57-E235 PolarHBondContact NH2-OE1 2.92Å; S151-E235 PolarHBondContact OG-OE2 2.83Å; E235-A260 PolarHBondContact N-O 2.85Å; E235-A260 PolarHBondContact O-N 3.49Å; E235-L299 HydrophobicContact CB-CD2 4.37Å; E235-L299 WeakPolarHBondContact CG-O 3.3Å
236	W	96.7	Very high	90.7	Very high	16 Å²	16	37.3 Å²	37.3	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	145.9	179.9	-65.1	96.2	0	0	0	111.7	S151 L164 A166 V176 V257 L258 L259 F273	S151-W236 PolarHBondContact O-NE1 3.02Å; L164-W236 HydrophobicContact CB-CZ2 4.44Å; L164-W236 HydrophobicContact CD1-CH2 4.34Å; A166-W236 HydrophobicContact CB-CZ2 3.92Å; V176-W236 HydrophobicContact CG1-CH2 4.31Å; V176-W236 HydrophobicContact CG1-CZ2 4.34Å; V176-W236 HydrophobicContact CG2-CH2 4.48Å; V176-W236 HydrophobicContact CG2-CZ2 4.47Å; W236-V257 HydrophobicContact CE3-CG1 4.21Å; W236-V257 HydrophobicContact CE3-CG2 4Å; W236-V257 HydrophobicContact CZ3-CG1 4.02Å; W236-L258 WeakPolarHBondContact CA-O 3.41Å; W236-L259 HydrophobicContact CD2-CB 4.33Å; W236-L259 HydrophobicContact CD2-CD1 3.69Å; W236-L259 HydrophobicContact CE3-CB 3.84Å; W236-L259 HydrophobicContact CE3-CD1 4.11Å; W236-L259 HydrophobicContact CE3-CG 4.49Å; W236-L259 HydrophobicContact CG-CD1 3.99Å; W236-L259 HydrophobicContact CH2-CB 4.19Å; W236-L259 HydrophobicContact CH2-CD2 4.13Å; W236-L259 HydrophobicContact CZ2-CD1 4.15Å; W236-L259 HydrophobicContact CZ2-CD2 4.11Å; W236-L259 HydrophobicContact CZ3-CB 3.77Å; W236-L259 HydrophobicContact CZ3-CG 4.5Å; W236-F273 HydrophobicContact CH2-CD2 4.2Å; W236-F273 HydrophobicContact CH2-CE1 4.26Å; W236-F273 AromaticContact CH2-CE2 3.92Å; W236-F273 HydrophobicContact CH2-CE2 3.92Å; W236-F273 AromaticContact CH2-CZ 3.96Å; W236-F273 HydrophobicContact CH2-CZ 3.96Å; W236-F273 AromaticContact CZ3-CD2 3.73Å; W236-F273 HydrophobicContact CZ3-CD2 3.73Å; W236-F273 AromaticContact CZ3-CE2 3.81Å; W236-F273 HydrophobicContact CZ3-CE2 3.81Å; W236-F273 HydrophobicContact CZ3-CG 4.2Å; W236-F273 HydrophobicContact CZ3-CZ 4.31Å
237	S	95.3	Very high	89.9	Confident	4 Å²	4	42.1 Å²	42.1	3%	0.028	23%	0.226	C	C	.	.			trans	-78.1	174.4	167.5	75.7	0	0	0	0	111.9	P154 Y240 V257 L258 W301	P154-S237 WeakPolarHBondContact CG-O 3.26Å; S237-Y240 WeakPolarHBondContact OG-CE2 3.42Å; S237-V257 WeakPolarHBondContact O-CG2 3.46Å; S237-L258 PolarHBondContact N-O 3.39Å; S237-L258 PolarHBondContact OG-N 3.09Å; S237-L258 PolarHBondContact OG-O 3.48Å; S237-W301 VanDerWaalsContact CB-CZ2 3.47Å
238	S	92.4	Very high	89.3	Confident	36 Å²	36	42.9 Å²	42.9	25%	0.252	24%	0.237	S	C	.	.			trans	-70.8	171.9	160.7	77.1	0	0	0	0	111.8	Y240 E303	S238-Y240 WeakPolarHBondContact O-CD2 3.45Å; S238-Y240 WeakPolarHBondContact O-CE2 3.23Å; S238-E303 WeakPolarHBondContact CB-OE2 3.29Å; S238-E303 PolarHBondContact N-OE1 3.48Å; S238-E303 PolarHBondContact OG-OE1 3.47Å; S238-E303 PolarHBondContact OG-OE2 3.49Å
239	I	93.2	Very high	88.6	Confident	40 Å²	40	49.3 Å²	49.3	21%	0.205	27%	0.271	C	S	.	.			trans	-76.2	128.8	174.3	-60.3	175.2	0	0	0	109.5	P154 L155 E255 L275 R310	P154-I239 HydrophobicContact CB-CD1 4.08Å; P154-I239 HydrophobicContact CB-CG1 3.9Å; P154-I239 HydrophobicContact CG-CG1 4.26Å; L155-I239 WeakPolarHBondContact O-CD1 3.38Å; I239-E255 HydrophobicContact CG2-CB 4.14Å; I239-E255 HydrophobicContact CG2-CG 4.39Å; I239-L275 HydrophobicContact CD1-CD1 3.96Å; I239-L275 HydrophobicContact CG1-CD1 3.95Å; I239-L275 HydrophobicContact CG2-CD1 3.95Å; I239-R310 PolarHBondContact O-NH1 2.77Å
240	Y	91.3	Very high	87.8	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.4	175.8	-60.3	-70.3	0	0	0	110.9	S237 S238 E255 M256 L258 W301 E303 L330 V333 Y336	S237-Y240 WeakPolarHBondContact OG-CE2 3.42Å; S238-Y240 WeakPolarHBondContact O-CD2 3.45Å; S238-Y240 WeakPolarHBondContact O-CE2 3.23Å; Y240-E255 CarbonylContact O-C 3.54Å; Y240-E255 WeakPolarHBondContact O-CA 3.34Å; Y240-M256 HydrophobicContact CD2-CE 4.06Å; Y240-M256 HydrophobicContact CG-CE 4.43Å; Y240-M256 PolarHBondContact N-O 3.31Å; Y240-M256 PolarHBondContact O-N 3.4Å; Y240-L258 HydrophobicContact CE2-CD1 4.43Å; Y240-W301 PolarHBondContact OH-NE1 2.95Å; Y240-E303 VanDerWaalsContact CZ-OE1 3.32Å; Y240-E303 PolarHBondContact OH-OE1 2.72Å; Y240-L330 HydrophobicContact CD1-CD1 4.21Å; Y240-L330 HydrophobicContact CD2-CD1 4.08Å; Y240-L330 HydrophobicContact CE1-CD1 3.79Å; Y240-L330 HydrophobicContact CE2-CD1 3.61Å; Y240-L330 HydrophobicContact CG-CD1 4.34Å; Y240-L330 VanDerWaalsContact CZ-CD1 3.46Å; Y240-V333 HydrophobicContact CD1-CG1 4.03Å; Y240-V333 HydrophobicContact CD1-CG2 4.28Å; Y240-V333 HydrophobicContact CG-CG2 4.17Å; Y240-Y336 HydrophobicContact CE1-CD2 4.44Å; Y240-Y336 HydrophobicContact CE1-CE2 4.23Å
241	T	89.1	Confident	86.8	Confident	59 Å²	59	54.7 Å²	54.7	36%	0.362	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.2	171.6	-44.5	0	0	0	0	108.9	D253	T241-D253 HydrophobicContact CG2-CB 3.67Å
242	I	86.6	Confident	86.2	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.046	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.3	177.3	55.2	166.5	0	0	0	110	E254 M256 K272 K332 V333	I242-E254 WeakPolarHBondContact CD1-OE2 3.4Å; I242-E254 HydrophobicContact CG1-CB 4.06Å; I242-E254 WeakPolarHBondContact CG1-O 3.3Å; I242-E254 PolarHBondContact N-O 2.74Å; I242-E254 PolarHBondContact O-N 3.34Å; I242-M256 HydrophobicContact CD1-SD 4.04Å; I242-M256 HydrophobicContact CG2-CE 4.44Å; I242-M256 HydrophobicContact CG2-CG 4.35Å; I242-M256 HydrophobicContact CG2-SD 3.92Å; I242-K272 VanDerWaalsContact CD1-NZ 3.32Å; I242-K332 HydrophobicContact CG2-CB 4.09Å; I242-V333 HydrophobicContact CG2-CG2 3.79Å
243	K	82.6	Confident	85.7	Confident	131 Å²	131	61.2 Å²	61.2	57%	0.57	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.1	175.2	-70.8	-165.5	169.5	-154.1	0	110.1	D253	K243-D253 WeakPolarHBondContact CE-OD1 3.3Å; K243-D253 WeakPolarHBondContact CG-OD1 3.31Å
244	K	79.8	Confident	85.4	Confident	110 Å²	110	62.3 Å²	62.3	48%	0.478	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.8	175.2	-166	175.3	-173.3	175.9	0	109	C251 V252 E254	K244-C251 WeakPolarHBondContact O-CA 3.38Å; K244-V252 PolarHBondContact N-O 3.36Å; K244-V252 PolarHBondContact O-N 3.18Å; K244-E254 IonicContact NZ-OE1 2.62Å; K244-E254 PolarHBondContact NZ-OE1 3.31Å; K244-E254 IonicContact NZ-OE2 2.83Å
245	V	78.9	Confident	85.1	Confident	97 Å²	97	66.8 Å²	66.8	59%	0.588	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.3	173.5	-174.7	0	0	0	0	107.4	S250	V245-S250 WeakPolarHBondContact CA-O 3.46Å
246	Q	78.4	Confident	85	Confident	95 Å²	95	65.8 Å²	65.8	44%	0.444	37%	0.366	S	S	.	.			trans	-81.5	168.5	174.9	-69.5	-162.5	20.1	0	0	111.2	D248 N249 S250 V252	Q246-D248 WeakPolarHBondContact CB-OD1 3.34Å; Q246-D248 PolarHBondContact O-N 3.32Å; Q246-N249 PolarHBondContact O-N 3.43Å; Q246-S250 PolarHBondContact N-O 3Å; Q246-V252 HydrophobicContact CG-CG2 4.3Å
247	A	76.4	Confident	84.9	Confident	114 Å²	114	65 Å²	65	94%	0.942	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.5	179.8	0	0	0	0	0	113.6	N249	A247-N249 VanDerWaalsContact C-N 3.31Å
248	D	79.4	Confident	84.9	Confident	109 Å²	109	64.8 Å²	64.8	58%	0.583	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	10.6	175.4	68.7	-13.5	0	0	0	113.4	Q246 S250	Q246-D248 WeakPolarHBondContact CB-OD1 3.34Å; Q246-D248 PolarHBondContact O-N 3.32Å; D248-S250 VanDerWaalsContact CG-OG 3.27Å; D248-S250 PolarHBondContact O-N 3.28Å; D248-S250 WeakPolarHBondContact OD1-CB 3.36Å; D248-S250 PolarHBondContact OD1-N 3.35Å; D248-S250 PolarHBondContact OD1-OG 2.92Å; D248-S250 PolarHBondContact OD2-OG 3.48Å
249	N	76.8	Confident	85.2	Confident	141 Å²	141	63.1 Å²	63.1	75%	0.754	35%	0.35	S	S	*	.	S	Bend	trans	61.3	9.5	-171.4	-65.1	-31.3	0	0	0	115.1	Q246 A247	Q246-N249 PolarHBondContact O-N 3.43Å; A247-N249 VanDerWaalsContact C-N 3.31Å
250	S	76.4	Confident	85.4	Confident	40 Å²	40	61.2 Å²	61.2	28%	0.28	34%	0.34	S	S	.	.			trans	-72	145.4	169.2	75.1	0	0	0	0	110.1	V245 Q246 D248	V245-S250 WeakPolarHBondContact CA-O 3.46Å; Q246-S250 PolarHBondContact N-O 3Å; D248-S250 VanDerWaalsContact CG-OG 3.27Å; D248-S250 PolarHBondContact O-N 3.28Å; D248-S250 WeakPolarHBondContact OD1-CB 3.36Å; D248-S250 PolarHBondContact OD1-N 3.35Å; D248-S250 PolarHBondContact OD1-OG 2.92Å; D248-S250 PolarHBondContact OD2-OG 3.48Å
251	C	73.4	Confident	85.7	Confident	81 Å²	81	61.4 Å²	61.4	55%	0.547	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.4	175.9	-72.7	0	0	0	0	108.8	K244	K244-C251 WeakPolarHBondContact O-CA 3.38Å
252	V	81.4	Confident	86.1	Confident	65 Å²	65	58.6 Å²	58.6	39%	0.394	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134	173.6	179	0	0	0	0	109.5	K244 Q246 E254	K244-V252 PolarHBondContact N-O 3.36Å; K244-V252 PolarHBondContact O-N 3.18Å; Q246-V252 HydrophobicContact CG-CG2 4.3Å; V252-E254 PolarHBondContact O-N 2.8Å
253	D	84.3	Confident	86.6	Confident	98 Å²	98	58.5 Å²	58.5	52%	0.524	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.4	172	-71	-22.3	0	0	0	108	T241 K243	T241-D253 HydrophobicContact CG2-CB 3.67Å; K243-D253 WeakPolarHBondContact CE-OD1 3.3Å; K243-D253 WeakPolarHBondContact CG-OD1 3.31Å
254	E	87.5	Confident	87.1	Confident	37 Å²	37	55 Å²	55	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.7	175.6	-177.5	-177.6	-110.5	0	0	107.8	I242 K244 V252 K272 V274	I242-E254 WeakPolarHBondContact CD1-OE2 3.4Å; I242-E254 HydrophobicContact CG1-CB 4.06Å; I242-E254 WeakPolarHBondContact CG1-O 3.3Å; I242-E254 PolarHBondContact N-O 2.74Å; I242-E254 PolarHBondContact O-N 3.34Å; K244-E254 IonicContact NZ-OE1 2.62Å; K244-E254 PolarHBondContact NZ-OE1 3.31Å; K244-E254 IonicContact NZ-OE2 2.83Å; V252-E254 PolarHBondContact O-N 2.8Å; E254-K272 IonicContact OE2-NZ 3.99Å; E254-V274 HydrophobicContact CG-CG1 3.8Å
255	E	91.4	Very high	87.7	Confident	94 Å²	94	52.1 Å²	52.1	44%	0.439	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	143.2	176.8	-68.2	-173.9	158.8	0	0	110.3	I239 Y240 L275	I239-E255 HydrophobicContact CG2-CB 4.14Å; I239-E255 HydrophobicContact CG2-CG 4.39Å; Y240-E255 CarbonylContact O-C 3.54Å; Y240-E255 WeakPolarHBondContact O-CA 3.34Å; E255-L275 HydrophobicContact CB-CB 4.01Å; E255-L275 HydrophobicContact CB-CD1 4.43Å; E255-L275 PolarHBondContact O-N 2.83Å
256	M	92.9	Very high	88.4	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.025	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.3	177.2	70.3	171	-142.9	0	0	111.4	Y240 I242 L258 K272 F273 V333	Y240-M256 HydrophobicContact CD2-CE 4.06Å; Y240-M256 HydrophobicContact CG-CE 4.43Å; Y240-M256 PolarHBondContact N-O 3.31Å; Y240-M256 PolarHBondContact O-N 3.4Å; I242-M256 HydrophobicContact CD1-SD 4.04Å; I242-M256 HydrophobicContact CG2-CE 4.44Å; I242-M256 HydrophobicContact CG2-CG 4.35Å; I242-M256 HydrophobicContact CG2-SD 3.92Å; M256-L258 HydrophobicContact CE-CD1 4.25Å; M256-L258 HydrophobicContact CE-CD2 4.05Å; M256-L258 HydrophobicContact CE-CG 4.14Å; M256-K272 HydrophobicContact CB-CD 4.49Å; M256-K272 HydrophobicContact CB-CG 4.2Å; M256-K272 HydrophobicContact SD-CD 3.79Å; M256-K272 VanDerWaalsContact SD-CE 3.5Å; M256-K272 HydrophobicContact SD-CG 4.02Å; M256-F273 VanDerWaalsContact CA-O 3.23Å; M256-F273 WeakPolarHBondContact CA-O 3.4Å; M256-F273 WeakPolarHBondContact CB-O 3.21Å; M256-V333 HydrophobicContact CE-CG2 4.26Å
257	V	95.3	Very high	89.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.1	168.8	67.4	0	0	0	0	109.3	P154 W236 S237 F273 L275	P154-V257 HydrophobicContact CG-CG2 4.22Å; W236-V257 HydrophobicContact CE3-CG1 4.21Å; W236-V257 HydrophobicContact CE3-CG2 4Å; W236-V257 HydrophobicContact CZ3-CG1 4.02Å; S237-V257 WeakPolarHBondContact O-CG2 3.46Å; V257-F273 HydrophobicContact CG1-CB 3.75Å; V257-F273 HydrophobicContact CG1-CG 4.44Å; V257-F273 PolarHBondContact N-O 3.02Å; V257-F273 PolarHBondContact O-N 2.88Å; V257-L275 HydrophobicContact CB-CD1 4.34Å; V257-L275 HydrophobicContact CG1-CD1 4.41Å; V257-L275 HydrophobicContact CG1-CD2 3.9Å; V257-L275 HydrophobicContact CG1-CG 4.39Å
258	L	96.2	Very high	90.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.7	176.5	-58.4	178.5	0	0	0	110.6	W236 S237 Y240 M256 W271 K272 Y286 W301 L330	W236-L258 WeakPolarHBondContact CA-O 3.41Å; S237-L258 PolarHBondContact N-O 3.39Å; S237-L258 PolarHBondContact OG-N 3.09Å; S237-L258 PolarHBondContact OG-O 3.48Å; Y240-L258 HydrophobicContact CE2-CD1 4.43Å; M256-L258 HydrophobicContact CE-CD1 4.25Å; M256-L258 HydrophobicContact CE-CD2 4.05Å; M256-L258 HydrophobicContact CE-CG 4.14Å; L258-W271 CarbonylContact C-O 3.43Å; L258-W271 VanDerWaalsContact CA-O 3.23Å; L258-W271 WeakPolarHBondContact CA-O 3.21Å; L258-K272 HydrophobicContact CD2-CB 3.76Å; L258-K272 HydrophobicContact CD2-CG 4.16Å; L258-Y286 HydrophobicContact CD2-CD2 4.17Å; L258-Y286 HydrophobicContact CD2-CG 4.1Å; L258-W301 HydrophobicContact CB-CH2 3.77Å; L258-W301 HydrophobicContact CB-CZ3 4.06Å; L258-W301 HydrophobicContact CD1-CH2 3.75Å; L258-W301 HydrophobicContact CD1-CZ2 4.26Å; L258-W301 HydrophobicContact CG-CH2 4.4Å; L258-L330 HydrophobicContact CD1-CD1 4.45Å; L258-L330 HydrophobicContact CD1-CD2 3.5Å
259	L	97.8	Very high	91	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.8	165.4	-178.6	61.9	0	0	0	108.4	A166 V176 L191 M234 W236 V261 W271 F273	A166-L259 HydrophobicContact CB-CD2 4.41Å; V176-L259 HydrophobicContact CG2-CD2 4.34Å; L191-L259 HydrophobicContact CD1-CD2 3.5Å; M234-L259 HydrophobicContact CB-CD1 3.92Å; M234-L259 HydrophobicContact CB-CG 4.48Å; M234-L259 HydrophobicContact CG-CD1 4.17Å; W236-L259 HydrophobicContact CD2-CB 4.33Å; W236-L259 HydrophobicContact CD2-CD1 3.69Å; W236-L259 HydrophobicContact CE3-CB 3.84Å; W236-L259 HydrophobicContact CE3-CD1 4.11Å; W236-L259 HydrophobicContact CE3-CG 4.49Å; W236-L259 HydrophobicContact CG-CD1 3.99Å; W236-L259 HydrophobicContact CH2-CB 4.19Å; W236-L259 HydrophobicContact CH2-CD2 4.13Å; W236-L259 HydrophobicContact CZ2-CD1 4.15Å; W236-L259 HydrophobicContact CZ2-CD2 4.11Å; W236-L259 HydrophobicContact CZ3-CB 3.77Å; W236-L259 HydrophobicContact CZ3-CG 4.5Å; L259-V261 HydrophobicContact CD2-CG2 4.48Å; L259-V261 HydrophobicContact CG-CG2 4.25Å; L259-W271 HydrophobicContact CB-CB 4.44Å; L259-W271 PolarHBondContact N-O 2.73Å; L259-W271 PolarHBondContact O-N 2.97Å; L259-F273 HydrophobicContact CB-CD2 4.48Å; L259-F273 HydrophobicContact CB-CE2 3.82Å; L259-F273 HydrophobicContact CD2-CE2 4.39Å
260	A	97.9	Very high	91.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.2	169.5	0	0	0	0	0	110.1	M234 E235 L270 L299 W301 L314	M234-A260 CarbonylContact C-O 3.57Å; M234-A260 WeakPolarHBondContact CA-O 3.38Å; M234-A260 WeakPolarHBondContact CB-O 2.87Å; E235-A260 PolarHBondContact N-O 2.85Å; E235-A260 PolarHBondContact O-N 3.49Å; A260-L270 HydrophobicContact CB-CD2 3.48Å; A260-L270 VanDerWaalsContact CB-CD2 3.48Å; A260-L299 HydrophobicContact CB-CD2 3.91Å; A260-W301 HydrophobicContact CB-CE3 3.84Å; A260-W301 HydrophobicContact CB-CZ3 3.69Å; A260-L314 HydrophobicContact CB-CD1 4.03Å; A260-L314 HydrophobicContact CB-CD2 3.55Å; A260-L314 HydrophobicContact CB-CG 4.46Å
261	V	98	Very high	92.9	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.8	176	-171.9	0	0	0	0	108.4	L174 P231 K233 M234 L259 M263 L268 V269	L174-V261 HydrophobicContact CD2-CB 4.3Å; L174-V261 HydrophobicContact CD2-CG1 3.81Å; L174-V261 HydrophobicContact CD2-CG2 3.44Å; L174-V261 VanDerWaalsContact CD2-CG2 3.44Å; P231-V261 HydrophobicContact CB-CG1 3.72Å; K233-V261 WeakPolarHBondContact O-CA 3.4Å; M234-V261 HydrophobicContact CB-CG2 4.34Å; L259-V261 HydrophobicContact CD2-CG2 4.48Å; L259-V261 HydrophobicContact CG-CG2 4.25Å; V261-M263 HydrophobicContact CB-SD 4.5Å; V261-M263 HydrophobicContact CG1-SD 3.72Å; V261-L268 WeakPolarHBondContact O-CA 3.39Å; V261-V269 HydrophobicContact CB-CB 4.43Å; V261-V269 PolarHBondContact N-O 3.45Å; V261-V269 PolarHBondContact O-N 3.18Å
262	L	97.5	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.9	175.3	178.4	60.2	0	0	0	108.9	V232 K233 L268 P296 D298 L299 V316	V232-L262 PolarHBondContact N-O 3.35Å; K233-L262 HydrophobicContact CB-CB 4.29Å; K233-L262 HydrophobicContact CB-CD2 4.42Å; K233-L262 PolarHBondContact N-O 3.27Å; K233-L262 PolarHBondContact O-N 3.09Å; L262-L268 HydrophobicContact CB-CD2 4.04Å; L262-L268 HydrophobicContact CD1-CD2 3.72Å; L262-L268 HydrophobicContact CD1-CG 4.29Å; L262-L268 HydrophobicContact CG-CD2 4.46Å; L262-P296 HydrophobicContact CD1-CB 3.72Å; L262-P296 HydrophobicContact CD1-CG 4.22Å; L262-P296 HydrophobicContact CD2-CB 3.67Å; L262-P296 HydrophobicContact CG-CB 3.76Å; L262-P296 HydrophobicContact CG-CG 4.28Å; L262-D298 WeakPolarHBondContact CD2-O 3.38Å; L262-L299 HydrophobicContact CB-CB 4.31Å; L262-L299 HydrophobicContact CB-CD1 4.46Å; L262-L299 HydrophobicContact CB-CD2 4.07Å; L262-L299 HydrophobicContact CD2-CB 4.05Å; L262-V316 HydrophobicContact CD1-CG1 3.98Å; L262-V316 HydrophobicContact CD2-CG1 4.08Å
263	M	96.1	Very high	94.5	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.039	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	157.3	-180	-51.8	-56	-85.3	0	0	110.6	Y195 M228 Q229 T230 P231 V261 N265 G266 D267 V269 P296	Y195-M263 HydrophobicContact CD1-CE 3.82Å; Y195-M263 HydrophobicContact CE1-CE 3.85Å; M228-M263 WeakPolarHBondContact O-CE 3.29Å; Q229-M263 VanDerWaalsContact CA-CE 3.5Å; T230-M263 CarbonylContact O-C 3.54Å; T230-M263 WeakPolarHBondContact O-CA 3.43Å; P231-M263 HydrophobicContact CB-SD 4.27Å; V261-M263 HydrophobicContact CB-SD 4.5Å; V261-M263 HydrophobicContact CG1-SD 3.72Å; M263-N265 VanDerWaalsContact CB-OD1 3.28Å; M263-N265 WeakPolarHBondContact CB-OD1 3.2Å; M263-N265 PolarHBondContact O-N 3.21Å; M263-G266 PolarHBondContact O-N 3.08Å; M263-D267 PolarHBondContact N-O 3.2Å; M263-V269 HydrophobicContact CG-CG2 3.83Å; M263-V269 HydrophobicContact SD-CG2 4.28Å; M263-P296 WeakPolarHBondContact O-CG 3.35Å
264	E	93.9	Very high	94.9	Very high	57 Å²	57	17 Å²	17	27%	0.266	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.8	-176.4	-167.9	-172.1	159.4	0	0	113.1	R227 T230 V232 G266 P296	R227-E264 HydrophobicContact CB-CB 4.17Å; R227-E264 HydrophobicContact CB-CG 4.48Å; R227-E264 HydrophobicContact CG-CB 4.33Å; R227-E264 HydrophobicContact CG-CG 4.12Å; R227-E264 IonicContact NE-OE1 3.2Å; R227-E264 PolarHBondContact O-N 3.25Å; T230-E264 WeakPolarHBondContact CB-OE2 3.44Å; T230-E264 HydrophobicContact CG2-CB 4.3Å; T230-E264 WeakPolarHBondContact CG2-OE2 3.27Å; T230-E264 PolarHBondContact O-N 2.72Å; T230-E264 PolarHBondContact OG1-OE2 3.12Å; V232-E264 HydrophobicContact CG2-CB 3.92Å; V232-E264 HydrophobicContact CG2-CG 4.4Å; E264-G266 PolarHBondContact O-N 3.12Å; E264-P296 WeakPolarHBondContact O-CD 3.36Å
265	N	92.4	Very high	95	Very high	50 Å²	50	16 Å²	16	27%	0.267	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.2	173.4	74.8	-26.3	0	0	0	114.2	R227 M228 M263 D267	R227-N265 HydrophobicContact CB-CB 3.99Å; R227-N265 PolarHBondContact O-N 2.82Å; M228-N265 VanDerWaalsContact CG-ND2 3.34Å; M228-N265 WeakPolarHBondContact CG-ND2 3.45Å; M263-N265 VanDerWaalsContact CB-OD1 3.28Å; M263-N265 WeakPolarHBondContact CB-OD1 3.2Å; M263-N265 PolarHBondContact O-N 3.21Å; N265-D267 VanDerWaalsContact ND2-CG 3.26Å; N265-D267 PolarHBondContact ND2-OD2 3.38Å; N265-D267 WeakPolarHBondContact OD1-CB 3.33Å; N265-D267 PolarHBondContact OD1-N 3.1Å
266	G	93.2	Very high	94.8	Very high	1 Å²	1	15 Å²	15	1%	0.01	8%	0.081	C	C	.	.	S	Bend	trans	93.6	-3.2	-177.3	0	0	0	0	0	114.6	M263 E264 S291	M263-G266 PolarHBondContact O-N 3.08Å; E264-G266 PolarHBondContact O-N 3.12Å; G266-S291 WeakPolarHBondContact O-CB 3.29Å; G266-S291 PolarHBondContact O-N 3.44Å; G266-S291 PolarHBondContact O-OG 2.89Å
267	D	94.9	Very high	94.5	Very high	22 Å²	22	14.9 Å²	14.9	12%	0.118	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	145.4	178.2	-69.6	-17.5	0	0	0	111.7	M263 N265 L288	M263-D267 PolarHBondContact N-O 3.2Å; N265-D267 VanDerWaalsContact ND2-CG 3.26Å; N265-D267 PolarHBondContact ND2-OD2 3.38Å; N265-D267 WeakPolarHBondContact OD1-CB 3.33Å; N265-D267 PolarHBondContact OD1-N 3.1Å; D267-L288 HydrophobicContact CB-CD1 3.82Å
268	L	96.6	Very high	93.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.8	173.5	-68.6	162.4	0	0	0	109.1	V261 L262 L288 I289 L299 L314 V316 M326	V261-L268 WeakPolarHBondContact O-CA 3.39Å; L262-L268 HydrophobicContact CB-CD2 4.04Å; L262-L268 HydrophobicContact CD1-CD2 3.72Å; L262-L268 HydrophobicContact CD1-CG 4.29Å; L262-L268 HydrophobicContact CG-CD2 4.46Å; L268-L288 WeakPolarHBondContact O-CA 3.13Å; L268-I289 HydrophobicContact CB-CB 4.12Å; L268-I289 HydrophobicContact CD1-CB 4.49Å; L268-I289 HydrophobicContact CD1-CG2 4.45Å; L268-I289 PolarHBondContact N-O 3.07Å; L268-I289 PolarHBondContact O-N 3Å; L268-L299 HydrophobicContact CD2-CD1 3.6Å; L268-L299 HydrophobicContact CD2-CD2 4.45Å; L268-L314 HydrophobicContact CB-CD1 4.25Å; L268-L314 HydrophobicContact CD1-CB 3.98Å; L268-L314 HydrophobicContact CD1-CD1 3.76Å; L268-L314 HydrophobicContact CD2-CD1 4.19Å; L268-L314 HydrophobicContact CG-CD1 4.3Å; L268-V316 HydrophobicContact CD1-CG2 3.82Å; L268-V316 HydrophobicContact CD2-CG2 4.16Å; L268-V316 HydrophobicContact CG-CG2 4.37Å; L268-M326 HydrophobicContact CD1-CB 3.98Å; L268-M326 HydrophobicContact CD1-CG 3.86Å
269	V	96.4	Very high	93	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.6	177.3	-176.5	0	0	0	0	108.8	Y195 V261 M263 W271 F285 L288	Y195-V269 HydrophobicContact CD2-CG1 3.9Å; Y195-V269 HydrophobicContact CD2-CG2 4.42Å; Y195-V269 HydrophobicContact CE1-CG2 3.9Å; Y195-V269 HydrophobicContact CE2-CB 4.44Å; Y195-V269 HydrophobicContact CE2-CG1 3.75Å; Y195-V269 HydrophobicContact CE2-CG2 3.76Å; Y195-V269 VanDerWaalsContact CZ-CG2 3.46Å; V261-V269 HydrophobicContact CB-CB 4.43Å; V261-V269 PolarHBondContact N-O 3.45Å; V261-V269 PolarHBondContact O-N 3.18Å; M263-V269 HydrophobicContact CG-CG2 3.83Å; M263-V269 HydrophobicContact SD-CG2 4.28Å; V269-W271 HydrophobicContact CG1-CZ2 4.32Å; V269-F285 HydrophobicContact CG1-CD2 4.13Å; V269-F285 HydrophobicContact CG1-CE2 3.96Å; V269-L288 HydrophobicContact CG2-CD1 3.94Å
270	L	97	Very high	91.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.6	178.1	-64.6	-175	0	0	0	111	A260 Y286 D287 I289 W301 L314 V328	A260-L270 HydrophobicContact CB-CD2 3.48Å; A260-L270 VanDerWaalsContact CB-CD2 3.48Å; L270-Y286 HydrophobicContact CB-CD1 4.06Å; L270-Y286 HydrophobicContact CB-CG 4.5Å; L270-Y286 HydrophobicContact CD1-CD1 4.01Å; L270-Y286 HydrophobicContact CD1-CE1 4.48Å; L270-Y286 WeakPolarHBondContact O-CA 3.47Å; L270-Y286 WeakPolarHBondContact O-CB 3.49Å; L270-Y286 PolarHBondContact O-N 3.15Å; L270-D287 HydrophobicContact CB-CB 4.49Å; L270-D287 HydrophobicContact CD1-CB 4.32Å; L270-D287 PolarHBondContact N-O 2.84Å; L270-D287 PolarHBondContact O-N 2.97Å; L270-I289 HydrophobicContact CD1-CD1 4.01Å; L270-W301 HydrophobicContact CD2-CH2 4.21Å; L270-W301 HydrophobicContact CD2-CZ3 3.89Å; L270-L314 HydrophobicContact CD2-CD1 3.93Å; L270-V328 HydrophobicContact CD1-CG1 3.88Å
271	W	96.8	Very high	90.8	Very high	16 Å²	16	29.3 Å²	29.3	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.5	173.9	-64.7	93.3	0	0	0	110.4	L191 Y195 L258 L259 V269 F273 V283 F285	L191-W271 HydrophobicContact CD1-CG 4.34Å; L191-W271 HydrophobicContact CD2-CD2 3.83Å; L191-W271 HydrophobicContact CD2-CE3 4.06Å; L191-W271 HydrophobicContact CD2-CG 4.12Å; L191-W271 HydrophobicContact CD2-CZ3 4.48Å; Y195-W271 HydrophobicContact CD2-CZ2 4Å; Y195-W271 HydrophobicContact CG-CZ2 4.33Å; L258-W271 CarbonylContact C-O 3.43Å; L258-W271 VanDerWaalsContact CA-O 3.23Å; L258-W271 WeakPolarHBondContact CA-O 3.21Å; L259-W271 HydrophobicContact CB-CB 4.44Å; L259-W271 PolarHBondContact N-O 2.73Å; L259-W271 PolarHBondContact O-N 2.97Å; V269-W271 HydrophobicContact CG1-CZ2 4.32Å; W271-F273 HydrophobicContact CB-CD2 4.48Å; W271-F273 HydrophobicContact CB-CE2 3.81Å; W271-V283 HydrophobicContact CB-CG1 4.42Å; W271-V283 HydrophobicContact CD2-CG1 4.49Å; W271-V283 HydrophobicContact CE3-CG1 3.79Å; W271-V283 HydrophobicContact CZ3-CG1 4.49Å; W271-F285 HydrophobicContact CE3-CB 4.31Å; W271-F285 HydrophobicContact CH2-CB 4.49Å; W271-F285 HydrophobicContact CZ3-CB 4.03Å
272	K	94.8	Very high	90	Very high	33 Å²	33	32.6 Å²	32.6	14%	0.143	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.9	173.8	178.8	-171.3	169.7	-169.3	0	109.9	I242 E254 M256 L258 V283 V284 Y286	I242-K272 VanDerWaalsContact CD1-NZ 3.32Å; E254-K272 IonicContact OE2-NZ 3.99Å; M256-K272 HydrophobicContact CB-CD 4.49Å; M256-K272 HydrophobicContact CB-CG 4.2Å; M256-K272 HydrophobicContact SD-CD 3.79Å; M256-K272 VanDerWaalsContact SD-CE 3.5Å; M256-K272 HydrophobicContact SD-CG 4.02Å; L258-K272 HydrophobicContact CD2-CB 3.76Å; L258-K272 HydrophobicContact CD2-CG 4.16Å; K272-V283 WeakPolarHBondContact O-CA 3.49Å; K272-V284 PolarHBondContact N-O 3.46Å; K272-V284 PolarHBondContact O-N 3.12Å; K272-Y286 HydrophobicContact CB-CD2 4.12Å
273	F	94.7	Very high	89.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.7	170.2	-65.9	-106.3	0	0	0	108.3	V176 V189 L191 W236 M256 V257 L259 W271 F277 V283	V176-F273 HydrophobicContact CG1-CE1 4.4Å; V176-F273 HydrophobicContact CG2-CE1 4.37Å; V176-F273 HydrophobicContact CG2-CZ 4.07Å; V189-F273 HydrophobicContact CG1-CE1 4.17Å; V189-F273 HydrophobicContact CG1-CZ 4.45Å; L191-F273 HydrophobicContact CD1-CZ 4.29Å; L191-F273 HydrophobicContact CD2-CZ 4.38Å; W236-F273 HydrophobicContact CH2-CD2 4.2Å; W236-F273 HydrophobicContact CH2-CE1 4.26Å; W236-F273 AromaticContact CH2-CE2 3.92Å; W236-F273 HydrophobicContact CH2-CE2 3.92Å; W236-F273 AromaticContact CH2-CZ 3.96Å; W236-F273 HydrophobicContact CH2-CZ 3.96Å; W236-F273 AromaticContact CZ3-CD2 3.73Å; W236-F273 HydrophobicContact CZ3-CD2 3.73Å; W236-F273 AromaticContact CZ3-CE2 3.81Å; W236-F273 HydrophobicContact CZ3-CE2 3.81Å; W236-F273 HydrophobicContact CZ3-CG 4.2Å; W236-F273 HydrophobicContact CZ3-CZ 4.31Å; M256-F273 VanDerWaalsContact CA-O 3.23Å; M256-F273 WeakPolarHBondContact CA-O 3.4Å; M256-F273 WeakPolarHBondContact CB-O 3.21Å; V257-F273 HydrophobicContact CG1-CB 3.75Å; V257-F273 HydrophobicContact CG1-CG 4.44Å; V257-F273 PolarHBondContact N-O 3.02Å; V257-F273 PolarHBondContact O-N 2.88Å; L259-F273 HydrophobicContact CB-CD2 4.48Å; L259-F273 HydrophobicContact CB-CE2 3.82Å; L259-F273 HydrophobicContact CD2-CE2 4.39Å; W271-F273 HydrophobicContact CB-CD2 4.48Å; W271-F273 HydrophobicContact CB-CE2 3.81Å; F273-F277 HydrophobicContact CB-CD2 4.45Å; F273-F277 AromaticContact CD1-CD1 3.92Å; F273-F277 HydrophobicContact CD1-CD1 3.92Å; F273-F277 AromaticContact CD1-CD2 3.88Å; F273-F277 HydrophobicContact CD1-CD2 3.88Å; F273-F277 AromaticContact CD1-CE1 3.8Å; F273-F277 HydrophobicContact CD1-CE1 3.8Å; F273-F277 AromaticContact CD1-CE2 3.8Å; F273-F277 HydrophobicContact CD1-CE2 3.8Å; F273-F277 AromaticContact CD1-CG 3.96Å; F273-F277 HydrophobicContact CD1-CG 3.96Å; F273-F277 AromaticContact CD1-CZ 3.78Å; F273-F277 HydrophobicContact CD1-CZ 3.78Å; F273-F277 HydrophobicContact CE1-CD1 4.39Å; F273-F277 AromaticContact CE1-CE1 3.89Å; F273-F277 HydrophobicContact CE1-CE1 3.89Å; F273-F277 HydrophobicContact CE1-CE2 4.34Å; F273-F277 AromaticContact CE1-CZ 3.9Å; F273-F277 HydrophobicContact CE1-CZ 3.9Å; F273-V283 HydrophobicContact CD1-CG2 3.62Å; F273-V283 HydrophobicContact CE1-CB 4.4Å; F273-V283 HydrophobicContact CE1-CG1 4.09Å; F273-V283 HydrophobicContact CE1-CG2 3.4Å; F273-V283 HydrophobicContact CE2-CG1 4.19Å; F273-V283 HydrophobicContact CG-CG2 4.43Å; F273-V283 HydrophobicContact CZ-CG1 3.9Å; F273-V283 HydrophobicContact CZ-CG2 4.06Å
274	V	91.9	Very high	89.5	Confident	28 Å²	28	37.1 Å²	37.1	17%	0.17	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.1	171.6	-179.3	0	0	0	0	109	E254 D282	E254-V274 HydrophobicContact CG-CG1 3.8Å; V274-D282 HydrophobicContact CB-CB 4.4Å; V274-D282 PolarHBondContact N-O 3.15Å
275	L	89.8	Confident	89.5	Confident	16 Å²	16	36.1 Å²	36.1	8%	0.084	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	145	-176.1	-58.6	-173.5	0	0	0	112	C157 I239 E255 V257 F277	C157-L275 HydrophobicContact CB-CD2 3.9Å; C157-L275 WeakPolarHBondContact O-CD2 3.49Å; I239-L275 HydrophobicContact CD1-CD1 3.96Å; I239-L275 HydrophobicContact CG1-CD1 3.95Å; I239-L275 HydrophobicContact CG2-CD1 3.95Å; E255-L275 HydrophobicContact CB-CB 4.01Å; E255-L275 HydrophobicContact CB-CD1 4.43Å; E255-L275 PolarHBondContact O-N 2.83Å; V257-L275 HydrophobicContact CB-CD1 4.34Å; V257-L275 HydrophobicContact CG1-CD1 4.41Å; V257-L275 HydrophobicContact CG1-CD2 3.9Å; V257-L275 HydrophobicContact CG1-CG 4.39Å; L275-F277 HydrophobicContact CD2-CB 4.18Å
276	P	86.1	Confident	89.6	Confident	75 Å²	75	36.8 Å²	36.8	49%	0.487	21%	0.208	S	C	.	.	S	Bend	cis	-72.2	136.7	-5.5	30.5	-34.5	0	0	0	111.7	A278	P276-A278 PolarHBondContact O-N 2.9Å
277	F	87.1	Confident	89.5	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-86.9	113.9	-176.5	-173.2	-113.4	0	0	0	110.3	C157 S159 L164 L188 F273 L275 D279 D282 V283	C157-F277 WeakPolarHBondContact O-CB 3.43Å; C157-F277 PolarHBondContact O-N 3.1Å; S159-F277 PolarHBondContact N-O 3.28Å; L164-F277 HydrophobicContact CD1-CB 4.08Å; L164-F277 HydrophobicContact CD1-CD1 3.68Å; L164-F277 HydrophobicContact CD1-CG 4.22Å; L164-F277 HydrophobicContact CD2-CD1 4.1Å; L188-F277 HydrophobicContact CB-CE1 3.74Å; L188-F277 HydrophobicContact CB-CZ 4.36Å; L188-F277 HydrophobicContact CD1-CD1 3.5Å; L188-F277 HydrophobicContact CD1-CE1 3.39Å; L188-F277 HydrophobicContact CG-CE1 4.21Å; F273-F277 HydrophobicContact CB-CD2 4.45Å; F273-F277 AromaticContact CD1-CD1 3.92Å; F273-F277 HydrophobicContact CD1-CD1 3.92Å; F273-F277 AromaticContact CD1-CD2 3.88Å; F273-F277 HydrophobicContact CD1-CD2 3.88Å; F273-F277 AromaticContact CD1-CE1 3.8Å; F273-F277 HydrophobicContact CD1-CE1 3.8Å; F273-F277 AromaticContact CD1-CE2 3.8Å; F273-F277 HydrophobicContact CD1-CE2 3.8Å; F273-F277 AromaticContact CD1-CG 3.96Å; F273-F277 HydrophobicContact CD1-CG 3.96Å; F273-F277 AromaticContact CD1-CZ 3.78Å; F273-F277 HydrophobicContact CD1-CZ 3.78Å; F273-F277 HydrophobicContact CE1-CD1 4.39Å; F273-F277 AromaticContact CE1-CE1 3.89Å; F273-F277 HydrophobicContact CE1-CE1 3.89Å; F273-F277 HydrophobicContact CE1-CE2 4.34Å; F273-F277 AromaticContact CE1-CZ 3.9Å; F273-F277 HydrophobicContact CE1-CZ 3.9Å; L275-F277 HydrophobicContact CD2-CB 4.18Å; F277-D279 WeakPolarHBondContact CE2-O 3.3Å; F277-D279 VanDerWaalsContact CZ-O 3.23Å; F277-D279 WeakPolarHBondContact CZ-O 3.33Å; F277-D282 HydrophobicContact CD2-CB 3.8Å; F277-D282 HydrophobicContact CE2-CB 3.8Å; F277-V283 HydrophobicContact CD2-CG2 4.4Å; F277-V283 HydrophobicContact CE1-CG2 4.27Å; F277-V283 HydrophobicContact CE2-CG2 3.24Å; F277-V283 HydrophobicContact CZ-CG2 3.17Å
278	A	80.9	Confident	89.5	Confident	51 Å²	51	38.3 Å²	38.3	42%	0.421	22%	0.216	S	C	.	.			trans	-112.8	-35.2	-175.8	0	0	0	0	0	113.4	P276	P276-A278 PolarHBondContact O-N 2.9Å
279	D	79.2	Confident	89.4	Confident	81 Å²	81	39 Å²	39	43%	0.433	22%	0.22	S	C	.	.	S	Bend	trans	-144.6	163.8	179.6	-127.6	-21.1	0	0	0	113.5	K186 F277 D281 D282	K186-D279 VanDerWaalsContact NZ-CG 3.34Å; K186-D279 IonicContact NZ-OD1 2.84Å; K186-D279 PolarHBondContact NZ-OD1 3.06Å; K186-D279 IonicContact NZ-OD2 2.78Å; K186-D279 PolarHBondContact NZ-OD2 3.35Å; F277-D279 WeakPolarHBondContact CE2-O 3.3Å; F277-D279 VanDerWaalsContact CZ-O 3.23Å; F277-D279 WeakPolarHBondContact CZ-O 3.33Å; D279-D281 PolarHBondContact O-N 3.16Å; D279-D281 VanDerWaalsContact O-N 3.09Å; D279-D282 PolarHBondContact O-N 2.84Å
280	G	75.3	Confident	89.2	Confident	19 Å²	19	43.3 Å²	43.3	20%	0.196	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58.6	-21.7	-171.7	0	0	0	0	0	116.2	L188 D282 V283	L188-G280 VanDerWaalsContact O-CA 3.32Å; L188-G280 WeakPolarHBondContact O-CA 3.29Å; G280-D282 VanDerWaalsContact C-N 3.26Å; G280-D282 PolarHBondContact O-N 3.42Å; G280-V283 PolarHBondContact O-N 3.45Å
281	D	75.3	Confident	89	Confident	153 Å²	153	43.6 Å²	43.6	82%	0.818	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-68.8	-22.4	-175.5	-65	-26.6	0	0	0	113.5	D279 V283	D279-D281 PolarHBondContact O-N 3.16Å; D279-D281 VanDerWaalsContact O-N 3.09Å; D281-V283 PolarHBondContact O-N 2.93Å
282	D	80.3	Confident	88.6	Confident	72 Å²	72	46 Å²	46	39%	0.385	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-84.1	8	-178.1	-67.6	-42.5	0	0	0	113.5	V274 F277 D279 G280	V274-D282 HydrophobicContact CB-CB 4.4Å; V274-D282 PolarHBondContact N-O 3.15Å; F277-D282 HydrophobicContact CD2-CB 3.8Å; F277-D282 HydrophobicContact CE2-CB 3.8Å; D279-D282 PolarHBondContact O-N 2.84Å; G280-D282 VanDerWaalsContact C-N 3.26Å; G280-D282 PolarHBondContact O-N 3.42Å
283	V	91.3	Very high	88.3	Confident	23 Å²	23	44.9 Å²	44.9	14%	0.139	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124	177.1	-171.6	0	0	0	0	110.9	V189 L191 W271 K272 F273 F277 G280 D281	V189-V283 HydrophobicContact CB-CG2 4.37Å; V189-V283 HydrophobicContact CG1-CG2 4.08Å; V189-V283 HydrophobicContact CG2-CG2 4.45Å; L191-V283 HydrophobicContact CD2-CG1 3.89Å; W271-V283 HydrophobicContact CB-CG1 4.42Å; W271-V283 HydrophobicContact CD2-CG1 4.49Å; W271-V283 HydrophobicContact CE3-CG1 3.79Å; W271-V283 HydrophobicContact CZ3-CG1 4.49Å; K272-V283 WeakPolarHBondContact O-CA 3.49Å; F273-V283 HydrophobicContact CD1-CG2 3.62Å; F273-V283 HydrophobicContact CE1-CB 4.4Å; F273-V283 HydrophobicContact CE1-CG1 4.09Å; F273-V283 HydrophobicContact CE1-CG2 3.4Å; F273-V283 HydrophobicContact CE2-CG1 4.19Å; F273-V283 HydrophobicContact CG-CG2 4.43Å; F273-V283 HydrophobicContact CZ-CG1 3.9Å; F273-V283 HydrophobicContact CZ-CG2 4.06Å; F277-V283 HydrophobicContact CD2-CG2 4.4Å; F277-V283 HydrophobicContact CE1-CG2 4.27Å; F277-V283 HydrophobicContact CE2-CG2 3.24Å; F277-V283 HydrophobicContact CZ-CG2 3.17Å; G280-V283 PolarHBondContact O-N 3.45Å; D281-V283 PolarHBondContact O-N 2.93Å
284	V	92.2	Very high	88.1	Confident	80 Å²	80	48.7 Å²	48.7	49%	0.485	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.3	-177.6	-172.5	0	0	0	0	110.1	K272 Y286	K272-V284 PolarHBondContact N-O 3.46Å; K272-V284 PolarHBondContact O-N 3.12Å; V284-Y286 PolarHBondContact O-N 2.97Å
285	F	93.7	Very high	88.1	Confident	36 Å²	36	52.7 Å²	52.7	16%	0.158	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	126.1	167.3	172	-83.2	0	0	0	109.5	Y195 V269 W271 L288	Y195-F285 HydrophobicContact CE2-CE2 4.16Å; V269-F285 HydrophobicContact CG1-CD2 4.13Å; V269-F285 HydrophobicContact CG1-CE2 3.96Å; W271-F285 HydrophobicContact CE3-CB 4.31Å; W271-F285 HydrophobicContact CH2-CB 4.49Å; W271-F285 HydrophobicContact CZ3-CB 4.03Å; F285-L288 HydrophobicContact CE2-CB 4.47Å; F285-L288 HydrophobicContact CZ-CB 3.89Å
286	Y	93.4	Very high	88.3	Confident	64 Å²	64	52.1 Å²	52.1	25%	0.251	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-59.3	-176.2	-174.5	-94.9	0	0	0	112.2	L258 L270 K272 V284 S329 L330	L258-Y286 HydrophobicContact CD2-CD2 4.17Å; L258-Y286 HydrophobicContact CD2-CG 4.1Å; L270-Y286 HydrophobicContact CB-CD1 4.06Å; L270-Y286 HydrophobicContact CB-CG 4.5Å; L270-Y286 HydrophobicContact CD1-CD1 4.01Å; L270-Y286 HydrophobicContact CD1-CE1 4.48Å; L270-Y286 WeakPolarHBondContact O-CA 3.47Å; L270-Y286 WeakPolarHBondContact O-CB 3.49Å; L270-Y286 PolarHBondContact O-N 3.15Å; K272-Y286 HydrophobicContact CB-CD2 4.12Å; V284-Y286 PolarHBondContact O-N 2.97Å; Y286-S329 PolarHBondContact OH-O 3.3Å; Y286-L330 HydrophobicContact CE1-CD2 3.86Å; Y286-L330 WeakPolarHBondContact OH-CD2 3.49Å
287	D	92.9	Very high	88.7	Confident	46 Å²	46	49.7 Å²	49.7	25%	0.246	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	162.9	-177.4	-163.4	11.1	0	0	0	111.9	K207 L270	K207-D287 IonicContact NZ-OD1 2.96Å; L270-D287 HydrophobicContact CB-CB 4.49Å; L270-D287 HydrophobicContact CD1-CB 4.32Å; L270-D287 PolarHBondContact N-O 2.84Å; L270-D287 PolarHBondContact O-N 2.97Å
288	L	94	Very high	89.1	Confident	9 Å²	9	49.7 Å²	49.7	5%	0.047	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.4	171.1	177.6	71	0	0	0	109	K207 D267 L268 V269 F285	K207-L288 HydrophobicContact CB-CD2 4.49Å; K207-L288 PolarHBondContact NZ-O 2.89Å; D267-L288 HydrophobicContact CB-CD1 3.82Å; L268-L288 WeakPolarHBondContact O-CA 3.13Å; V269-L288 HydrophobicContact CG2-CD1 3.94Å; F285-L288 HydrophobicContact CE2-CB 4.47Å; F285-L288 HydrophobicContact CZ-CB 3.89Å
289	I	94.2	Very high	89.9	Confident	15 Å²	15	47.3 Å²	47.3	8%	0.077	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118	179.3	-55.6	165.1	0	0	0	108.9	L268 L270 S291 L314 M326 V328	L268-I289 HydrophobicContact CB-CB 4.12Å; L268-I289 HydrophobicContact CD1-CB 4.49Å; L268-I289 HydrophobicContact CD1-CG2 4.45Å; L268-I289 PolarHBondContact N-O 3.07Å; L268-I289 PolarHBondContact O-N 3Å; L270-I289 HydrophobicContact CD1-CD1 4.01Å; I289-S291 PolarHBondContact O-N 3.02Å; I289-L314 HydrophobicContact CD1-CD1 4.41Å; I289-M326 HydrophobicContact CG2-CB 4.32Å; I289-M326 HydrophobicContact CG2-CE 4.21Å; I289-V328 HydrophobicContact CD1-CG2 4.04Å
290	E	93	Very high	90.7	Very high	91 Å²	91	43.7 Å²	43.7	43%	0.425	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	108.1	174.9	-60.8	-179.7	169	0	0	108.4	K207	K207-E290 HydrophobicContact CB-CG 4.42Å; K207-E290 WeakPolarHBondContact CB-OE1 3.49Å; K207-E290 PolarHBondContact N-OE1 3.31Å
291	S	91.3	Very high	91.6	Very high	7 Å²	7	44 Å²	44	5%	0.049	25%	0.245	C	C	.	.			trans	-74.5	-26.4	-174.8	74.8	0	0	0	0	113.8	G266 I289 V293	G266-S291 WeakPolarHBondContact O-CB 3.29Å; G266-S291 PolarHBondContact O-N 3.44Å; G266-S291 PolarHBondContact O-OG 2.89Å; I289-S291 PolarHBondContact O-N 3.02Å; S291-V293 PolarHBondContact O-N 2.86Å; S291-V293 WeakPolarHBondContact OG-CB 3.47Å; S291-V293 PolarHBondContact OG-N 3.38Å; S291-V293 VanDerWaalsContact OG-N 3.08Å
292	G	88.5	Confident	92.5	Very high	67 Å²	67	36.8 Å²	36.8	69%	0.691	21%	0.206	S	C	*	.			trans	63.2	18.3	-170	0	0	0	0	0	113.6
293	V	90.4	Very high	93	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.048	20%	0.199	C	C	.	.			trans	-92.8	122.3	172.5	179.5	0	0	0	0	108.7	S291 V316 K324	S291-V293 PolarHBondContact O-N 2.86Å; S291-V293 WeakPolarHBondContact OG-CB 3.47Å; S291-V293 PolarHBondContact OG-N 3.38Å; S291-V293 VanDerWaalsContact OG-N 3.08Å; V293-V316 HydrophobicContact CB-CG1 4.04Å; V293-V316 HydrophobicContact CG1-CG1 4.1Å; V293-V316 HydrophobicContact CG2-CB 4.31Å; V293-V316 HydrophobicContact CG2-CG1 4.03Å; V293-K324 HydrophobicContact CG2-CD 3.95Å; V293-K324 HydrophobicContact CG2-CG 4.39Å
294	S	88.9	Confident	92.9	Very high	80 Å²	80	35.4 Å²	35.4	56%	0.559	20%	0.196	S	C	*	.	S	Bend	trans	-80.7	146.1	172.6	52.1	0	0	0	0	110.7	S318	S294-S318 PolarHBondContact O-OG 3.36Å
295	R	91.7	Very high	92.5	Very high	112 Å²	112	37.7 Å²	37.7	42%	0.423	20%	0.199	S	C	.	.	S	Bend	trans	44.3	63.8	-178.9	-56.6	-170.9	-48.1	-162.7	7	112.3	S318 E319 E351	R295-S318 WeakPolarHBondContact O-CA 3.46Å; R295-S318 PolarHBondContact O-OG 3.41Å; R295-E319 HydrophobicContact CB-CB 4.02Å; R295-E319 HydrophobicContact CB-CG 4.28Å; R295-E319 IonicContact NE-OE2 3.41Å; R295-E319 PolarHBondContact O-N 2.99Å; R295-E351 IonicContact CZ-OE2 3.94Å; R295-E351 IonicContact NH1-OE2 3.65Å; R295-E351 IonicContact NH2-OE1 2.82Å; R295-E351 IonicContact NH2-OE2 3.77Å; R295-E351 PolarHBondContact NH2-OE2 3.4Å
296	P	95.1	Very high	91.9	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.3	179.2	25.3	-33.2	0	0	0	111.1	L262 M263 E264 V316 G317	L262-P296 HydrophobicContact CD1-CB 3.72Å; L262-P296 HydrophobicContact CD1-CG 4.22Å; L262-P296 HydrophobicContact CD2-CB 3.67Å; L262-P296 HydrophobicContact CG-CB 3.76Å; L262-P296 HydrophobicContact CG-CG 4.28Å; M263-P296 WeakPolarHBondContact O-CG 3.35Å; E264-P296 WeakPolarHBondContact O-CD 3.36Å; P296-V316 HydrophobicContact CB-CG1 4.35Å; P296-G317 WeakPolarHBondContact CA-O 2.96Å
297	S	94.6	Very high	91.2	Very high	24 Å²	24	39.7 Å²	39.7	17%	0.168	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-40.2	-176.1	58.4	0	0	0	0	113.9	G317 S318 V354	S297-G317 PolarHBondContact N-O 2.92Å; S297-G317 VanDerWaalsContact OG-C 3.28Å; S297-G317 PolarHBondContact OG-O 3.49Å; S297-S318 VanDerWaalsContact OG-C 3.23Å; S297-S318 PolarHBondContact OG-N 3.21Å; S297-S318 PolarHBondContact OG-O 2.86Å; S297-V354 WeakPolarHBondContact CB-O 3.43Å; S297-V354 PolarHBondContact OG-O 2.71Å
298	D	95.3	Very high	90.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.011	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.7	-175.8	-150.1	7.6	0	0	0	112.3	Q54 K233 L262 G317 N356 I357	Q54-D298 PolarHBondContact NE2-OD2 3.32Å; K233-D298 WeakPolarHBondContact CD-OD1 3.47Å; K233-D298 WeakPolarHBondContact CE-OD1 3.3Å; K233-D298 IonicContact NZ-OD1 3.55Å; K233-D298 PolarHBondContact NZ-OD1 3.41Å; L262-D298 WeakPolarHBondContact CD2-O 3.38Å; D298-G317 PolarHBondContact O-N 3.47Å; D298-N356 VanDerWaalsContact OD2-CA 3.26Å; D298-N356 WeakPolarHBondContact OD2-CA 3.36Å; D298-N356 PolarHBondContact OD2-N 3.15Å; D298-I357 HydrophobicContact CB-CD1 4.1Å; D298-I357 HydrophobicContact CB-CG1 4.1Å; D298-I357 PolarHBondContact OD2-N 2.84Å
299	L	96.6	Very high	89.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.8	-175.7	-175.6	67	0	0	0	110	K233 E235 A260 L262 L268 L314 I315 V316	K233-L299 HydrophobicContact CB-CB 3.92Å; K233-L299 HydrophobicContact CG-CB 3.83Å; E235-L299 HydrophobicContact CB-CD2 4.37Å; E235-L299 WeakPolarHBondContact CG-O 3.3Å; A260-L299 HydrophobicContact CB-CD2 3.91Å; L262-L299 HydrophobicContact CB-CB 4.31Å; L262-L299 HydrophobicContact CB-CD1 4.46Å; L262-L299 HydrophobicContact CB-CD2 4.07Å; L262-L299 HydrophobicContact CD2-CB 4.05Å; L268-L299 HydrophobicContact CD2-CD1 3.6Å; L268-L299 HydrophobicContact CD2-CD2 4.45Å; L299-L314 HydrophobicContact CD1-CB 4.27Å; L299-L314 HydrophobicContact CD1-CD2 4.24Å; L299-I315 WeakPolarHBondContact CA-O 3.49Å; L299-V316 HydrophobicContact CD1-CG2 4.19Å
300	A	96.4	Very high	89.4	Confident	5 Å²	5	49.9 Å²	49.9	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.3	167	0	0	0	0	0	111.4	I315 I357	A300-I315 HydrophobicContact CB-CB 4.27Å; A300-I315 HydrophobicContact CB-CD1 4.2Å; A300-I315 PolarHBondContact N-O 2.86Å; A300-I315 PolarHBondContact O-N 3Å; A300-I357 HydrophobicContact CB-CB 4.02Å; A300-I357 HydrophobicContact CB-CG2 3.55Å
301	W	95.6	Very high	89.2	Confident	27 Å²	27	47.1 Å²	47.1	10%	0.102	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.1	173.4	-163.1	-72.8	0	0	0	109.8	S237 Y240 L258 A260 L270 E303 L314 V328	S237-W301 VanDerWaalsContact CB-CZ2 3.47Å; Y240-W301 PolarHBondContact OH-NE1 2.95Å; L258-W301 HydrophobicContact CB-CH2 3.77Å; L258-W301 HydrophobicContact CB-CZ3 4.06Å; L258-W301 HydrophobicContact CD1-CH2 3.75Å; L258-W301 HydrophobicContact CD1-CZ2 4.26Å; L258-W301 HydrophobicContact CG-CH2 4.4Å; A260-W301 HydrophobicContact CB-CE3 3.84Å; A260-W301 HydrophobicContact CB-CZ3 3.69Å; L270-W301 HydrophobicContact CD2-CH2 4.21Å; L270-W301 HydrophobicContact CD2-CZ3 3.89Å; W301-E303 PolarHBondContact NE1-OE1 3.45Å; W301-L314 HydrophobicContact CD2-CD2 3.85Å; W301-L314 HydrophobicContact CE3-CD2 3.38Å; W301-L314 HydrophobicContact CE3-CG 4.49Å; W301-L314 HydrophobicContact CG-CD2 4.41Å; W301-L314 HydrophobicContact CZ3-CD2 3.79Å; W301-V328 HydrophobicContact CH2-CG1 4.42Å; W301-V328 HydrophobicContact CZ2-CG1 4.48Å
302	W	94.3	Very high	89.1	Confident	1 Å²	1	46.8 Å²	46.8	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.1	175	166.9	57.2	0	0	0	110.3	M311 G312 G313 I315 I325 L339 S372 L387 I389	W302-M311 HydrophobicContact CH2-CG 3.92Å; W302-M311 HydrophobicContact CH2-SD 3.7Å; W302-M311 HydrophobicContact CZ3-CG 4.14Å; W302-M311 HydrophobicContact CZ3-SD 4.31Å; W302-G312 CarbonylContact O-C 3.55Å; W302-G312 WeakPolarHBondContact O-CA 3.5Å; W302-G313 PolarHBondContact N-O 3.21Å; W302-G313 PolarHBondContact O-N 2.74Å; W302-I315 HydrophobicContact CB-CD1 3.89Å; W302-I315 HydrophobicContact CB-CG1 4.07Å; W302-I325 HydrophobicContact CE3-CD1 4.43Å; W302-I325 HydrophobicContact CE3-CG2 3.87Å; W302-I325 HydrophobicContact CZ3-CG2 4.29Å; W302-L339 HydrophobicContact CH2-CD1 4.35Å; W302-L339 HydrophobicContact CZ3-CD1 3.63Å; W302-L339 HydrophobicContact CZ3-CG 4.18Å; W302-S372 VanDerWaalsContact NE1-CB 3.29Å; W302-S372 PolarHBondContact NE1-OG 3.35Å; W302-L387 HydrophobicContact CD2-CD1 4.19Å; W302-L387 HydrophobicContact CZ2-CD1 3.93Å; W302-I389 HydrophobicContact CH2-CD1 4.38Å; W302-I389 HydrophobicContact CZ2-CD1 4.15Å
303	E	90.1	Very high	89.3	Confident	51 Å²	51	43.6 Å²	43.6	24%	0.238	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.2	170.3	-76	175.5	-160	0	0	111.2	S238 Y240 W301 M311	S238-E303 WeakPolarHBondContact CB-OE2 3.29Å; S238-E303 PolarHBondContact N-OE1 3.48Å; S238-E303 PolarHBondContact OG-OE1 3.47Å; S238-E303 PolarHBondContact OG-OE2 3.49Å; Y240-E303 VanDerWaalsContact CZ-OE1 3.32Å; Y240-E303 PolarHBondContact OH-OE1 2.72Å; W301-E303 PolarHBondContact NE1-OE1 3.45Å; E303-M311 CarbonylContact C-O 3.52Å; E303-M311 WeakPolarHBondContact CA-O 3.45Å
304	Y	88.3	Confident	89.7	Confident	15 Å²	15	43.2 Å²	43.2	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.1	170.9	178.2	-98.8	0	0	0	109.3	N306 R310 M311 S370 I389	Y304-N306 HydrophobicContact CD1-CB 4.45Å; Y304-N306 HydrophobicContact CE1-CB 3.48Å; Y304-N306 VanDerWaalsContact CE1-CB 3.48Å; Y304-N306 WeakPolarHBondContact OH-CB 3.26Å; Y304-N306 PolarHBondContact OH-ND2 2.99Å; Y304-R310 CarbonylContact O-C 3.59Å; Y304-R310 VanDerWaalsContact O-CA 3.29Å; Y304-R310 WeakPolarHBondContact O-CA 3.12Å; Y304-M311 PolarHBondContact N-O 2.72Å; Y304-M311 PolarHBondContact O-N 2.67Å; Y304-S370 VanDerWaalsContact CE2-O 3.26Å; Y304-S370 WeakPolarHBondContact CE2-O 3.49Å; Y304-I389 HydrophobicContact CD1-CD1 3.45Å; Y304-I389 VanDerWaalsContact CD1-CD1 3.45Å; Y304-I389 HydrophobicContact CD2-CD1 3.77Å; Y304-I389 HydrophobicContact CE1-CB 4.12Å; Y304-I389 HydrophobicContact CE1-CD1 3.76Å; Y304-I389 HydrophobicContact CE1-CG2 4.3Å; Y304-I389 HydrophobicContact CE2-CB 4.22Å; Y304-I389 HydrophobicContact CE2-CD1 4.04Å; Y304-I389 HydrophobicContact CE2-CG1 4.44Å; Y304-I389 HydrophobicContact CG-CD1 3.44Å; Y304-I389 VanDerWaalsContact CG-CD1 3.44Å
305	K	84.4	Confident	90.1	Very high	128 Å²	128	39.4 Å²	39.4	56%	0.557	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.5	175.8	-176.1	178.3	176.8	-173.4	0	109	R310	K305-R310 HydrophobicContact CG-CG 4.4Å
306	N	81.8	Confident	90.3	Very high	80 Å²	80	34.1 Å²	34.1	43%	0.428	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	107.4	171.5	-173.4	8.4	0	0	0	109	Y304 S308 Q309	Y304-N306 HydrophobicContact CD1-CB 4.45Å; Y304-N306 HydrophobicContact CE1-CB 3.48Å; Y304-N306 VanDerWaalsContact CE1-CB 3.48Å; Y304-N306 WeakPolarHBondContact OH-CB 3.26Å; Y304-N306 PolarHBondContact OH-ND2 2.99Å; N306-S308 PolarHBondContact O-N 3.31Å; N306-Q309 PolarHBondContact N-O 3.5Å; N306-Q309 PolarHBondContact O-N 2.87Å
307	G	78.7	Confident	90.4	Very high	62 Å²	62	33.9 Å²	33.9	64%	0.639	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	-119.2	-171.3	0	0	0	0	0	112.1
308	S	74.6	Confident	90.4	Very high	104 Å²	104	32.9 Å²	32.9	73%	0.727	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.1	178.5	59.5	0	0	0	0	114.1	N306	N306-S308 PolarHBondContact O-N 3.31Å
309	Q	81.4	Confident	90.4	Very high	115 Å²	115	37.1 Å²	37.1	54%	0.537	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.7	178.7	-68.7	-176.7	-13.9	0	0	110.3	N306 G335	N306-Q309 PolarHBondContact N-O 3.5Å; N306-Q309 PolarHBondContact O-N 2.87Å; Q309-G335 WeakPolarHBondContact CA-O 3.35Å
310	R	86.8	Confident	90.2	Very high	65 Å²	65	37.9 Å²	37.9	25%	0.245	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.4	171.6	-63.1	-169.3	-172.3	-168.3	6	109.5	I239 Y304 K305 G335 Y336 C337	I239-R310 PolarHBondContact O-NH1 2.77Å; Y304-R310 CarbonylContact O-C 3.59Å; Y304-R310 VanDerWaalsContact O-CA 3.29Å; Y304-R310 WeakPolarHBondContact O-CA 3.12Å; K305-R310 HydrophobicContact CG-CG 4.4Å; R310-G335 PolarHBondContact N-O 3.24Å; R310-Y336 HydrophobicContact CB-CD2 3.89Å; R310-Y336 HydrophobicContact CB-CE2 4.49Å; R310-Y336 CarbonylContact O-C 3.54Å; R310-Y336 WeakPolarHBondContact O-CA 3.46Å; R310-C337 PolarHBondContact O-N 3.35Å
311	M	88	Confident	89.9	Confident	33 Å²	33	37.7 Å²	37.7	16%	0.163	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.9	171.2	176.6	179.5	-64.1	0	0	107.5	W302 E303 Y304 C337 L339 I389	W302-M311 HydrophobicContact CH2-CG 3.92Å; W302-M311 HydrophobicContact CH2-SD 3.7Å; W302-M311 HydrophobicContact CZ3-CG 4.14Å; W302-M311 HydrophobicContact CZ3-SD 4.31Å; E303-M311 CarbonylContact C-O 3.52Å; E303-M311 WeakPolarHBondContact CA-O 3.45Å; Y304-M311 PolarHBondContact N-O 2.72Å; Y304-M311 PolarHBondContact O-N 2.67Å; M311-C337 WeakPolarHBondContact CA-O 3.4Å; M311-C337 HydrophobicContact CE-CB 3.9Å; M311-C337 WeakPolarHBondContact CG-O 3.43Å; M311-L339 HydrophobicContact SD-CD2 3.65Å; M311-L339 HydrophobicContact SD-CG 4.1Å; M311-I389 HydrophobicContact SD-CD1 3.85Å
312	G	88.9	Confident	89.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	165.1	178.3	0	0	0	0	0	113.1	W302 Y336	W302-G312 CarbonylContact O-C 3.55Å; W302-G312 WeakPolarHBondContact O-CA 3.5Å; G312-Y336 WeakPolarHBondContact CA-OH 3.09Å; G312-Y336 PolarHBondContact N-OH 3.16Å; G312-Y336 VanDerWaalsContact N-OH 3.1Å; G312-Y336 PolarHBondContact O-OH 3.36Å
313	G	94.3	Very high	89.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	169.1	-176.4	0	0	0	0	0	111.5	W302 M326	W302-G313 PolarHBondContact N-O 3.21Å; W302-G313 PolarHBondContact O-N 2.74Å; G313-M326 CarbonylContact C-O 3.56Å; G313-M326 WeakPolarHBondContact CA-O 3.43Å
314	L	97.2	Very high	90.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.7	178.6	-69.3	166.5	0	0	0	109.7	A260 L268 L270 I289 L299 W301 I325 M326 V328	A260-L314 HydrophobicContact CB-CD1 4.03Å; A260-L314 HydrophobicContact CB-CD2 3.55Å; A260-L314 HydrophobicContact CB-CG 4.46Å; L268-L314 HydrophobicContact CB-CD1 4.25Å; L268-L314 HydrophobicContact CD1-CB 3.98Å; L268-L314 HydrophobicContact CD1-CD1 3.76Å; L268-L314 HydrophobicContact CD2-CD1 4.19Å; L268-L314 HydrophobicContact CG-CD1 4.3Å; L270-L314 HydrophobicContact CD2-CD1 3.93Å; I289-L314 HydrophobicContact CD1-CD1 4.41Å; L299-L314 HydrophobicContact CD1-CB 4.27Å; L299-L314 HydrophobicContact CD1-CD2 4.24Å; W301-L314 HydrophobicContact CD2-CD2 3.85Å; W301-L314 HydrophobicContact CE3-CD2 3.38Å; W301-L314 HydrophobicContact CE3-CG 4.49Å; W301-L314 HydrophobicContact CG-CD2 4.41Å; W301-L314 HydrophobicContact CZ3-CD2 3.79Å; L314-I325 CarbonylContact O-C 3.55Å; L314-I325 WeakPolarHBondContact O-CA 3.5Å; L314-M326 HydrophobicContact CB-CB 4.42Å; L314-M326 PolarHBondContact N-O 2.77Å; L314-M326 PolarHBondContact O-N 2.95Å; L314-V328 HydrophobicContact CD1-CG2 3.77Å; L314-V328 HydrophobicContact CG-CG2 3.74Å
315	I	97.4	Very high	90.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.7	175.4	-52.4	161.3	0	0	0	107.7	L299 A300 W302 V323 K324 I325 L345 I357 C359 I374	L299-I315 WeakPolarHBondContact CA-O 3.49Å; A300-I315 HydrophobicContact CB-CB 4.27Å; A300-I315 HydrophobicContact CB-CD1 4.2Å; A300-I315 PolarHBondContact N-O 2.86Å; A300-I315 PolarHBondContact O-N 3Å; W302-I315 HydrophobicContact CB-CD1 3.89Å; W302-I315 HydrophobicContact CB-CG1 4.07Å; I315-V323 HydrophobicContact CG2-CG1 3.49Å; I315-V323 VanDerWaalsContact CG2-CG1 3.49Å; I315-K324 CarbonylContact C-O 3.43Å; I315-K324 WeakPolarHBondContact CA-O 3.36Å; I315-I325 HydrophobicContact CG1-CD1 4.46Å; I315-I325 HydrophobicContact CG1-CG1 4.12Å; I315-L345 HydrophobicContact CG2-CD1 4.24Å; I315-I357 HydrophobicContact CB-CG2 4.38Å; I315-I357 HydrophobicContact CD1-CG2 4.41Å; I315-I357 HydrophobicContact CG2-CD1 4.13Å; I315-I357 HydrophobicContact CG2-CG2 3.94Å; I315-C359 HydrophobicContact CD1-CB 3.87Å; I315-I374 HydrophobicContact CD1-CD1 3.54Å; I315-I374 HydrophobicContact CD1-CG1 3.81Å; I315-I374 HydrophobicContact CD1-CG2 4.03Å; I315-I374 HydrophobicContact CG1-CD1 4.24Å
316	V	97.4	Very high	91	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.4	179.1	-174.8	0	0	0	0	108.9	L262 L268 V293 P296 L299 V323 K324 M326	L262-V316 HydrophobicContact CD1-CG1 3.98Å; L262-V316 HydrophobicContact CD2-CG1 4.08Å; L268-V316 HydrophobicContact CD1-CG2 3.82Å; L268-V316 HydrophobicContact CD2-CG2 4.16Å; L268-V316 HydrophobicContact CG-CG2 4.37Å; V293-V316 HydrophobicContact CB-CG1 4.04Å; V293-V316 HydrophobicContact CG1-CG1 4.1Å; V293-V316 HydrophobicContact CG2-CB 4.31Å; V293-V316 HydrophobicContact CG2-CG1 4.03Å; P296-V316 HydrophobicContact CB-CG1 4.35Å; L299-V316 HydrophobicContact CD1-CG2 4.19Å; V316-V323 WeakPolarHBondContact O-CA 3.23Å; V316-K324 PolarHBondContact N-O 3.03Å; V316-K324 PolarHBondContact O-N 3.22Å; V316-M326 HydrophobicContact CG2-CG 4.11Å
317	G	96.4	Very high	91.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	156.1	170	0	0	0	0	0	112.2	P296 S297 D298	P296-G317 WeakPolarHBondContact CA-O 2.96Å; S297-G317 PolarHBondContact N-O 2.92Å; S297-G317 VanDerWaalsContact OG-C 3.28Å; S297-G317 PolarHBondContact OG-O 3.49Å; D298-G317 PolarHBondContact O-N 3.47Å
318	S	95.4	Very high	92.2	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.7	177	-179.2	0	0	0	0	111.5	S294 R295 S297 V320 G321 P322 V354	S294-S318 PolarHBondContact O-OG 3.36Å; R295-S318 WeakPolarHBondContact O-CA 3.46Å; R295-S318 PolarHBondContact O-OG 3.41Å; S297-S318 VanDerWaalsContact OG-C 3.23Å; S297-S318 PolarHBondContact OG-N 3.21Å; S297-S318 PolarHBondContact OG-O 2.86Å; S318-V320 PolarHBondContact O-N 2.82Å; S318-V320 WeakPolarHBondContact OG-CB 3.38Å; S318-V320 WeakPolarHBondContact OG-CG2 3.37Å; S318-V320 PolarHBondContact OG-N 2.84Å; S318-G321 PolarHBondContact O-N 3.07Å; S318-G321 VanDerWaalsContact O-N 3.17Å; S318-P322 WeakPolarHBondContact CB-O 3.45Å; S318-P322 PolarHBondContact N-O 2.88Å; S318-P322 VanDerWaalsContact N-O 3.09Å; S318-V354 WeakPolarHBondContact O-CG2 3.35Å; S318-V354 PolarHBondContact O-N 2.97Å
319	E	94.4	Very high	92.9	Very high	92 Å²	92	23.2 Å²	23.2	43%	0.43	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.6	166.1	-63.6	-177.7	169.7	0	0	112.2	R295 G321 A353	R295-E319 HydrophobicContact CB-CB 4.02Å; R295-E319 HydrophobicContact CB-CG 4.28Å; R295-E319 IonicContact NE-OE2 3.41Å; R295-E319 PolarHBondContact O-N 2.99Å; E319-G321 VanDerWaalsContact C-N 3.34Å; E319-A353 HydrophobicContact CB-CB 4.41Å; E319-A353 WeakPolarHBondContact O-CA 3.42Å; E319-A353 PolarHBondContact O-N 2.9Å
320	V	92.8	Very high	93.2	Very high	16 Å²	16	17.8 Å²	17.8	10%	0.097	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.7	177.5	-165.7	0	0	0	0	111.5	S318 C349 D350 E351	S318-V320 PolarHBondContact O-N 2.82Å; S318-V320 WeakPolarHBondContact OG-CB 3.38Å; S318-V320 WeakPolarHBondContact OG-CG2 3.37Å; S318-V320 PolarHBondContact OG-N 2.84Å; V320-C349 HydrophobicContact CG1-CB 3.71Å; V320-C349 CarbonylContact O-C 3.55Å; V320-C349 WeakPolarHBondContact O-CA 3.39Å; V320-D350 PolarHBondContact O-N 3.16Å; V320-E351 PolarHBondContact O-N 3.48Å
321	G	90.1	Very high	92.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	123	-35	178.3	0	0	0	0	0	118.8	S318 E319 E348 V354	S318-G321 PolarHBondContact O-N 3.07Å; S318-G321 VanDerWaalsContact O-N 3.17Å; E319-G321 VanDerWaalsContact C-N 3.34Å; G321-E348 CarbonylContact C-O 3.56Å; G321-V354 WeakPolarHBondContact O-CG2 3.47Å
322	P	92.8	Very high	92.5	Very high	16 Å²	16	25.4 Å²	25.4	10%	0.104	14%	0.139	C	C	.	.			trans	-63.8	151.4	-178.1	-26.8	35.2	0	0	0	113.5	S318 W346 E348 C349	S318-P322 WeakPolarHBondContact CB-O 3.45Å; S318-P322 PolarHBondContact N-O 2.88Å; S318-P322 VanDerWaalsContact N-O 3.09Å; P322-W346 WeakPolarHBondContact CA-O 3.26Å; P322-E348 WeakPolarHBondContact CD-O 3.5Å; P322-C349 WeakPolarHBondContact CG-SG 3.47Å
323	V	95.4	Very high	92.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.5	173.7	-174.8	0	0	0	0	110.4	I315 V316 L345 W346 V354 I357	I315-V323 HydrophobicContact CG2-CG1 3.49Å; I315-V323 VanDerWaalsContact CG2-CG1 3.49Å; V316-V323 WeakPolarHBondContact O-CA 3.23Å; V323-L345 HydrophobicContact CB-CB 4.38Å; V323-L345 HydrophobicContact CG1-CB 4.44Å; V323-L345 HydrophobicContact CG1-CD1 4.09Å; V323-L345 PolarHBondContact O-N 3Å; V323-W346 HydrophobicContact CB-CE3 3.54Å; V323-W346 HydrophobicContact CB-CZ3 4.12Å; V323-W346 HydrophobicContact CG1-CE3 4.04Å; V323-W346 HydrophobicContact CG1-CZ3 4.11Å; V323-W346 HydrophobicContact CG2-CE3 3.51Å; V323-W346 HydrophobicContact CG2-CZ3 4.1Å; V323-W346 PolarHBondContact N-O 3.15Å; V323-W346 PolarHBondContact O-N 2.82Å; V323-V354 HydrophobicContact CG2-CB 4.23Å; V323-V354 HydrophobicContact CG2-CG1 3.74Å; V323-V354 HydrophobicContact CG2-CG2 3.67Å; V323-I357 HydrophobicContact CG1-CD1 4.36Å
324	K	95.3	Very high	91.6	Very high	52 Å²	52	34.2 Å²	34.2	23%	0.226	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.8	-176.8	-58.3	-177.1	-173.7	169.5	0	111.4	V293 I315 V316 M326 V343 I344	V293-K324 HydrophobicContact CG2-CD 3.95Å; V293-K324 HydrophobicContact CG2-CG 4.39Å; I315-K324 CarbonylContact C-O 3.43Å; I315-K324 WeakPolarHBondContact CA-O 3.36Å; V316-K324 PolarHBondContact N-O 3.03Å; V316-K324 PolarHBondContact O-N 3.22Å; K324-M326 HydrophobicContact CB-SD 4.46Å; K324-V343 CarbonylContact C-O 3.54Å; K324-V343 VanDerWaalsContact CA-O 3.3Å; K324-V343 WeakPolarHBondContact CA-O 3.49Å; K324-I344 HydrophobicContact CD-CG1 4.45Å; K324-I344 HydrophobicContact CG-CG1 4.26Å
325	I	96.1	Very high	90.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.1	167	-47.8	-172.5	0	0	0	108.3	W302 L314 I315 L339 P342 V343 L345 I374 L387	W302-I325 HydrophobicContact CE3-CD1 4.43Å; W302-I325 HydrophobicContact CE3-CG2 3.87Å; W302-I325 HydrophobicContact CZ3-CG2 4.29Å; L314-I325 CarbonylContact O-C 3.55Å; L314-I325 WeakPolarHBondContact O-CA 3.5Å; I315-I325 HydrophobicContact CG1-CD1 4.46Å; I315-I325 HydrophobicContact CG1-CG1 4.12Å; I325-L339 HydrophobicContact CG2-CD1 4.07Å; I325-P342 CarbonylContact O-C 3.58Å; I325-P342 VanDerWaalsContact O-CA 3.25Å; I325-P342 WeakPolarHBondContact O-CA 3.35Å; I325-V343 HydrophobicContact CB-CB 4.14Å; I325-V343 HydrophobicContact CG1-CB 4.45Å; I325-V343 PolarHBondContact N-O 3.42Å; I325-V343 PolarHBondContact O-N 2.86Å; I325-L345 HydrophobicContact CD1-CD1 4.06Å; I325-L345 HydrophobicContact CD1-CD2 3.87Å; I325-L345 HydrophobicContact CD1-CG 4.21Å; I325-L345 HydrophobicContact CG1-CD1 3.87Å; I325-L345 HydrophobicContact CG1-CD2 4.08Å; I325-L345 HydrophobicContact CG1-CG 3.93Å; I325-I374 HydrophobicContact CD1-CD1 4.09Å; I325-L387 HydrophobicContact CD1-CD1 3.73Å
326	M	96.3	Very high	90.3	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.9	174.6	-57.7	-52.6	-57.2	0	0	110.3	L268 I289 G313 L314 V316 K324 P342	L268-M326 HydrophobicContact CD1-CB 3.98Å; L268-M326 HydrophobicContact CD1-CG 3.86Å; I289-M326 HydrophobicContact CG2-CB 4.32Å; I289-M326 HydrophobicContact CG2-CE 4.21Å; G313-M326 CarbonylContact C-O 3.56Å; G313-M326 WeakPolarHBondContact CA-O 3.43Å; L314-M326 HydrophobicContact CB-CB 4.42Å; L314-M326 PolarHBondContact N-O 2.77Å; L314-M326 PolarHBondContact O-N 2.95Å; V316-M326 HydrophobicContact CG2-CG 4.11Å; K324-M326 HydrophobicContact CB-SD 4.46Å; M326-P342 HydrophobicContact CE-CB 4.09Å; M326-P342 HydrophobicContact CE-CG 3.73Å; M326-P342 HydrophobicContact SD-CB 3.97Å; M326-P342 HydrophobicContact SD-CG 4.28Å
327	P	93.2	Very high	89.7	Confident	29 Å²	29	39.8 Å²	39.8	19%	0.188	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.5	178.4	28.3	-34.1	0	0	0	111.2	T338 L339	P327-T338 HydrophobicContact CB-CG2 4.03Å; P327-L339 HydrophobicContact CB-CB 3.94Å; P327-L339 VanDerWaalsContact CB-O 3.22Å; P327-L339 WeakPolarHBondContact CB-O 3.33Å
328	V	92.6	Very high	89.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.			trans	-112.1	130.4	171.1	179.9	0	0	0	0	109.6	L270 I289 W301 L314 L330 Y336 T338	L270-V328 HydrophobicContact CD1-CG1 3.88Å; I289-V328 HydrophobicContact CD1-CG2 4.04Å; W301-V328 HydrophobicContact CH2-CG1 4.42Å; W301-V328 HydrophobicContact CZ2-CG1 4.48Å; L314-V328 HydrophobicContact CD1-CG2 3.77Å; L314-V328 HydrophobicContact CG-CG2 3.74Å; V328-L330 HydrophobicContact CG1-CD2 3.89Å; V328-L330 HydrophobicContact CG1-CG 4.21Å; V328-Y336 WeakPolarHBondContact O-CE1 3.09Å; V328-T338 VanDerWaalsContact O-CG2 3.26Å; V328-T338 WeakPolarHBondContact O-CG2 3.46Å; V328-T338 PolarHBondContact O-OG1 3.39Å; V328-T338 VanDerWaalsContact O-OG1 3.07Å
329	S	88.6	Confident	88.7	Confident	59 Å²	59	43.2 Å²	43.2	41%	0.413	24%	0.238	S	C	.	.			trans	-98.6	113.7	179.2	-167	0	0	0	0	112.2	Y286 T338	Y286-S329 PolarHBondContact OH-O 3.3Å; S329-T338 WeakPolarHBondContact CA-OG1 3.3Å
330	L	87.4	Confident	88.3	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.262	C	S	.	.			trans	-116.9	65	176.1	-53.4	-174.6	0	0	0	111.1	Y240 L258 Y286 V328 K332 V333 Y336	Y240-L330 HydrophobicContact CD1-CD1 4.21Å; Y240-L330 HydrophobicContact CD2-CD1 4.08Å; Y240-L330 HydrophobicContact CE1-CD1 3.79Å; Y240-L330 HydrophobicContact CE2-CD1 3.61Å; Y240-L330 HydrophobicContact CG-CD1 4.34Å; Y240-L330 VanDerWaalsContact CZ-CD1 3.46Å; L258-L330 HydrophobicContact CD1-CD1 4.45Å; L258-L330 HydrophobicContact CD1-CD2 3.5Å; Y286-L330 HydrophobicContact CE1-CD2 3.86Å; Y286-L330 WeakPolarHBondContact OH-CD2 3.49Å; V328-L330 HydrophobicContact CG1-CD2 3.89Å; V328-L330 HydrophobicContact CG1-CG 4.21Å; L330-K332 PolarHBondContact O-N 2.99Å; L330-K332 VanDerWaalsContact O-N 3.12Å; L330-V333 HydrophobicContact CB-CB 4.13Å; L330-V333 HydrophobicContact CB-CG2 3.86Å; L330-V333 HydrophobicContact CD1-CG2 4.27Å; L330-V333 PolarHBondContact O-N 2.92Å; L330-Y336 HydrophobicContact CB-CD1 3.67Å; L330-Y336 HydrophobicContact CB-CD2 4.17Å; L330-Y336 HydrophobicContact CB-CE1 3.84Å; L330-Y336 HydrophobicContact CB-CE2 4.34Å; L330-Y336 HydrophobicContact CB-CG 3.82Å; L330-Y336 HydrophobicContact CD1-CD2 3.89Å; L330-Y336 HydrophobicContact CD1-CE1 4.2Å; L330-Y336 HydrophobicContact CD1-CE2 3.48Å; L330-Y336 VanDerWaalsContact CD1-CE2 3.48Å; L330-Y336 HydrophobicContact CD1-CG 4.39Å; L330-Y336 HydrophobicContact CG-CD1 4.18Å; L330-Y336 HydrophobicContact CG-CD2 4.38Å; L330-Y336 HydrophobicContact CG-CE1 3.83Å; L330-Y336 HydrophobicContact CG-CE2 4.06Å; L330-Y336 HydrophobicContact CG-CG 4.42Å
331	S	79.6	Confident	88.1	Confident	103 Å²	103	56.1 Å²	56.1	72%	0.72	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.3	-174.9	57.9	0	0	0	0	114.8
332	K	81.9	Confident	88.2	Confident	154 Å²	154	59.1 Å²	59.1	67%	0.67	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.2	179.6	-62	-175.2	-179.4	179.8	0	113.9	I242 L330	I242-K332 HydrophobicContact CG2-CB 4.09Å; L330-K332 PolarHBondContact O-N 2.99Å; L330-K332 VanDerWaalsContact O-N 3.12Å
333	V	82.8	Confident	88.2	Confident	11 Å²	11	59.4 Å²	59.4	7%	0.067	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-91.1	122.4	-179.1	179.8	0	0	0	0	109.1	Y240 I242 M256 L330 G335 Y336	Y240-V333 HydrophobicContact CD1-CG1 4.03Å; Y240-V333 HydrophobicContact CD1-CG2 4.28Å; Y240-V333 HydrophobicContact CG-CG2 4.17Å; I242-V333 HydrophobicContact CG2-CG2 3.79Å; M256-V333 HydrophobicContact CE-CG2 4.26Å; L330-V333 HydrophobicContact CB-CB 4.13Å; L330-V333 HydrophobicContact CB-CG2 3.86Å; L330-V333 HydrophobicContact CD1-CG2 4.27Å; L330-V333 PolarHBondContact O-N 2.92Å; V333-G335 PolarHBondContact O-N 3.42Å; V333-Y336 HydrophobicContact CG1-CD2 4.48Å; V333-Y336 WeakPolarHBondContact O-CB 3.47Å; V333-Y336 PolarHBondContact O-N 2.87Å
334	K	80.2	Confident	88.1	Confident	174 Å²	174	64 Å²	64	76%	0.757	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	128.4	-177.9	-172.3	-178.6	179.1	-174.8	0	110.7	Y336	K334-Y336 VanDerWaalsContact C-N 3.3Å; K334-Y336 PolarHBondContact O-N 2.8Å
335	G	80.6	Confident	88	Confident	37 Å²	37	61.8 Å²	61.8	38%	0.381	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	13.8	176.5	0	0	0	0	0	114.5	Q309 R310 V333	Q309-G335 WeakPolarHBondContact CA-O 3.35Å; R310-G335 PolarHBondContact N-O 3.24Å; V333-G335 PolarHBondContact O-N 3.42Å
336	Y	86.6	Confident	87.9	Confident	27 Å²	27	62.2 Å²	62.2	11%	0.106	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125	177.3	-164.8	-85.8	0	0	0	111.8	Y240 R310 G312 V328 L330 V333 K334	Y240-Y336 HydrophobicContact CE1-CD2 4.44Å; Y240-Y336 HydrophobicContact CE1-CE2 4.23Å; R310-Y336 HydrophobicContact CB-CD2 3.89Å; R310-Y336 HydrophobicContact CB-CE2 4.49Å; R310-Y336 CarbonylContact O-C 3.54Å; R310-Y336 WeakPolarHBondContact O-CA 3.46Å; G312-Y336 WeakPolarHBondContact CA-OH 3.09Å; G312-Y336 PolarHBondContact N-OH 3.16Å; G312-Y336 VanDerWaalsContact N-OH 3.1Å; G312-Y336 PolarHBondContact O-OH 3.36Å; V328-Y336 WeakPolarHBondContact O-CE1 3.09Å; L330-Y336 HydrophobicContact CB-CD1 3.67Å; L330-Y336 HydrophobicContact CB-CD2 4.17Å; L330-Y336 HydrophobicContact CB-CE1 3.84Å; L330-Y336 HydrophobicContact CB-CE2 4.34Å; L330-Y336 HydrophobicContact CB-CG 3.82Å; L330-Y336 HydrophobicContact CD1-CD2 3.89Å; L330-Y336 HydrophobicContact CD1-CE1 4.2Å; L330-Y336 HydrophobicContact CD1-CE2 3.48Å; L330-Y336 VanDerWaalsContact CD1-CE2 3.48Å; L330-Y336 HydrophobicContact CD1-CG 4.39Å; L330-Y336 HydrophobicContact CG-CD1 4.18Å; L330-Y336 HydrophobicContact CG-CD2 4.38Å; L330-Y336 HydrophobicContact CG-CE1 3.83Å; L330-Y336 HydrophobicContact CG-CE2 4.06Å; L330-Y336 HydrophobicContact CG-CG 4.42Å; V333-Y336 HydrophobicContact CG1-CD2 4.48Å; V333-Y336 WeakPolarHBondContact O-CB 3.47Å; V333-Y336 PolarHBondContact O-N 2.87Å; K334-Y336 VanDerWaalsContact C-N 3.3Å; K334-Y336 PolarHBondContact O-N 2.8Å
337	C	84.5	Confident	87.6	Confident	53 Å²	53	69.4 Å²	69.4	36%	0.358	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.3	176.7	-65.2	0	0	0	0	109.6	R310 M311	R310-C337 PolarHBondContact O-N 3.35Å; M311-C337 WeakPolarHBondContact CA-O 3.4Å; M311-C337 HydrophobicContact CE-CB 3.9Å; M311-C337 WeakPolarHBondContact CG-O 3.43Å
338	T	86.5	Confident	87.4	Confident	53 Å²	53	72.3 Å²	72.3	33%	0.325	37%	0.37	S	S	.	.			trans	-104	139	178.4	-60.3	0	0	0	0	110.7	P327 V328 S329	P327-T338 HydrophobicContact CB-CG2 4.03Å; V328-T338 VanDerWaalsContact O-CG2 3.26Å; V328-T338 WeakPolarHBondContact O-CG2 3.46Å; V328-T338 PolarHBondContact O-OG1 3.39Å; V328-T338 VanDerWaalsContact O-OG1 3.07Å; S329-T338 WeakPolarHBondContact CA-OG1 3.3Å
339	L	86.1	Confident	87.3	Confident	22 Å²	22	76.4 Å²	76.4	12%	0.115	40%	0.397	C	S	.	.			trans	-61.3	137.4	170.2	-71	176	0	0	0	110.3	W302 M311 I325 P327 V343 L394	W302-L339 HydrophobicContact CH2-CD1 4.35Å; W302-L339 HydrophobicContact CZ3-CD1 3.63Å; W302-L339 HydrophobicContact CZ3-CG 4.18Å; M311-L339 HydrophobicContact SD-CD2 3.65Å; M311-L339 HydrophobicContact SD-CG 4.1Å; I325-L339 HydrophobicContact CG2-CD1 4.07Å; P327-L339 HydrophobicContact CB-CB 3.94Å; P327-L339 VanDerWaalsContact CB-O 3.22Å; P327-L339 WeakPolarHBondContact CB-O 3.33Å; L339-V343 HydrophobicContact CD1-CG2 4.01Å; L339-L394 HydrophobicContact CD2-CD2 4.33Å
340	R	84.9	Confident	87.3	Confident	245 Å²	245	76.9 Å²	76.9	93%	0.925	40%	0.395	S	S	*	.	S	Bend	trans	-73.5	-37.1	-179	-69.4	-175.3	179.1	178.9	0.3	113.1
341	L	88.8	Confident	87.5	Confident	133 Å²	133	82.6 Å²	82.6	70%	0.696	42%	0.422	S	S	*	.	S	Bend	trans	-133.5	153.8	-177.1	-68.1	173.4	0	0	0	109.8
342	P	92.6	Very high	88	Confident	63 Å²	63	80.9 Å²	80.9	41%	0.409	40%	0.404	S	S	.	.			trans	-56.5	141.1	168	-22.2	33.6	0	0	0	111.4	I325 M326	I325-P342 CarbonylContact O-C 3.58Å; I325-P342 VanDerWaalsContact O-CA 3.25Å; I325-P342 WeakPolarHBondContact O-CA 3.35Å; M326-P342 HydrophobicContact CE-CB 4.09Å; M326-P342 HydrophobicContact CE-CG 3.73Å; M326-P342 HydrophobicContact SD-CB 3.97Å; M326-P342 HydrophobicContact SD-CG 4.28Å
343	V	93.4	Very high	88.5	Confident	23 Å²	23	75 Å²	75	14%	0.139	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.4	-178.6	176.4	0	0	0	0	108.7	K324 I325 L339 L345 L394 I396	K324-V343 CarbonylContact C-O 3.54Å; K324-V343 VanDerWaalsContact CA-O 3.3Å; K324-V343 WeakPolarHBondContact CA-O 3.49Å; I325-V343 HydrophobicContact CB-CB 4.14Å; I325-V343 HydrophobicContact CG1-CB 4.45Å; I325-V343 PolarHBondContact N-O 3.42Å; I325-V343 PolarHBondContact O-N 2.86Å; L339-V343 HydrophobicContact CD1-CG2 4.01Å; V343-L345 HydrophobicContact CG1-CD2 4.22Å; V343-L394 HydrophobicContact CG1-CD2 4.31Å; V343-L394 HydrophobicContact CG2-CD2 4.02Å; V343-I396 HydrophobicContact CG1-CD1 3.17Å; V343-I396 HydrophobicContact CG1-CG1 4.49Å
344	I	93.2	Very high	89	Confident	97 Å²	97	74.4 Å²	74.4	50%	0.497	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.2	178.6	-55.9	173.6	0	0	0	108.3	K324 K347	K324-I344 HydrophobicContact CD-CG1 4.45Å; K324-I344 HydrophobicContact CG-CG1 4.26Å; I344-K347 HydrophobicContact CG2-CB 3.88Å
345	L	92.5	Very high	89.6	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.021	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-45.6	178.6	-60.2	-176.4	0	0	0	111.7	I315 V323 I325 V343 I374 L387 I396 N398	I315-L345 HydrophobicContact CG2-CD1 4.24Å; V323-L345 HydrophobicContact CB-CB 4.38Å; V323-L345 HydrophobicContact CG1-CB 4.44Å; V323-L345 HydrophobicContact CG1-CD1 4.09Å; V323-L345 PolarHBondContact O-N 3Å; I325-L345 HydrophobicContact CD1-CD1 4.06Å; I325-L345 HydrophobicContact CD1-CD2 3.87Å; I325-L345 HydrophobicContact CD1-CG 4.21Å; I325-L345 HydrophobicContact CG1-CD1 3.87Å; I325-L345 HydrophobicContact CG1-CD2 4.08Å; I325-L345 HydrophobicContact CG1-CG 3.93Å; V343-L345 HydrophobicContact CG1-CD2 4.22Å; L345-I374 HydrophobicContact CD1-CD1 3.71Å; L345-I374 HydrophobicContact CD1-CG2 4.33Å; L345-L387 HydrophobicContact CD2-CD2 4.16Å; L345-I396 HydrophobicContact CD2-CG2 4.16Å; L345-N398 PolarHBondContact O-ND2 3.14Å
346	W	92.9	Very high	90.2	Very high	10 Å²	10	67.6 Å²	67.6	4%	0.038	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.2	174.4	-61.3	-72.5	0	0	0	107.8	P322 V323 I374 A376 F383 C385 N398	P322-W346 WeakPolarHBondContact CA-O 3.26Å; V323-W346 HydrophobicContact CB-CE3 3.54Å; V323-W346 HydrophobicContact CB-CZ3 4.12Å; V323-W346 HydrophobicContact CG1-CE3 4.04Å; V323-W346 HydrophobicContact CG1-CZ3 4.11Å; V323-W346 HydrophobicContact CG2-CE3 3.51Å; V323-W346 HydrophobicContact CG2-CZ3 4.1Å; V323-W346 PolarHBondContact N-O 3.15Å; V323-W346 PolarHBondContact O-N 2.82Å; W346-I374 HydrophobicContact CH2-CG2 4.41Å; W346-A376 HydrophobicContact CZ3-CB 4.17Å; W346-F383 AromaticContact CD1-CD1 3.96Å; W346-F383 HydrophobicContact CG-CD1 4.49Å; W346-F383 HydrophobicContact CH2-CB 4.13Å; W346-F383 HydrophobicContact CZ2-CB 3.72Å; W346-F383 AromaticContact NE1-CD1 3.66Å; W346-C385 HydrophobicContact CH2-CB 3.83Å; W346-C385 HydrophobicContact CZ2-CB 3.72Å; W346-N398 HydrophobicContact CZ2-CB 4.4Å
347	K	91.5	Very high	90.6	Very high	158 Å²	158	66.4 Å²	66.4	69%	0.687	34%	0.336	S	S	*	.			trans	-107.8	-14.3	-172	64.9	177	180	-179.1	0	112.8	I344	I344-K347 HydrophobicContact CG2-CB 3.88Å
348	E	88.7	Confident	91.1	Very high	91 Å²	91	65.1 Å²	65.1	43%	0.425	32%	0.324	S	S	.	.			trans	-69.6	130	-172.7	-64.2	70.4	-154.8	0	0	110.5	G321 P322	G321-E348 CarbonylContact C-O 3.56Å; P322-E348 WeakPolarHBondContact CD-O 3.5Å
349	C	89.4	Confident	91.4	Very high	86 Å²	86	64.1 Å²	64.1	58%	0.581	32%	0.319	S	S	*	.			trans	-105	84.4	174.3	-67.1	0	0	0	0	108.4	V320 P322	V320-C349 HydrophobicContact CG1-CB 3.71Å; V320-C349 CarbonylContact O-C 3.55Å; V320-C349 WeakPolarHBondContact O-CA 3.39Å; P322-C349 WeakPolarHBondContact CG-SG 3.47Å
350	D	89.3	Confident	91.6	Very high	69 Å²	69	63.3 Å²	63.3	37%	0.369	32%	0.315	S	S	.	.			trans	-104.7	7.7	-176.4	59.2	26.4	0	0	0	112.7	V320 I352 R378	V320-D350 PolarHBondContact O-N 3.16Å; D350-I352 PolarHBondContact O-N 2.83Å; D350-I352 WeakPolarHBondContact OD1-CA 3.34Å; D350-I352 VanDerWaalsContact OD1-CB 3.25Å; D350-I352 WeakPolarHBondContact OD1-CB 3.14Å; D350-I352 WeakPolarHBondContact OD1-CG1 3.41Å; D350-I352 PolarHBondContact OD1-N 2.79Å; D350-R378 IonicContact OD1-CZ 2.71Å; D350-R378 IonicContact OD1-NH2 2.67Å; D350-R378 PolarHBondContact OD1-NH2 3.01Å; D350-R378 IonicContact OD2-CZ 3.99Å; D350-R378 IonicContact OD2-NH1 2.72Å; D350-R378 PolarHBondContact OD2-NH1 3.25Å; D350-R378 IonicContact OD2-NH2 3.03Å; D350-R378 PolarHBondContact OD2-NH2 3.47Å
351	E	91.3	Very high	91.9	Very high	122 Å²	122	55.8 Å²	55.8	57%	0.57	30%	0.298	S	S	*	.	S	Bend	trans	61.7	18.1	-177	-58.2	-68.1	158	0	0	114.2	R295 V320	R295-E351 IonicContact CZ-OE2 3.94Å; R295-E351 IonicContact NH1-OE2 3.65Å; R295-E351 IonicContact NH2-OE1 2.82Å; R295-E351 IonicContact NH2-OE2 3.77Å; R295-E351 PolarHBondContact NH2-OE2 3.4Å; V320-E351 PolarHBondContact O-N 3.48Å
352	I	90.5	Very high	91.9	Very high	66 Å²	66	50 Å²	50	34%	0.338	27%	0.268	S	S	.	.			trans	-98.6	112.6	170.8	-52.6	174.7	0	0	0	108.7	D350 V354 R378	D350-I352 PolarHBondContact O-N 2.83Å; D350-I352 WeakPolarHBondContact OD1-CA 3.34Å; D350-I352 VanDerWaalsContact OD1-CB 3.25Å; D350-I352 WeakPolarHBondContact OD1-CB 3.14Å; D350-I352 WeakPolarHBondContact OD1-CG1 3.41Å; D350-I352 PolarHBondContact OD1-N 2.79Å; I352-V354 PolarHBondContact O-N 3.45Å; I352-R378 HydrophobicContact CG2-CB 3.91Å; I352-R378 PolarHBondContact O-NE 2.81Å; I352-R378 PolarHBondContact O-NH2 2.78Å
353	A	92.3	Very high	91.7	Very high	30 Å²	30	52.6 Å²	52.6	25%	0.248	28%	0.277	C	S	.	.			trans	-57.8	136.6	-178.5	0	0	0	0	0	112.6	E319	E319-A353 HydrophobicContact CB-CB 4.41Å; E319-A353 WeakPolarHBondContact O-CA 3.42Å; E319-A353 PolarHBondContact O-N 2.9Å
354	V	94.3	Very high	91.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122	172.4	-177.4	0	0	0	0	109.2	S297 S318 G321 V323 I352 I357 A376 R378	S297-V354 WeakPolarHBondContact CB-O 3.43Å; S297-V354 PolarHBondContact OG-O 2.71Å; S318-V354 WeakPolarHBondContact O-CG2 3.35Å; S318-V354 PolarHBondContact O-N 2.97Å; G321-V354 WeakPolarHBondContact O-CG2 3.47Å; V323-V354 HydrophobicContact CG2-CB 4.23Å; V323-V354 HydrophobicContact CG2-CG1 3.74Å; V323-V354 HydrophobicContact CG2-CG2 3.67Å; I352-V354 PolarHBondContact O-N 3.45Å; V354-I357 HydrophobicContact CG1-CD1 3.87Å; V354-I357 HydrophobicContact CG1-CG1 3.89Å; V354-A376 HydrophobicContact CG1-CB 3.87Å; V354-R378 HydrophobicContact CG2-CG 4.21Å
355	E	92.4	Very high	90.8	Very high	67 Å²	67	50.6 Å²	50.6	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	164.9	179.2	-61.1	-175.6	174.1	0	0	111	I357 S377	E355-I357 PolarHBondContact O-N 3.24Å; E355-S377 VanDerWaalsContact C-OG 3.23Å; E355-S377 PolarHBondContact N-O 3.31Å; E355-S377 PolarHBondContact O-N 3.35Å; E355-S377 PolarHBondContact O-OG 3.07Å
356	N	92.1	Very high	90.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	51.1	48.3	172.9	-61.9	-73.6	0	0	0	115	Q54 D298 R358 S377 V410 L412	Q54-N356 VanDerWaalsContact CD-OD1 3.26Å; Q54-N356 WeakPolarHBondContact CG-OD1 3.35Å; Q54-N356 PolarHBondContact NE2-OD1 3.37Å; Q54-N356 VanDerWaalsContact NE2-OD1 3.1Å; D298-N356 VanDerWaalsContact OD2-CA 3.26Å; D298-N356 WeakPolarHBondContact OD2-CA 3.36Å; D298-N356 PolarHBondContact OD2-N 3.15Å; N356-R358 PolarHBondContact O-N 3.22Å; N356-S377 WeakPolarHBondContact CB-OG 3.39Å; N356-S377 PolarHBondContact ND2-OG 2.62Å; N356-V410 PolarHBondContact ND2-O 3.23Å; N356-L412 HydrophobicContact CB-CB 4Å; N356-L412 HydrophobicContact CB-CD1 3.98Å; N356-L412 HydrophobicContact CB-CG 3.89Å; N356-L412 WeakPolarHBondContact O-CD1 3.46Å
357	I	95.6	Very high	89.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.3	176.1	-54.6	178.8	0	0	0	109.4	D298 A300 I315 V323 V354 E355 I374 L375 A376	D298-I357 HydrophobicContact CB-CD1 4.1Å; D298-I357 HydrophobicContact CB-CG1 4.1Å; D298-I357 PolarHBondContact OD2-N 2.84Å; A300-I357 HydrophobicContact CB-CB 4.02Å; A300-I357 HydrophobicContact CB-CG2 3.55Å; I315-I357 HydrophobicContact CB-CG2 4.38Å; I315-I357 HydrophobicContact CD1-CG2 4.41Å; I315-I357 HydrophobicContact CG2-CD1 4.13Å; I315-I357 HydrophobicContact CG2-CG2 3.94Å; V323-I357 HydrophobicContact CG1-CD1 4.36Å; V354-I357 HydrophobicContact CG1-CD1 3.87Å; V354-I357 HydrophobicContact CG1-CG1 3.89Å; E355-I357 PolarHBondContact O-N 3.24Å; I357-I374 HydrophobicContact CG2-CG2 4.23Å; I357-L375 CarbonylContact C-O 3.34Å; I357-L375 VanDerWaalsContact CA-O 3.28Å; I357-L375 WeakPolarHBondContact CA-O 3.43Å; I357-A376 HydrophobicContact CG1-CB 4.1Å
358	R	94.3	Very high	89.3	Confident	27 Å²	27	59.7 Å²	59.7	10%	0.102	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.9	175.4	-63.6	-66.8	174.3	-104.7	-0.3	109.4	R57 N356 I374 L375 L412 V414	R57-R358 VanDerWaalsContact CZ-CZ 3.44Å; R57-R358 VanDerWaalsContact NH1-CZ 3.33Å; R57-R358 VanDerWaalsContact NH2-CZ 3.33Å; N356-R358 PolarHBondContact O-N 3.22Å; R358-I374 CarbonylContact O-C 3.59Å; R358-I374 WeakPolarHBondContact O-CA 3.38Å; R358-L375 PolarHBondContact N-O 2.87Å; R358-L375 PolarHBondContact O-N 2.93Å; R358-L412 HydrophobicContact CG-CB 4.11Å; R358-L412 PolarHBondContact NE-O 3.17Å; R358-V414 HydrophobicContact CB-CG2 3.92Å; R358-V414 HydrophobicContact CG-CG2 4.17Å
359	C	93	Very high	89	Confident	32 Å²	32	58.1 Å²	58.1	22%	0.216	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.3	174.6	-173.4	0	0	0	0	109.3	I315 L373 I374	I315-C359 HydrophobicContact CD1-CB 3.87Å; C359-L373 WeakPolarHBondContact CA-O 3.27Å; C359-I374 HydrophobicContact CB-CG1 4.22Å
360	F	91.6	Very high	88.9	Confident	5 Å²	5	55.8 Å²	55.8	2%	0.022	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.4	176.3	53.9	-83.3	0	0	0	111.3	V362 L373 L375 V414 V419 V421	F360-V362 HydrophobicContact CD2-CG2 3.62Å; F360-V362 HydrophobicContact CE2-CG2 3.59Å; F360-L373 HydrophobicContact CE2-CB 4.16Å; F360-L373 HydrophobicContact CE2-CD2 3.99Å; F360-L373 HydrophobicContact CE2-CG 4.5Å; F360-L373 HydrophobicContact CZ-CB 4.17Å; F360-L373 HydrophobicContact CZ-CD2 3.67Å; F360-L373 HydrophobicContact CZ-CG 4.1Å; F360-L373 PolarHBondContact N-O 2.78Å; F360-L373 VanDerWaalsContact N-O 3.09Å; F360-L373 PolarHBondContact O-N 3.33Å; F360-L375 HydrophobicContact CE1-CD1 3.76Å; F360-L375 HydrophobicContact CE1-CG 4.42Å; F360-L375 HydrophobicContact CZ-CD1 4.1Å; F360-V414 HydrophobicContact CB-CG1 4.36Å; F360-V414 HydrophobicContact CD1-CB 4.26Å; F360-V414 HydrophobicContact CD1-CG1 3.59Å; F360-V414 HydrophobicContact CD1-CG2 3.8Å; F360-V414 HydrophobicContact CD2-CG1 4.06Å; F360-V414 HydrophobicContact CE1-CB 4.42Å; F360-V414 HydrophobicContact CE1-CG1 3.74Å; F360-V414 HydrophobicContact CE1-CG2 3.76Å; F360-V414 HydrophobicContact CE2-CG1 4.19Å; F360-V414 HydrophobicContact CG-CG1 3.75Å; F360-V414 HydrophobicContact CZ-CG1 4.03Å; F360-V419 HydrophobicContact CE2-CG1 3.85Å; F360-V421 HydrophobicContact CE1-CG2 3.94Å; F360-V421 HydrophobicContact CZ-CG2 3.66Å
361	P	90.1	Very high	88.9	Confident	87 Å²	87	52.6 Å²	52.6	57%	0.565	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.8	176.6	30.9	-34.5	0	0	0	110.5	C371	P361-C371 WeakPolarHBondContact CA-O 3.41Å
362	V	89.5	Confident	88.9	Confident	11 Å²	11	46.9 Å²	46.9	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.7	172.3	-168.1	0	0	0	0	109.1	F360 C371 L373 V419 F437	F360-V362 HydrophobicContact CD2-CG2 3.62Å; F360-V362 HydrophobicContact CE2-CG2 3.59Å; V362-C371 PolarHBondContact N-O 3.28Å; V362-C371 CarbonylContact O-C 3.55Å; V362-C371 WeakPolarHBondContact O-CA 3.44Å; V362-C371 PolarHBondContact O-N 3.36Å; V362-L373 HydrophobicContact CG2-CB 4Å; V362-V419 HydrophobicContact CG1-CG1 3.87Å; V362-V419 HydrophobicContact CG1-CG2 4.45Å; V362-V419 HydrophobicContact CG2-CG1 3.8Å; V362-F437 HydrophobicContact CB-CZ 3.95Å; V362-F437 HydrophobicContact CG1-CE1 4.37Å; V362-F437 HydrophobicContact CG1-CE2 3.62Å; V362-F437 HydrophobicContact CG1-CZ 3.36Å; V362-F437 HydrophobicContact CG2-CZ 4.4Å
363	I	87.1	Confident	89	Confident	117 Å²	117	43.7 Å²	43.7	60%	0.6	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	123	172.1	-59.9	173.8	0	0	0	107.7	P365 T369	I363-P365 WeakPolarHBondContact O-CD 3.22Å; I363-T369 WeakPolarHBondContact CA-O 3.44Å
364	H	85	Confident	89.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.224	C	C	.	.			trans	-64.4	119.7	176	-164.8	-61.3	0	0	0	109.3	I366 H367 K368 T369 F437 T438	H364-I366 VanDerWaalsContact C-N 3.34Å; H364-I366 PolarHBondContact ND1-N 3.32Å; H364-I366 PolarHBondContact O-N 2.95Å; H364-H367 HydrophobicContact CB-CB 4.3Å; H364-H367 AromaticContact CD2-CD2 3.87Å; H364-H367 AromaticContact CE1-CD2 3.46Å; H364-H367 PolarHBondContact CE1-CD2 3.45Å; H364-H367 VanDerWaalsContact CE1-CD2 3.46Å; H364-H367 AromaticContact CG-CD2 3.88Å; H364-H367 AromaticContact ND1-CD2 3.62Å; H364-H367 PolarHBondContact ND1-N 3.19Å; H364-H367 AromaticContact NE2-CD2 3.61Å; H364-K368 WeakPolarHBondContact O-CA 3.44Å; H364-K368 PolarHBondContact O-N 2.65Å; H364-T369 PolarHBondContact N-O 3.4Å; H364-F437 AromaticContact CD2-CD1 3.99Å; H364-T438 PolarHBondContact CE1-O 3Å; H364-T438 VanDerWaalsContact CE1-O 3.23Å; H364-T438 PolarHBondContact NE2-O 3.19Å
365	P	83.5	Confident	89.2	Confident	77 Å²	77	42.3 Å²	42.3	50%	0.5	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-36.1	-172.4	23.3	-32.4	0	0	0	112.8	I363 F437	I363-P365 WeakPolarHBondContact O-CD 3.22Å; P365-F437 VanDerWaalsContact CD-CG 3.49Å; P365-F437 HydrophobicContact CG-CB 3.58Å; P365-F437 HydrophobicContact CG-CD2 4Å; P365-F437 HydrophobicContact CG-CG 3.99Å
366	I	81.5	Confident	89.4	Confident	88 Å²	88	39.1 Å²	39.1	45%	0.451	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-61.2	179	-54.3	174.3	0	0	0	111.3	H364 K368 E439	H364-I366 VanDerWaalsContact C-N 3.34Å; H364-I366 PolarHBondContact ND1-N 3.32Å; H364-I366 PolarHBondContact O-N 2.95Å; I366-K368 VanDerWaalsContact C-N 3.28Å; I366-K368 PolarHBondContact O-N 3.21Å; I366-E439 HydrophobicContact CD1-CG 4.03Å
367	H	79.9	Confident	89.4	Confident	100 Å²	100	39.1 Å²	39.1	46%	0.463	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.1	-176.5	-62.3	-61.9	0	0	0	114.5	H364 T369 E439	H364-H367 HydrophobicContact CB-CB 4.3Å; H364-H367 AromaticContact CD2-CD2 3.87Å; H364-H367 AromaticContact CE1-CD2 3.46Å; H364-H367 PolarHBondContact CE1-CD2 3.45Å; H364-H367 VanDerWaalsContact CE1-CD2 3.46Å; H364-H367 AromaticContact CG-CD2 3.88Å; H364-H367 AromaticContact ND1-CD2 3.62Å; H364-H367 PolarHBondContact ND1-N 3.19Å; H364-H367 AromaticContact NE2-CD2 3.61Å; H367-T369 HydrophobicContact CB-CG2 4.2Å; H367-T369 PolarHBondContact O-N 2.9Å; H367-T369 VanDerWaalsContact O-N 3.09Å; H367-E439 PolarHBondContact NE2-O 2.85Å; H367-E439 VanDerWaalsContact NE2-O 3.15Å
368	K	84	Confident	89.3	Confident	176 Å²	176	39.2 Å²	39.2	77%	0.765	21%	0.21	S	C	*	.			trans	53.3	25.1	-174.4	-58.9	-176.6	-179.7	178.7	0	113.8	H364 I366	H364-K368 WeakPolarHBondContact O-CA 3.44Å; H364-K368 PolarHBondContact O-N 2.65Å; I366-K368 VanDerWaalsContact C-N 3.28Å; I366-K368 PolarHBondContact O-N 3.21Å
369	T	82.8	Confident	89	Confident	58 Å²	58	39.5 Å²	39.5	36%	0.356	22%	0.221	S	C	.	.			trans	-94.2	150.4	177.9	49.9	0	0	0	0	110.6	I363 H364 H367	I363-T369 WeakPolarHBondContact CA-O 3.44Å; H364-T369 PolarHBondContact N-O 3.4Å; H367-T369 HydrophobicContact CB-CG2 4.2Å; H367-T369 PolarHBondContact O-N 2.9Å; H367-T369 VanDerWaalsContact O-N 3.09Å
370	S	86.2	Confident	88.9	Confident	36 Å²	36	39.5 Å²	39.5	25%	0.252	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.1	168.2	-62	0	0	0	0	109.1	Y304	Y304-S370 VanDerWaalsContact CE2-O 3.26Å; Y304-S370 WeakPolarHBondContact CE2-O 3.49Å
371	C	89.5	Confident	88.9	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166.6	176.2	-56.5	0	0	0	0	109.3	P361 V362 L386 L387 M388	P361-C371 WeakPolarHBondContact CA-O 3.41Å; V362-C371 PolarHBondContact N-O 3.28Å; V362-C371 CarbonylContact O-C 3.55Å; V362-C371 WeakPolarHBondContact O-CA 3.44Å; V362-C371 PolarHBondContact O-N 3.36Å; C371-L386 HydrophobicContact CB-CD1 3.81Å; C371-L387 WeakPolarHBondContact CA-O 3.46Å; C371-L387 WeakPolarHBondContact CB-O 3.41Å; C371-M388 HydrophobicContact CB-CG 4.41Å
372	S	91.8	Very high	89.1	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.1	172.8	-53.8	0	0	0	0	109.6	W302 L387	W302-S372 VanDerWaalsContact NE1-CB 3.29Å; W302-S372 PolarHBondContact NE1-OG 3.35Å; S372-L387 PolarHBondContact N-O 2.81Å; S372-L387 PolarHBondContact O-N 3.09Å
373	L	93.3	Very high	89.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.1	175.1	-174	59.5	0	0	0	108.6	C359 F360 V362 W384 P435 F444	C359-L373 WeakPolarHBondContact CA-O 3.27Å; F360-L373 HydrophobicContact CE2-CB 4.16Å; F360-L373 HydrophobicContact CE2-CD2 3.99Å; F360-L373 HydrophobicContact CE2-CG 4.5Å; F360-L373 HydrophobicContact CZ-CB 4.17Å; F360-L373 HydrophobicContact CZ-CD2 3.67Å; F360-L373 HydrophobicContact CZ-CG 4.1Å; F360-L373 PolarHBondContact N-O 2.78Å; F360-L373 VanDerWaalsContact N-O 3.09Å; F360-L373 PolarHBondContact O-N 3.33Å; V362-L373 HydrophobicContact CG2-CB 4Å; L373-W384 HydrophobicContact CD1-CE3 4.37Å; L373-P435 HydrophobicContact CD2-CB 4.14Å; L373-P435 HydrophobicContact CD2-CG 4.31Å; L373-F444 HydrophobicContact CD2-CE1 4.31Å; L373-F444 HydrophobicContact CD2-CZ 4.05Å
374	I	95.3	Very high	89.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.7	176.8	-60.4	170.7	0	0	0	107.9	I315 I325 L345 W346 I357 R358 C359 W384 C385 L387	I315-I374 HydrophobicContact CD1-CD1 3.54Å; I315-I374 HydrophobicContact CD1-CG1 3.81Å; I315-I374 HydrophobicContact CD1-CG2 4.03Å; I315-I374 HydrophobicContact CG1-CD1 4.24Å; I325-I374 HydrophobicContact CD1-CD1 4.09Å; L345-I374 HydrophobicContact CD1-CD1 3.71Å; L345-I374 HydrophobicContact CD1-CG2 4.33Å; W346-I374 HydrophobicContact CH2-CG2 4.41Å; I357-I374 HydrophobicContact CG2-CG2 4.23Å; R358-I374 CarbonylContact O-C 3.59Å; R358-I374 WeakPolarHBondContact O-CA 3.38Å; C359-I374 HydrophobicContact CB-CG1 4.22Å; I374-W384 CarbonylContact O-C 3.52Å; I374-W384 VanDerWaalsContact O-CA 3.27Å; I374-W384 WeakPolarHBondContact O-CA 3.5Å; I374-C385 HydrophobicContact CB-CB 4.27Å; I374-C385 PolarHBondContact N-O 3.49Å; I374-C385 PolarHBondContact O-N 2.9Å; I374-L387 HydrophobicContact CD1-CD1 3.48Å; I374-L387 VanDerWaalsContact CD1-CD1 3.48Å; I374-L387 HydrophobicContact CD1-CG 3.98Å; I374-L387 HydrophobicContact CG1-CD1 4.4Å
375	L	95.3	Very high	90.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.3	175.7	-62.7	169.7	0	0	0	109.5	I357 R358 F360 I382 F383 W384 V421 F444	I357-L375 CarbonylContact C-O 3.34Å; I357-L375 VanDerWaalsContact CA-O 3.28Å; I357-L375 WeakPolarHBondContact CA-O 3.43Å; R358-L375 PolarHBondContact N-O 2.87Å; R358-L375 PolarHBondContact O-N 2.93Å; F360-L375 HydrophobicContact CE1-CD1 3.76Å; F360-L375 HydrophobicContact CE1-CG 4.42Å; F360-L375 HydrophobicContact CZ-CD1 4.1Å; L375-I382 HydrophobicContact CD2-CG2 4.2Å; L375-F383 CarbonylContact C-O 3.55Å; L375-F383 VanDerWaalsContact CA-O 3.31Å; L375-F383 WeakPolarHBondContact CA-O 3.38Å; L375-W384 HydrophobicContact CD2-CB 3.35Å; L375-V421 HydrophobicContact CD1-CB 4.02Å; L375-V421 HydrophobicContact CD1-CG1 3.73Å; L375-V421 HydrophobicContact CD1-CG2 3.29Å; L375-F444 HydrophobicContact CD2-CZ 4.02Å
376	A	95.4	Very high	90.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140	173.4	0	0	0	0	0	109.8	W346 V354 I357 F383	W346-A376 HydrophobicContact CZ3-CB 4.17Å; V354-A376 HydrophobicContact CG1-CB 3.87Å; I357-A376 HydrophobicContact CG1-CB 4.1Å; A376-F383 PolarHBondContact N-O 3.26Å; A376-F383 PolarHBondContact O-N 3.32Å
377	S	93.9	Very high	90.9	Very high	1 Å²	1	28 Å²	28	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.4	171.6	58.7	0	0	0	0	110.7	E355 N356 Y381	E355-S377 VanDerWaalsContact C-OG 3.23Å; E355-S377 PolarHBondContact N-O 3.31Å; E355-S377 PolarHBondContact O-N 3.35Å; E355-S377 PolarHBondContact O-OG 3.07Å; N356-S377 WeakPolarHBondContact CB-OG 3.39Å; N356-S377 PolarHBondContact ND2-OG 2.62Å; S377-Y381 WeakPolarHBondContact CA-O 3.3Å
378	R	91.9	Very high	91.3	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	98.5	175	-60.3	-172.9	74.3	-159	-2.5	108.1	D350 I352 V354 C380 Y381 F383	D350-R378 IonicContact OD1-CZ 2.71Å; D350-R378 IonicContact OD1-NH2 2.67Å; D350-R378 PolarHBondContact OD1-NH2 3.01Å; D350-R378 IonicContact OD2-CZ 3.99Å; D350-R378 IonicContact OD2-NH1 2.72Å; D350-R378 PolarHBondContact OD2-NH1 3.25Å; D350-R378 IonicContact OD2-NH2 3.03Å; D350-R378 PolarHBondContact OD2-NH2 3.47Å; I352-R378 HydrophobicContact CG2-CB 3.91Å; I352-R378 PolarHBondContact O-NE 2.81Å; I352-R378 PolarHBondContact O-NH2 2.78Å; V354-R378 HydrophobicContact CG2-CG 4.21Å; R378-C380 PolarHBondContact O-N 3.44Å; R378-Y381 PolarHBondContact N-O 3.12Å; R378-Y381 WeakPolarHBondContact O-CB 3.08Å; R378-Y381 WeakPolarHBondContact O-CD2 3.42Å; R378-Y381 PolarHBondContact O-N 3.21Å; R378-F383 HydrophobicContact CB-CD2 3.96Å; R378-F383 HydrophobicContact CB-CE2 3.84Å; R378-F383 HydrophobicContact CG-CD2 3.81Å; R378-F383 HydrophobicContact CG-CE2 4.05Å
379	G	89.4	Confident	91.3	Very high	32 Å²	32	18.1 Å²	18.1	33%	0.33	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-121.3	-169.8	0	0	0	0	0	111.4	P408 V409	G379-P408 CarbonylContact O-C 3.59Å; G379-P408 WeakPolarHBondContact O-CA 3.22Å; G379-V409 PolarHBondContact O-N 2.52Å
380	C	90.3	Very high	91.1	Very high	32 Å²	32	17 Å²	17	22%	0.216	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.2	177.9	59.6	0	0	0	0	114.5	R378 N405	R378-C380 PolarHBondContact O-N 3.44Å; C380-N405 WeakPolarHBondContact CB-O 3.43Å
381	Y	91.1	Very high	90.5	Very high	95 Å²	95	22 Å²	22	37%	0.373	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	149.9	-177	-54.9	-76.2	0	0	0	111.8	S377 R378 T402	S377-Y381 WeakPolarHBondContact CA-O 3.3Å; R378-Y381 PolarHBondContact N-O 3.12Å; R378-Y381 WeakPolarHBondContact O-CB 3.08Å; R378-Y381 WeakPolarHBondContact O-CD2 3.42Å; R378-Y381 PolarHBondContact O-N 3.21Å; Y381-T402 HydrophobicContact CD1-CG2 4.07Å; Y381-T402 HydrophobicContact CE1-CG2 4Å
382	I	93.7	Very high	89.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.8	169.1	-62.2	-177.6	0	0	0	108.4	L375 H400 I401 L404 V409 L412 L433	L375-I382 HydrophobicContact CD2-CG2 4.2Å; I382-H400 CarbonylContact O-C 3.56Å; I382-H400 VanDerWaalsContact O-CA 3.31Å; I382-H400 WeakPolarHBondContact O-CA 3.42Å; I382-I401 PolarHBondContact O-N 3.1Å; I382-L404 HydrophobicContact CD1-CD2 3.27Å; I382-L404 HydrophobicContact CG1-CD2 3.91Å; I382-V409 HydrophobicContact CD1-CG2 4.5Å; I382-V409 HydrophobicContact CG1-CG2 4.21Å; I382-L412 HydrophobicContact CD1-CD2 3.78Å; I382-L433 HydrophobicContact CD1-CD1 3.64Å
383	F	93.9	Very high	89.2	Confident	31 Å²	31	31 Å²	31	14%	0.136	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.1	173.6	-74.7	-107.3	0	0	0	108.9	W346 L375 A376 R378 H400	W346-F383 AromaticContact CD1-CD1 3.96Å; W346-F383 HydrophobicContact CG-CD1 4.49Å; W346-F383 HydrophobicContact CH2-CB 4.13Å; W346-F383 HydrophobicContact CZ2-CB 3.72Å; W346-F383 AromaticContact NE1-CD1 3.66Å; L375-F383 CarbonylContact C-O 3.55Å; L375-F383 VanDerWaalsContact CA-O 3.31Å; L375-F383 WeakPolarHBondContact CA-O 3.38Å; A376-F383 PolarHBondContact N-O 3.26Å; A376-F383 PolarHBondContact O-N 3.32Å; R378-F383 HydrophobicContact CB-CD2 3.96Å; R378-F383 HydrophobicContact CB-CE2 3.84Å; R378-F383 HydrophobicContact CG-CD2 3.81Å; R378-F383 HydrophobicContact CG-CE2 4.05Å; F383-H400 HydrophobicContact CD1-CB 3.83Å; F383-H400 HydrophobicContact CD2-CB 4.24Å; F383-H400 HydrophobicContact CE1-CB 3.91Å; F383-H400 HydrophobicContact CE2-CB 4.29Å; F383-H400 HydrophobicContact CG-CB 4.01Å; F383-H400 HydrophobicContact CZ-CB 4.13Å
384	W	94.5	Very high	88.8	Confident	17 Å²	17	33.1 Å²	33.1	6%	0.064	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146	178	68.1	-98.4	0	0	0	111.3	L373 I374 L375 L386 H397 N398 S399 V442 F444	L373-W384 HydrophobicContact CD1-CE3 4.37Å; I374-W384 CarbonylContact O-C 3.52Å; I374-W384 VanDerWaalsContact O-CA 3.27Å; I374-W384 WeakPolarHBondContact O-CA 3.5Å; L375-W384 HydrophobicContact CD2-CB 3.35Å; W384-L386 HydrophobicContact CZ3-CB 4.12Å; W384-H397 HydrophobicContact CZ3-CB 4.47Å; W384-N398 CarbonylContact O-C 3.59Å; W384-N398 VanDerWaalsContact O-CA 3.26Å; W384-N398 WeakPolarHBondContact O-CA 3.31Å; W384-S399 VanDerWaalsContact CE2-CB 3.49Å; W384-S399 PolarHBondContact N-O 3.15Å; W384-S399 PolarHBondContact O-N 3.28Å; W384-S399 VanDerWaalsContact O-O 3.11Å; W384-V442 HydrophobicContact CE3-CB 4.18Å; W384-V442 HydrophobicContact CE3-CG2 4.43Å; W384-V442 HydrophobicContact CH2-CB 4.05Å; W384-V442 HydrophobicContact CH2-CG2 4.49Å; W384-V442 HydrophobicContact CZ2-CB 4.33Å; W384-V442 WeakPolarHBondContact CZ2-O 3.47Å; W384-V442 HydrophobicContact CZ3-CB 3.96Å; W384-V442 HydrophobicContact CZ3-CG2 4.07Å; W384-F444 HydrophobicContact CB-CE2 3.97Å; W384-F444 HydrophobicContact CB-CZ 4.13Å; W384-F444 AromaticContact CD1-CE2 3.53Å; W384-F444 HydrophobicContact CD2-CE2 4.01Å; W384-F444 AromaticContact CG-CE2 3.58Å; W384-F444 HydrophobicContact CG-CE2 3.58Å; W384-F444 HydrophobicContact CG-CZ 4.21Å; W384-F444 AromaticContact NE1-CE2 3.88Å
385	C	94.2	Very high	88.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	123.9	176.3	178.5	0	0	0	0	110.4	W346 I374 I396 H397 N398	W346-C385 HydrophobicContact CH2-CB 3.83Å; W346-C385 HydrophobicContact CZ2-CB 3.72Å; I374-C385 HydrophobicContact CB-CB 4.27Å; I374-C385 PolarHBondContact N-O 3.49Å; I374-C385 PolarHBondContact O-N 2.9Å; C385-I396 WeakPolarHBondContact SG-CG2 3.46Å; C385-H397 CarbonylContact C-O 3.59Å; C385-H397 WeakPolarHBondContact CA-O 3.4Å; C385-H397 PolarHBondContact SG-O 2.99Å; C385-N398 HydrophobicContact CB-CB 4.14Å
386	L	92.5	Very high	88.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.4	172	-177	68.3	0	0	0	109.5	C371 W384 M388 H397 F437 V442	C371-L386 HydrophobicContact CB-CD1 3.81Å; W384-L386 HydrophobicContact CZ3-CB 4.12Å; L386-M388 HydrophobicContact CD2-CE 4.45Å; L386-M388 HydrophobicContact CD2-CG 4.03Å; L386-M388 HydrophobicContact CD2-SD 4.02Å; L386-M388 HydrophobicContact CG-CG 4Å; L386-H397 HydrophobicContact CB-CB 4.45Å; L386-H397 PolarHBondContact N-O 3.17Å; L386-H397 PolarHBondContact O-N 3.21Å; L386-F437 HydrophobicContact CD1-CE1 3.96Å; L386-F437 HydrophobicContact CD2-CE1 4.39Å; L386-V442 HydrophobicContact CB-CG2 4.16Å; L386-V442 HydrophobicContact CD1-CG2 4.37Å; L386-V442 HydrophobicContact CD2-CG2 3.86Å; L386-V442 HydrophobicContact CG-CG2 4.35Å
387	L	90.7	Very high	87.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.8	172.6	-61.1	-178	0	0	0	110	W302 I325 L345 C371 S372 I374 L394 I396	W302-L387 HydrophobicContact CD2-CD1 4.19Å; W302-L387 HydrophobicContact CZ2-CD1 3.93Å; I325-L387 HydrophobicContact CD1-CD1 3.73Å; L345-L387 HydrophobicContact CD2-CD2 4.16Å; C371-L387 WeakPolarHBondContact CA-O 3.46Å; C371-L387 WeakPolarHBondContact CB-O 3.41Å; S372-L387 PolarHBondContact N-O 2.81Å; S372-L387 PolarHBondContact O-N 3.09Å; I374-L387 HydrophobicContact CD1-CD1 3.48Å; I374-L387 VanDerWaalsContact CD1-CD1 3.48Å; I374-L387 HydrophobicContact CD1-CG 3.98Å; I374-L387 HydrophobicContact CG1-CD1 4.4Å; L387-L394 HydrophobicContact CB-CD1 4.27Å; L387-L394 HydrophobicContact CD2-CD1 4.45Å; L387-I396 HydrophobicContact CD2-CB 4.36Å; L387-I396 HydrophobicContact CD2-CG1 3.85Å; L387-I396 HydrophobicContact CD2-CG2 4.08Å
388	M	87.1	Confident	87.8	Confident	26 Å²	26	46.1 Å²	46.1	13%	0.128	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.3	175.6	-60.4	-164	-76.3	0	0	109.8	C371 L386 N395 H397	C371-M388 HydrophobicContact CB-CG 4.41Å; L386-M388 HydrophobicContact CD2-CE 4.45Å; L386-M388 HydrophobicContact CD2-CG 4.03Å; L386-M388 HydrophobicContact CD2-SD 4.02Å; L386-M388 HydrophobicContact CG-CG 4Å; M388-N395 HydrophobicContact CB-CB 4.37Å; M388-N395 PolarHBondContact N-O 2.55Å; M388-N395 PolarHBondContact O-N 3.45Å; M388-H397 VanDerWaalsContact CE-CD2 3.43Å; M388-H397 WeakPolarHBondContact CE-CD2 3.23Å; M388-H397 VanDerWaalsContact CE-NE2 3.31Å; M388-H397 WeakPolarHBondContact CE-NE2 3.45Å
389	I	84.1	Confident	87.7	Confident	43 Å²	43	48.4 Å²	48.4	22%	0.221	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.8	175.3	-68.3	167.7	0	0	0	108.3	W302 Y304 M311 L394	W302-I389 HydrophobicContact CH2-CD1 4.38Å; W302-I389 HydrophobicContact CZ2-CD1 4.15Å; Y304-I389 HydrophobicContact CD1-CD1 3.45Å; Y304-I389 VanDerWaalsContact CD1-CD1 3.45Å; Y304-I389 HydrophobicContact CD2-CD1 3.77Å; Y304-I389 HydrophobicContact CE1-CB 4.12Å; Y304-I389 HydrophobicContact CE1-CD1 3.76Å; Y304-I389 HydrophobicContact CE1-CG2 4.3Å; Y304-I389 HydrophobicContact CE2-CB 4.22Å; Y304-I389 HydrophobicContact CE2-CD1 4.04Å; Y304-I389 HydrophobicContact CE2-CG1 4.44Å; Y304-I389 HydrophobicContact CG-CD1 3.44Å; Y304-I389 VanDerWaalsContact CG-CD1 3.44Å; M311-I389 HydrophobicContact SD-CD1 3.85Å; I389-L394 HydrophobicContact CD1-CD1 4.26Å; I389-L394 HydrophobicContact CG1-CD1 3.55Å
390	S	78.4	Confident	87.8	Confident	35 Å²	35	51.2 Å²	51.2	25%	0.245	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	166.7	176.7	72.9	0	0	0	0	110.1	N392 G393 N395	S390-N392 PolarHBondContact O-N 2.93Å; S390-N392 VanDerWaalsContact O-N 3.11Å; S390-N392 PolarHBondContact OG-N 2.77Å; S390-G393 PolarHBondContact N-O 3.03Å; S390-G393 PolarHBondContact O-N 2.88Å; S390-G393 PolarHBondContact OG-N 2.98Å; S390-G393 PolarHBondContact OG-O 3.32Å; S390-N395 PolarHBondContact OG-ND2 2.92Å
391	P	74.5	Confident	87.7	Confident	140 Å²	140	50.9 Å²	50.9	91%	0.909	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.9	172.3	-24.9	34.7	0	0	0	113.4	G393	P391-G393 VanDerWaalsContact C-N 3.33Å
392	N	72.4	Confident	87.5	Confident	160 Å²	160	50.6 Å²	50.6	86%	0.856	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.9	-179.7	-62.9	-14.5	0	0	0	113.3	S390	S390-N392 PolarHBondContact O-N 2.93Å; S390-N392 VanDerWaalsContact O-N 3.11Å; S390-N392 PolarHBondContact OG-N 2.77Å
393	G	80.4	Confident	86.8	Confident	33 Å²	33	54 Å²	54	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	127.5	-167.6	-179.7	0	0	0	0	0	114.1	S390 P391	S390-G393 PolarHBondContact N-O 3.03Å; S390-G393 PolarHBondContact O-N 2.88Å; S390-G393 PolarHBondContact OG-N 2.98Å; S390-G393 PolarHBondContact OG-O 3.32Å; P391-G393 VanDerWaalsContact C-N 3.33Å
394	L	85.6	Confident	86.3	Confident	45 Å²	45	52.9 Å²	52.9	24%	0.236	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.1	178.6	-178.7	70.4	0	0	0	110.1	L339 V343 L387 I389 I396	L339-L394 HydrophobicContact CD2-CD2 4.33Å; V343-L394 HydrophobicContact CG1-CD2 4.31Å; V343-L394 HydrophobicContact CG2-CD2 4.02Å; L387-L394 HydrophobicContact CB-CD1 4.27Å; L387-L394 HydrophobicContact CD2-CD1 4.45Å; I389-L394 HydrophobicContact CD1-CD1 4.26Å; I389-L394 HydrophobicContact CG1-CD1 3.55Å; L394-I396 HydrophobicContact CD2-CD1 4.26Å; L394-I396 HydrophobicContact CD2-CG1 4.32Å; L394-I396 HydrophobicContact CG-CG1 4.15Å
395	N	87.8	Confident	85.7	Confident	72 Å²	72	52.8 Å²	52.8	39%	0.385	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.3	172	-63.7	-40.6	0	0	0	109.8	M388 S390	M388-N395 HydrophobicContact CB-CB 4.37Å; M388-N395 PolarHBondContact N-O 2.55Å; M388-N395 PolarHBondContact O-N 3.45Å; S390-N395 PolarHBondContact OG-ND2 2.92Å
396	I	89.5	Confident	85.2	Confident	60 Å²	60	57.7 Å²	57.7	31%	0.308	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118	-172.8	-53.6	175.6	0	0	0	107.5	V343 L345 C385 L387 L394	V343-I396 HydrophobicContact CG1-CD1 3.17Å; V343-I396 HydrophobicContact CG1-CG1 4.49Å; L345-I396 HydrophobicContact CD2-CG2 4.16Å; C385-I396 WeakPolarHBondContact SG-CG2 3.46Å; L387-I396 HydrophobicContact CD2-CB 4.36Å; L387-I396 HydrophobicContact CD2-CG1 3.85Å; L387-I396 HydrophobicContact CD2-CG2 4.08Å; L394-I396 HydrophobicContact CD2-CD1 4.26Å; L394-I396 HydrophobicContact CD2-CG1 4.32Å; L394-I396 HydrophobicContact CG-CG1 4.15Å
397	H	89.8	Confident	85	Confident	65 Å²	65	60.5 Å²	60.5	30%	0.301	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.4	171.6	-61	-90.3	0	0	0	107.8	W384 C385 L386 M388 S440	W384-H397 HydrophobicContact CZ3-CB 4.47Å; C385-H397 CarbonylContact C-O 3.59Å; C385-H397 WeakPolarHBondContact CA-O 3.4Å; C385-H397 PolarHBondContact SG-O 2.99Å; L386-H397 HydrophobicContact CB-CB 4.45Å; L386-H397 PolarHBondContact N-O 3.17Å; L386-H397 PolarHBondContact O-N 3.21Å; M388-H397 VanDerWaalsContact CE-CD2 3.43Å; M388-H397 WeakPolarHBondContact CE-CD2 3.23Å; M388-H397 VanDerWaalsContact CE-NE2 3.31Å; M388-H397 WeakPolarHBondContact CE-NE2 3.45Å; H397-S440 PolarHBondContact ND1-O 2.93Å
398	N	91.3	Very high	84.9	Confident	78 Å²	78	63.4 Å²	63.4	42%	0.417	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.6	179.9	59.1	12.1	0	0	0	110.5	L345 W346 W384 C385	L345-N398 PolarHBondContact O-ND2 3.14Å; W346-N398 HydrophobicContact CZ2-CB 4.4Å; W384-N398 CarbonylContact O-C 3.59Å; W384-N398 VanDerWaalsContact O-CA 3.26Å; W384-N398 WeakPolarHBondContact O-CA 3.31Å; C385-N398 HydrophobicContact CB-CB 4.14Å
399	S	90.9	Very high	85.2	Confident	52 Å²	52	62.3 Å²	62.3	36%	0.364	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	-168	170.4	-167.1	0	0	0	0	109	W384	W384-S399 VanDerWaalsContact CE2-CB 3.49Å; W384-S399 PolarHBondContact N-O 3.15Å; W384-S399 PolarHBondContact O-N 3.28Å; W384-S399 VanDerWaalsContact O-O 3.11Å
400	H	90.3	Very high	85.5	Confident	91 Å²	91	61.8 Å²	61.8	42%	0.421	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	159.8	-178.5	61.8	-76	0	0	0	111.3	I382 F383 T402	I382-H400 CarbonylContact O-C 3.56Å; I382-H400 VanDerWaalsContact O-CA 3.31Å; I382-H400 WeakPolarHBondContact O-CA 3.42Å; F383-H400 HydrophobicContact CD1-CB 3.83Å; F383-H400 HydrophobicContact CD2-CB 4.24Å; F383-H400 HydrophobicContact CE1-CB 3.91Å; F383-H400 HydrophobicContact CE2-CB 4.29Å; F383-H400 HydrophobicContact CG-CB 4.01Å; F383-H400 HydrophobicContact CZ-CB 4.13Å; H400-T402 WeakPolarHBondContact CD2-CG2 3.37Å
401	I	89.8	Confident	86.2	Confident	25 Å²	25	60.3 Å²	60.3	13%	0.128	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.8	176	-54.4	171.1	0	0	0	107.4	I382 L404 L433 F444	I382-I401 PolarHBondContact O-N 3.1Å; I401-L404 HydrophobicContact CG2-CB 4.29Å; I401-L433 HydrophobicContact CD1-CD1 4.38Å; I401-F444 HydrophobicContact CD1-CB 3.91Å; I401-F444 HydrophobicContact CD1-CD1 4.48Å; I401-F444 HydrophobicContact CD1-CD2 3.61Å; I401-F444 HydrophobicContact CD1-CE2 4.26Å; I401-F444 HydrophobicContact CD1-CG 3.74Å; I401-F444 HydrophobicContact CG1-CD2 4.22Å
402	T	85.4	Confident	87.1	Confident	89 Å²	89	53.7 Å²	53.7	55%	0.546	33%	0.325	S	S	.	.			trans	-101.6	154.5	176.8	57.3	0	0	0	0	111.6	Y381 H400 L404	Y381-T402 HydrophobicContact CD1-CG2 4.07Å; Y381-T402 HydrophobicContact CE1-CG2 4Å; H400-T402 WeakPolarHBondContact CD2-CG2 3.37Å; T402-L404 PolarHBondContact O-N 3.5Å
403	G	79.6	Confident	88.1	Confident	72 Å²	72	46.4 Å²	46.4	74%	0.742	29%	0.287	S	S	*	.	S	Bend	trans	69.4	14.9	174.4	0	0	0	0	0	114.3
404	L	83.3	Confident	88.7	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.037	28%	0.281	C	S	.	.	S	Bend	trans	-66.5	-51	179.2	-175.3	68.9	0	0	0	110.9	I382 I401 T402 K431 L433 V446	I382-L404 HydrophobicContact CD1-CD2 3.27Å; I382-L404 HydrophobicContact CG1-CD2 3.91Å; I401-L404 HydrophobicContact CG2-CB 4.29Å; T402-L404 PolarHBondContact O-N 3.5Å; L404-K431 HydrophobicContact CD1-CB 4.29Å; L404-K431 HydrophobicContact CD1-CD 3.47Å; L404-K431 VanDerWaalsContact CD1-CD 3.47Å; L404-K431 HydrophobicContact CD1-CG 4.47Å; L404-K431 HydrophobicContact CG-CD 3.88Å; L404-K431 WeakPolarHBondContact O-CD 3.37Å; L404-K431 WeakPolarHBondContact O-CE 3.22Å; L404-K431 PolarHBondContact O-NZ 3Å; L404-L433 HydrophobicContact CD1-CD2 3.81Å; L404-L433 HydrophobicContact CD2-CD1 4.26Å; L404-L433 HydrophobicContact CD2-CD2 4.39Å; L404-V446 HydrophobicContact CD1-CG1 3.59Å; L404-V446 HydrophobicContact CD1-CG2 4.27Å
405	N	82.4	Confident	88.8	Confident	15 Å²	15	44.4 Å²	44.4	8%	0.08	27%	0.27	C	S	.	.			trans	-132.5	149.9	178.8	-60.9	-50	0	0	0	109.7	C380 L407 K431	C380-N405 WeakPolarHBondContact CB-O 3.43Å; N405-L407 VanDerWaalsContact CB-O 3.29Å; N405-L407 WeakPolarHBondContact CB-O 3.31Å; N405-K431 WeakPolarHBondContact OD1-CE 3.34Å
406	S	83.9	Confident	88.3	Confident	102 Å²	102	47 Å²	47	71%	0.713	28%	0.28	S	S	*	.	S	Bend	trans	-77.7	-26	171.3	51	0	0	0	0	112.1
407	L	88.4	Confident	87.7	Confident	60 Å²	60	47.9 Å²	47.9	31%	0.314	28%	0.283	S	S	.	.	S	Bend	trans	-112.8	162	178.7	-68.9	177.7	0	0	0	111.9	N405 M426 D427	N405-L407 VanDerWaalsContact CB-O 3.29Å; N405-L407 WeakPolarHBondContact CB-O 3.31Å; L407-M426 HydrophobicContact CB-CB 4.44Å; L407-M426 HydrophobicContact CD1-CE 4.24Å; L407-M426 HydrophobicContact CD2-CE 4.34Å; L407-D427 HydrophobicContact CD1-CB 3.64Å
408	P	89.1	Confident	86.9	Confident	62 Å²	62	48.3 Å²	48.3	40%	0.403	29%	0.285	S	S	.	.			trans	-56	145	179.8	-26.5	35.6	0	0	0	113.6	G379 V410 S425 M426	G379-P408 CarbonylContact O-C 3.59Å; G379-P408 WeakPolarHBondContact O-CA 3.22Å; P408-V410 PolarHBondContact O-N 2.91Å; P408-S425 WeakPolarHBondContact O-CA 3.45Å; P408-M426 PolarHBondContact O-N 3.3Å
409	V	92.5	Very high	86.6	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.8	172.5	177.8	0	0	0	0	108.2	G379 I382 L412 C424	G379-V409 PolarHBondContact O-N 2.52Å; I382-V409 HydrophobicContact CD1-CG2 4.5Å; I382-V409 HydrophobicContact CG1-CG2 4.21Å; V409-L412 HydrophobicContact CG1-CD2 3.82Å; V409-L412 HydrophobicContact CG1-CG 4.13Å; V409-C424 CarbonylContact C-O 3.56Å; V409-C424 WeakPolarHBondContact CA-O 3.18Å
410	V	90.9	Very high	86.6	Confident	31 Å²	31	43.9 Å²	43.9	19%	0.188	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-38.5	-178.9	177.7	0	0	0	0	111	N356 P408 C424 M426 H461	N356-V410 PolarHBondContact ND2-O 3.23Å; P408-V410 PolarHBondContact O-N 2.91Å; V410-C424 PolarHBondContact N-O 3.33Å; V410-M426 HydrophobicContact CG2-CB 3.85Å; V410-M426 HydrophobicContact CG2-CG 4.47Å; V410-H461 WeakPolarHBondContact CG1-O 3.48Å
411	S	92.8	Very high	86.7	Confident	4 Å²	4	39.6 Å²	39.6	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.7	-173	-178.9	0	0	0	0	112.4	C424 I463	S411-C424 PolarHBondContact O-N 3.33Å; S411-I463 WeakPolarHBondContact OG-CG1 3.42Å; S411-I463 PolarHBondContact OG-N 2.87Å; S411-I463 PolarHBondContact OG-O 3.2Å
412	L	93.8	Very high	86.9	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.1	171.3	-62.9	177.7	0	0	0	110.7	N356 R358 I382 V409 V421 Y422 S423	N356-L412 HydrophobicContact CB-CB 4Å; N356-L412 HydrophobicContact CB-CD1 3.98Å; N356-L412 HydrophobicContact CB-CG 3.89Å; N356-L412 WeakPolarHBondContact O-CD1 3.46Å; R358-L412 HydrophobicContact CG-CB 4.11Å; R358-L412 PolarHBondContact NE-O 3.17Å; I382-L412 HydrophobicContact CD1-CD2 3.78Å; V409-L412 HydrophobicContact CG1-CD2 3.82Å; V409-L412 HydrophobicContact CG1-CG 4.13Å; L412-V421 HydrophobicContact CD2-CG1 4.5Å; L412-Y422 WeakPolarHBondContact CA-O 3.29Å; L412-S423 VanDerWaalsContact CD2-CB 3.48Å
413	A	93	Very high	87.3	Confident	7 Å²	7	34.3 Å²	34.3	6%	0.058	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.9	174.6	0	0	0	0	0	110.7	V421 Y422 I463 V465	A413-V421 CarbonylContact O-C 3.48Å; A413-V421 WeakPolarHBondContact O-CA 3.29Å; A413-Y422 PolarHBondContact N-O 2.95Å; A413-Y422 PolarHBondContact O-N 3.02Å; A413-I463 HydrophobicContact CB-CD1 4.06Å; A413-I463 HydrophobicContact CB-CG1 4.09Å; A413-V465 HydrophobicContact CB-CB 4.42Å; A413-V465 HydrophobicContact CB-CG2 3.7Å
414	V	91.7	Very high	87.8	Confident	33 Å²	33	30.9 Å²	30.9	20%	0.2	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.6	-174.8	-176.7	0	0	0	0	109.8	R358 F360 V421	R358-V414 HydrophobicContact CB-CG2 3.92Å; R358-V414 HydrophobicContact CG-CG2 4.17Å; F360-V414 HydrophobicContact CB-CG1 4.36Å; F360-V414 HydrophobicContact CD1-CB 4.26Å; F360-V414 HydrophobicContact CD1-CG1 3.59Å; F360-V414 HydrophobicContact CD1-CG2 3.8Å; F360-V414 HydrophobicContact CD2-CG1 4.06Å; F360-V414 HydrophobicContact CE1-CB 4.42Å; F360-V414 HydrophobicContact CE1-CG1 3.74Å; F360-V414 HydrophobicContact CE1-CG2 3.76Å; F360-V414 HydrophobicContact CE2-CG1 4.19Å; F360-V414 HydrophobicContact CG-CG1 3.75Å; F360-V414 HydrophobicContact CZ-CG1 4.03Å; V414-V421 HydrophobicContact CG2-CG1 4.49Å; V414-V421 HydrophobicContact CG2-CG2 4.32Å
415	S	89	Confident	88.2	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	112.5	165.5	-179.4	0	0	0	0	108.9	V419 A420	S415-V419 VanDerWaalsContact O-CA 3.3Å; S415-V419 WeakPolarHBondContact O-CA 3.37Å; S415-V419 PolarHBondContact O-N 3.25Å; S415-V419 VanDerWaalsContact O-N 3.11Å; S415-A420 PolarHBondContact N-O 3.4Å; S415-A420 PolarHBondContact O-N 3.06Å
416	Q	77.6	Confident	88.2	Confident	127 Å²	127	34.3 Å²	34.3	59%	0.593	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-30	-178.2	-68	-177.4	-4.5	0	0	112.8	V419	Q416-V419 PolarHBondContact O-N 3.12Å
417	Q	75.3	Confident	88	Confident	79 Å²	79	31.8 Å²	31.8	37%	0.369	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-41.6	-177.6	-68.7	-162.4	-14.7	0	0	113.1	N468	Q417-N468 PolarHBondContact NE2-OD1 2.96Å; Q417-N468 PolarHBondContact OE1-O 3.13Å
418	E	74.1	Confident	87.6	Confident	73 Å²	73	29 Å²	29	34%	0.341	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.4	177	-70.8	-172.5	-172.8	0	0	113	A420 K432 K499	E418-A420 HydrophobicContact CB-CB 4.31Å; E418-A420 PolarHBondContact O-N 3.15Å; E418-K432 IonicContact OE2-NZ 3.21Å; E418-K432 PolarHBondContact OE2-NZ 3.43Å; E418-K499 IonicContact OE1-NZ 2.72Å; E418-K499 PolarHBondContact OE1-NZ 2.84Å
419	V	84.4	Confident	87.4	Confident	38 Å²	38	32.4 Å²	32.4	23%	0.23	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	60.3	-168.4	-166.9	0	0	0	0	109.8	F360 V362 S415 Q416 P435	F360-V419 HydrophobicContact CE2-CG1 3.85Å; V362-V419 HydrophobicContact CG1-CG1 3.87Å; V362-V419 HydrophobicContact CG1-CG2 4.45Å; V362-V419 HydrophobicContact CG2-CG1 3.8Å; S415-V419 VanDerWaalsContact O-CA 3.3Å; S415-V419 WeakPolarHBondContact O-CA 3.37Å; S415-V419 PolarHBondContact O-N 3.25Å; S415-V419 VanDerWaalsContact O-N 3.11Å; Q416-V419 PolarHBondContact O-N 3.12Å; V419-P435 HydrophobicContact CG1-CG 3.67Å; V419-P435 WeakPolarHBondContact O-CD 3.13Å
420	A	91.1	Very high	87.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.4	-179.7	0	0	0	0	0	110.9	S415 E418 Y422 K432	S415-A420 PolarHBondContact N-O 3.4Å; S415-A420 PolarHBondContact O-N 3.06Å; E418-A420 HydrophobicContact CB-CB 4.31Å; E418-A420 PolarHBondContact O-N 3.15Å; A420-Y422 HydrophobicContact CB-CE2 4.17Å; A420-K432 HydrophobicContact CB-CG 4.31Å
421	V	93.5	Very high	87.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127	-179.7	-177.5	0	0	0	0	108.5	F360 L375 L412 A413 V414 K432 L433	F360-V421 HydrophobicContact CE1-CG2 3.94Å; F360-V421 HydrophobicContact CZ-CG2 3.66Å; L375-V421 HydrophobicContact CD1-CB 4.02Å; L375-V421 HydrophobicContact CD1-CG1 3.73Å; L375-V421 HydrophobicContact CD1-CG2 3.29Å; L412-V421 HydrophobicContact CD2-CG1 4.5Å; A413-V421 CarbonylContact O-C 3.48Å; A413-V421 WeakPolarHBondContact O-CA 3.29Å; V414-V421 HydrophobicContact CG2-CG1 4.49Å; V414-V421 HydrophobicContact CG2-CG2 4.32Å; V421-K432 CarbonylContact O-C 3.55Å; V421-L433 HydrophobicContact CB-CB 4.19Å; V421-L433 PolarHBondContact N-O 2.81Å; V421-L433 PolarHBondContact O-N 2.87Å
422	Y	93.1	Very high	87.4	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.6	175.7	-60.6	-91.3	0	0	0	108	L412 A413 A420 K431 K432 I463 V465 L498	L412-Y422 WeakPolarHBondContact CA-O 3.29Å; A413-Y422 PolarHBondContact N-O 2.95Å; A413-Y422 PolarHBondContact O-N 3.02Å; A420-Y422 HydrophobicContact CB-CE2 4.17Å; Y422-K431 WeakPolarHBondContact CA-O 3.35Å; Y422-K432 HydrophobicContact CD1-CB 4.21Å; Y422-K432 HydrophobicContact CD1-CG 4.39Å; Y422-K432 HydrophobicContact CE1-CB 4Å; Y422-K432 HydrophobicContact CE1-CD 4.11Å; Y422-K432 HydrophobicContact CE1-CG 3.85Å; Y422-I463 VanDerWaalsContact O-CD1 3.31Å; Y422-I463 WeakPolarHBondContact O-CD1 3.44Å; Y422-V465 HydrophobicContact CD2-CG2 3.72Å; Y422-V465 HydrophobicContact CE2-CG2 4.18Å; Y422-V465 HydrophobicContact CG-CG2 4.4Å; Y422-L498 HydrophobicContact CE1-CD1 4.28Å; Y422-L498 HydrophobicContact CE1-CD2 3.79Å; Y422-L498 HydrophobicContact CE2-CD1 3.99Å
423	S	93.3	Very high	87.3	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.7	172.9	67.1	0	0	0	0	109.8	L412 I430 K431	L412-S423 VanDerWaalsContact CD2-CB 3.48Å; S423-I430 VanDerWaalsContact O-CA 3.3Å; S423-I430 WeakPolarHBondContact O-CA 3.49Å; S423-K431 PolarHBondContact N-O 3.36Å; S423-K431 PolarHBondContact O-N 3.37Å; S423-K431 PolarHBondContact OG-O 3.11Å
424	C	91.7	Very high	87.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.4	175.5	-172.9	0	0	0	0	110.2	V409 V410 S411 W429 I460 I463	V409-C424 CarbonylContact C-O 3.56Å; V409-C424 WeakPolarHBondContact CA-O 3.18Å; V410-C424 PolarHBondContact N-O 3.33Å; S411-C424 PolarHBondContact O-N 3.33Å; C424-W429 WeakPolarHBondContact CA-O 3.47Å; C424-I460 VanDerWaalsContact SG-CB 3.56Å; C424-I460 WeakPolarHBondContact SG-CG2 3.49Å; C424-I463 HydrophobicContact CB-CD1 3.92Å; C424-I463 HydrophobicContact CB-CG1 4.04Å; C424-I463 HydrophobicContact CB-CG2 3.71Å
425	S	89.7	Confident	87.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	168	172.3	59.1	0	0	0	0	112	P408 D427 G428 W429	P408-S425 WeakPolarHBondContact O-CA 3.45Å; S425-D427 WeakPolarHBondContact CB-OD1 3.43Å; S425-D427 PolarHBondContact OG-OD1 3.1Å; S425-G428 WeakPolarHBondContact O-CA 3.44Å; S425-G428 PolarHBondContact O-N 3.05Å; S425-W429 PolarHBondContact N-O 2.9Å; S425-W429 WeakPolarHBondContact OG-CB 3.3Å; S425-W429 PolarHBondContact OG-N 2.76Å; S425-W429 PolarHBondContact OG-O 3.19Å
426	M	83.5	Confident	87.4	Confident	95 Å²	95	37.6 Å²	37.6	47%	0.468	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.9	-176.3	-172.6	172	67.1	0	0	114.5	L407 P408 V410 G428	L407-M426 HydrophobicContact CB-CB 4.44Å; L407-M426 HydrophobicContact CD1-CE 4.24Å; L407-M426 HydrophobicContact CD2-CE 4.34Å; P408-M426 PolarHBondContact O-N 3.3Å; V410-M426 HydrophobicContact CG2-CB 3.85Å; V410-M426 HydrophobicContact CG2-CG 4.47Å; M426-G428 PolarHBondContact O-N 3.07Å
427	D	79.2	Confident	87.7	Confident	49 Å²	49	33.1 Å²	33.1	26%	0.262	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-1.1	171.2	52.6	-6.3	0	0	0	113.5	L407 S425 W429	L407-D427 HydrophobicContact CD1-CB 3.64Å; S425-D427 WeakPolarHBondContact CB-OD1 3.43Å; S425-D427 PolarHBondContact OG-OD1 3.1Å; D427-W429 PolarHBondContact OD2-NE1 3.29Å
428	G	80.8	Confident	88.1	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.01	16%	0.157	C	C	.	.			trans	96.7	-0.2	170.1	0	0	0	0	0	114.5	S425 M426 Q451 I460	S425-G428 WeakPolarHBondContact O-CA 3.44Å; S425-G428 PolarHBondContact O-N 3.05Å; M426-G428 PolarHBondContact O-N 3.07Å; G428-Q451 PolarHBondContact O-NE2 3.5Å; G428-I460 VanDerWaalsContact CA-CD1 3.48Å; G428-I460 WeakPolarHBondContact O-CD1 3.26Å
429	W	85.5	Confident	88.2	Confident	133 Å²	133	34.9 Å²	34.9	50%	0.504	17%	0.173	S	C	.	.			trans	-63.3	138.3	175.6	-66	99.7	0	0	0	112	C424 S425 D427	C424-W429 WeakPolarHBondContact CA-O 3.47Å; S425-W429 PolarHBondContact N-O 2.9Å; S425-W429 WeakPolarHBondContact OG-CB 3.3Å; S425-W429 PolarHBondContact OG-N 2.76Å; S425-W429 PolarHBondContact OG-O 3.19Å; D427-W429 PolarHBondContact OD2-NE1 3.29Å
430	I	89.9	Confident	87.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.6	178.7	-53.7	153.9	0	0	0	107.7	S423 L449 Q451 I460 L474 L496	S423-I430 VanDerWaalsContact O-CA 3.3Å; S423-I430 WeakPolarHBondContact O-CA 3.49Å; I430-L449 HydrophobicContact CB-CB 4.09Å; I430-L449 HydrophobicContact CB-CD2 4.27Å; I430-L449 HydrophobicContact CD1-CD2 4.41Å; I430-L449 HydrophobicContact CG2-CB 4.01Å; I430-L449 HydrophobicContact CG2-CD2 3.68Å; I430-L449 HydrophobicContact CG2-CG 4.49Å; I430-L449 WeakPolarHBondContact O-CB 3.48Å; I430-L449 PolarHBondContact O-N 2.94Å; I430-Q451 HydrophobicContact CD1-CG 4.47Å; I430-I460 HydrophobicContact CD1-CD1 4.4Å; I430-I460 HydrophobicContact CG1-CD1 4.35Å; I430-L474 HydrophobicContact CD1-CD2 3.31Å; I430-L474 HydrophobicContact CG1-CD2 3.96Å; I430-L496 HydrophobicContact CD1-CD1 4.47Å
431	K	91.2	Very high	87	Confident	34 Å²	34	38.4 Å²	38.4	15%	0.148	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132	179.3	-56.4	-167.1	174.8	-153.7	0	110.6	L404 N405 Y422 S423 V446 E447 D448	L404-K431 HydrophobicContact CD1-CB 4.29Å; L404-K431 HydrophobicContact CD1-CD 3.47Å; L404-K431 VanDerWaalsContact CD1-CD 3.47Å; L404-K431 HydrophobicContact CD1-CG 4.47Å; L404-K431 HydrophobicContact CG-CD 3.88Å; L404-K431 WeakPolarHBondContact O-CD 3.37Å; L404-K431 WeakPolarHBondContact O-CE 3.22Å; L404-K431 PolarHBondContact O-NZ 3Å; N405-K431 WeakPolarHBondContact OD1-CE 3.34Å; Y422-K431 WeakPolarHBondContact CA-O 3.35Å; S423-K431 PolarHBondContact N-O 3.36Å; S423-K431 PolarHBondContact O-N 3.37Å; S423-K431 PolarHBondContact OG-O 3.11Å; K431-V446 HydrophobicContact CB-CG1 4.46Å; K431-V446 HydrophobicContact CD-CG1 4.17Å; K431-E447 CarbonylContact C-O 3.51Å; K431-E447 WeakPolarHBondContact CA-O 3.18Å; K431-D448 WeakPolarHBondContact CE-OD1 3.26Å; K431-D448 IonicContact NZ-OD1 3.58Å; K431-D448 PolarHBondContact NZ-OD1 3.32Å
432	K	93.1	Very high	86.8	Confident	39 Å²	39	38.6 Å²	38.6	17%	0.17	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125	170.7	-175.4	-178.3	-175	175.8	0	108.4	E418 A420 V421 Y422 E447	E418-K432 IonicContact OE2-NZ 3.21Å; E418-K432 PolarHBondContact OE2-NZ 3.43Å; A420-K432 HydrophobicContact CB-CG 4.31Å; V421-K432 CarbonylContact O-C 3.55Å; Y422-K432 HydrophobicContact CD1-CB 4.21Å; Y422-K432 HydrophobicContact CD1-CG 4.39Å; Y422-K432 HydrophobicContact CE1-CB 4Å; Y422-K432 HydrophobicContact CE1-CD 4.11Å; Y422-K432 HydrophobicContact CE1-CG 3.85Å; K432-E447 HydrophobicContact CB-CB 4.4Å; K432-E447 PolarHBondContact N-O 3.5Å; K432-E447 PolarHBondContact O-N 3.24Å
433	L	93.4	Very high	86.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.2	177.1	-53	171.7	0	0	0	107.7	I382 I401 L404 V421 F444 K445 V446	I382-L433 HydrophobicContact CD1-CD1 3.64Å; I401-L433 HydrophobicContact CD1-CD1 4.38Å; L404-L433 HydrophobicContact CD1-CD2 3.81Å; L404-L433 HydrophobicContact CD2-CD1 4.26Å; L404-L433 HydrophobicContact CD2-CD2 4.39Å; V421-L433 HydrophobicContact CB-CB 4.19Å; V421-L433 PolarHBondContact N-O 2.81Å; V421-L433 PolarHBondContact O-N 2.87Å; L433-F444 HydrophobicContact CB-CD1 3.94Å; L433-K445 WeakPolarHBondContact CA-O 3.18Å; L433-V446 HydrophobicContact CD2-CB 4.21Å; L433-V446 HydrophobicContact CD2-CG1 4.01Å; L433-V446 HydrophobicContact CD2-CG2 3.7Å
434	T	92.9	Very high	86.5	Confident	38 Å²	38	44.1 Å²	44.1	23%	0.233	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117	177	-52.8	0	0	0	0	108.5	T436 F444 K445	T434-T436 PolarHBondContact O-N 2.79Å; T434-F444 WeakPolarHBondContact O-CA 3.06Å; T434-K445 PolarHBondContact N-O 3.13Å; T434-K445 PolarHBondContact O-N 2.75Å
435	P	92	Very high	86.5	Confident	13 Å²	13	49.6 Å²	49.6	8%	0.084	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.8	179.6	28.9	-28.8	0	0	0	110.2	L373 V419 F437 V442 I443 F444	L373-P435 HydrophobicContact CD2-CB 4.14Å; L373-P435 HydrophobicContact CD2-CG 4.31Å; V419-P435 HydrophobicContact CG1-CG 3.67Å; V419-P435 WeakPolarHBondContact O-CD 3.13Å; P435-F437 HydrophobicContact CB-CE2 4.08Å; P435-F437 HydrophobicContact CB-CZ 4.42Å; P435-F437 HydrophobicContact CG-CE2 4.25Å; P435-V442 HydrophobicContact CB-CG1 3.6Å; P435-I443 CarbonylContact C-O 3.59Å; P435-I443 WeakPolarHBondContact CA-O 3.46Å; P435-F444 HydrophobicContact CB-CD1 4.15Å; P435-F444 HydrophobicContact CB-CE1 3.78Å; P435-F444 HydrophobicContact CB-CZ 4.31Å; P435-F444 HydrophobicContact CG-CE1 4.49Å
436	T	89.4	Confident	86.6	Confident	67 Å²	67	52.7 Å²	52.7	41%	0.411	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.8	168.9	51.9	0	0	0	0	108.6	T434 I443	T434-T436 PolarHBondContact O-N 2.79Å; T436-I443 PolarHBondContact N-O 2.7Å; T436-I443 PolarHBondContact O-N 2.76Å; T436-I443 PolarHBondContact OG1-O 3.32Å; T436-I443 VanDerWaalsContact OG1-O 3.05Å
437	F	85.5	Confident	87	Confident	33 Å²	33	51.5 Å²	51.5	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.2	-176.5	-67.2	-97.7	0	0	0	110.2	V362 H364 P365 L386 P435 V442	V362-F437 HydrophobicContact CB-CZ 3.95Å; V362-F437 HydrophobicContact CG1-CE1 4.37Å; V362-F437 HydrophobicContact CG1-CE2 3.62Å; V362-F437 HydrophobicContact CG1-CZ 3.36Å; V362-F437 HydrophobicContact CG2-CZ 4.4Å; H364-F437 AromaticContact CD2-CD1 3.99Å; P365-F437 VanDerWaalsContact CD-CG 3.49Å; P365-F437 HydrophobicContact CG-CB 3.58Å; P365-F437 HydrophobicContact CG-CD2 4Å; P365-F437 HydrophobicContact CG-CG 3.99Å; L386-F437 HydrophobicContact CD1-CE1 3.96Å; L386-F437 HydrophobicContact CD2-CE1 4.39Å; P435-F437 HydrophobicContact CB-CE2 4.08Å; P435-F437 HydrophobicContact CB-CZ 4.42Å; P435-F437 HydrophobicContact CG-CE2 4.25Å; F437-V442 HydrophobicContact CD1-CG2 3.97Å; F437-V442 HydrophobicContact CE1-CG2 3.85Å
438	T	83.8	Confident	87.3	Confident	44 Å²	44	54 Å²	54	27%	0.27	28%	0.277	S	S	.	.			trans	-93.9	-173.6	163.5	73.3	0	0	0	0	109	H364 S440 S441 I443	H364-T438 PolarHBondContact CE1-O 3Å; H364-T438 VanDerWaalsContact CE1-O 3.23Å; H364-T438 PolarHBondContact NE2-O 3.19Å; T438-S440 PolarHBondContact O-N 3.06Å; T438-S440 PolarHBondContact OG1-N 3.14Å; T438-S441 PolarHBondContact N-O 2.78Å; T438-S441 WeakPolarHBondContact OG1-CA 3.43Å; T438-S441 PolarHBondContact OG1-N 2.59Å; T438-S441 PolarHBondContact OG1-O 2.94Å; T438-S441 PolarHBondContact OG1-OG 2.99Å; T438-I443 HydrophobicContact CG2-CD1 3.73Å; T438-I443 HydrophobicContact CG2-CG1 4.16Å
439	E	75	Confident	87.5	Confident	145 Å²	145	55.1 Å²	55.1	68%	0.678	28%	0.283	S	S	*	.	S	Bend	trans	-64.1	-27.1	177.9	-66.9	-173.9	168.9	0	0	113.7	I366 H367	I366-E439 HydrophobicContact CD1-CG 4.03Å; H367-E439 PolarHBondContact NE2-O 2.85Å; H367-E439 VanDerWaalsContact NE2-O 3.15Å
440	S	69.9	Low	86.8	Confident	72 Å²	72	51.3 Å²	51.3	50%	0.503	28%	0.279	S	S	.	.	S	Bend	trans	-140.1	-1.6	-171.2	61.7	0	0	0	0	115	H397 T438	H397-S440 PolarHBondContact ND1-O 2.93Å; T438-S440 PolarHBondContact O-N 3.06Å; T438-S440 PolarHBondContact OG1-N 3.14Å
441	S	81.3	Confident	86	Confident	39 Å²	39	53.4 Å²	53.4	27%	0.273	29%	0.289	S	S	.	.			trans	-146.6	170.9	-178	75.2	0	0	0	0	112.9	T438	T438-S441 PolarHBondContact N-O 2.78Å; T438-S441 WeakPolarHBondContact OG1-CA 3.43Å; T438-S441 PolarHBondContact OG1-N 2.59Å; T438-S441 PolarHBondContact OG1-O 2.94Å; T438-S441 PolarHBondContact OG1-OG 2.99Å
442	V	87.8	Confident	85.2	Confident	5 Å²	5	53 Å²	53	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.9	173.5	-174.5	0	0	0	0	108.4	W384 L386 P435 F437 F444	W384-V442 HydrophobicContact CE3-CB 4.18Å; W384-V442 HydrophobicContact CE3-CG2 4.43Å; W384-V442 HydrophobicContact CH2-CB 4.05Å; W384-V442 HydrophobicContact CH2-CG2 4.49Å; W384-V442 HydrophobicContact CZ2-CB 4.33Å; W384-V442 WeakPolarHBondContact CZ2-O 3.47Å; W384-V442 HydrophobicContact CZ3-CB 3.96Å; W384-V442 HydrophobicContact CZ3-CG2 4.07Å; L386-V442 HydrophobicContact CB-CG2 4.16Å; L386-V442 HydrophobicContact CD1-CG2 4.37Å; L386-V442 HydrophobicContact CD2-CG2 3.86Å; L386-V442 HydrophobicContact CG-CG2 4.35Å; P435-V442 HydrophobicContact CB-CG1 3.6Å; F437-V442 HydrophobicContact CD1-CG2 3.97Å; F437-V442 HydrophobicContact CE1-CG2 3.85Å; V442-F444 HydrophobicContact CB-CE2 4.33Å; V442-F444 HydrophobicContact CG1-CD2 4.25Å; V442-F444 HydrophobicContact CG1-CE1 4.42Å; V442-F444 HydrophobicContact CG1-CE2 3.7Å; V442-F444 HydrophobicContact CG1-CZ 3.81Å
443	I	89.5	Confident	84.1	Confident	97 Å²	97	59.7 Å²	59.7	50%	0.497	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	150.1	168.4	-60.2	172	0	0	0	106.7	P435 T436 T438	P435-I443 CarbonylContact C-O 3.59Å; P435-I443 WeakPolarHBondContact CA-O 3.46Å; T436-I443 PolarHBondContact N-O 2.7Å; T436-I443 PolarHBondContact O-N 2.76Å; T436-I443 PolarHBondContact OG1-O 3.32Å; T436-I443 VanDerWaalsContact OG1-O 3.05Å; T438-I443 HydrophobicContact CG2-CD1 3.73Å; T438-I443 HydrophobicContact CG2-CG1 4.16Å
444	F	91	Very high	83.1	Confident	21 Å²	21	63 Å²	63	9%	0.092	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.2	177.3	-71.4	-92.5	0	0	0	109.8	L373 L375 W384 I401 L433 T434 P435 V442 V446	L373-F444 HydrophobicContact CD2-CE1 4.31Å; L373-F444 HydrophobicContact CD2-CZ 4.05Å; L375-F444 HydrophobicContact CD2-CZ 4.02Å; W384-F444 HydrophobicContact CB-CE2 3.97Å; W384-F444 HydrophobicContact CB-CZ 4.13Å; W384-F444 AromaticContact CD1-CE2 3.53Å; W384-F444 HydrophobicContact CD2-CE2 4.01Å; W384-F444 AromaticContact CG-CE2 3.58Å; W384-F444 HydrophobicContact CG-CE2 3.58Å; W384-F444 HydrophobicContact CG-CZ 4.21Å; W384-F444 AromaticContact NE1-CE2 3.88Å; I401-F444 HydrophobicContact CD1-CB 3.91Å; I401-F444 HydrophobicContact CD1-CD1 4.48Å; I401-F444 HydrophobicContact CD1-CD2 3.61Å; I401-F444 HydrophobicContact CD1-CE2 4.26Å; I401-F444 HydrophobicContact CD1-CG 3.74Å; I401-F444 HydrophobicContact CG1-CD2 4.22Å; L433-F444 HydrophobicContact CB-CD1 3.94Å; T434-F444 WeakPolarHBondContact O-CA 3.06Å; P435-F444 HydrophobicContact CB-CD1 4.15Å; P435-F444 HydrophobicContact CB-CE1 3.78Å; P435-F444 HydrophobicContact CB-CZ 4.31Å; P435-F444 HydrophobicContact CG-CE1 4.49Å; V442-F444 HydrophobicContact CB-CE2 4.33Å; V442-F444 HydrophobicContact CG1-CD2 4.25Å; V442-F444 HydrophobicContact CG1-CE1 4.42Å; V442-F444 HydrophobicContact CG1-CE2 3.7Å; V442-F444 HydrophobicContact CG1-CZ 3.81Å; F444-V446 PolarHBondContact O-N 3.1Å
445	K	91.9	Very high	82.3	Confident	116 Å²	116	61.3 Å²	61.3	50%	0.504	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.7	163	-169.6	-170.1	-175.3	-161.6	0	107.7	L433 T434 E447	L433-K445 WeakPolarHBondContact CA-O 3.18Å; T434-K445 PolarHBondContact N-O 3.13Å; T434-K445 PolarHBondContact O-N 2.75Å; K445-E447 HydrophobicContact CD-CG 4.41Å; K445-E447 WeakPolarHBondContact CE-OE1 3.49Å; K445-E447 HydrophobicContact CG-CG 4.42Å; K445-E447 IonicContact NZ-OE1 2.96Å; K445-E447 PolarHBondContact NZ-OE1 3.02Å
446	V	92.1	Very high	81.6	Confident	65 Å²	65	65.3 Å²	65.3	39%	0.394	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.2	179.7	-174.2	0	0	0	0	108.8	L404 K431 L433 F444	L404-V446 HydrophobicContact CD1-CG1 3.59Å; L404-V446 HydrophobicContact CD1-CG2 4.27Å; K431-V446 HydrophobicContact CB-CG1 4.46Å; K431-V446 HydrophobicContact CD-CG1 4.17Å; L433-V446 HydrophobicContact CD2-CB 4.21Å; L433-V446 HydrophobicContact CD2-CG1 4.01Å; L433-V446 HydrophobicContact CD2-CG2 3.7Å; F444-V446 PolarHBondContact O-N 3.1Å
447	E	91	Very high	81	Confident	70 Å²	70	64.8 Å²	64.8	33%	0.327	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.6	176.7	-63.1	175.3	141.7	0	0	109.1	K431 K432 K445 L449	K431-E447 CarbonylContact C-O 3.51Å; K431-E447 WeakPolarHBondContact CA-O 3.18Å; K432-E447 HydrophobicContact CB-CB 4.4Å; K432-E447 PolarHBondContact N-O 3.5Å; K432-E447 PolarHBondContact O-N 3.24Å; K445-E447 HydrophobicContact CD-CG 4.41Å; K445-E447 WeakPolarHBondContact CE-OE1 3.49Å; K445-E447 HydrophobicContact CG-CG 4.42Å; K445-E447 IonicContact NZ-OE1 2.96Å; K445-E447 PolarHBondContact NZ-OE1 3.02Å; E447-L449 PolarHBondContact O-N 3.37Å
448	D	86.9	Confident	81	Confident	102 Å²	102	65.2 Å²	65.2	55%	0.545	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.8	173.1	-64.5	-39.1	0	0	0	109.1	K431 A450	K431-D448 WeakPolarHBondContact CE-OD1 3.26Å; K431-D448 IonicContact NZ-OD1 3.58Å; K431-D448 PolarHBondContact NZ-OD1 3.32Å; D448-A450 PolarHBondContact O-N 3.36Å
449	L	83.3	Confident	81.2	Confident	24 Å²	24	66.5 Å²	66.5	13%	0.126	37%	0.365	C	S	.	.			trans	-78.6	114	178.3	-167	72.3	0	0	0	108	P37 I430 E447 Q451 L498	P37-L449 HydrophobicContact CB-CD1 4.45Å; P37-L449 HydrophobicContact CB-CG 4.46Å; P37-L449 HydrophobicContact CG-CD1 3.5Å; P37-L449 VanDerWaalsContact CG-CD1 3.5Å; P37-L449 HydrophobicContact CG-CD2 4.41Å; P37-L449 HydrophobicContact CG-CG 3.62Å; I430-L449 HydrophobicContact CB-CB 4.09Å; I430-L449 HydrophobicContact CB-CD2 4.27Å; I430-L449 HydrophobicContact CD1-CD2 4.41Å; I430-L449 HydrophobicContact CG2-CB 4.01Å; I430-L449 HydrophobicContact CG2-CD2 3.68Å; I430-L449 HydrophobicContact CG2-CG 4.49Å; I430-L449 WeakPolarHBondContact O-CB 3.48Å; I430-L449 PolarHBondContact O-N 2.94Å; E447-L449 PolarHBondContact O-N 3.37Å; L449-Q451 WeakPolarHBondContact O-CG 3.13Å; L449-Q451 PolarHBondContact O-N 2.97Å; L449-Q451 VanDerWaalsContact O-N 3.16Å; L449-L498 HydrophobicContact CD1-CD2 4.42Å; L449-L498 HydrophobicContact CD2-CD2 4.29Å
450	A	72.8	Confident	81.9	Confident	52 Å²	52	59.9 Å²	59.9	43%	0.43	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-56.6	122.3	-177	0	0	0	0	0	110.9	V36 P37 D448	V36-A450 HydrophobicContact CG1-CB 4.37Å; P37-A450 WeakPolarHBondContact CG-O 3.49Å; D448-A450 PolarHBondContact O-N 3.36Å
451	Q	71.9	Confident	82.9	Confident	46 Å²	46	58.9 Å²	58.9	22%	0.215	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-91	129.3	-176	-66.7	-170.8	0.1	0	0	110.7	G428 I430 L449 E453	G428-Q451 PolarHBondContact O-NE2 3.5Å; I430-Q451 HydrophobicContact CD1-CG 4.47Å; L449-Q451 WeakPolarHBondContact O-CG 3.13Å; L449-Q451 PolarHBondContact O-N 2.97Å; L449-Q451 VanDerWaalsContact O-N 3.16Å; Q451-E453 PolarHBondContact O-N 3.15Å
452	P	74.3	Confident	83.5	Confident	25 Å²	25	57 Å²	57	16%	0.162	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-57.2	140.3	167.8	-19.3	28.8	0	0	0	110	K39 T454 L455 L496	K39-P452 HydrophobicContact CB-CB 4.36Å; K39-P452 HydrophobicContact CB-CG 4.01Å; P452-T454 PolarHBondContact O-N 3.26Å; P452-L455 PolarHBondContact O-N 2.99Å; P452-L496 HydrophobicContact CG-CD2 3.68Å
453	E	70.9	Confident	83.8	Confident	179 Å²	179	56.9 Å²	56.9	84%	0.836	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-50.5	-29.8	-179.7	-64.2	177.9	174.7	0	0	113.2	Q451 L455 T456	Q451-E453 PolarHBondContact O-N 3.15Å; E453-L455 PolarHBondContact O-N 3.4Å; E453-T456 WeakPolarHBondContact O-CB 3.47Å; E453-T456 PolarHBondContact O-N 3.36Å; E453-T456 PolarHBondContact O-OG1 3.19Å
454	T	71.3	Confident	84.1	Confident	69 Å²	69	52.6 Å²	52.6	42%	0.423	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66	-14.4	178.2	67	0	0	0	0	115.3	K39 P452 R458	K39-T454 WeakPolarHBondContact CD-OG1 3.49Å; K39-T454 PolarHBondContact NZ-OG1 3.42Å; P452-T454 PolarHBondContact O-N 3.26Å; T454-R458 VanDerWaalsContact O-CD 3.3Å; T454-R458 WeakPolarHBondContact O-CD 3.4Å
455	L	76.7	Confident	84.2	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-102.1	-15.5	177.7	-70	179.5	0	0	0	112.8	P452 E453 G457 R458 H494 L496	P452-L455 PolarHBondContact O-N 2.99Å; E453-L455 PolarHBondContact O-N 3.4Å; L455-G457 PolarHBondContact O-N 2.92Å; L455-R458 WeakPolarHBondContact O-CB 3.2Å; L455-R458 PolarHBondContact O-N 3.33Å; L455-H494 HydrophobicContact CD2-CB 4.22Å; L455-L496 HydrophobicContact CD1-CD1 4.19Å; L455-L496 HydrophobicContact CD1-CD2 4.22Å
456	T	77	Confident	84.4	Confident	98 Å²	98	47 Å²	47	60%	0.601	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	129.5	-178.5	-50	0	0	0	0	110.8	E453 R458	E453-T456 WeakPolarHBondContact O-CB 3.47Å; E453-T456 PolarHBondContact O-N 3.36Å; E453-T456 PolarHBondContact O-OG1 3.19Å; T456-R458 VanDerWaalsContact C-N 3.29Å; T456-R458 PolarHBondContact O-N 3.45Å
457	G	77.3	Confident	84.3	Confident	56 Å²	56	47 Å²	47	58%	0.577	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	9	178.9	0	0	0	0	0	115.3	L455 G479	L455-G457 PolarHBondContact O-N 2.92Å; G457-G479 WeakPolarHBondContact O-CA 3.41Å; G457-G479 PolarHBondContact O-N 2.89Å
458	R	86.2	Confident	84.3	Confident	42 Å²	42	44.3 Å²	44.3	16%	0.158	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145.3	173.7	-59.4	-174.5	74.7	156.5	-1.8	110.5	T454 L455 T456 S476 A477 Q492	T454-R458 VanDerWaalsContact O-CD 3.3Å; T454-R458 WeakPolarHBondContact O-CD 3.4Å; L455-R458 WeakPolarHBondContact O-CB 3.2Å; L455-R458 PolarHBondContact O-N 3.33Å; T456-R458 VanDerWaalsContact C-N 3.29Å; T456-R458 PolarHBondContact O-N 3.45Å; R458-S476 VanDerWaalsContact CZ-OG 3.29Å; R458-S476 PolarHBondContact NE-OG 3.09Å; R458-S476 VanDerWaalsContact NE-OG 3.12Å; R458-S476 PolarHBondContact NH2-OG 3.24Å; R458-A477 WeakPolarHBondContact CA-O 3.34Å; R458-A477 WeakPolarHBondContact CB-O 3.12Å; R458-Q492 VanDerWaalsContact CZ-OE1 3.29Å
459	W	87.6	Confident	84.5	Confident	71 Å²	71	39.5 Å²	39.5	27%	0.269	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	135.3	172.6	-65.1	-26.3	0	0	0	110	S476 A477 I480 H485	W459-S476 CarbonylContact O-C 3.52Å; W459-S476 WeakPolarHBondContact O-CA 3.49Å; W459-A477 PolarHBondContact N-O 3.19Å; W459-A477 PolarHBondContact O-N 3.23Å; W459-I480 HydrophobicContact CZ2-CD1 4.48Å; W459-I480 HydrophobicContact CZ2-CG1 4.02Å; W459-H485 AromaticContact CH2-CE1 3.98Å; W459-H485 AromaticContact CH2-ND1 3.74Å
460	I	89.9	Confident	84.9	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.9	177	-56.3	-175.7	0	0	0	109.2	C424 G428 I430 I463 L474 V475	C424-I460 VanDerWaalsContact SG-CB 3.56Å; C424-I460 WeakPolarHBondContact SG-CG2 3.49Å; G428-I460 VanDerWaalsContact CA-CD1 3.48Å; G428-I460 WeakPolarHBondContact O-CD1 3.26Å; I430-I460 HydrophobicContact CD1-CD1 4.4Å; I430-I460 HydrophobicContact CG1-CD1 4.35Å; I460-I463 HydrophobicContact CG2-CG2 4.32Å; I460-L474 HydrophobicContact CD1-CD2 3.87Å; I460-L474 HydrophobicContact CG2-CD2 4.35Å; I460-V475 WeakPolarHBondContact CA-O 3.41Å
461	H	90.9	Very high	85.9	Confident	51 Å²	51	36 Å²	36	24%	0.236	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-14.7	-177.6	-69.5	-80.3	0	0	0	113.3	V50 P55 V410 V475 Y491	V50-H461 HydrophobicContact CG1-CB 4.15Å; P55-H461 WeakPolarHBondContact CD-O 3.22Å; P55-H461 HydrophobicContact CG-CB 4.39Å; P55-H461 WeakPolarHBondContact CG-O 2.93Å; V410-H461 WeakPolarHBondContact CG1-O 3.48Å; H461-V475 HydrophobicContact CB-CB 4.43Å; H461-V475 PolarHBondContact N-O 2.72Å; H461-Y491 AromaticContact CD2-CE1 3.75Å; H461-Y491 AromaticContact NE2-CE1 3.46Å; H461-Y491 WeakPolarHBondContact NE2-CE1 3.33Å
462	G	92.5	Very high	87	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.4	157	178.7	0	0	0	0	0	113.2	L474 V475	G462-L474 WeakPolarHBondContact O-CA 3.35Å; G462-V475 PolarHBondContact O-N 3.01Å; G462-V475 VanDerWaalsContact O-N 3.07Å
463	I	94.4	Very high	88	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.3	176.3	58.7	165.8	0	0	0	110.9	S411 A413 Y422 C424 I460 V472 A473 L474	S411-I463 WeakPolarHBondContact OG-CG1 3.42Å; S411-I463 PolarHBondContact OG-N 2.87Å; S411-I463 PolarHBondContact OG-O 3.2Å; A413-I463 HydrophobicContact CB-CD1 4.06Å; A413-I463 HydrophobicContact CB-CG1 4.09Å; Y422-I463 VanDerWaalsContact O-CD1 3.31Å; Y422-I463 WeakPolarHBondContact O-CD1 3.44Å; C424-I463 HydrophobicContact CB-CD1 3.92Å; C424-I463 HydrophobicContact CB-CG1 4.04Å; C424-I463 HydrophobicContact CB-CG2 3.71Å; I460-I463 HydrophobicContact CG2-CG2 4.32Å; I463-V472 HydrophobicContact CB-CG2 4.36Å; I463-A473 WeakPolarHBondContact CA-O 3.31Å; I463-L474 HydrophobicContact CG2-CD2 3.47Å; I463-L474 VanDerWaalsContact CG2-CD2 3.47Å; I463-L474 HydrophobicContact CG2-CG 3.92Å
464	A	95.3	Very high	89.1	Confident	6 Å²	6	24 Å²	24	5%	0.05	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.1	172	0	0	0	0	0	110	L56 W58 L64 V472 A473	L56-A464 HydrophobicContact CD2-CB 3.78Å; L56-A464 HydrophobicContact CG-CB 3.75Å; W58-A464 HydrophobicContact CB-CB 4.11Å; L64-A464 HydrophobicContact CD1-CB 4.03Å; A464-V472 CarbonylContact O-C 3.44Å; A464-V472 WeakPolarHBondContact O-CA 3.23Å; A464-V472 WeakPolarHBondContact O-CG2 3.35Å; A464-A473 PolarHBondContact N-O 3.09Å; A464-A473 PolarHBondContact O-N 2.9Å
465	V	94.6	Very high	90.1	Very high	15 Å²	15	20.8 Å²	20.8	9%	0.091	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.8	-179.3	176.1	0	0	0	0	108.6	W58 A413 Y422 V472 L498	W58-V465 WeakPolarHBondContact CB-O 3.37Å; A413-V465 HydrophobicContact CB-CB 4.42Å; A413-V465 HydrophobicContact CB-CG2 3.7Å; Y422-V465 HydrophobicContact CD2-CG2 3.72Å; Y422-V465 HydrophobicContact CE2-CG2 4.18Å; Y422-V465 HydrophobicContact CG-CG2 4.4Å; V465-V472 HydrophobicContact CG2-CB 4.46Å; V465-V472 HydrophobicContact CG2-CG2 4.24Å; V465-L498 HydrophobicContact CG1-CD1 4.13Å; V465-L498 HydrophobicContact CG2-CD1 4.39Å
466	S	94.6	Very high	90.9	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.028	12%	0.117	C	C	.	.			trans	-64.5	160.1	176.1	74.1	0	0	0	0	111	N468 G469 A470 Y471 D521	S466-N468 VanDerWaalsContact C-N 3.28Å; S466-N468 PolarHBondContact O-N 3.05Å; S466-N468 VanDerWaalsContact O-N 3.14Å; S466-G469 PolarHBondContact O-N 3.5Å; S466-G469 PolarHBondContact OG-N 2.97Å; S466-A470 PolarHBondContact OG-N 2.89Å; S466-Y471 PolarHBondContact N-O 2.95Å; S466-Y471 PolarHBondContact OG-N 3.44Å; S466-D521 VanDerWaalsContact CB-OD2 3.3Å; S466-D521 WeakPolarHBondContact CB-OD2 3.4Å; S466-D521 PolarHBondContact OG-OD2 3.48Å
467	H	90.9	Very high	91.5	Very high	67 Å²	67	16 Å²	16	31%	0.31	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-42.3	-171.1	-177.8	56	0	0	0	114
468	N	90.9	Very high	92	Very high	12 Å²	12	14.8 Å²	14.8	6%	0.064	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.2	177.9	-57.9	-71.6	0	0	0	113	Q417 S466 A470 K499 K518 D521 L522	Q417-N468 PolarHBondContact NE2-OD1 2.96Å; Q417-N468 PolarHBondContact OE1-O 3.13Å; S466-N468 VanDerWaalsContact C-N 3.28Å; S466-N468 PolarHBondContact O-N 3.05Å; S466-N468 VanDerWaalsContact O-N 3.14Å; N468-A470 VanDerWaalsContact C-N 3.26Å; N468-A470 PolarHBondContact O-N 2.81Å; N468-K499 WeakPolarHBondContact O-CE 3.34Å; N468-K518 PolarHBondContact ND2-O 2.94Å; N468-D521 WeakPolarHBondContact CB-OD1 3.44Å; N468-D521 WeakPolarHBondContact CB-OD2 3.38Å; N468-D521 PolarHBondContact N-OD2 3.41Å; N468-D521 PolarHBondContact ND2-OD1 3.02Å; N468-L522 HydrophobicContact CB-CD1 3.86Å; N468-L522 HydrophobicContact CB-CD2 4.18Å; N468-L522 HydrophobicContact CB-CG 3.8Å
469	G	91.3	Very high	91.7	Very high	2 Å²	2	12.9 Å²	12.9	2%	0.021	6%	0.064	C	C	.	.	S	Bend	trans	65.3	26.9	179.2	0	0	0	0	0	114.2	S466 L498 K499	S466-G469 PolarHBondContact O-N 3.5Å; S466-G469 PolarHBondContact OG-N 2.97Å; G469-L498 WeakPolarHBondContact O-CB 3.35Å; G469-K499 WeakPolarHBondContact O-CE 3.3Å
470	A	92.5	Very high	91.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-67.4	-39.4	171.3	0	0	0	0	0	111.7	S466 N468 L498 D521 L522 L525	S466-A470 PolarHBondContact OG-N 2.89Å; N468-A470 VanDerWaalsContact C-N 3.26Å; N468-A470 PolarHBondContact O-N 2.81Å; A470-L498 PolarHBondContact O-N 2.86Å; A470-D521 HydrophobicContact CB-CB 3.8Å; A470-L522 HydrophobicContact CB-CD2 3.96Å; A470-L525 HydrophobicContact CB-CD1 3.68Å; A470-L525 HydrophobicContact CB-CG 4.35Å
471	Y	93.6	Very high	90.5	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.3	-175	-58.1	-73	0	0	0	112.2	R40 L77 L88 S466 L496 D521 L525	R40-Y471 HydrophobicContact CG-CD1 4.44Å; R40-Y471 HydrophobicContact CG-CE1 3.98Å; L77-Y471 HydrophobicContact CD2-CD2 4.35Å; L77-Y471 HydrophobicContact CD2-CE2 4.32Å; L88-Y471 HydrophobicContact CD2-CE1 4.34Å; L88-Y471 HydrophobicContact CD2-CE2 4.31Å; S466-Y471 PolarHBondContact N-O 2.95Å; S466-Y471 PolarHBondContact OG-N 3.44Å; Y471-L496 CarbonylContact C-O 3.57Å; Y471-L496 VanDerWaalsContact CA-O 3.26Å; Y471-L496 WeakPolarHBondContact CA-O 3.24Å; Y471-D521 HydrophobicContact CD2-CB 4.24Å; Y471-D521 HydrophobicContact CE2-CB 4.39Å; Y471-D521 WeakPolarHBondContact CE2-O 3.38Å; Y471-L525 HydrophobicContact CE1-CD2 3.58Å; Y471-L525 HydrophobicContact CE1-CG 4.25Å; Y471-L525 HydrophobicContact CE2-CD2 4.48Å; Y471-L525 HydrophobicContact CE2-CG 4.3Å; Y471-L525 WeakPolarHBondContact OH-CD2 3.43Å; Y471-L525 WeakPolarHBondContact OH-CG 3.41Å
472	V	93.8	Very high	89.4	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.5	160.3	61.6	0	0	0	0	109.1	I463 A464 V465 L474 F495 L496 L498	I463-V472 HydrophobicContact CB-CG2 4.36Å; A464-V472 CarbonylContact O-C 3.44Å; A464-V472 WeakPolarHBondContact O-CA 3.23Å; A464-V472 WeakPolarHBondContact O-CG2 3.35Å; V465-V472 HydrophobicContact CG2-CB 4.46Å; V465-V472 HydrophobicContact CG2-CG2 4.24Å; V472-L474 HydrophobicContact CG1-CD1 4.18Å; V472-F495 WeakPolarHBondContact O-CA 3.33Å; V472-L496 HydrophobicContact CG1-CB 3.69Å; V472-L496 HydrophobicContact CG1-CD1 4.25Å; V472-L496 HydrophobicContact CG1-CG 4.28Å; V472-L496 PolarHBondContact N-O 3.45Å; V472-L496 PolarHBondContact O-N 2.86Å; V472-L498 HydrophobicContact CB-CD1 3.97Å; V472-L498 HydrophobicContact CB-CD2 4.24Å; V472-L498 HydrophobicContact CB-CG 4.11Å; V472-L498 HydrophobicContact CG1-CD1 4.4Å; V472-L498 HydrophobicContact CG1-CD2 3.77Å; V472-L498 HydrophobicContact CG1-CG 4.02Å
473	A	95.1	Very high	88.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.3	171.7	0	0	0	0	0	109.4	L56 W58 L64 I463 A464 I493 H494 F495	L56-A473 HydrophobicContact CD2-CB 4.07Å; L56-A473 VanDerWaalsContact CD2-O 3.23Å; L56-A473 WeakPolarHBondContact CD2-O 3.45Å; W58-A473 HydrophobicContact CE3-CB 3.91Å; W58-A473 HydrophobicContact CH2-CB 4.36Å; W58-A473 HydrophobicContact CZ3-CB 3.55Å; L64-A473 HydrophobicContact CD1-CB 4.05Å; L64-A473 HydrophobicContact CD2-CB 3.57Å; L64-A473 HydrophobicContact CG-CB 4.49Å; I463-A473 WeakPolarHBondContact CA-O 3.31Å; A464-A473 PolarHBondContact N-O 3.09Å; A464-A473 PolarHBondContact O-N 2.9Å; A473-I493 HydrophobicContact CB-CG2 4.46Å; A473-H494 CarbonylContact C-O 3.56Å; A473-H494 VanDerWaalsContact CA-O 3.3Å; A473-H494 WeakPolarHBondContact CA-O 3.02Å; A473-F495 HydrophobicContact CB-CD1 3.98Å; A473-F495 HydrophobicContact CB-CE1 3.83Å
474	L	94	Very high	87.7	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.4	179.4	-59.4	110.8	0	0	0	110.4	I430 I460 G462 I463 V472 I493 H494 L496	I430-L474 HydrophobicContact CD1-CD2 3.31Å; I430-L474 HydrophobicContact CG1-CD2 3.96Å; I460-L474 HydrophobicContact CD1-CD2 3.87Å; I460-L474 HydrophobicContact CG2-CD2 4.35Å; G462-L474 WeakPolarHBondContact O-CA 3.35Å; I463-L474 HydrophobicContact CG2-CD2 3.47Å; I463-L474 VanDerWaalsContact CG2-CD2 3.47Å; I463-L474 HydrophobicContact CG2-CG 3.92Å; V472-L474 HydrophobicContact CG1-CD1 4.18Å; L474-I493 CarbonylContact O-C 3.57Å; L474-I493 VanDerWaalsContact O-CA 3.27Å; L474-I493 WeakPolarHBondContact O-CA 2.97Å; L474-H494 PolarHBondContact N-O 3.12Å; L474-H494 PolarHBondContact O-N 2.77Å; L474-L496 HydrophobicContact CD1-CD1 3.52Å; L474-L496 HydrophobicContact CD1-CG 3.6Å
475	V	93.8	Very high	86.7	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.8	170.4	-167.9	0	0	0	0	109.5	L46 V50 L56 V66 I460 H461 G462 Q492 I493	L46-V475 HydrophobicContact CD1-CG1 3.95Å; V50-V475 HydrophobicContact CG2-CG1 3.43Å; V50-V475 VanDerWaalsContact CG2-CG1 3.43Å; L56-V475 HydrophobicContact CB-CG2 4.08Å; L56-V475 HydrophobicContact CD1-CG2 3.65Å; L56-V475 HydrophobicContact CD2-CG2 3.86Å; L56-V475 HydrophobicContact CG-CG2 4.06Å; V66-V475 HydrophobicContact CG1-CG2 4.14Å; I460-V475 WeakPolarHBondContact CA-O 3.41Å; H461-V475 HydrophobicContact CB-CB 4.43Å; H461-V475 PolarHBondContact N-O 2.72Å; G462-V475 PolarHBondContact O-N 3.01Å; G462-V475 VanDerWaalsContact O-N 3.07Å; V475-Q492 WeakPolarHBondContact CA-O 3.44Å; V475-I493 HydrophobicContact CG2-CG1 4.34Å
476	S	91.8	Very high	85.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.1	-179.1	88	0	0	0	0	113	R458 W459 Y491 Q492 H494	R458-S476 VanDerWaalsContact CZ-OG 3.29Å; R458-S476 PolarHBondContact NE-OG 3.09Å; R458-S476 VanDerWaalsContact NE-OG 3.12Å; R458-S476 PolarHBondContact NH2-OG 3.24Å; W459-S476 CarbonylContact O-C 3.52Å; W459-S476 WeakPolarHBondContact O-CA 3.49Å; S476-Y491 WeakPolarHBondContact O-CA 3.36Å; S476-Q492 PolarHBondContact N-O 3.21Å; S476-Q492 PolarHBondContact O-N 3.11Å; S476-H494 PolarHBondContact OG-CD2 3.27Å; S476-H494 VanDerWaalsContact OG-CD2 3.31Å; S476-H494 PolarHBondContact OG-NE2 2.84Å
477	A	90.6	Very high	84.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.7	166.6	0	0	0	0	0	109.6	R458 W459 G479 Y491	R458-A477 WeakPolarHBondContact CA-O 3.34Å; R458-A477 WeakPolarHBondContact CB-O 3.12Å; W459-A477 PolarHBondContact N-O 3.19Å; W459-A477 PolarHBondContact O-N 3.23Å; A477-G479 PolarHBondContact O-N 3.05Å; A477-Y491 HydrophobicContact CB-CD1 3.82Å; A477-Y491 HydrophobicContact CB-CE1 3.78Å; A477-Y491 HydrophobicContact CB-CG 4.39Å
478	P	86.7	Confident	83.5	Confident	32 Å²	32	50.9 Å²	50.9	21%	0.208	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	129.3	173.4	-20.5	31.6	0	0	0	109.9	P486 N490	P478-P486 HydrophobicContact CB-CB 4.27Å; P478-P486 HydrophobicContact CB-CG 4.11Å; P478-N490 WeakPolarHBondContact CD-O 3.29Å
479	G	81.8	Confident	83	Confident	2 Å²	2	55 Å²	55	2%	0.021	30%	0.295	C	S	.	.			trans	-80.3	-159.3	172.5	0	0	0	0	0	111.5	G457 A477 V481 P486	G457-G479 WeakPolarHBondContact O-CA 3.41Å; G457-G479 PolarHBondContact O-N 2.89Å; A477-G479 PolarHBondContact O-N 3.05Å; G479-V481 PolarHBondContact O-N 2.89Å; G479-P486 WeakPolarHBondContact O-CD 3.2Å
480	I	80.6	Confident	82.7	Confident	93 Å²	93	59.8 Å²	59.8	48%	0.477	32%	0.32	S	S	.	.			trans	-71.3	124.7	176.8	-62.6	175.3	0	0	0	108.8	W459	W459-I480 HydrophobicContact CZ2-CD1 4.48Å; W459-I480 HydrophobicContact CZ2-CG1 4.02Å
481	V	71.8	Confident	82.7	Confident	104 Å²	104	61 Å²	61	63%	0.63	33%	0.325	S	S	*	.	B	Isolated β-bridge	trans	-115.8	121.3	177.4	-176.9	0	0	0	0	108.1	G479 S483 F484	G479-V481 PolarHBondContact O-N 2.89Å; V481-S483 VanDerWaalsContact C-N 3.29Å; V481-S483 PolarHBondContact O-N 2.91Å; V481-F484 PolarHBondContact N-O 2.84Å; V481-F484 VanDerWaalsContact N-O 3.1Å; V481-F484 PolarHBondContact O-N 2.95Å; V481-F484 VanDerWaalsContact O-N 3.1Å
482	G	67.9	Low	82.7	Confident	62 Å²	62	63.3 Å²	63.3	64%	0.639	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	36.2	179	0	0	0	0	0	114.2	F484	G482-F484 WeakPolarHBondContact O-CD2 3.44Å; G482-F484 WeakPolarHBondContact O-CE2 3.39Å; G482-F484 PolarHBondContact O-N 3.21Å
483	S	76.1	Confident	82.8	Confident	115 Å²	115	63.3 Å²	63.3	80%	0.804	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	8.3	-175.5	-52.4	0	0	0	0	116	V481	V481-S483 VanDerWaalsContact C-N 3.29Å; V481-S483 PolarHBondContact O-N 2.91Å
484	F	74.1	Confident	82.7	Confident	157 Å²	157	63.3 Å²	63.3	69%	0.689	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-111.1	146.2	175	-62.3	-80.2	0	0	0	111.9	V481 G482	V481-F484 PolarHBondContact N-O 2.84Å; V481-F484 VanDerWaalsContact N-O 3.1Å; V481-F484 PolarHBondContact O-N 2.95Å; V481-F484 VanDerWaalsContact O-N 3.1Å; G482-F484 WeakPolarHBondContact O-CD2 3.44Å; G482-F484 WeakPolarHBondContact O-CE2 3.39Å; G482-F484 PolarHBondContact O-N 3.21Å
485	H	74.4	Confident	82.7	Confident	131 Å²	131	63.4 Å²	63.4	61%	0.606	34%	0.336	S	S	*	.			trans	-71.8	136.8	166.9	-70.5	-65.2	0	0	0	109.8	W459 F487	W459-H485 AromaticContact CH2-CE1 3.98Å; W459-H485 AromaticContact CH2-ND1 3.74Å; H485-F487 PolarHBondContact O-N 2.83Å
486	P	75.5	Confident	82.6	Confident	31 Å²	31	63.4 Å²	63.4	20%	0.201	34%	0.336	C	S	.	.			trans	-64.1	129.9	179.2	26.4	-33.7	0	0	0	110	P478 G479 H488 K489	P478-P486 HydrophobicContact CB-CB 4.27Å; P478-P486 HydrophobicContact CB-CG 4.11Å; G479-P486 WeakPolarHBondContact O-CD 3.2Å; P486-H488 VanDerWaalsContact C-N 3.27Å; P486-H488 PolarHBondContact O-N 2.49Å; P486-K489 HydrophobicContact CG-CG 4.28Å
487	F	67.1	Low	82.6	Confident	193 Å²	193	64 Å²	64	85%	0.846	34%	0.339	S	S	*	.	S	Bend	trans	-63.4	-34.2	178.9	-170.1	-94.3	0	0	0	112	H485	H485-F487 PolarHBondContact O-N 2.83Å
488	H	70.4	Confident	82.6	Confident	134 Å²	134	65.1 Å²	65.1	62%	0.62	35%	0.345	S	S	*	.	S	Bend	trans	-119.1	121.1	171.2	-75.1	-67.6	0	0	0	111.1	P486 N490	P486-H488 VanDerWaalsContact C-N 3.27Å; P486-H488 PolarHBondContact O-N 2.49Å; H488-N490 PolarHBondContact O-N 2.96Å
489	K	79.8	Confident	82.8	Confident	97 Å²	97	64 Å²	64	42%	0.422	34%	0.337	S	S	.	.			trans	-88.6	98.9	172.3	-67.6	-177.5	-178.2	177.5	0	109.6	P486 Y491	P486-K489 HydrophobicContact CG-CG 4.28Å; K489-Y491 HydrophobicContact CB-CD2 4.28Å; K489-Y491 HydrophobicContact CB-CE2 3.63Å; K489-Y491 VanDerWaalsContact O-CD2 3.24Å; K489-Y491 WeakPolarHBondContact O-CD2 3.41Å; K489-Y491 PolarHBondContact O-N 3.14Å
490	N	86.4	Confident	83.2	Confident	103 Å²	103	65.6 Å²	65.6	55%	0.551	35%	0.346	S	S	*	.			trans	-87.3	103.6	174	-68.1	-11.6	0	0	0	109.7	P478 H488	P478-N490 WeakPolarHBondContact CD-O 3.29Å; H488-N490 PolarHBondContact O-N 2.96Å
491	Y	92	Very high	83.8	Confident	25 Å²	25	61.8 Å²	61.8	10%	0.098	33%	0.327	C	S	.	.			trans	-77.7	136	179.8	-65.7	-100	0	0	0	110.7	L46 P49 V50 H461 S476 A477 K489	L46-Y491 PolarHBondContact N-O 3.28Å; P49-Y491 HydrophobicContact CB-CD2 4.23Å; P49-Y491 HydrophobicContact CB-CE2 3.65Å; P49-Y491 HydrophobicContact CG-CE2 4.19Å; V50-Y491 HydrophobicContact CB-CD1 3.86Å; V50-Y491 HydrophobicContact CB-CE1 3.87Å; V50-Y491 HydrophobicContact CG2-CD1 3.32Å; V50-Y491 HydrophobicContact CG2-CE1 3.88Å; V50-Y491 HydrophobicContact CG2-CG 3.92Å; H461-Y491 AromaticContact CD2-CE1 3.75Å; H461-Y491 AromaticContact NE2-CE1 3.46Å; H461-Y491 WeakPolarHBondContact NE2-CE1 3.33Å; S476-Y491 WeakPolarHBondContact O-CA 3.36Å; A477-Y491 HydrophobicContact CB-CD1 3.82Å; A477-Y491 HydrophobicContact CB-CE1 3.78Å; A477-Y491 HydrophobicContact CB-CG 4.39Å; K489-Y491 HydrophobicContact CB-CD2 4.28Å; K489-Y491 HydrophobicContact CB-CE2 3.63Å; K489-Y491 VanDerWaalsContact O-CD2 3.24Å; K489-Y491 WeakPolarHBondContact O-CD2 3.41Å; K489-Y491 PolarHBondContact O-N 3.14Å
492	Q	93.4	Very high	84.8	Confident	50 Å²	50	61.8 Å²	61.8	23%	0.234	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.2	-175.3	-71	179.8	-17.9	0	0	111	V43 V44 R458 V475 S476	V43-Q492 HydrophobicContact CG1-CB 3.79Å; V43-Q492 HydrophobicContact CG1-CG 4.08Å; V44-Q492 CarbonylContact O-C 3.46Å; V44-Q492 WeakPolarHBondContact O-CA 3.26Å; R458-Q492 VanDerWaalsContact CZ-OE1 3.29Å; V475-Q492 WeakPolarHBondContact CA-O 3.44Å; S476-Q492 PolarHBondContact N-O 3.21Å; S476-Q492 PolarHBondContact O-N 3.11Å
493	I	95	Very high	85.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.5	172.1	-54.6	160.6	0	0	0	108.5	V44 L46 L64 V66 L75 A473 L474 V475 F495	V44-I493 HydrophobicContact CB-CB 4.19Å; V44-I493 HydrophobicContact CG1-CD1 4.32Å; V44-I493 PolarHBondContact N-O 2.67Å; V44-I493 PolarHBondContact O-N 2.66Å; L46-I493 HydrophobicContact CD1-CD1 4.48Å; L46-I493 HydrophobicContact CD1-CG1 4.28Å; L46-I493 HydrophobicContact CD2-CD1 3.74Å; L46-I493 HydrophobicContact CD2-CG1 4.34Å; L46-I493 HydrophobicContact CG-CD1 4.16Å; L46-I493 HydrophobicContact CG-CG1 4.22Å; L64-I493 HydrophobicContact CD2-CG2 4.02Å; V66-I493 HydrophobicContact CB-CD1 4.44Å; V66-I493 HydrophobicContact CG2-CD1 3.56Å; V66-I493 HydrophobicContact CG2-CG1 4.41Å; L75-I493 HydrophobicContact CD1-CD1 3.5Å; A473-I493 HydrophobicContact CB-CG2 4.46Å; L474-I493 CarbonylContact O-C 3.57Å; L474-I493 VanDerWaalsContact O-CA 3.27Å; L474-I493 WeakPolarHBondContact O-CA 2.97Å; V475-I493 HydrophobicContact CG2-CG1 4.34Å; I493-F495 HydrophobicContact CG2-CE2 3.98Å; I493-F495 HydrophobicContact CG2-CZ 3.98Å
494	H	93.4	Very high	86.7	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143	178.7	-56.4	-91.1	0	0	0	109.7	L455 A473 L474 S476	L455-H494 HydrophobicContact CD2-CB 4.22Å; A473-H494 CarbonylContact C-O 3.56Å; A473-H494 VanDerWaalsContact CA-O 3.3Å; A473-H494 WeakPolarHBondContact CA-O 3.02Å; L474-H494 PolarHBondContact N-O 3.12Å; L474-H494 PolarHBondContact O-N 2.77Å; S476-H494 PolarHBondContact OG-CD2 3.27Å; S476-H494 VanDerWaalsContact OG-CD2 3.31Å; S476-H494 PolarHBondContact OG-NE2 2.84Å
495	F	94.2	Very high	87.6	Confident	2 Å²	2	48 Å²	48	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.1	174.4	-64	-86.5	0	0	0	109.1	R40 V44 W58 L64 L75 L88 L90 V472 A473 I493	R40-F495 HydrophobicContact CB-CB 4.19Å; R40-F495 PolarHBondContact N-O 2.91Å; V44-F495 HydrophobicContact CG2-CE2 4.19Å; W58-F495 AromaticContact CH2-CD1 3.81Å; W58-F495 HydrophobicContact CH2-CD1 3.81Å; W58-F495 AromaticContact CH2-CE1 3.73Å; W58-F495 HydrophobicContact CH2-CE1 3.73Å; W58-F495 HydrophobicContact CZ2-CE1 4.27Å; W58-F495 HydrophobicContact CZ3-CD1 4.31Å; W58-F495 HydrophobicContact CZ3-CE1 4.27Å; L64-F495 HydrophobicContact CD2-CE1 3.95Å; L64-F495 HydrophobicContact CD2-CZ 3.95Å; L75-F495 HydrophobicContact CD1-CZ 4.25Å; L88-F495 HydrophobicContact CD1-CB 3.64Å; L88-F495 HydrophobicContact CD1-CD1 4.23Å; L88-F495 HydrophobicContact CD1-CD2 3.97Å; L88-F495 HydrophobicContact CD1-CG 3.69Å; L90-F495 HydrophobicContact CD1-CD2 4.37Å; L90-F495 HydrophobicContact CD1-CE2 3.53Å; L90-F495 HydrophobicContact CD1-CZ 3.87Å; L90-F495 HydrophobicContact CD2-CZ 4.42Å; V472-F495 WeakPolarHBondContact O-CA 3.33Å; A473-F495 HydrophobicContact CB-CD1 3.98Å; A473-F495 HydrophobicContact CB-CE1 3.83Å; I493-F495 HydrophobicContact CG2-CE2 3.98Å; I493-F495 HydrophobicContact CG2-CZ 3.98Å
496	L	92.6	Very high	88.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.8	172.4	-50.9	178.1	0	0	0	109.3	P37 K39 I430 P452 L455 Y471 V472 L474	P37-L496 HydrophobicContact CB-CB 4.5Å; K39-L496 HydrophobicContact CB-CD2 3.96Å; K39-L496 HydrophobicContact CG-CD2 4.27Å; I430-L496 HydrophobicContact CD1-CD1 4.47Å; P452-L496 HydrophobicContact CG-CD2 3.68Å; L455-L496 HydrophobicContact CD1-CD1 4.19Å; L455-L496 HydrophobicContact CD1-CD2 4.22Å; Y471-L496 CarbonylContact C-O 3.57Å; Y471-L496 VanDerWaalsContact CA-O 3.26Å; Y471-L496 WeakPolarHBondContact CA-O 3.24Å; V472-L496 HydrophobicContact CG1-CB 3.69Å; V472-L496 HydrophobicContact CG1-CD1 4.25Å; V472-L496 HydrophobicContact CG1-CG 4.28Å; V472-L496 PolarHBondContact N-O 3.45Å; V472-L496 PolarHBondContact O-N 2.86Å; L474-L496 HydrophobicContact CD1-CD1 3.52Å; L474-L496 HydrophobicContact CD1-CG 3.6Å
497	M	91.9	Very high	89.2	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.059	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.4	172.6	-176.9	177.7	-60.5	0	0	109.8	P37 V38 R40 K499 L525 W528	P37-M497 WeakPolarHBondContact CA-O 3.35Å; V38-M497 HydrophobicContact CB-CB 4.22Å; V38-M497 WeakPolarHBondContact O-CB 3.43Å; V38-M497 PolarHBondContact O-N 3.26Å; R40-M497 HydrophobicContact CG-CE 4.41Å; M497-K499 WeakPolarHBondContact CG-O 3.36Å; M497-L525 HydrophobicContact CE-CD2 3.26Å; M497-L525 HydrophobicContact CG-CD2 3.7Å; M497-L525 HydrophobicContact SD-CD2 3.72Å; M497-W528 HydrophobicContact CE-CD2 4.32Å; M497-W528 HydrophobicContact CE-CE3 3.53Å; M497-W528 HydrophobicContact CE-CH2 3.85Å; M497-W528 HydrophobicContact CE-CZ3 3.25Å; M497-W528 HydrophobicContact SD-CZ3 4.04Å
498	L	89.9	Confident	90.4	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.12	19%	0.189	C	C	.	.			trans	-98.4	-22.6	175	-68.7	-178.7	0	0	0	112.8	Y422 L449 V465 G469 A470 V472	Y422-L498 HydrophobicContact CE1-CD1 4.28Å; Y422-L498 HydrophobicContact CE1-CD2 3.79Å; Y422-L498 HydrophobicContact CE2-CD1 3.99Å; L449-L498 HydrophobicContact CD1-CD2 4.42Å; L449-L498 HydrophobicContact CD2-CD2 4.29Å; V465-L498 HydrophobicContact CG1-CD1 4.13Å; V465-L498 HydrophobicContact CG2-CD1 4.39Å; G469-L498 WeakPolarHBondContact O-CB 3.35Å; A470-L498 PolarHBondContact O-N 2.86Å; V472-L498 HydrophobicContact CB-CD1 3.97Å; V472-L498 HydrophobicContact CB-CD2 4.24Å; V472-L498 HydrophobicContact CB-CG 4.11Å; V472-L498 HydrophobicContact CG1-CD1 4.4Å; V472-L498 HydrophobicContact CG1-CD2 3.77Å; V472-L498 HydrophobicContact CG1-CG 4.02Å
499	K	90.6	Very high	91.4	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.039	16%	0.164	C	C	.	.	S	Bend	trans	-123.8	141.9	-177.6	-69.7	177.8	-178.7	-68.4	0	111	E418 N468 G469 M497 L507 L522 L525	E418-K499 IonicContact OE1-NZ 2.72Å; E418-K499 PolarHBondContact OE1-NZ 2.84Å; N468-K499 WeakPolarHBondContact O-CE 3.34Å; G469-K499 WeakPolarHBondContact O-CE 3.3Å; M497-K499 WeakPolarHBondContact CG-O 3.36Å; K499-L507 HydrophobicContact CD-CD1 3.84Å; K499-L522 HydrophobicContact CD-CD2 3.92Å; K499-L525 HydrophobicContact CB-CD1 4.05Å
500	T	91.1	Very high	91.8	Very high	36 Å²	36	33 Å²	33	22%	0.221	17%	0.174	C	C	.	.			trans	-68.6	153.5	169.2	61.8	0	0	0	0	110.8	D35 E502 A503 A504	D35-T500 WeakPolarHBondContact OD1-CG2 3.4Å; T500-E502 WeakPolarHBondContact CB-OE2 3.44Å; T500-E502 PolarHBondContact O-N 3.26Å; T500-A503 PolarHBondContact O-N 3.32Å; T500-A503 WeakPolarHBondContact OG1-CB 3.43Å; T500-A503 PolarHBondContact OG1-N 3.36Å; T500-A504 PolarHBondContact O-N 3.34Å
501	P	92.3	Very high	91.7	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.078	15%	0.153	C	C	.	.	H	α-helix	trans	-54.5	-34.7	172.9	-29.5	38.6	0	0	0	113.9	A504 A505 W528 Q529	P501-A504 PolarHBondContact O-N 3.48Å; P501-A505 WeakPolarHBondContact O-CB 3.38Å; P501-A505 PolarHBondContact O-N 3.22Å; P501-W528 HydrophobicContact CG-CE3 4.03Å; P501-W528 HydrophobicContact CG-CZ3 3.91Å; P501-Q529 HydrophobicContact CB-CB 3.74Å; P501-Q529 VanDerWaalsContact CB-CD 3.46Å; P501-Q529 HydrophobicContact CB-CG 4.11Å; P501-Q529 HydrophobicContact CG-CB 4Å; P501-Q529 HydrophobicContact CG-CG 4.45Å
502	E	92	Very high	91.2	Very high	104 Å²	104	33.5 Å²	33.5	49%	0.486	19%	0.186	S	C	.	.	H	α-helix	trans	-67.5	-43.1	177.6	-63.2	71	-155.3	0	0	111.6	T500 A504 A505 S506 Q529	T500-E502 WeakPolarHBondContact CB-OE2 3.44Å; T500-E502 PolarHBondContact O-N 3.26Å; E502-A504 VanDerWaalsContact C-N 3.33Å; E502-A505 PolarHBondContact O-N 3.3Å; E502-S506 PolarHBondContact O-N 2.94Å; E502-Q529 PolarHBondContact OE1-NE2 3.03Å
503	A	91.4	Very high	90.5	Very high	36 Å²	36	36.1 Å²	36.1	30%	0.298	20%	0.199	S	C	.	.	H	α-helix	trans	-64.7	-40	174.5	0	0	0	0	0	111.2	T500 S506 L507	T500-A503 PolarHBondContact O-N 3.32Å; T500-A503 WeakPolarHBondContact OG1-CB 3.43Å; T500-A503 PolarHBondContact OG1-N 3.36Å; A503-S506 PolarHBondContact O-N 3.44Å; A503-L507 WeakPolarHBondContact O-CG 3.25Å; A503-L507 PolarHBondContact O-N 2.85Å
504	A	92.6	Very high	90.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-44.8	175.7	0	0	0	0	0	112	T500 P501 E502 S506 L507 L508 L522 L525 V526	T500-A504 PolarHBondContact O-N 3.34Å; P501-A504 PolarHBondContact O-N 3.48Å; E502-A504 VanDerWaalsContact C-N 3.33Å; A504-S506 PolarHBondContact O-N 3.22Å; A504-L507 PolarHBondContact O-N 3.42Å; A504-L508 WeakPolarHBondContact O-CG 3.43Å; A504-L508 PolarHBondContact O-N 3.37Å; A504-L522 HydrophobicContact CB-CB 4.26Å; A504-L522 HydrophobicContact CB-CD2 3.94Å; A504-L525 HydrophobicContact CB-CB 3.98Å; A504-L525 HydrophobicContact CB-CD1 3.79Å; A504-V526 HydrophobicContact CB-CG2 4.35Å
505	A	93.8	Very high	89.9	Confident	8 Å²	8	42.6 Å²	42.6	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-44.8	175.7	0	0	0	0	0	112.3	P501 E502 L507 L508 L509 V526 L540	P501-A505 WeakPolarHBondContact O-CB 3.38Å; P501-A505 PolarHBondContact O-N 3.22Å; E502-A505 PolarHBondContact O-N 3.3Å; A505-L507 VanDerWaalsContact C-N 3.34Å; A505-L507 PolarHBondContact O-N 3.27Å; A505-L508 PolarHBondContact O-N 3.19Å; A505-L509 WeakPolarHBondContact O-CG 3.3Å; A505-L509 PolarHBondContact O-N 3.42Å; A505-L509 VanDerWaalsContact O-N 3.12Å; A505-V526 HydrophobicContact CB-CG2 4.14Å; A505-L540 HydrophobicContact CB-CD1 3.9Å; A505-L540 HydrophobicContact CB-CD2 3.98Å; A505-L540 HydrophobicContact CB-CG 4.38Å
506	S	92.4	Very high	89.7	Confident	51 Å²	51	42.8 Å²	42.8	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-40.8	176.2	-174.8	0	0	0	0	112.5	E502 A503 A504 K510	E502-S506 PolarHBondContact O-N 2.94Å; A503-S506 PolarHBondContact O-N 3.44Å; A504-S506 PolarHBondContact O-N 3.22Å; S506-K510 WeakPolarHBondContact O-CB 3.31Å; S506-K510 WeakPolarHBondContact O-CG 3.43Å; S506-K510 PolarHBondContact O-N 2.87Å
507	L	91	Very high	89.5	Confident	54 Å²	54	43.4 Å²	43.4	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-69.1	-40.5	177.1	-72	167.8	0	0	0	112.4	K499 A503 A504 A505 L509 K510 S511 L522	K499-L507 HydrophobicContact CD-CD1 3.84Å; A503-L507 WeakPolarHBondContact O-CG 3.25Å; A503-L507 PolarHBondContact O-N 2.85Å; A504-L507 PolarHBondContact O-N 3.42Å; A505-L507 VanDerWaalsContact C-N 3.34Å; A505-L507 PolarHBondContact O-N 3.27Å; L507-L509 VanDerWaalsContact C-N 3.3Å; L507-L509 PolarHBondContact O-N 2.8Å; L507-K510 CarbonylContact O-C 3.55Å; L507-K510 PolarHBondContact O-N 3.21Å; L507-S511 PolarHBondContact O-N 2.94Å; L507-L522 HydrophobicContact CB-CD1 3.98Å; L507-L522 HydrophobicContact CD1-CD2 4.48Å
508	L	91.8	Very high	89.3	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-43.5	175.5	-76.6	167.1	0	0	0	111.6	A504 A505 K510 S511 T519 L522 L523 V526 Y555	A504-L508 WeakPolarHBondContact O-CG 3.43Å; A504-L508 PolarHBondContact O-N 3.37Å; A505-L508 PolarHBondContact O-N 3.19Å; L508-K510 VanDerWaalsContact C-N 3.31Å; L508-K510 PolarHBondContact O-N 3.06Å; L508-S511 PolarHBondContact O-N 3.44Å; L508-T519 HydrophobicContact CD2-CG2 4.25Å; L508-T519 VanDerWaalsContact CD2-OG1 3.3Å; L508-T519 WeakPolarHBondContact CD2-OG1 3.38Å; L508-L522 HydrophobicContact CD1-CB 4.15Å; L508-L522 HydrophobicContact CD2-CB 3.93Å; L508-L522 HydrophobicContact CD2-CD1 4.39Å; L508-L522 HydrophobicContact CG-CB 3.88Å; L508-L522 HydrophobicContact CG-CD1 4.37Å; L508-L523 HydrophobicContact CD1-CD2 3.82Å; L508-L523 HydrophobicContact CD1-CG 4.41Å; L508-L523 HydrophobicContact CD2-CD2 3.92Å; L508-L523 HydrophobicContact CD2-CG 4.02Å; L508-V526 HydrophobicContact CD1-CG2 3.73Å; L508-Y555 WeakPolarHBondContact O-CE1 3.39Å; L508-Y555 PolarHBondContact O-OH 2.85Å
509	L	91.6	Very high	89.4	Confident	18 Å²	18	44.8 Å²	44.8	9%	0.094	24%	0.238	C	C	.	.	H	α-helix	trans	-73.7	-19.2	179.5	-66.6	171.8	0	0	0	113.9	A505 L507 L540 E543 L544 K547 L556 I559	A505-L509 WeakPolarHBondContact O-CG 3.3Å; A505-L509 PolarHBondContact O-N 3.42Å; A505-L509 VanDerWaalsContact O-N 3.12Å; L507-L509 VanDerWaalsContact C-N 3.3Å; L507-L509 PolarHBondContact O-N 2.8Å; L509-L540 HydrophobicContact CD1-CD1 3.63Å; L509-L540 HydrophobicContact CD2-CD1 4.39Å; L509-L540 HydrophobicContact CG-CD1 4.11Å; L509-E543 HydrophobicContact CD1-CB 4.06Å; L509-E543 HydrophobicContact CD1-CG 3.51Å; L509-L544 HydrophobicContact CD2-CB 4.26Å; L509-L544 HydrophobicContact CD2-CD1 3.83Å; L509-K547 PolarHBondContact O-NZ 2.82Å; L509-L556 HydrophobicContact CD2-CD2 4.25Å; L509-I559 HydrophobicContact CD2-CD1 4.4Å
510	K	88.8	Confident	89.4	Confident	143 Å²	143	44.9 Å²	44.9	62%	0.622	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	6.2	178.9	-66.6	175	-175.2	172.4	0	112.9	S506 L507 L508 P512	S506-K510 WeakPolarHBondContact O-CB 3.31Å; S506-K510 WeakPolarHBondContact O-CG 3.43Å; S506-K510 PolarHBondContact O-N 2.87Å; L507-K510 CarbonylContact O-C 3.55Å; L507-K510 PolarHBondContact O-N 3.21Å; L508-K510 VanDerWaalsContact C-N 3.31Å; L508-K510 PolarHBondContact O-N 3.06Å; K510-P512 WeakPolarHBondContact O-CD 3.32Å
511	S	84.9	Confident	89.5	Confident	17 Å²	17	43.2 Å²	43.2	12%	0.119	23%	0.231	C	C	.	.			trans	-61	122.6	-174.1	-178.8	0	0	0	0	111.2	L507 L508 E513	L507-S511 PolarHBondContact O-N 2.94Å; L508-S511 PolarHBondContact O-N 3.44Å; S511-E513 VanDerWaalsContact C-N 3.29Å; S511-E513 PolarHBondContact O-N 2.78Å
512	P	80.8	Confident	89.6	Confident	122 Å²	122	42.7 Å²	42.7	79%	0.792	23%	0.227	S	C	*	.	S	Bend	trans	-71.9	-25.2	178.6	28.9	-34	0	0	0	112.4	K510	K510-P512 WeakPolarHBondContact O-CD 3.32Å
513	E	78.3	Confident	89.6	Confident	106 Å²	106	38.1 Å²	38.1	50%	0.495	21%	0.206	S	C	.	.	S	Bend	trans	-84.8	-16.6	-174.6	-57.8	-161.1	-179.9	0	0	113.6	S511 N515 K518	S511-E513 VanDerWaalsContact C-N 3.29Å; S511-E513 PolarHBondContact O-N 2.78Å; E513-N515 VanDerWaalsContact C-N 3.25Å; E513-N515 PolarHBondContact O-N 2.95Å; E513-N515 VanDerWaalsContact O-N 3.15Å; E513-K518 WeakPolarHBondContact OE2-CD 3.43Å; E513-K518 WeakPolarHBondContact OE2-CE 3.01Å; E513-K518 IonicContact OE2-NZ 3.65Å; E513-K518 PolarHBondContact OE2-NZ 2.97Å
514	Q	87.1	Confident	89.7	Confident	105 Å²	105	36.4 Å²	36.4	49%	0.491	19%	0.192	S	C	.	.			trans	44.4	46.7	178.2	-63	-168.8	7.6	0	0	113.9	S553 Y555	Q514-S553 PolarHBondContact OE1-OG 2.77Å; Q514-Y555 VanDerWaalsContact C-CE2 3.5Å; Q514-Y555 HydrophobicContact CB-CD1 4.06Å; Q514-Y555 HydrophobicContact CB-CD2 4.02Å; Q514-Y555 HydrophobicContact CB-CG 3.71Å; Q514-Y555 HydrophobicContact CG-CD1 3.99Å; Q514-Y555 HydrophobicContact CG-CE1 4.49Å; Q514-Y555 HydrophobicContact CG-CG 4.15Å; Q514-Y555 VanDerWaalsContact O-CD2 3.3Å; Q514-Y555 WeakPolarHBondContact O-CD2 3.43Å
515	N	89.1	Confident	89.8	Confident	31 Å²	31	36.4 Å²	36.4	17%	0.166	19%	0.192	C	C	.	.			trans	-134.5	117.5	178.9	-177.7	-63.6	0	0	0	110	E513 F517 K518 T519	E513-N515 VanDerWaalsContact C-N 3.25Å; E513-N515 PolarHBondContact O-N 2.95Å; E513-N515 VanDerWaalsContact O-N 3.15Å; N515-F517 WeakPolarHBondContact OD1-CB 3.05Å; N515-F517 PolarHBondContact OD1-N 3.47Å; N515-K518 HydrophobicContact CB-CB 4.35Å; N515-K518 HydrophobicContact CB-CD 4.23Å; N515-K518 HydrophobicContact CB-CG 4.17Å; N515-K518 PolarHBondContact O-N 3.31Å; N515-K518 PolarHBondContact OD1-N 2.89Å; N515-T519 PolarHBondContact O-N 2.87Å; N515-T519 PolarHBondContact O-OG1 3.36Å
516	L	89.9	Confident	89.8	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-35.3	-176.3	-72.1	-176.2	0	0	0	114.1	K518 T519 A520 L523 Y555 R558 I559 D765	L516-K518 VanDerWaalsContact C-N 3.31Å; L516-K518 PolarHBondContact O-N 2.8Å; L516-T519 CarbonylContact O-C 3.44Å; L516-T519 PolarHBondContact O-N 3.41Å; L516-T519 VanDerWaalsContact O-N 3.09Å; L516-T519 PolarHBondContact O-OG1 3.44Å; L516-A520 PolarHBondContact O-N 3.14Å; L516-L523 HydrophobicContact CB-CD1 3.9Å; L516-L523 HydrophobicContact CD2-CD1 3.94Å; L516-L523 HydrophobicContact CD2-CD2 4.08Å; L516-L523 HydrophobicContact CD2-CG 4.49Å; L516-L523 HydrophobicContact CG-CD1 4.38Å; L516-L523 WeakPolarHBondContact O-CD1 3.45Å; L516-Y555 HydrophobicContact CD2-CD2 4.23Å; L516-Y555 HydrophobicContact CD2-CE2 3.58Å; L516-Y555 HydrophobicContact CG-CD2 4.25Å; L516-Y555 HydrophobicContact CG-CE2 3.98Å; L516-R558 HydrophobicContact CD1-CB 3.33Å; L516-R558 HydrophobicContact CD1-CG 4.4Å; L516-R558 HydrophobicContact CG-CB 4.25Å; L516-I559 HydrophobicContact CD2-CD1 4.43Å; L516-I559 HydrophobicContact CD2-CG1 3.6Å; L516-D765 HydrophobicContact CB-CB 4.41Å; L516-D765 PolarHBondContact N-OD2 2.95Å; L516-D765 VanDerWaalsContact N-OD2 3.16Å
517	F	88.1	Confident	89.8	Confident	15 Å²	15	33.8 Å²	33.8	7%	0.066	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-41.8	179.2	171.8	-105.1	0	0	0	111.3	D61 H62 L155 N515 T519 A520 L736 D765 P767	D61-F517 HydrophobicContact CB-CE1 4.18Å; D61-F517 HydrophobicContact CB-CZ 4.03Å; H62-F517 PolarHBondContact CD2-O 2.88Å; H62-F517 PolarHBondContact NE2-O 3.11Å; H62-F517 VanDerWaalsContact NE2-O 3.1Å; L155-F517 HydrophobicContact CD1-CE1 4Å; N515-F517 WeakPolarHBondContact OD1-CB 3.05Å; N515-F517 PolarHBondContact OD1-N 3.47Å; F517-T519 PolarHBondContact O-N 3.21Å; F517-A520 WeakPolarHBondContact O-CB 3.44Å; F517-A520 PolarHBondContact O-N 3.22Å; F517-L736 HydrophobicContact CD2-CD2 4.11Å; F517-L736 HydrophobicContact CE2-CD2 3.63Å; F517-D765 HydrophobicContact CB-CB 4.41Å; F517-D765 WeakPolarHBondContact CB-O 3.37Å; F517-P767 HydrophobicContact CD1-CG 4.28Å; F517-P767 HydrophobicContact CE1-CG 3.99Å; F517-P767 HydrophobicContact CZ-CG 4.14Å
518	K	88.8	Confident	89.9	Confident	60 Å²	60	32.6 Å²	32.6	26%	0.261	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.2	175.8	-64.5	-170	-170	-167.1	0	113.2	H62 L155 N468 E513 N515 L516	H62-K518 PolarHBondContact CE1-O 3.46Å; H62-K518 PolarHBondContact NE2-O 3.49Å; L155-K518 HydrophobicContact CD2-CD 3.97Å; L155-K518 HydrophobicContact CD2-CG 3.81Å; N468-K518 PolarHBondContact ND2-O 2.94Å; E513-K518 WeakPolarHBondContact OE2-CD 3.43Å; E513-K518 WeakPolarHBondContact OE2-CE 3.01Å; E513-K518 IonicContact OE2-NZ 3.65Å; E513-K518 PolarHBondContact OE2-NZ 2.97Å; N515-K518 HydrophobicContact CB-CB 4.35Å; N515-K518 HydrophobicContact CB-CD 4.23Å; N515-K518 HydrophobicContact CB-CG 4.17Å; N515-K518 PolarHBondContact O-N 3.31Å; N515-K518 PolarHBondContact OD1-N 2.89Å; L516-K518 VanDerWaalsContact C-N 3.31Å; L516-K518 PolarHBondContact O-N 2.8Å
519	T	91.3	Very high	90	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	20.6	178	58.7	0	0	0	0	114.2	L508 N515 L516 F517 D521 L522 L523	L508-T519 HydrophobicContact CD2-CG2 4.25Å; L508-T519 VanDerWaalsContact CD2-OG1 3.3Å; L508-T519 WeakPolarHBondContact CD2-OG1 3.38Å; N515-T519 PolarHBondContact O-N 2.87Å; N515-T519 PolarHBondContact O-OG1 3.36Å; L516-T519 CarbonylContact O-C 3.44Å; L516-T519 PolarHBondContact O-N 3.41Å; L516-T519 VanDerWaalsContact O-N 3.09Å; L516-T519 PolarHBondContact O-OG1 3.44Å; F517-T519 PolarHBondContact O-N 3.21Å; T519-D521 VanDerWaalsContact C-N 3.29Å; T519-D521 PolarHBondContact O-N 2.87Å; T519-L522 HydrophobicContact CG2-CD1 4.43Å; T519-L522 WeakPolarHBondContact O-CB 3.17Å; T519-L522 PolarHBondContact O-N 2.63Å; T519-L523 PolarHBondContact O-N 2.72Å
520	A	90.9	Very high	90	Very high	12 Å²	12	32.8 Å²	32.8	10%	0.099	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-34.8	-174.8	0	0	0	0	0	114.6	L516 F517 L523 E524	L516-A520 PolarHBondContact O-N 3.14Å; F517-A520 WeakPolarHBondContact O-CB 3.44Å; F517-A520 PolarHBondContact O-N 3.22Å; A520-L523 PolarHBondContact O-N 3.24Å; A520-E524 PolarHBondContact O-N 2.92Å
521	D	93	Very high	90.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-37.9	175.3	63.6	-24.5	0	0	0	112.6	H62 L77 S466 N468 A470 Y471 T519 L525	H62-D521 IonicContact CE1-OD1 3.13Å; H62-D521 PolarHBondContact CE1-OD1 2.88Å; L77-D521 HydrophobicContact CD2-CB 3.99Å; S466-D521 VanDerWaalsContact CB-OD2 3.3Å; S466-D521 WeakPolarHBondContact CB-OD2 3.4Å; S466-D521 PolarHBondContact OG-OD2 3.48Å; N468-D521 WeakPolarHBondContact CB-OD1 3.44Å; N468-D521 WeakPolarHBondContact CB-OD2 3.38Å; N468-D521 PolarHBondContact N-OD2 3.41Å; N468-D521 PolarHBondContact ND2-OD1 3.02Å; A470-D521 HydrophobicContact CB-CB 3.8Å; Y471-D521 HydrophobicContact CD2-CB 4.24Å; Y471-D521 HydrophobicContact CE2-CB 4.39Å; Y471-D521 WeakPolarHBondContact CE2-O 3.38Å; T519-D521 VanDerWaalsContact C-N 3.29Å; T519-D521 PolarHBondContact O-N 2.87Å; D521-L525 PolarHBondContact O-N 2.83Å
522	L	93.6	Very high	90.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-71.1	-38.9	172	-59.9	175.6	0	0	0	111.6	N468 A470 K499 A504 L507 L508 T519 E524 L525 V526	N468-L522 HydrophobicContact CB-CD1 3.86Å; N468-L522 HydrophobicContact CB-CD2 4.18Å; N468-L522 HydrophobicContact CB-CG 3.8Å; A470-L522 HydrophobicContact CB-CD2 3.96Å; K499-L522 HydrophobicContact CD-CD2 3.92Å; A504-L522 HydrophobicContact CB-CB 4.26Å; A504-L522 HydrophobicContact CB-CD2 3.94Å; L507-L522 HydrophobicContact CB-CD1 3.98Å; L507-L522 HydrophobicContact CD1-CD2 4.48Å; L508-L522 HydrophobicContact CD1-CB 4.15Å; L508-L522 HydrophobicContact CD2-CB 3.93Å; L508-L522 HydrophobicContact CD2-CD1 4.39Å; L508-L522 HydrophobicContact CG-CB 3.88Å; L508-L522 HydrophobicContact CG-CD1 4.37Å; T519-L522 HydrophobicContact CG2-CD1 4.43Å; T519-L522 WeakPolarHBondContact O-CB 3.17Å; T519-L522 PolarHBondContact O-N 2.63Å; L522-E524 VanDerWaalsContact C-N 3.28Å; L522-E524 PolarHBondContact O-N 2.88Å; L522-L525 WeakPolarHBondContact O-CB 3.34Å; L522-L525 PolarHBondContact O-N 3.23Å; L522-V526 PolarHBondContact O-N 3.25Å
523	L	93	Very high	90.9	Very high	9 Å²	9	29.2 Å²	29.2	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-38.2	176.4	-72.4	173.1	0	0	0	111.8	L508 L516 T519 A520 L525 V526 R527 F562	L508-L523 HydrophobicContact CD1-CD2 3.82Å; L508-L523 HydrophobicContact CD1-CG 4.41Å; L508-L523 HydrophobicContact CD2-CD2 3.92Å; L508-L523 HydrophobicContact CD2-CG 4.02Å; L516-L523 HydrophobicContact CB-CD1 3.9Å; L516-L523 HydrophobicContact CD2-CD1 3.94Å; L516-L523 HydrophobicContact CD2-CD2 4.08Å; L516-L523 HydrophobicContact CD2-CG 4.49Å; L516-L523 HydrophobicContact CG-CD1 4.38Å; L516-L523 WeakPolarHBondContact O-CD1 3.45Å; T519-L523 PolarHBondContact O-N 2.72Å; A520-L523 PolarHBondContact O-N 3.24Å; L523-L525 VanDerWaalsContact C-N 3.32Å; L523-L525 PolarHBondContact O-N 3.18Å; L523-V526 PolarHBondContact O-N 3.04Å; L523-R527 VanDerWaalsContact O-CB 3.29Å; L523-R527 WeakPolarHBondContact O-CB 3.46Å; L523-R527 PolarHBondContact O-N 3.41Å; L523-F562 HydrophobicContact CB-CE1 4.33Å; L523-F562 HydrophobicContact CB-CE2 4.19Å; L523-F562 HydrophobicContact CB-CZ 3.8Å; L523-F562 HydrophobicContact CD1-CE2 4.48Å; L523-F562 HydrophobicContact CD2-CD1 4.03Å; L523-F562 HydrophobicContact CD2-CE1 3.89Å; L523-F562 HydrophobicContact CD2-CE2 4.44Å; L523-F562 HydrophobicContact CD2-CG 4.39Å; L523-F562 HydrophobicContact CD2-CZ 4.09Å; L523-F562 HydrophobicContact CG-CZ 4.43Å
524	E	93.6	Very high	91.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-34.8	177.3	-175.5	55.3	-153.7	0	0	112.4	C79 L88 A520 L522 R527 W528	C79-E524 WeakPolarHBondContact CA-OE2 3.48Å; C79-E524 PolarHBondContact SG-OE2 2.95Å; L88-E524 HydrophobicContact CD2-CG 3.69Å; A520-E524 PolarHBondContact O-N 2.92Å; L522-E524 VanDerWaalsContact C-N 3.28Å; L522-E524 PolarHBondContact O-N 2.88Å; E524-R527 WeakPolarHBondContact OE2-CD 3.29Å; E524-R527 IonicContact OE2-NE 3.78Å; E524-W528 VanDerWaalsContact O-CB 3.29Å; E524-W528 WeakPolarHBondContact O-CB 3.44Å; E524-W528 PolarHBondContact O-N 3.36Å
525	L	93.5	Very high	91.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-45.5	173.1	-73.1	174.4	0	0	0	112.1	A470 Y471 M497 K499 A504 D521 L522 L523 W528 Q529	A470-L525 HydrophobicContact CB-CD1 3.68Å; A470-L525 HydrophobicContact CB-CG 4.35Å; Y471-L525 HydrophobicContact CE1-CD2 3.58Å; Y471-L525 HydrophobicContact CE1-CG 4.25Å; Y471-L525 HydrophobicContact CE2-CD2 4.48Å; Y471-L525 HydrophobicContact CE2-CG 4.3Å; Y471-L525 WeakPolarHBondContact OH-CD2 3.43Å; Y471-L525 WeakPolarHBondContact OH-CG 3.41Å; M497-L525 HydrophobicContact CE-CD2 3.26Å; M497-L525 HydrophobicContact CG-CD2 3.7Å; M497-L525 HydrophobicContact SD-CD2 3.72Å; K499-L525 HydrophobicContact CB-CD1 4.05Å; A504-L525 HydrophobicContact CB-CB 3.98Å; A504-L525 HydrophobicContact CB-CD1 3.79Å; D521-L525 PolarHBondContact O-N 2.83Å; L522-L525 WeakPolarHBondContact O-CB 3.34Å; L522-L525 PolarHBondContact O-N 3.23Å; L523-L525 VanDerWaalsContact C-N 3.32Å; L523-L525 PolarHBondContact O-N 3.18Å; L525-W528 PolarHBondContact O-N 3.45Å; L525-Q529 PolarHBondContact O-N 2.8Å
526	V	93.9	Very high	91.7	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-44	178.3	177.3	0	0	0	0	110.4	A504 A505 L508 L522 L523 W528 Q529 V530 L540 L563	A504-V526 HydrophobicContact CB-CG2 4.35Å; A505-V526 HydrophobicContact CB-CG2 4.14Å; L508-V526 HydrophobicContact CD1-CG2 3.73Å; L522-V526 PolarHBondContact O-N 3.25Å; L523-V526 PolarHBondContact O-N 3.04Å; V526-W528 VanDerWaalsContact C-N 3.34Å; V526-W528 PolarHBondContact O-N 3Å; V526-Q529 PolarHBondContact O-N 2.81Å; V526-V530 HydrophobicContact CG1-CG2 4.44Å; V526-V530 WeakPolarHBondContact O-CG2 3.36Å; V526-V530 PolarHBondContact O-N 2.92Å; V526-L540 HydrophobicContact CG1-CD2 3.82Å; V526-L563 HydrophobicContact CG1-CD2 3.64Å
527	R	93.6	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.2	-49	174	173.2	-179.3	146.8	73	6.1	111	C79 D80 S83 R85 L523 E524 Q529 V530 L531 F562 V566	C79-R527 VanDerWaalsContact SG-CD 3.59Å; D80-R527 PolarHBondContact O-NE 2.96Å; D80-R527 PolarHBondContact O-NH1 3.38Å; D80-R527 PolarHBondContact O-NH2 3.41Å; S83-R527 VanDerWaalsContact O-CZ 3.3Å; S83-R527 PolarHBondContact O-NH1 3.35Å; S83-R527 PolarHBondContact O-NH2 2.97Å; R85-R527 PolarHBondContact O-NH2 2.94Å; R85-R527 VanDerWaalsContact O-NH2 3.14Å; L523-R527 VanDerWaalsContact O-CB 3.29Å; L523-R527 WeakPolarHBondContact O-CB 3.46Å; L523-R527 PolarHBondContact O-N 3.41Å; E524-R527 WeakPolarHBondContact OE2-CD 3.29Å; E524-R527 IonicContact OE2-NE 3.78Å; R527-Q529 VanDerWaalsContact C-N 3.3Å; R527-Q529 PolarHBondContact O-N 2.86Å; R527-V530 PolarHBondContact O-N 3.49Å; R527-L531 HydrophobicContact CG-CD1 4.11Å; R527-L531 HydrophobicContact CG-CG 4.3Å; R527-L531 VanDerWaalsContact O-CG 3.31Å; R527-L531 WeakPolarHBondContact O-CG 3.33Å; R527-L531 PolarHBondContact O-N 2.95Å; R527-F562 HydrophobicContact CB-CE1 4.39Å; R527-F562 HydrophobicContact CB-CZ 3.92Å; R527-V566 HydrophobicContact CB-CG2 4.26Å; R527-V566 HydrophobicContact CG-CG1 3.92Å; R527-V566 HydrophobicContact CG-CG2 3.96Å
528	W	92.6	Very high	91.9	Very high	30 Å²	30	36.8 Å²	36.8	11%	0.114	18%	0.182	C	C	.	.	H	α-helix	trans	-56.7	-44.1	177.5	171.2	63.5	0	0	0	112	R40 M497 P501 E524 L525 V526 L531 K532	R40-W528 VanDerWaalsContact CZ-CD1 3.46Å; R40-W528 VanDerWaalsContact NH2-CD1 3.35Å; M497-W528 HydrophobicContact CE-CD2 4.32Å; M497-W528 HydrophobicContact CE-CE3 3.53Å; M497-W528 HydrophobicContact CE-CH2 3.85Å; M497-W528 HydrophobicContact CE-CZ3 3.25Å; M497-W528 HydrophobicContact SD-CZ3 4.04Å; P501-W528 HydrophobicContact CG-CE3 4.03Å; P501-W528 HydrophobicContact CG-CZ3 3.91Å; E524-W528 VanDerWaalsContact O-CB 3.29Å; E524-W528 WeakPolarHBondContact O-CB 3.44Å; E524-W528 PolarHBondContact O-N 3.36Å; L525-W528 PolarHBondContact O-N 3.45Å; V526-W528 VanDerWaalsContact C-N 3.34Å; V526-W528 PolarHBondContact O-N 3Å; W528-L531 PolarHBondContact O-N 3.09Å; W528-K532 HydrophobicContact CZ2-CD 4.09Å; W528-K532 VanDerWaalsContact O-CB 3.29Å; W528-K532 WeakPolarHBondContact O-CB 3.41Å; W528-K532 PolarHBondContact O-N 2.89Å
529	Q	92.8	Very high	92	Very high	27 Å²	27	37.9 Å²	37.9	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-49.4	176	-176.3	176.4	28.4	0	0	111.6	P501 E502 L525 V526 R527 L531 K532 T533 P537	P501-Q529 HydrophobicContact CB-CB 3.74Å; P501-Q529 VanDerWaalsContact CB-CD 3.46Å; P501-Q529 HydrophobicContact CB-CG 4.11Å; P501-Q529 HydrophobicContact CG-CB 4Å; P501-Q529 HydrophobicContact CG-CG 4.45Å; E502-Q529 PolarHBondContact OE1-NE2 3.03Å; L525-Q529 PolarHBondContact O-N 2.8Å; V526-Q529 PolarHBondContact O-N 2.81Å; R527-Q529 VanDerWaalsContact C-N 3.3Å; R527-Q529 PolarHBondContact O-N 2.86Å; Q529-L531 VanDerWaalsContact C-N 3.33Å; Q529-L531 PolarHBondContact O-N 3.35Å; Q529-K532 PolarHBondContact O-N 3.34Å; Q529-K532 VanDerWaalsContact O-N 3.11Å; Q529-T533 HydrophobicContact CG-CG2 4.28Å; Q529-T533 WeakPolarHBondContact O-CG2 2.96Å; Q529-T533 PolarHBondContact O-N 2.81Å; Q529-T533 PolarHBondContact O-OG1 3.28Å; Q529-P537 HydrophobicContact CG-CG 4.45Å
530	V	93	Very high	92.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-40.8	179.6	176.2	0	0	0	0	111.4	V526 R527 K532 K534 V536 L563 V566	V526-V530 HydrophobicContact CG1-CG2 4.44Å; V526-V530 WeakPolarHBondContact O-CG2 3.36Å; V526-V530 PolarHBondContact O-N 2.92Å; R527-V530 PolarHBondContact O-N 3.49Å; V530-K532 VanDerWaalsContact C-N 3.32Å; V530-K532 PolarHBondContact O-N 3.44Å; V530-K534 WeakPolarHBondContact O-CA 3.37Å; V530-K534 PolarHBondContact O-N 3.21Å; V530-V536 HydrophobicContact CG1-CG2 4.46Å; V530-V536 HydrophobicContact CG2-CG2 4.43Å; V530-L563 HydrophobicContact CG2-CD2 4.28Å; V530-V566 HydrophobicContact CB-CG1 3.93Å; V530-V566 HydrophobicContact CG1-CB 4.24Å; V530-V566 HydrophobicContact CG1-CG1 3.72Å
531	L	91.4	Very high	92.2	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-38	175.1	-69.6	178.4	0	0	0	112.5	R85 Q86 R527 W528 Q529 V566 T570	R85-L531 WeakPolarHBondContact O-CD1 3.46Å; Q86-L531 HydrophobicContact CG-CB 4.1Å; Q86-L531 HydrophobicContact CG-CD1 4.5Å; R527-L531 HydrophobicContact CG-CD1 4.11Å; R527-L531 HydrophobicContact CG-CG 4.3Å; R527-L531 VanDerWaalsContact O-CG 3.31Å; R527-L531 WeakPolarHBondContact O-CG 3.33Å; R527-L531 PolarHBondContact O-N 2.95Å; W528-L531 PolarHBondContact O-N 3.09Å; Q529-L531 VanDerWaalsContact C-N 3.33Å; Q529-L531 PolarHBondContact O-N 3.35Å; L531-V566 HydrophobicContact CD2-CG1 3.9Å; L531-V566 HydrophobicContact CG-CG1 4.04Å; L531-T570 HydrophobicContact CD2-CG2 3.6Å
532	K	90.3	Very high	92.2	Very high	127 Å²	127	46.8 Å²	46.8	55%	0.552	24%	0.236	S	C	*	.	H	α-helix	trans	-71.8	-43	-179.5	-172.6	-177.8	179.4	-175.8	0	111.9	W528 Q529 V530	W528-K532 HydrophobicContact CZ2-CD 4.09Å; W528-K532 VanDerWaalsContact O-CB 3.29Å; W528-K532 WeakPolarHBondContact O-CB 3.41Å; W528-K532 PolarHBondContact O-N 2.89Å; Q529-K532 PolarHBondContact O-N 3.34Å; Q529-K532 VanDerWaalsContact O-N 3.11Å; V530-K532 VanDerWaalsContact C-N 3.32Å; V530-K532 PolarHBondContact O-N 3.44Å
533	T	90.9	Very high	92.2	Very high	71 Å²	71	49.1 Å²	49.1	44%	0.436	25%	0.247	S	C	.	.	H	α-helix	trans	-89.4	-14.9	-178	60.2	0	0	0	0	113.4	Q529 R535	Q529-T533 HydrophobicContact CG-CG2 4.28Å; Q529-T533 WeakPolarHBondContact O-CG2 2.96Å; Q529-T533 PolarHBondContact O-N 2.81Å; Q529-T533 PolarHBondContact O-OG1 3.28Å; T533-R535 PolarHBondContact O-N 2.78Å; T533-R535 PolarHBondContact OG1-N 3.24Å; T533-R535 PolarHBondContact OG1-O 3.43Å
534	K	90.1	Very high	92.2	Very high	138 Å²	138	48.7 Å²	48.7	60%	0.6	25%	0.245	S	C	*	.	S	Bend	trans	55.7	23.9	-170.8	-54.4	-177.6	178.9	-178.3	0	113.7	V530 L567	V530-K534 WeakPolarHBondContact O-CA 3.37Å; V530-K534 PolarHBondContact O-N 3.21Å; K534-L567 WeakPolarHBondContact O-CD1 3.39Å
535	R	90.6	Very high	92.2	Very high	166 Å²	166	50.8 Å²	50.8	63%	0.626	26%	0.256	S	S	*	.	S	Bend	trans	-149.1	145.5	-178.1	-63.3	-174.1	-175	177.2	2.1	110	T533	T533-R535 PolarHBondContact O-N 2.78Å; T533-R535 PolarHBondContact OG1-N 3.24Å; T533-R535 PolarHBondContact OG1-O 3.43Å
536	V	91.5	Very high	92.3	Very high	26 Å²	26	56.1 Å²	56.1	16%	0.158	28%	0.276	C	S	.	.			trans	-72.5	131.3	168	-178.9	0	0	0	0	108.4	V530 A538 Q541 L563 L567	V530-V536 HydrophobicContact CG1-CG2 4.46Å; V530-V536 HydrophobicContact CG2-CG2 4.43Å; V536-A538 PolarHBondContact O-N 2.9Å; V536-Q541 HydrophobicContact CG1-CB 4.26Å; V536-L563 HydrophobicContact CG1-CD1 4.05Å; V536-L563 HydrophobicContact CG1-CD2 4.43Å; V536-L563 HydrophobicContact CG2-CB 4.13Å; V536-L567 HydrophobicContact CG2-CB 4.38Å; V536-L567 HydrophobicContact CG2-CD2 4.24Å
537	P	92.1	Very high	92.2	Very high	27 Å²	27	58.1 Å²	58.1	18%	0.175	29%	0.285	C	S	.	.			trans	-55.9	128.6	175.4	-24.9	33.8	0	0	0	111.3	Q529 S539 L540 Q541	Q529-P537 HydrophobicContact CG-CG 4.45Å; P537-S539 VanDerWaalsContact C-N 3.3Å; P537-S539 PolarHBondContact O-N 2.82Å; P537-L540 HydrophobicContact CB-CB 4.15Å; P537-L540 WeakPolarHBondContact O-CB 3.34Å; P537-L540 PolarHBondContact O-N 2.91Å; P537-Q541 PolarHBondContact O-N 2.59Å
538	A	90.3	Very high	92.1	Very high	64 Å²	64	59 Å²	59	53%	0.529	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-41.3	-175.5	0	0	0	0	0	112.4	V536 L540 Q541 E542	V536-A538 PolarHBondContact O-N 2.9Å; A538-L540 VanDerWaalsContact C-N 3.29Å; A538-L540 PolarHBondContact O-N 3.36Å; A538-Q541 PolarHBondContact O-N 3.08Å; A538-Q541 VanDerWaalsContact O-N 3.15Å; A538-E542 WeakPolarHBondContact O-CB 3.2Å; A538-E542 WeakPolarHBondContact O-CG 3.27Å; A538-E542 PolarHBondContact O-N 2.87Å
539	S	90.8	Very high	92.1	Very high	83 Å²	83	65.4 Å²	65.4	58%	0.58	32%	0.32	S	S	*	.	H	α-helix	trans	-60.5	-36.2	176.4	54.3	0	0	0	0	113.3	P537 E543	P537-S539 VanDerWaalsContact C-N 3.3Å; P537-S539 PolarHBondContact O-N 2.82Å; S539-E543 WeakPolarHBondContact O-CB 3.38Å; S539-E543 PolarHBondContact O-N 3.28Å
540	L	92.8	Very high	92	Very high	10 Å²	10	70.4 Å²	70.4	5%	0.052	34%	0.344	C	S	.	.	H	α-helix	trans	-71	-43	175.1	174.4	54.9	0	0	0	111	A505 L509 V526 P537 A538 L544 L563	A505-L540 HydrophobicContact CB-CD1 3.9Å; A505-L540 HydrophobicContact CB-CD2 3.98Å; A505-L540 HydrophobicContact CB-CG 4.38Å; L509-L540 HydrophobicContact CD1-CD1 3.63Å; L509-L540 HydrophobicContact CD2-CD1 4.39Å; L509-L540 HydrophobicContact CG-CD1 4.11Å; V526-L540 HydrophobicContact CG1-CD2 3.82Å; P537-L540 HydrophobicContact CB-CB 4.15Å; P537-L540 WeakPolarHBondContact O-CB 3.34Å; P537-L540 PolarHBondContact O-N 2.91Å; A538-L540 VanDerWaalsContact C-N 3.29Å; A538-L540 PolarHBondContact O-N 3.36Å; L540-L544 WeakPolarHBondContact O-CB 3.28Å; L540-L544 PolarHBondContact O-N 2.78Å; L540-L563 HydrophobicContact CD2-CD1 4.02Å; L540-L563 HydrophobicContact CD2-CD2 4.15Å; L540-L563 HydrophobicContact CG-CD1 4.19Å
541	Q	92.8	Very high	91.7	Very high	55 Å²	55	74.7 Å²	74.7	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-63.2	-49.9	179.5	-172.7	62.7	41.5	0	0	111.6	V536 P537 A538 E543 L544 D545	V536-Q541 HydrophobicContact CG1-CB 4.26Å; P537-Q541 PolarHBondContact O-N 2.59Å; A538-Q541 PolarHBondContact O-N 3.08Å; A538-Q541 VanDerWaalsContact O-N 3.15Å; Q541-E543 PolarHBondContact O-N 2.8Å; Q541-L544 PolarHBondContact O-N 2.84Å; Q541-D545 PolarHBondContact NE2-OD2 3.14Å; Q541-D545 WeakPolarHBondContact O-CB 3.22Å; Q541-D545 PolarHBondContact O-N 2.85Å
542	E	93.1	Very high	91.5	Very high	137 Å²	137	79.1 Å²	79.1	64%	0.64	39%	0.394	S	S	*	.	H	α-helix	trans	-61.9	-44.5	179.6	-71.6	171	-169.3	0	0	112.2	A538 D545 R546	A538-E542 WeakPolarHBondContact O-CB 3.2Å; A538-E542 WeakPolarHBondContact O-CG 3.27Å; A538-E542 PolarHBondContact O-N 2.87Å; E542-D545 PolarHBondContact O-N 2.96Å; E542-R546 WeakPolarHBondContact O-CB 3Å; E542-R546 PolarHBondContact O-N 3.19Å
543	E	93.6	Very high	91.5	Very high	50 Å²	50	73.6 Å²	73.6	23%	0.234	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-40.9	177.6	-178.4	68	-156.2	0	0	111.7	L509 S539 Q541 R546 K547	L509-E543 HydrophobicContact CD1-CB 4.06Å; L509-E543 HydrophobicContact CD1-CG 3.51Å; S539-E543 WeakPolarHBondContact O-CB 3.38Å; S539-E543 PolarHBondContact O-N 3.28Å; Q541-E543 PolarHBondContact O-N 2.8Å; E543-R546 IonicContact OE1-CZ 2.78Å; E543-R546 IonicContact OE1-NH2 3.78Å; E543-R546 PolarHBondContact OE1-NH2 2.81Å; E543-R546 IonicContact OE2-CZ 2.93Å; E543-R546 IonicContact OE2-NH1 3.41Å; E543-R546 PolarHBondContact OE2-NH1 3.13Å; E543-R546 IonicContact OE2-NH2 3.54Å; E543-R546 PolarHBondContact OE2-NH2 2.94Å; E543-K547 WeakPolarHBondContact O-CB 3.23Å; E543-K547 WeakPolarHBondContact O-CG 3.35Å; E543-K547 PolarHBondContact O-N 3.49Å; E543-K547 WeakPolarHBondContact OE1-CE 3.3Å
544	L	93.8	Very high	91.5	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.9	-46.2	177.5	178.6	60.2	0	0	0	111.4	L509 L540 Q541 K547 L548 L556 I559 K560 L563	L509-L544 HydrophobicContact CD2-CB 4.26Å; L509-L544 HydrophobicContact CD2-CD1 3.83Å; L540-L544 WeakPolarHBondContact O-CB 3.28Å; L540-L544 PolarHBondContact O-N 2.78Å; Q541-L544 PolarHBondContact O-N 2.84Å; L544-K547 PolarHBondContact O-N 3.44Å; L544-L548 HydrophobicContact CD1-CD1 4.3Å; L544-L548 HydrophobicContact CD1-CG 4.49Å; L544-L548 HydrophobicContact CG-CD1 4.17Å; L544-L548 WeakPolarHBondContact O-CB 3.47Å; L544-L548 WeakPolarHBondContact O-CG 3.35Å; L544-L548 PolarHBondContact O-N 3.19Å; L544-L556 HydrophobicContact CD1-CB 3.97Å; L544-L556 HydrophobicContact CD1-CD2 3.95Å; L544-L556 HydrophobicContact CD1-CG 4.49Å; L544-I559 HydrophobicContact CD1-CB 4.37Å; L544-I559 HydrophobicContact CD1-CG2 4.33Å; L544-I559 HydrophobicContact CD2-CB 4.48Å; L544-I559 HydrophobicContact CD2-CG2 3.94Å; L544-K560 HydrophobicContact CD2-CB 3.91Å; L544-K560 HydrophobicContact CD2-CG 4.42Å; L544-L563 HydrophobicContact CD2-CD1 3.93Å
545	D	93.3	Very high	91.6	Very high	44 Å²	44	65.2 Å²	65.2	24%	0.235	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-39.2	178.9	-72.4	-34.7	0	0	0	111.4	Q541 E542 L548 Q549 K560	Q541-D545 PolarHBondContact NE2-OD2 3.14Å; Q541-D545 WeakPolarHBondContact O-CB 3.22Å; Q541-D545 PolarHBondContact O-N 2.85Å; E542-D545 PolarHBondContact O-N 2.96Å; D545-L548 PolarHBondContact O-N 2.79Å; D545-Q549 WeakPolarHBondContact O-CG 3.49Å; D545-Q549 PolarHBondContact O-N 2.81Å; D545-K560 IonicContact OD1-NZ 3.27Å; D545-K560 PolarHBondContact OD1-NZ 2.86Å
546	R	94.3	Very high	91.8	Very high	112 Å²	112	58 Å²	58	42%	0.423	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-46.8	173.6	-167.8	-178.7	76.7	-125.7	0.3	111.8	E542 E543 L548 Q549 E550	E542-R546 WeakPolarHBondContact O-CB 3Å; E542-R546 PolarHBondContact O-N 3.19Å; E543-R546 IonicContact OE1-CZ 2.78Å; E543-R546 IonicContact OE1-NH2 3.78Å; E543-R546 PolarHBondContact OE1-NH2 2.81Å; E543-R546 IonicContact OE2-CZ 2.93Å; E543-R546 IonicContact OE2-NH1 3.41Å; E543-R546 PolarHBondContact OE2-NH1 3.13Å; E543-R546 IonicContact OE2-NH2 3.54Å; E543-R546 PolarHBondContact OE2-NH2 2.94Å; R546-L548 VanDerWaalsContact C-N 3.32Å; R546-L548 PolarHBondContact O-N 3.18Å; R546-Q549 WeakPolarHBondContact O-CB 3.17Å; R546-Q549 PolarHBondContact O-N 3.33Å; R546-Q549 VanDerWaalsContact O-N 3.17Å; R546-E550 IonicContact NE-OE1 3.9Å; R546-E550 WeakPolarHBondContact O-CG 3.45Å; R546-E550 PolarHBondContact O-N 2.8Å
547	K	92.9	Very high	91.9	Very high	44 Å²	44	58.4 Å²	58.4	19%	0.191	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-34.2	178.1	-76.1	-168.4	175.9	-149.3	0	113.2	L509 E543 L544 Q549 E550 V551 L556	L509-K547 PolarHBondContact O-NZ 2.82Å; E543-K547 WeakPolarHBondContact O-CB 3.23Å; E543-K547 WeakPolarHBondContact O-CG 3.35Å; E543-K547 PolarHBondContact O-N 3.49Å; E543-K547 WeakPolarHBondContact OE1-CE 3.3Å; L544-K547 PolarHBondContact O-N 3.44Å; K547-Q549 VanDerWaalsContact C-N 3.31Å; K547-E550 PolarHBondContact O-N 3.04Å; K547-V551 PolarHBondContact O-N 2.75Å; K547-L556 HydrophobicContact CB-CD1 3.71Å
548	L	92	Very high	92	Very high	18 Å²	18	58.9 Å²	58.9	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-34.3	173.8	-80.5	169	0	0	0	112.2	L544 D545 R546 V551 L556 W557 K560	L544-L548 HydrophobicContact CD1-CD1 4.3Å; L544-L548 HydrophobicContact CD1-CG 4.49Å; L544-L548 HydrophobicContact CG-CD1 4.17Å; L544-L548 WeakPolarHBondContact O-CB 3.47Å; L544-L548 WeakPolarHBondContact O-CG 3.35Å; L544-L548 PolarHBondContact O-N 3.19Å; D545-L548 PolarHBondContact O-N 2.79Å; R546-L548 VanDerWaalsContact C-N 3.32Å; R546-L548 PolarHBondContact O-N 3.18Å; L548-V551 CarbonylContact O-C 3.56Å; L548-L556 HydrophobicContact CD2-CB 3.41Å; L548-L556 VanDerWaalsContact CD2-CB 3.41Å; L548-L556 HydrophobicContact CD2-CD1 4.22Å; L548-L556 HydrophobicContact CD2-CG 4.47Å; L548-L556 HydrophobicContact CG-CB 3.83Å; L548-L556 HydrophobicContact CG-CD1 4.29Å; L548-W557 HydrophobicContact CD2-CD2 4.14Å; L548-W557 HydrophobicContact CD2-CG 3.98Å; L548-K560 HydrophobicContact CD1-CB 4.5Å; L548-K560 HydrophobicContact CD1-CD 3.7Å
549	Q	91.3	Very high	92.2	Very high	165 Å²	165	56 Å²	56	77%	0.771	28%	0.278	S	S	*	.	H	α-helix	trans	-69.9	-35.7	173.1	-69.6	171.7	3.2	0	0	112.3	D545 R546 K547	D545-Q549 WeakPolarHBondContact O-CG 3.49Å; D545-Q549 PolarHBondContact O-N 2.81Å; R546-Q549 WeakPolarHBondContact O-CB 3.17Å; R546-Q549 PolarHBondContact O-N 3.33Å; R546-Q549 VanDerWaalsContact O-N 3.17Å; K547-Q549 VanDerWaalsContact C-N 3.31Å
550	E	91.1	Very high	92.3	Very high	132 Å²	132	53.9 Å²	53.9	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-73.3	-43.6	176.5	-69.8	171.6	-165	0	0	112.3	R546 K547	R546-E550 IonicContact NE-OE1 3.9Å; R546-E550 WeakPolarHBondContact O-CG 3.45Å; R546-E550 PolarHBondContact O-N 2.8Å; K547-E550 PolarHBondContact O-N 3.04Å
551	V	87.1	Confident	92.4	Very high	90 Å²	90	53.5 Å²	53.5	55%	0.545	26%	0.256	S	S	.	.			trans	-141.1	111.8	-175.2	-175.8	0	0	0	0	109.6	K547 L548 S553	K547-V551 PolarHBondContact O-N 2.75Å; L548-V551 CarbonylContact O-C 3.56Å; V551-S553 PolarHBondContact O-N 3.4Å
552	D	86.8	Confident	92.4	Very high	103 Å²	103	51.5 Å²	51.5	55%	0.551	25%	0.246	S	C	*	.			trans	-72.8	75.2	173.2	-168.5	16.5	0	0	0	110.9	W557 H631	D552-W557 PolarHBondContact OD1-NE1 2.94Å; D552-H631 IonicContact OD1-CE1 3.83Å; D552-H631 PolarHBondContact OD1-CE1 2.86Å; D552-H631 VanDerWaalsContact OD1-CE1 3.27Å; D552-H631 IonicContact OD1-NE2 3.63Å; D552-H631 PolarHBondContact OD1-NE2 2.93Å; D552-H631 IonicContact OD2-CE1 3.23Å; D552-H631 IonicContact OD2-NE2 2.97Å; D552-H631 PolarHBondContact OD2-NE2 2.78Å
553	S	90.1	Very high	92.4	Very high	11 Å²	11	45.1 Å²	45.1	8%	0.077	22%	0.216	C	C	.	.			trans	-97.2	128.6	-178.1	175.6	0	0	0	0	111.6	Q514 V551 Y555 L556 W557	Q514-S553 PolarHBondContact OE1-OG 2.77Å; V551-S553 PolarHBondContact O-N 3.4Å; S553-Y555 PolarHBondContact O-N 3.34Å; S553-Y555 VanDerWaalsContact O-N 3.11Å; S553-Y555 PolarHBondContact OG-N 3.47Å; S553-L556 PolarHBondContact O-N 2.83Å; S553-L556 VanDerWaalsContact O-N 3.08Å; S553-W557 PolarHBondContact O-N 2.8Å
554	P	91.4	Very high	92.4	Very high	28 Å²	28	43.2 Å²	43.2	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-53.8	-33	172.9	-27.2	34.5	0	0	0	113.2	L556 W557 R558 L632 D635	P554-L556 PolarHBondContact O-N 3.03Å; P554-W557 PolarHBondContact O-N 3.34Å; P554-R558 VanDerWaalsContact O-CG 3.3Å; P554-R558 WeakPolarHBondContact O-CG 3.47Å; P554-R558 PolarHBondContact O-N 2.88Å; P554-L632 HydrophobicContact CB-CD2 4.06Å; P554-L632 WeakPolarHBondContact O-CD2 3.45Å; P554-D635 WeakPolarHBondContact CG-OD2 3.49Å
555	Y	93	Very high	92.2	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-43.9	178.7	171.4	-105.9	0	0	0	112.3	L508 Q514 L516 S553 R558 I559	L508-Y555 WeakPolarHBondContact O-CE1 3.39Å; L508-Y555 PolarHBondContact O-OH 2.85Å; Q514-Y555 VanDerWaalsContact C-CE2 3.5Å; Q514-Y555 HydrophobicContact CB-CD1 4.06Å; Q514-Y555 HydrophobicContact CB-CD2 4.02Å; Q514-Y555 HydrophobicContact CB-CG 3.71Å; Q514-Y555 HydrophobicContact CG-CD1 3.99Å; Q514-Y555 HydrophobicContact CG-CE1 4.49Å; Q514-Y555 HydrophobicContact CG-CG 4.15Å; Q514-Y555 VanDerWaalsContact O-CD2 3.3Å; Q514-Y555 WeakPolarHBondContact O-CD2 3.43Å; L516-Y555 HydrophobicContact CD2-CD2 4.23Å; L516-Y555 HydrophobicContact CD2-CE2 3.58Å; L516-Y555 HydrophobicContact CG-CD2 4.25Å; L516-Y555 HydrophobicContact CG-CE2 3.98Å; S553-Y555 PolarHBondContact O-N 3.34Å; S553-Y555 VanDerWaalsContact O-N 3.11Å; S553-Y555 PolarHBondContact OG-N 3.47Å; Y555-R558 PolarHBondContact O-N 2.99Å; Y555-I559 HydrophobicContact CD1-CD1 4.18Å; Y555-I559 HydrophobicContact CE1-CD1 3.56Å; Y555-I559 HydrophobicContact CE1-CG1 4.47Å; Y555-I559 HydrophobicContact CE2-CD1 4.43Å; Y555-I559 PolarHBondContact O-N 2.75Å; Y555-I559 VanDerWaalsContact O-N 3.1Å
556	L	93.8	Very high	92.1	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-38	178.6	-64.2	178.7	0	0	0	111.3	L509 L544 K547 L548 S553 P554 R558 I559 K560	L509-L556 HydrophobicContact CD2-CD2 4.25Å; L544-L556 HydrophobicContact CD1-CB 3.97Å; L544-L556 HydrophobicContact CD1-CD2 3.95Å; L544-L556 HydrophobicContact CD1-CG 4.49Å; K547-L556 HydrophobicContact CB-CD1 3.71Å; L548-L556 HydrophobicContact CD2-CB 3.41Å; L548-L556 VanDerWaalsContact CD2-CB 3.41Å; L548-L556 HydrophobicContact CD2-CD1 4.22Å; L548-L556 HydrophobicContact CD2-CG 4.47Å; L548-L556 HydrophobicContact CG-CB 3.83Å; L548-L556 HydrophobicContact CG-CD1 4.29Å; S553-L556 PolarHBondContact O-N 2.83Å; S553-L556 VanDerWaalsContact O-N 3.08Å; P554-L556 PolarHBondContact O-N 3.03Å; L556-R558 VanDerWaalsContact C-N 3.31Å; L556-R558 PolarHBondContact O-N 3.32Å; L556-I559 HydrophobicContact CD2-CD1 4.37Å; L556-I559 WeakPolarHBondContact O-CB 3.26Å; L556-I559 PolarHBondContact O-N 3.14Å; L556-K560 PolarHBondContact O-N 2.97Å
557	W	94.3	Very high	92	Very high	36 Å²	36	38.7 Å²	38.7	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-37.1	172.6	-79.9	106.5	0	0	0	112.9	L548 D552 S553 P554 K560 L561 A628 H631 L632	L548-W557 HydrophobicContact CD2-CD2 4.14Å; L548-W557 HydrophobicContact CD2-CG 3.98Å; D552-W557 PolarHBondContact OD1-NE1 2.94Å; S553-W557 PolarHBondContact O-N 2.8Å; P554-W557 PolarHBondContact O-N 3.34Å; W557-K560 HydrophobicContact CE3-CD 4.22Å; W557-K560 HydrophobicContact CZ3-CD 4.1Å; W557-K560 PolarHBondContact O-N 2.84Å; W557-L561 WeakPolarHBondContact O-CB 3.49Å; W557-L561 PolarHBondContact O-N 3.06Å; W557-A628 HydrophobicContact CE3-CB 3.86Å; W557-A628 HydrophobicContact CZ3-CB 4.18Å; W557-H631 AromaticContact CD1-CE1 3.4Å; W557-H631 AromaticContact CD1-ND1 3.55Å; W557-H631 HydrophobicContact CD2-CB 4.5Å; W557-H631 AromaticContact CD2-ND1 3.96Å; W557-H631 AromaticContact CE2-CD2 3.89Å; W557-H631 AromaticContact CE2-CE1 3.79Å; W557-H631 AromaticContact CE2-CG 3.88Å; W557-H631 AromaticContact CE2-ND1 3.84Å; W557-H631 AromaticContact CE2-NE2 3.83Å; W557-H631 AromaticContact CG-ND1 3.78Å; W557-H631 AromaticContact CZ2-CD2 3.9Å; W557-H631 AromaticContact NE1-CD2 3.99Å; W557-H631 AromaticContact NE1-CE1 3.18Å; W557-H631 PolarHBondContact NE1-CE1 3.32Å; W557-H631 AromaticContact NE1-ND1 3.57Å; W557-H631 AromaticContact NE1-NE2 3.46Å; W557-H631 PolarHBondContact NE1-NE2 3.35Å; W557-L632 HydrophobicContact CB-CD1 4.4Å; W557-L632 HydrophobicContact CB-CD2 3.72Å; W557-L632 HydrophobicContact CB-CG 3.97Å
558	R	93.7	Very high	91.9	Very high	37 Å²	37	38.3 Å²	38.3	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-38.8	173.6	-64.1	171.8	-170.1	127.4	8.9	112.2	L516 P554 Y555 L556 K560 L561 F562 L632 L762 L763 D765	L516-R558 HydrophobicContact CD1-CB 3.33Å; L516-R558 HydrophobicContact CD1-CG 4.4Å; L516-R558 HydrophobicContact CG-CB 4.25Å; P554-R558 VanDerWaalsContact O-CG 3.3Å; P554-R558 WeakPolarHBondContact O-CG 3.47Å; P554-R558 PolarHBondContact O-N 2.88Å; Y555-R558 PolarHBondContact O-N 2.99Å; L556-R558 VanDerWaalsContact C-N 3.31Å; L556-R558 PolarHBondContact O-N 3.32Å; R558-K560 VanDerWaalsContact C-N 3.34Å; R558-L561 PolarHBondContact O-N 2.89Å; R558-F562 VanDerWaalsContact O-CB 3.3Å; R558-F562 WeakPolarHBondContact O-CB 3.33Å; R558-F562 PolarHBondContact O-N 3.47Å; R558-L632 HydrophobicContact CB-CD1 4.49Å; R558-L632 HydrophobicContact CG-CD1 3.77Å; R558-L632 HydrophobicContact CG-CD2 3.89Å; R558-L762 PolarHBondContact NE-O 3.48Å; R558-L763 WeakPolarHBondContact CG-O 3.45Å; R558-D765 WeakPolarHBondContact CD-OD2 3.4Å; R558-D765 IonicContact CZ-OD1 3.8Å; R558-D765 IonicContact CZ-OD2 3.8Å; R558-D765 IonicContact NE-OD1 3.55Å; R558-D765 PolarHBondContact NE-OD1 3Å; R558-D765 IonicContact NE-OD2 3.75Å; R558-D765 IonicContact NH1-OD1 3.14Å; R558-D765 PolarHBondContact NH1-OD1 3.08Å; R558-D765 IonicContact NH1-OD2 2.59Å; R558-D765 PolarHBondContact NH1-OD2 3.1Å; R558-D765 VanDerWaalsContact NH1-OD2 3.13Å; R558-D765 IonicContact NH2-OD1 2.68Å
559	I	93.9	Very high	91.7	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-46.8	172.1	-64.6	174.6	0	0	0	109.9	L509 L516 L544 Y555 L556 L561 F562 L563	L509-I559 HydrophobicContact CD2-CD1 4.4Å; L516-I559 HydrophobicContact CD2-CD1 4.43Å; L516-I559 HydrophobicContact CD2-CG1 3.6Å; L544-I559 HydrophobicContact CD1-CB 4.37Å; L544-I559 HydrophobicContact CD1-CG2 4.33Å; L544-I559 HydrophobicContact CD2-CB 4.48Å; L544-I559 HydrophobicContact CD2-CG2 3.94Å; Y555-I559 HydrophobicContact CD1-CD1 4.18Å; Y555-I559 HydrophobicContact CE1-CD1 3.56Å; Y555-I559 HydrophobicContact CE1-CG1 4.47Å; Y555-I559 HydrophobicContact CE2-CD1 4.43Å; Y555-I559 PolarHBondContact O-N 2.75Å; Y555-I559 VanDerWaalsContact O-N 3.1Å; L556-I559 HydrophobicContact CD2-CD1 4.37Å; L556-I559 WeakPolarHBondContact O-CB 3.26Å; L556-I559 PolarHBondContact O-N 3.14Å; I559-L561 VanDerWaalsContact C-N 3.35Å; I559-L561 PolarHBondContact O-N 2.72Å; I559-F562 WeakPolarHBondContact O-CB 3.28Å; I559-F562 PolarHBondContact O-N 2.82Å; I559-L563 HydrophobicContact CG2-CD1 4Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CG 3.49Å; I559-L563 PolarHBondContact O-N 2.95Å
560	K	94	Very high	91.5	Very high	38 Å²	38	31.7 Å²	31.7	17%	0.165	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-46.3	178.9	-171.7	163.5	-178.9	161.1	0	111.5	L544 D545 L548 L556 W557 R558 F562 L563 A564	L544-K560 HydrophobicContact CD2-CB 3.91Å; L544-K560 HydrophobicContact CD2-CG 4.42Å; D545-K560 IonicContact OD1-NZ 3.27Å; D545-K560 PolarHBondContact OD1-NZ 2.86Å; L548-K560 HydrophobicContact CD1-CB 4.5Å; L548-K560 HydrophobicContact CD1-CD 3.7Å; L556-K560 PolarHBondContact O-N 2.97Å; W557-K560 HydrophobicContact CE3-CD 4.22Å; W557-K560 HydrophobicContact CZ3-CD 4.1Å; W557-K560 PolarHBondContact O-N 2.84Å; R558-K560 VanDerWaalsContact C-N 3.34Å; K560-F562 PolarHBondContact O-N 2.77Å; K560-L563 PolarHBondContact O-N 2.83Å; K560-A564 WeakPolarHBondContact O-CB 3.49Å; K560-A564 PolarHBondContact O-N 2.61Å
561	L	93.6	Very high	91.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-44.5	175.5	177.2	57	0	0	0	111.9	W557 R558 I559 A564 R565 M625 A628 E629 L632 L763	W557-L561 WeakPolarHBondContact O-CB 3.49Å; W557-L561 PolarHBondContact O-N 3.06Å; R558-L561 PolarHBondContact O-N 2.89Å; I559-L561 VanDerWaalsContact C-N 3.35Å; I559-L561 PolarHBondContact O-N 2.72Å; L561-A564 PolarHBondContact O-N 2.93Å; L561-R565 HydrophobicContact CD1-CG 4.11Å; L561-R565 WeakPolarHBondContact O-CB 3.3Å; L561-R565 VanDerWaalsContact O-CG 3.3Å; L561-R565 WeakPolarHBondContact O-CG 3.31Å; L561-R565 PolarHBondContact O-N 3.03Å; L561-M625 HydrophobicContact CD1-CB 4.27Å; L561-M625 HydrophobicContact CD1-CG 4.44Å; L561-A628 HydrophobicContact CB-CB 4.01Å; L561-A628 HydrophobicContact CD1-CB 4.33Å; L561-E629 HydrophobicContact CD1-CG 3.54Å; L561-E629 HydrophobicContact CD2-CG 3.55Å; L561-E629 HydrophobicContact CG-CG 4.19Å; L561-L632 HydrophobicContact CD2-CD1 3.95Å; L561-L763 HydrophobicContact CD2-CB 4.26Å; L561-L763 HydrophobicContact CD2-CD2 3.87Å; L561-L763 HydrophobicContact CD2-CG 4.47Å
562	F	93.3	Very high	91	Very high	14 Å²	14	26.6 Å²	26.6	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-57.4	-52.7	176.4	171.4	-90	0	0	0	111.2	C79 M81 L523 R527 R558 I559 K560 A564 R565 V566	C79-F562 VanDerWaalsContact SG-CE2 3.55Å; C79-F562 VanDerWaalsContact SG-CZ 3.58Å; M81-F562 HydrophobicContact CE-CD2 3.48Å; M81-F562 VanDerWaalsContact CE-CD2 3.48Å; M81-F562 HydrophobicContact CE-CE2 3.8Å; M81-F562 HydrophobicContact CE-CG 4.02Å; M81-F562 VanDerWaalsContact CE-O 3.26Å; M81-F562 WeakPolarHBondContact CE-O 3.47Å; M81-F562 HydrophobicContact CG-CD2 4.36Å; M81-F562 HydrophobicContact CG-CE2 4.32Å; M81-F562 HydrophobicContact SD-CD2 3.4Å; M81-F562 WeakPolarHBondContact SD-CD2 3.43Å; M81-F562 HydrophobicContact SD-CE2 3.12Å; M81-F562 WeakPolarHBondContact SD-CE2 3.16Å; M81-F562 HydrophobicContact SD-CG 4.42Å; M81-F562 HydrophobicContact SD-CZ 3.95Å; L523-F562 HydrophobicContact CB-CE1 4.33Å; L523-F562 HydrophobicContact CB-CE2 4.19Å; L523-F562 HydrophobicContact CB-CZ 3.8Å; L523-F562 HydrophobicContact CD1-CE2 4.48Å; L523-F562 HydrophobicContact CD2-CD1 4.03Å; L523-F562 HydrophobicContact CD2-CE1 3.89Å; L523-F562 HydrophobicContact CD2-CE2 4.44Å; L523-F562 HydrophobicContact CD2-CG 4.39Å; L523-F562 HydrophobicContact CD2-CZ 4.09Å; L523-F562 HydrophobicContact CG-CZ 4.43Å; R527-F562 HydrophobicContact CB-CE1 4.39Å; R527-F562 HydrophobicContact CB-CZ 3.92Å; R558-F562 VanDerWaalsContact O-CB 3.3Å; R558-F562 WeakPolarHBondContact O-CB 3.33Å; R558-F562 PolarHBondContact O-N 3.47Å; I559-F562 WeakPolarHBondContact O-CB 3.28Å; I559-F562 PolarHBondContact O-N 2.82Å; K560-F562 PolarHBondContact O-N 2.77Å; F562-A564 VanDerWaalsContact C-N 3.33Å; F562-A564 PolarHBondContact O-N 2.75Å; F562-R565 PolarHBondContact O-N 3.49Å; F562-R565 VanDerWaalsContact O-N 3.16Å; F562-V566 HydrophobicContact CD1-CG2 4.37Å; F562-V566 HydrophobicContact CE1-CG2 4.02Å; F562-V566 HydrophobicContact CE2-CG2 4.4Å; F562-V566 HydrophobicContact CZ-CG2 4.04Å; F562-V566 WeakPolarHBondContact O-CG2 3.46Å; F562-V566 PolarHBondContact O-N 3.15Å
563	L	93.6	Very high	89.9	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-43.7	179.7	-69	173	0	0	0	111.9	V526 V530 V536 L540 L544 I559 K560 R565 V566 L567	V526-L563 HydrophobicContact CG1-CD2 3.64Å; V530-L563 HydrophobicContact CG2-CD2 4.28Å; V536-L563 HydrophobicContact CG1-CD1 4.05Å; V536-L563 HydrophobicContact CG1-CD2 4.43Å; V536-L563 HydrophobicContact CG2-CB 4.13Å; L540-L563 HydrophobicContact CD2-CD1 4.02Å; L540-L563 HydrophobicContact CD2-CD2 4.15Å; L540-L563 HydrophobicContact CG-CD1 4.19Å; L544-L563 HydrophobicContact CD2-CD1 3.93Å; I559-L563 HydrophobicContact CG2-CD1 4Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CG 3.49Å; I559-L563 PolarHBondContact O-N 2.95Å; K560-L563 PolarHBondContact O-N 2.83Å; L563-R565 VanDerWaalsContact C-N 3.34Å; L563-R565 PolarHBondContact O-N 3.11Å; L563-V566 PolarHBondContact O-N 3.46Å; L563-L567 WeakPolarHBondContact O-CB 3.15Å; L563-L567 PolarHBondContact O-N 3.23Å
564	A	92.3	Very high	88.4	Confident	11 Å²	11	30 Å²	30	9%	0.091	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-41.4	177.1	0	0	0	0	0	111.7	K560 L561 F562 L567 H568 V621 M625	K560-A564 WeakPolarHBondContact O-CB 3.49Å; K560-A564 PolarHBondContact O-N 2.61Å; L561-A564 PolarHBondContact O-N 2.93Å; F562-A564 VanDerWaalsContact C-N 3.33Å; F562-A564 PolarHBondContact O-N 2.75Å; A564-L567 PolarHBondContact O-N 3.09Å; A564-H568 VanDerWaalsContact O-CB 3.3Å; A564-H568 WeakPolarHBondContact O-CB 2.98Å; A564-H568 PolarHBondContact O-N 2.99Å; A564-V621 HydrophobicContact CB-CG1 4.43Å; A564-V621 VanDerWaalsContact O-CG1 3.22Å; A564-V621 WeakPolarHBondContact O-CG1 3.42Å; A564-M625 HydrophobicContact CB-CG 3.66Å
565	R	91.3	Very high	86.4	Confident	27 Å²	27	39.1 Å²	39.1	10%	0.102	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-45	176	-75.7	170.4	171.3	-165.4	-9.6	112.6	M81 L561 F562 L563 L567 H568 L569 M625 E629 D739	M81-R565 HydrophobicContact CE-CB 3.52Å; L561-R565 HydrophobicContact CD1-CG 4.11Å; L561-R565 WeakPolarHBondContact O-CB 3.3Å; L561-R565 VanDerWaalsContact O-CG 3.3Å; L561-R565 WeakPolarHBondContact O-CG 3.31Å; L561-R565 PolarHBondContact O-N 3.03Å; F562-R565 PolarHBondContact O-N 3.49Å; F562-R565 VanDerWaalsContact O-N 3.16Å; L563-R565 VanDerWaalsContact C-N 3.34Å; L563-R565 PolarHBondContact O-N 3.11Å; R565-L567 VanDerWaalsContact C-N 3.34Å; R565-H568 PolarHBondContact O-N 2.93Å; R565-L569 WeakPolarHBondContact O-CG 3.21Å; R565-L569 PolarHBondContact O-N 2.83Å; R565-M625 HydrophobicContact CG-CE 3.77Å; R565-M625 HydrophobicContact CG-CG 4.28Å; R565-M625 HydrophobicContact CG-SD 4.33Å; R565-E629 IonicContact CZ-OE1 3.27Å; R565-E629 IonicContact NE-OE1 3.23Å; R565-E629 PolarHBondContact NE-OE1 3.08Å; R565-E629 IonicContact NH2-OE1 2.64Å; R565-E629 PolarHBondContact NH2-OE1 3.01Å; R565-D739 IonicContact CZ-OD2 2.66Å; R565-D739 IonicContact NH1-OD1 3.86Å; R565-D739 IonicContact NH1-OD2 2.86Å; R565-D739 PolarHBondContact NH1-OD2 2.94Å; R565-D739 IonicContact NH2-OD2 3.18Å
566	V	91.4	Very high	83.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-45.3	175.6	-177.8	0	0	0	0	110.3	M81 R527 V530 L531 F562 L563 H568 L569 T570	M81-V566 HydrophobicContact CE-CB 4.41Å; M81-V566 HydrophobicContact CE-CG2 3.33Å; M81-V566 HydrophobicContact SD-CG2 3.73Å; R527-V566 HydrophobicContact CB-CG2 4.26Å; R527-V566 HydrophobicContact CG-CG1 3.92Å; R527-V566 HydrophobicContact CG-CG2 3.96Å; V530-V566 HydrophobicContact CB-CG1 3.93Å; V530-V566 HydrophobicContact CG1-CB 4.24Å; V530-V566 HydrophobicContact CG1-CG1 3.72Å; L531-V566 HydrophobicContact CD2-CG1 3.9Å; L531-V566 HydrophobicContact CG-CG1 4.04Å; F562-V566 HydrophobicContact CD1-CG2 4.37Å; F562-V566 HydrophobicContact CE1-CG2 4.02Å; F562-V566 HydrophobicContact CE2-CG2 4.4Å; F562-V566 HydrophobicContact CZ-CG2 4.04Å; F562-V566 WeakPolarHBondContact O-CG2 3.46Å; F562-V566 PolarHBondContact O-N 3.15Å; L563-V566 PolarHBondContact O-N 3.46Å; V566-H568 VanDerWaalsContact C-N 3.34Å; V566-H568 PolarHBondContact O-N 3.42Å; V566-L569 WeakPolarHBondContact O-CB 3.44Å; V566-L569 PolarHBondContact O-N 3.46Å; V566-T570 PolarHBondContact O-N 3.07Å
567	L	91.6	Very high	81.1	Confident	33 Å²	33	51.2 Å²	51.2	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-45.1	178.2	-176.8	62.9	0	0	0	111	K534 V536 L563 A564 R565 L569 T570 L571 V621	K534-L567 WeakPolarHBondContact O-CD1 3.39Å; V536-L567 HydrophobicContact CG2-CB 4.38Å; V536-L567 HydrophobicContact CG2-CD2 4.24Å; L563-L567 WeakPolarHBondContact O-CB 3.15Å; L563-L567 PolarHBondContact O-N 3.23Å; A564-L567 PolarHBondContact O-N 3.09Å; R565-L567 VanDerWaalsContact C-N 3.34Å; L567-L569 VanDerWaalsContact C-N 3.29Å; L567-L569 PolarHBondContact O-N 3.48Å; L567-T570 PolarHBondContact O-N 3.41Å; L567-T570 PolarHBondContact O-OG1 3.41Å; L567-L571 HydrophobicContact CG-CD1 4.43Å; L567-L571 WeakPolarHBondContact O-CG 3.27Å; L567-L571 PolarHBondContact O-N 3.23Å; L567-V621 HydrophobicContact CB-CG1 4.45Å; L567-V621 HydrophobicContact CD2-CG1 4.48Å; L567-V621 HydrophobicContact CD2-CG2 3.62Å; L567-V621 HydrophobicContact CG-CG2 4.13Å
568	H	90.4	Very high	78.3	Confident	37 Å²	37	57.8 Å²	57.8	17%	0.171	29%	0.292	C	S	.	.	H	α-helix	trans	-56.5	-41.9	175.9	-176.9	-104.2	0	0	0	112	A564 R565 V566 T570 L571 Q572 V621 M625	A564-H568 VanDerWaalsContact O-CB 3.3Å; A564-H568 WeakPolarHBondContact O-CB 2.98Å; A564-H568 PolarHBondContact O-N 2.99Å; R565-H568 PolarHBondContact O-N 2.93Å; V566-H568 VanDerWaalsContact C-N 3.34Å; V566-H568 PolarHBondContact O-N 3.42Å; H568-T570 VanDerWaalsContact C-N 3.31Å; H568-T570 PolarHBondContact O-N 3.29Å; H568-L571 PolarHBondContact O-N 2.96Å; H568-L571 VanDerWaalsContact O-N 3.14Å; H568-Q572 PolarHBondContact CE1-NE2 2.9Å; H568-Q572 PolarHBondContact ND1-NE2 2.75Å; H568-Q572 VanDerWaalsContact ND1-NE2 3.12Å; H568-Q572 PolarHBondContact O-N 2.72Å; H568-Q572 VanDerWaalsContact O-N 3.15Å; H568-V621 HydrophobicContact CB-CG1 3.79Å; H568-M625 HydrophobicContact CB-SD 3.6Å
569	L	88.3	Confident	75.4	Confident	18 Å²	18	64.4 Å²	64.4	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-38.9	174.3	-68	170.9	0	0	0	112.7	M81 R565 V566 L567 L571 Q572	M81-L569 VanDerWaalsContact C-CD1 3.41Å; M81-L569 WeakPolarHBondContact O-CD1 3.47Å; R565-L569 WeakPolarHBondContact O-CG 3.21Å; R565-L569 PolarHBondContact O-N 2.83Å; V566-L569 WeakPolarHBondContact O-CB 3.44Å; V566-L569 PolarHBondContact O-N 3.46Å; L567-L569 VanDerWaalsContact C-N 3.29Å; L567-L569 PolarHBondContact O-N 3.48Å; L569-L571 PolarHBondContact O-N 3.5Å; L569-Q572 PolarHBondContact O-N 3.45Å
570	T	87.4	Confident	72.3	Confident	26 Å²	26	75.1 Å²	75.1	16%	0.16	36%	0.362	C	S	.	.	H	α-helix	trans	-67.8	-24.5	178.4	67.6	0	0	0	0	113.2	L531 V566 L567 H568	L531-T570 HydrophobicContact CD2-CG2 3.6Å; V566-T570 PolarHBondContact O-N 3.07Å; L567-T570 PolarHBondContact O-N 3.41Å; L567-T570 PolarHBondContact O-OG1 3.41Å; H568-T570 VanDerWaalsContact C-N 3.31Å; H568-T570 PolarHBondContact O-N 3.29Å
571	L	85.1	Confident	69.2	Low	39 Å²	39	81.7 Å²	81.7	20%	0.204	39%	0.391	C	S	.	.	H	α-helix	trans	-87.5	-19.8	179.6	-62.9	175.2	0	0	0	112.3	L567 H568 L569 R617 R618 V621	L567-L571 HydrophobicContact CG-CD1 4.43Å; L567-L571 WeakPolarHBondContact O-CG 3.27Å; L567-L571 PolarHBondContact O-N 3.23Å; H568-L571 PolarHBondContact O-N 2.96Å; H568-L571 VanDerWaalsContact O-N 3.14Å; L569-L571 PolarHBondContact O-N 3.5Å; L571-R617 HydrophobicContact CD1-CB 4.44Å; L571-R618 HydrophobicContact CB-CG 3.78Å; L571-R618 HydrophobicContact CD1-CG 4.27Å; L571-R618 PolarHBondContact O-NE 3.48Å; L571-R618 PolarHBondContact O-NH2 2.84Å; L571-V621 HydrophobicContact CD1-CB 4.44Å; L571-V621 HydrophobicContact CD1-CG2 3.97Å
572	Q	81.1	Confident	66.1	Low	76 Å²	76	86.1 Å²	86.1	36%	0.355	42%	0.42	S	S	.	.	S	Bend	trans	-64.8	137.3	176.4	-73.3	-178.4	17.7	0	0	111	H568 L569	H568-Q572 PolarHBondContact CE1-NE2 2.9Å; H568-Q572 PolarHBondContact ND1-NE2 2.75Å; H568-Q572 VanDerWaalsContact ND1-NE2 3.12Å; H568-Q572 PolarHBondContact O-N 2.72Å; H568-Q572 VanDerWaalsContact O-N 3.15Å; L569-Q572 PolarHBondContact O-N 3.45Å
573	A	64.3	Low	62.9	Low	67 Å²	67	97.2 Å²	97.2	55%	0.554	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-57.8	139.8	171.1	0	0	0	0	0	109.5	R575	A573-R575 PolarHBondContact O-N 3.14Å
574	P	59.2	Low	59.9	Low	118 Å²	118	108.1 Å²	108.1	77%	0.766	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-56.1	118.3	176.5	21.2	-29.6	0	0	0	108.1	T576	P574-T576 VanDerWaalsContact C-N 3.32Å; P574-T576 PolarHBondContact O-N 3.07Å
575	R	49.8	Very low	57.1	Low	219 Å²	219	114.4 Å²	114.4	83%	0.826	54%	0.54	S	S	*	.			trans	-60.9	102.4	170.3	-71.3	-175.3	173.7	-169.5	-2.5	105.9	A573 E577	A573-R575 PolarHBondContact O-N 3.14Å; R575-E577 PolarHBondContact O-N 3.35Å
576	T	39.8	Very low	54.2	Low	112 Å²	112	117.3 Å²	117.3	69%	0.687	57%	0.57	S	S	*	*			trans	-52.9	115.4	160.8	28.8	0	0	0	0	105	P574 H578	P574-T576 VanDerWaalsContact C-N 3.32Å; P574-T576 PolarHBondContact O-N 3.07Å; T576-H578 VanDerWaalsContact C-N 3.31Å; T576-H578 PolarHBondContact O-N 2.99Å
577	E	34.4	Very low	51.4	Low	160 Å²	160	123.7 Å²	123.7	75%	0.748	61%	0.608	S	S	*	*			trans	-51.1	105.8	172.1	-70.2	-177.3	168.1	0	0	106	R575 K579	R575-E577 PolarHBondContact O-N 3.35Å; E577-K579 PolarHBondContact O-N 3.06Å
578	H	35.3	Very low	48.5	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.806	64%	0.641	S	S	*	*			trans	-63.7	89.5	166.7	-72.3	-55.1	0	0	0	104.7	T576 W580	T576-H578 VanDerWaalsContact C-N 3.31Å; T576-H578 PolarHBondContact O-N 2.99Å; H578-W580 PolarHBondContact O-N 3.29Å
579	K	33.7	Very low	45.6	Very low	177 Å²	177	136.3 Å²	136.3	77%	0.77	67%	0.672	S	S	*	*			trans	-49.7	101.7	156.3	-79.7	-178.4	178.5	177.6	0	104.2	E577 K581	E577-K579 PolarHBondContact O-N 3.06Å; K579-K581 PolarHBondContact O-N 3.48Å
580	W	29	Very low	42.7	Very low	228 Å²	228	142.8 Å²	142.8	86%	0.864	71%	0.706	S	S	*	*			trans	-60.9	94.6	175.2	-167.9	66.5	0	0	0	105.9	H578 P582	H578-W580 PolarHBondContact O-N 3.29Å; W580-P582 WeakPolarHBondContact O-CD 3.48Å
581	K	28.4	Very low	39.9	Very low	177 Å²	177	148 Å²	148	77%	0.77	74%	0.738	S	S	*	*			trans	-78.3	117.4	169.7	-78.4	-173.2	178.1	-178.7	0	105.2	K579 R583	K579-K581 PolarHBondContact O-N 3.48Å; K581-R583 PolarHBondContact O-N 2.84Å; K581-R583 VanDerWaalsContact O-N 3.13Å
582	P	28.5	Very low	37.2	Very low	93 Å²	93	153.1 Å²	153.1	60%	0.604	76%	0.761	S	S	*	*			trans	-58.3	124.5	171.8	0.4	6.5	0	0	0	107.3	W580 R584	W580-P582 WeakPolarHBondContact O-CD 3.48Å; P582-R584 PolarHBondContact O-N 2.76Å
583	R	27.2	Very low	34.6	Very low	247 Å²	247	158.8 Å²	158.8	93%	0.932	79%	0.787	S	S	*	*			trans	-64.4	90	167.5	-80.8	-175.8	173.2	-173.2	-1.7	107.3	K581 T585	K581-R583 PolarHBondContact O-N 2.84Å; K581-R583 VanDerWaalsContact O-N 3.13Å; R583-T585 PolarHBondContact O-N 3.06Å
584	R	30.5	Very low	32.8	Very low	231 Å²	231	163.1 Å²	163.1	87%	0.872	80%	0.796	S	S	*	*			trans	-71.3	105.3	158.8	-84.4	-173.9	170.6	-179.2	-2.4	106.4	P582 A586	P582-R584 PolarHBondContact O-N 2.76Å; R584-A586 PolarHBondContact O-N 2.91Å
585	T	32.8	Very low	31.3	Very low	144 Å²	144	167.1 Å²	167.1	88%	0.883	80%	0.804	S	S	*	*			trans	-64.8	83.7	162.4	-14.4	0	0	0	0	107.2	R583	R583-T585 PolarHBondContact O-N 3.06Å
586	A	29.1	Very low	30.2	Very low	88 Å²	88	164.9 Å²	164.9	73%	0.727	80%	0.803	S	S	*	*			trans	-86.2	115.9	167.3	0	0	0	0	0	107.6	R584 K588	R584-A586 PolarHBondContact O-N 2.91Å; A586-K588 PolarHBondContact O-N 3.5Å
587	V	32.6	Very low	29.6	Very low	134 Å²	134	166.4 Å²	166.4	81%	0.812	81%	0.807	S	S	*	*			trans	-49.2	133	169.7	173.1	0	0	0	0	109.4	V589	V587-V589 PolarHBondContact O-N 2.99Å
588	K	31.1	Very low	29.2	Very low	199 Å²	199	167.7 Å²	167.7	87%	0.865	81%	0.813	S	S	*	*			trans	-52.3	120	173	-73.7	176.8	173.9	-178.4	0	110.1	A586	A586-K588 PolarHBondContact O-N 3.5Å
589	V	29.2	Very low	28.9	Very low	135 Å²	135	164.2 Å²	164.2	82%	0.818	81%	0.814	S	S	*	*			trans	-119.9	116.9	150.2	177.9	0	0	0	0	106	V587	V587-V589 PolarHBondContact O-N 2.99Å
590	L	29.2	Very low	28.8	Very low	155 Å²	155	162.2 Å²	162.2	81%	0.812	82%	0.817	S	S	*	*			trans	-65.3	122.9	175.2	-75.6	137.1	0	0	0	109.4
591	V	28.8	Very low	28.8	Very low	135 Å²	135	159.6 Å²	159.6	82%	0.818	81%	0.814	S	S	*	*			trans	-134.9	121.8	140.2	-178.1	0	0	0	0	106.6
592	Q	26.8	Very low	28.7	Very low	147 Å²	147	161.9 Å²	161.9	69%	0.687	82%	0.818	S	S	*	*			trans	-86.1	124.3	-178.6	-175	179.7	0.6	0	0	106.9
593	E	27.4	Very low	28.8	Very low	194 Å²	194	163.9 Å²	163.9	91%	0.907	83%	0.828	S	S	*	*			trans	-146.1	121.4	156.6	-109.2	169.1	-153.5	0	0	107.4
594	E	26.7	Very low	29	Very low	158 Å²	158	160.8 Å²	160.8	74%	0.738	82%	0.824	S	S	*	*			trans	-83.4	131.2	-173.5	-63.7	165.9	165.3	0	0	108.8
595	E	27.3	Very low	28.9	Very low	202 Å²	202	152.3 Å²	152.3	94%	0.944	81%	0.809	S	S	*	*			trans	-141.7	122.4	147.5	-76.3	-164.8	157	0	0	108.7
596	E	26.8	Very low	29	Very low	173 Å²	173	154.8 Å²	154.8	81%	0.808	81%	0.811	S	S	*	*			trans	-79.8	156.4	179.4	-71.4	176.4	143.1	0	0	112
597	D	25.7	Very low	29.2	Very low	143 Å²	143	153.8 Å²	153.8	77%	0.765	80%	0.802	S	S	*	*			trans	70.2	115.4	149.2	-62.8	-17.9	0	0	0	121.3
598	E	27.3	Very low	29.3	Very low	187 Å²	187	150.5 Å²	150.5	87%	0.874	80%	0.796	S	S	*	*				-161.8	124.5	93.2	-100	-172.1	-179.2	0	0	111.3	V600	E598-V600 PolarHBondContact O-N 3.41Å
599	A	29.6	Very low	29.7	Very low	101 Å²	101	143.6 Å²	143.6	84%	0.835	78%	0.781	S	S	*	*			trans	-74.4	113.4	174.6	0	0	0	0	0	110.4
600	V	31.4	Very low	30.7	Very low	135 Å²	135	142.5 Å²	142.5	82%	0.818	77%	0.774	S	S	*	*			trans	-91.4	112.5	164.2	-175.4	0	0	0	0	108	E598 R602	E598-V600 PolarHBondContact O-N 3.41Å; V600-R602 PolarHBondContact O-N 2.78Å
601	E	27.6	Very low	31.8	Very low	174 Å²	174	142 Å²	142	81%	0.813	77%	0.767	S	S	*	*			trans	-50.3	130.5	175.4	-69.8	-162.8	146.8	0	0	111.9	V603	E601-V603 PolarHBondContact O-N 2.81Å
602	R	28	Very low	33.4	Very low	225 Å²	225	137.1 Å²	137.1	85%	0.849	75%	0.745	S	S	*	*			trans	-71.9	106.9	166.5	-70.8	-179.6	-176.3	175.1	1.5	108.1	V600 E604	V600-R602 PolarHBondContact O-N 2.78Å; R602-E604 VanDerWaalsContact C-N 3.31Å; R602-E604 PolarHBondContact O-N 2.96Å
603	V	28.6	Very low	35.2	Very low	135 Å²	135	136.2 Å²	136.2	82%	0.818	74%	0.741	S	S	*	*			trans	-71.8	94.7	158.1	-178.9	0	0	0	0	106.9	E601 G605	E601-V603 PolarHBondContact O-N 2.81Å; V603-G605 PolarHBondContact O-N 3.31Å; V603-G605 VanDerWaalsContact O-N 3.1Å
604	E	32.9	Very low	37.2	Very low	181 Å²	181	128.8 Å²	128.8	85%	0.846	71%	0.712	S	S	*	*			trans	-68	95.8	161.3	-73.7	-175.1	164.9	0	0	107.9	R602	R602-E604 VanDerWaalsContact C-N 3.31Å; R602-E604 PolarHBondContact O-N 2.96Å
605	G	28.3	Very low	39.7	Very low	53 Å²	53	125.8 Å²	125.8	55%	0.546	70%	0.699	S	S	.	*			trans	-137	111.9	175.1	0	0	0	0	0	110.8	V603 A607	V603-G605 PolarHBondContact O-N 3.31Å; V603-G605 VanDerWaalsContact O-N 3.1Å; G605-A607 PolarHBondContact O-N 3.21Å
606	E	34.4	Very low	42.3	Very low	197 Å²	197	121.4 Å²	121.4	92%	0.921	68%	0.682	S	S	*	*	S	Bend	trans	57	41.8	153.2	-58.8	-174.2	158.1	0	0	118.9
607	A	34.2	Very low	45	Very low	66 Å²	66	119.1 Å²	119.1	55%	0.545	67%	0.666	S	S	.	*			trans	-89.8	-16.1	169.6	0	0	0	0	0	114.5	G605 G609	G605-A607 PolarHBondContact O-N 3.21Å; A607-G609 PolarHBondContact O-N 3.39Å
608	G	33	Very low	47.8	Very low	66 Å²	66	115.8 Å²	115.8	68%	0.68	64%	0.642	S	S	*	*	H	α-helix	trans	-75.2	-22.4	-167.8	0	0	0	0	0	116.7
609	G	39.7	Very low	50.7	Low	54 Å²	54	109.9 Å²	109.9	56%	0.557	62%	0.619	S	S	*	*	H	α-helix	trans	-84.1	-34.3	-177	0	0	0	0	0	114.4	A607	A607-G609 PolarHBondContact O-N 3.39Å
610	V	50.5	Low	53.6	Low	111 Å²	111	110.9 Å²	110.9	67%	0.673	61%	0.607	S	S	*	*	H	α-helix	trans	-82.9	-28.4	-174.8	-177.4	0	0	0	0	111.9	A614	V610-A614 WeakPolarHBondContact O-CB 3.29Å; V610-A614 PolarHBondContact O-N 2.9Å
611	E	53.5	Low	56.4	Low	144 Å²	144	104.8 Å²	104.8	67%	0.673	57%	0.57	S	S	*	*	H	α-helix	trans	-71.6	-36.4	176	-69.8	-171	159.7	0	0	112.4	A614 E615	E611-A614 PolarHBondContact O-N 3.21Å; E611-E615 PolarHBondContact O-N 3.41Å; E611-E615 VanDerWaalsContact O-N 3.1Å
612	G	60.8	Low	59.5	Low	34 Å²	34	100.9 Å²	100.9	35%	0.351	55%	0.551	S	S	.	*	H	α-helix	trans	-63	-50.1	177.1	0	0	0	0	0	113.1	A614 E615 D616	G612-A614 VanDerWaalsContact C-N 3.27Å; G612-A614 PolarHBondContact O-N 2.98Å; G612-E615 PolarHBondContact O-N 2.82Å; G612-D616 PolarHBondContact O-N 3.19Å
613	E	64.8	Low	62.6	Low	127 Å²	127	93.9 Å²	93.9	59%	0.593	53%	0.534	S	S	*	.	H	α-helix	trans	-63.8	-31.6	178.7	-67.7	-173.1	173.3	0	0	113.2	R617	E613-R617 WeakPolarHBondContact O-CG 3.45Å; E613-R617 PolarHBondContact O-N 2.96Å; E613-R617 VanDerWaalsContact O-N 3.15Å
614	A	70.3	Confident	65.6	Low	38 Å²	38	91 Å²	91	31%	0.314	51%	0.514	S	S	.	.	H	α-helix	trans	-72.2	-37.1	177.3	0	0	0	0	0	112	V610 E611 G612 R618	V610-A614 WeakPolarHBondContact O-CB 3.29Å; V610-A614 PolarHBondContact O-N 2.9Å; E611-A614 PolarHBondContact O-N 3.21Å; G612-A614 VanDerWaalsContact C-N 3.27Å; G612-A614 PolarHBondContact O-N 2.98Å; A614-R618 VanDerWaalsContact O-CG 3.29Å; A614-R618 WeakPolarHBondContact O-CG 3.23Å; A614-R618 PolarHBondContact O-N 3.36Å; A614-R618 VanDerWaalsContact O-N 3.12Å
615	E	78	Confident	68.4	Low	96 Å²	96	83.9 Å²	83.9	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-72.8	-39.3	177.1	-160.9	64.3	-168.5	0	0	111.7	E611 G612 R617 R618 T619	E611-E615 PolarHBondContact O-N 3.41Å; E611-E615 VanDerWaalsContact O-N 3.1Å; G612-E615 PolarHBondContact O-N 2.82Å; E615-R617 PolarHBondContact O-N 3.11Å; E615-R618 WeakPolarHBondContact O-CB 3.45Å; E615-R618 PolarHBondContact O-N 2.88Å; E615-R618 VanDerWaalsContact O-N 3.15Å; E615-R618 WeakPolarHBondContact OE2-CD 3.14Å; E615-R618 IonicContact OE2-CZ 3.73Å; E615-R618 IonicContact OE2-NE 2.61Å; E615-R618 IonicContact OE2-NH1 2.94Å; E615-R618 PolarHBondContact OE2-NH1 3.33Å; E615-T619 WeakPolarHBondContact O-CG2 3.39Å; E615-T619 PolarHBondContact O-N 3.09Å; E615-T619 PolarHBondContact O-OG1 3.04Å
616	D	81.9	Confident	71.4	Confident	110 Å²	110	86.6 Å²	86.6	59%	0.588	48%	0.479	S	S	*	.	H	α-helix	trans	-60.4	-44.9	173.2	-71.8	-17.2	0	0	0	111.4	G612 R618 T619 E620	G612-D616 PolarHBondContact O-N 3.19Å; D616-R618 VanDerWaalsContact C-N 3.32Å; D616-R618 PolarHBondContact O-N 2.89Å; D616-T619 PolarHBondContact O-N 2.85Å; D616-T619 PolarHBondContact O-OG1 3.04Å; D616-E620 WeakPolarHBondContact O-CB 3.41Å; D616-E620 PolarHBondContact O-N 3.32Å
617	R	83.9	Confident	74.2	Confident	125 Å²	125	80.5 Å²	80.5	47%	0.472	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-35.4	174.6	-79.7	-176.4	177.6	157.2	9.5	113.2	L571 E613 E615 V621	L571-R617 HydrophobicContact CD1-CB 4.44Å; E613-R617 WeakPolarHBondContact O-CG 3.45Å; E613-R617 PolarHBondContact O-N 2.96Å; E613-R617 VanDerWaalsContact O-N 3.15Å; E615-R617 PolarHBondContact O-N 3.11Å; R617-V621 VanDerWaalsContact O-CG2 3.26Å; R617-V621 WeakPolarHBondContact O-CG2 3.19Å; R617-V621 PolarHBondContact O-N 3.24Å; R617-V621 VanDerWaalsContact O-N 3.07Å
618	R	85.6	Confident	76.9	Confident	72 Å²	72	77.3 Å²	77.3	27%	0.272	43%	0.429	S	S	.	.	H	α-helix	trans	-65.4	-46.4	176.6	-77.3	167.7	-179.8	170.5	3.6	111.2	L571 A614 E615 D616 E620 V621 Q622	L571-R618 HydrophobicContact CB-CG 3.78Å; L571-R618 HydrophobicContact CD1-CG 4.27Å; L571-R618 PolarHBondContact O-NE 3.48Å; L571-R618 PolarHBondContact O-NH2 2.84Å; A614-R618 VanDerWaalsContact O-CG 3.29Å; A614-R618 WeakPolarHBondContact O-CG 3.23Å; A614-R618 PolarHBondContact O-N 3.36Å; A614-R618 VanDerWaalsContact O-N 3.12Å; E615-R618 WeakPolarHBondContact O-CB 3.45Å; E615-R618 PolarHBondContact O-N 2.88Å; E615-R618 VanDerWaalsContact O-N 3.15Å; E615-R618 WeakPolarHBondContact OE2-CD 3.14Å; E615-R618 IonicContact OE2-CZ 3.73Å; E615-R618 IonicContact OE2-NE 2.61Å; E615-R618 IonicContact OE2-NH1 2.94Å; E615-R618 PolarHBondContact OE2-NH1 3.33Å; D616-R618 VanDerWaalsContact C-N 3.32Å; D616-R618 PolarHBondContact O-N 2.89Å; R618-E620 VanDerWaalsContact C-N 3.34Å; R618-V621 PolarHBondContact O-N 3.44Å; R618-Q622 WeakPolarHBondContact O-CB 3.49Å; R618-Q622 PolarHBondContact O-N 2.76Å
619	T	88.3	Confident	79.7	Confident	63 Å²	63	75.2 Å²	75.2	39%	0.387	40%	0.401	S	S	.	.	H	α-helix	trans	-65.5	-38	179.7	57.7	0	0	0	0	111.7	E615 D616 Q622 T623	E615-T619 WeakPolarHBondContact O-CG2 3.39Å; E615-T619 PolarHBondContact O-N 3.09Å; E615-T619 PolarHBondContact O-OG1 3.04Å; D616-T619 PolarHBondContact O-N 2.85Å; D616-T619 PolarHBondContact O-OG1 3.04Å; T619-Q622 PolarHBondContact O-N 3.22Å; T619-T623 WeakPolarHBondContact O-CB 3.31Å; T619-T623 PolarHBondContact O-N 2.79Å; T619-T623 PolarHBondContact O-OG1 2.84Å
620	E	90.5	Very high	82.1	Confident	123 Å²	123	77.1 Å²	77.1	58%	0.575	40%	0.397	S	S	*	.	H	α-helix	trans	-59.9	-51.3	172.8	-174.1	-177.4	-169.6	0	0	111.6	D616 R618 Q622 T623 L624	D616-E620 WeakPolarHBondContact O-CB 3.41Å; D616-E620 PolarHBondContact O-N 3.32Å; R618-E620 VanDerWaalsContact C-N 3.34Å; E620-Q622 VanDerWaalsContact C-N 3.32Å; E620-Q622 PolarHBondContact O-N 3.38Å; E620-T623 WeakPolarHBondContact O-CB 3.18Å; E620-T623 PolarHBondContact O-N 2.86Å; E620-T623 VanDerWaalsContact O-N 3.17Å; E620-L624 WeakPolarHBondContact O-CG 3.35Å; E620-L624 PolarHBondContact O-N 2.56Å
621	V	90.3	Very high	84.1	Confident	7 Å²	7	74.2 Å²	74.2	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-38.1	179.3	176.1	0	0	0	0	111.6	A564 L567 H568 L571 R617 R618 T623 L624 M625	A564-V621 HydrophobicContact CB-CG1 4.43Å; A564-V621 VanDerWaalsContact O-CG1 3.22Å; A564-V621 WeakPolarHBondContact O-CG1 3.42Å; L567-V621 HydrophobicContact CB-CG1 4.45Å; L567-V621 HydrophobicContact CD2-CG1 4.48Å; L567-V621 HydrophobicContact CD2-CG2 3.62Å; L567-V621 HydrophobicContact CG-CG2 4.13Å; H568-V621 HydrophobicContact CB-CG1 3.79Å; L571-V621 HydrophobicContact CD1-CB 4.44Å; L571-V621 HydrophobicContact CD1-CG2 3.97Å; R617-V621 VanDerWaalsContact O-CG2 3.26Å; R617-V621 WeakPolarHBondContact O-CG2 3.19Å; R617-V621 PolarHBondContact O-N 3.24Å; R617-V621 VanDerWaalsContact O-N 3.07Å; R618-V621 PolarHBondContact O-N 3.44Å; V621-T623 VanDerWaalsContact C-N 3.32Å; V621-T623 PolarHBondContact O-N 2.94Å; V621-L624 PolarHBondContact O-N 2.87Å; V621-M625 HydrophobicContact CG1-SD 4.31Å; V621-M625 WeakPolarHBondContact O-CG 3.29Å; V621-M625 PolarHBondContact O-N 3.37Å
622	Q	91.8	Very high	86	Confident	91 Å²	91	67.5 Å²	67.5	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-39.1	175.6	-171.8	173.4	9.8	0	0	111.8	R618 T619 E620 M625 Q626	R618-Q622 WeakPolarHBondContact O-CB 3.49Å; R618-Q622 PolarHBondContact O-N 2.76Å; T619-Q622 PolarHBondContact O-N 3.22Å; E620-Q622 VanDerWaalsContact C-N 3.32Å; E620-Q622 PolarHBondContact O-N 3.38Å; Q622-M625 PolarHBondContact O-N 2.99Å; Q622-Q626 WeakPolarHBondContact O-CG 3.35Å; Q622-Q626 PolarHBondContact O-N 3.24Å
623	T	92.8	Very high	87.5	Confident	78 Å²	78	66.3 Å²	66.3	48%	0.479	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-44.4	174.7	-55	0	0	0	0	110.7	T619 E620 V621 M625 Q626 V627	T619-T623 WeakPolarHBondContact O-CB 3.31Å; T619-T623 PolarHBondContact O-N 2.79Å; T619-T623 PolarHBondContact O-OG1 2.84Å; E620-T623 WeakPolarHBondContact O-CB 3.18Å; E620-T623 PolarHBondContact O-N 2.86Å; E620-T623 VanDerWaalsContact O-N 3.17Å; V621-T623 VanDerWaalsContact C-N 3.32Å; V621-T623 PolarHBondContact O-N 2.94Å; T623-M625 VanDerWaalsContact C-N 3.33Å; T623-M625 PolarHBondContact O-N 2.84Å; T623-Q626 PolarHBondContact O-N 2.85Å; T623-V627 HydrophobicContact CG2-CG2 4.48Å; T623-V627 VanDerWaalsContact O-CG2 3.31Å; T623-V627 WeakPolarHBondContact O-CG2 3.42Å; T623-V627 PolarHBondContact O-N 3.26Å
624	L	92	Very high	88.7	Confident	76 Å²	76	61.2 Å²	61.2	40%	0.398	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-41.9	175.2	-71.6	170.5	0	0	0	112.4	E620 V621 V627 A628	E620-L624 WeakPolarHBondContact O-CG 3.35Å; E620-L624 PolarHBondContact O-N 2.56Å; V621-L624 PolarHBondContact O-N 2.87Å; L624-V627 PolarHBondContact O-N 2.88Å; L624-A628 WeakPolarHBondContact O-CB 3.37Å; L624-A628 PolarHBondContact O-N 3.28Å
625	M	91.9	Very high	89.7	Confident	30 Å²	30	61.6 Å²	61.6	15%	0.148	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-47.9	175.2	-71.6	164.8	59	0	0	111.5	L561 A564 R565 H568 V621 Q622 T623 V627 A628 E629	L561-M625 HydrophobicContact CD1-CB 4.27Å; L561-M625 HydrophobicContact CD1-CG 4.44Å; A564-M625 HydrophobicContact CB-CG 3.66Å; R565-M625 HydrophobicContact CG-CE 3.77Å; R565-M625 HydrophobicContact CG-CG 4.28Å; R565-M625 HydrophobicContact CG-SD 4.33Å; H568-M625 HydrophobicContact CB-SD 3.6Å; V621-M625 HydrophobicContact CG1-SD 4.31Å; V621-M625 WeakPolarHBondContact O-CG 3.29Å; V621-M625 PolarHBondContact O-N 3.37Å; Q622-M625 PolarHBondContact O-N 2.99Å; T623-M625 VanDerWaalsContact C-N 3.33Å; T623-M625 PolarHBondContact O-N 2.84Å; M625-V627 PolarHBondContact O-N 3.46Å; M625-A628 PolarHBondContact O-N 2.95Å; M625-E629 WeakPolarHBondContact O-CB 3.45Å; M625-E629 WeakPolarHBondContact O-CG 3.27Å; M625-E629 PolarHBondContact O-N 2.82Å
626	Q	91.2	Very high	90.4	Very high	110 Å²	110	58.3 Å²	58.3	51%	0.514	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-42	-179.8	-72.5	175.1	5.3	0	0	111.9	Q622 T623 M630	Q622-Q626 WeakPolarHBondContact O-CG 3.35Å; Q622-Q626 PolarHBondContact O-N 3.24Å; T623-Q626 PolarHBondContact O-N 2.85Å; Q626-M630 WeakPolarHBondContact O-CB 3.41Å; Q626-M630 PolarHBondContact O-N 3.01Å
627	V	92.3	Very high	90.9	Very high	69 Å²	69	53 Å²	53	42%	0.418	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-49	176.6	170.9	0	0	0	0	110.9	T623 L624 M625 M630 H631	T623-V627 HydrophobicContact CG2-CG2 4.48Å; T623-V627 VanDerWaalsContact O-CG2 3.31Å; T623-V627 WeakPolarHBondContact O-CG2 3.42Å; T623-V627 PolarHBondContact O-N 3.26Å; L624-V627 PolarHBondContact O-N 2.88Å; M625-V627 PolarHBondContact O-N 3.46Å; V627-M630 PolarHBondContact O-N 3.04Å; V627-H631 WeakPolarHBondContact O-CB 3.29Å; V627-H631 PolarHBondContact O-N 2.82Å
628	A	92.5	Very high	91.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-42.5	-179.5	0	0	0	0	0	112.5	W557 L561 L624 M625 H631 L632	W557-A628 HydrophobicContact CE3-CB 3.86Å; W557-A628 HydrophobicContact CZ3-CB 4.18Å; L561-A628 HydrophobicContact CB-CB 4.01Å; L561-A628 HydrophobicContact CD1-CB 4.33Å; L624-A628 WeakPolarHBondContact O-CB 3.37Å; L624-A628 PolarHBondContact O-N 3.28Å; M625-A628 PolarHBondContact O-N 2.95Å; A628-H631 PolarHBondContact O-N 3.25Å; A628-L632 WeakPolarHBondContact O-CG 3.17Å; A628-L632 PolarHBondContact O-N 2.89Å; A628-L632 VanDerWaalsContact O-N 3.1Å
629	E	92.2	Very high	91.6	Very high	21 Å²	21	50.8 Å²	50.8	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-44.9	174.8	-75.3	-179.8	-177.7	0	0	111.8	L561 R565 M625 L632 M633 K707 L763	L561-E629 HydrophobicContact CD1-CG 3.54Å; L561-E629 HydrophobicContact CD2-CG 3.55Å; L561-E629 HydrophobicContact CG-CG 4.19Å; R565-E629 IonicContact CZ-OE1 3.27Å; R565-E629 IonicContact NE-OE1 3.23Å; R565-E629 PolarHBondContact NE-OE1 3.08Å; R565-E629 IonicContact NH2-OE1 2.64Å; R565-E629 PolarHBondContact NH2-OE1 3.01Å; M625-E629 WeakPolarHBondContact O-CB 3.45Å; M625-E629 WeakPolarHBondContact O-CG 3.27Å; M625-E629 PolarHBondContact O-N 2.82Å; E629-L632 PolarHBondContact O-N 2.82Å; E629-M633 VanDerWaalsContact O-CB 3.31Å; E629-M633 WeakPolarHBondContact O-CB 3.37Å; E629-M633 WeakPolarHBondContact O-CG 3.42Å; E629-M633 PolarHBondContact O-N 2.79Å; E629-K707 IonicContact OE2-NZ 3.57Å; E629-K707 PolarHBondContact OE2-NZ 2.79Å; E629-L763 HydrophobicContact CG-CD2 4.39Å
630	M	90.2	Very high	91.7	Very high	94 Å²	94	47.8 Å²	47.8	46%	0.463	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-41.7	179.8	-175.8	171.9	64.4	0	0	111.4	Q626 V627 M633 R634	Q626-M630 WeakPolarHBondContact O-CB 3.41Å; Q626-M630 PolarHBondContact O-N 3.01Å; V627-M630 PolarHBondContact O-N 3.04Å; M630-M633 PolarHBondContact O-N 2.8Å; M630-R634 HydrophobicContact CG-CG 4.23Å; M630-R634 WeakPolarHBondContact O-CB 3.27Å; M630-R634 VanDerWaalsContact O-CG 3.23Å; M630-R634 WeakPolarHBondContact O-CG 3.41Å; M630-R634 PolarHBondContact O-N 3.17Å
631	H	91.8	Very high	91.6	Very high	50 Å²	50	42 Å²	42	23%	0.231	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-52.4	175.3	-178.3	-74.9	0	0	0	111.3	D552 W557 V627 A628 M633 R634 D635	D552-H631 IonicContact OD1-CE1 3.83Å; D552-H631 PolarHBondContact OD1-CE1 2.86Å; D552-H631 VanDerWaalsContact OD1-CE1 3.27Å; D552-H631 IonicContact OD1-NE2 3.63Å; D552-H631 PolarHBondContact OD1-NE2 2.93Å; D552-H631 IonicContact OD2-CE1 3.23Å; D552-H631 IonicContact OD2-NE2 2.97Å; D552-H631 PolarHBondContact OD2-NE2 2.78Å; W557-H631 AromaticContact CD1-CE1 3.4Å; W557-H631 AromaticContact CD1-ND1 3.55Å; W557-H631 HydrophobicContact CD2-CB 4.5Å; W557-H631 AromaticContact CD2-ND1 3.96Å; W557-H631 AromaticContact CE2-CD2 3.89Å; W557-H631 AromaticContact CE2-CE1 3.79Å; W557-H631 AromaticContact CE2-CG 3.88Å; W557-H631 AromaticContact CE2-ND1 3.84Å; W557-H631 AromaticContact CE2-NE2 3.83Å; W557-H631 AromaticContact CG-ND1 3.78Å; W557-H631 AromaticContact CZ2-CD2 3.9Å; W557-H631 AromaticContact NE1-CD2 3.99Å; W557-H631 AromaticContact NE1-CE1 3.18Å; W557-H631 PolarHBondContact NE1-CE1 3.32Å; W557-H631 AromaticContact NE1-ND1 3.57Å; W557-H631 AromaticContact NE1-NE2 3.46Å; W557-H631 PolarHBondContact NE1-NE2 3.35Å; V627-H631 WeakPolarHBondContact O-CB 3.29Å; V627-H631 PolarHBondContact O-N 2.82Å; A628-H631 PolarHBondContact O-N 3.25Å; H631-M633 VanDerWaalsContact C-N 3.32Å; H631-M633 PolarHBondContact O-N 2.87Å; H631-R634 PolarHBondContact O-N 3.49Å; H631-D635 PolarHBondContact O-N 2.87Å
632	L	92.9	Very high	91.5	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-41.7	177.9	-72.3	170.8	0	0	0	112.7	P554 W557 R558 L561 A628 E629 H636 L762 L763	P554-L632 HydrophobicContact CB-CD2 4.06Å; P554-L632 WeakPolarHBondContact O-CD2 3.45Å; W557-L632 HydrophobicContact CB-CD1 4.4Å; W557-L632 HydrophobicContact CB-CD2 3.72Å; W557-L632 HydrophobicContact CB-CG 3.97Å; R558-L632 HydrophobicContact CB-CD1 4.49Å; R558-L632 HydrophobicContact CG-CD1 3.77Å; R558-L632 HydrophobicContact CG-CD2 3.89Å; L561-L632 HydrophobicContact CD2-CD1 3.95Å; A628-L632 WeakPolarHBondContact O-CG 3.17Å; A628-L632 PolarHBondContact O-N 2.89Å; A628-L632 VanDerWaalsContact O-N 3.1Å; E629-L632 PolarHBondContact O-N 2.82Å; L632-H636 WeakPolarHBondContact O-CB 3.23Å; L632-H636 PolarHBondContact O-N 2.73Å; L632-L762 HydrophobicContact CB-CD1 4.02Å; L632-L763 HydrophobicContact CB-CD2 4.2Å; L632-L763 HydrophobicContact CD1-CD2 3.96Å
633	M	91.5	Very high	91.3	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-46.2	178.1	-70.3	-74.6	-85.8	0	0	111	E629 M630 H631 H636 M637 C706 K707 V721 Y724 L762	E629-M633 VanDerWaalsContact O-CB 3.31Å; E629-M633 WeakPolarHBondContact O-CB 3.37Å; E629-M633 WeakPolarHBondContact O-CG 3.42Å; E629-M633 PolarHBondContact O-N 2.79Å; M630-M633 PolarHBondContact O-N 2.8Å; H631-M633 VanDerWaalsContact C-N 3.32Å; H631-M633 PolarHBondContact O-N 2.87Å; M633-H636 PolarHBondContact O-N 3.36Å; M633-M637 VanDerWaalsContact O-CG 3.25Å; M633-M637 WeakPolarHBondContact O-CG 3.36Å; M633-M637 PolarHBondContact O-N 3.03Å; M633-C706 HydrophobicContact CE-CB 3.81Å; M633-C706 WeakPolarHBondContact CE-SG 3.44Å; M633-K707 HydrophobicContact CE-CG 4.42Å; M633-V721 HydrophobicContact SD-CG2 4.23Å; M633-Y724 HydrophobicContact CE-CD1 4.41Å; M633-Y724 HydrophobicContact CE-CE1 3.64Å; M633-Y724 PolarHBondContact O-OH 2.91Å; M633-Y724 HydrophobicContact SD-CE1 4.16Å; M633-L762 HydrophobicContact CG-CD1 4.26Å; M633-L762 HydrophobicContact SD-CD1 3.76Å; M633-L762 HydrophobicContact SD-CD2 3.69Å; M633-L762 HydrophobicContact SD-CG 4.27Å
634	R	91.3	Very high	91	Very high	21 Å²	21	36.8 Å²	36.8	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-45.6	179.2	-73	178.2	66.9	76.2	14.5	111.6	M630 H631 H636 M637 K638 L665 D668 D671	M630-R634 HydrophobicContact CG-CG 4.23Å; M630-R634 WeakPolarHBondContact O-CB 3.27Å; M630-R634 VanDerWaalsContact O-CG 3.23Å; M630-R634 WeakPolarHBondContact O-CG 3.41Å; M630-R634 PolarHBondContact O-N 3.17Å; H631-R634 PolarHBondContact O-N 3.49Å; R634-H636 VanDerWaalsContact C-N 3.33Å; R634-H636 PolarHBondContact O-N 2.76Å; R634-M637 WeakPolarHBondContact O-CB 3.46Å; R634-M637 PolarHBondContact O-N 2.87Å; R634-K638 WeakPolarHBondContact O-CG 3.43Å; R634-K638 PolarHBondContact O-N 2.89Å; R634-K638 VanDerWaalsContact O-N 3.1Å; R634-L665 HydrophobicContact CB-CD2 4.04Å; R634-L665 HydrophobicContact CG-CD2 4.1Å; R634-L665 PolarHBondContact NH1-O 3.07Å; R634-L665 PolarHBondContact NH2-O 3.26Å; R634-D668 VanDerWaalsContact CZ-CB 3.49Å; R634-D668 IonicContact CZ-OD2 3.77Å; R634-D668 IonicContact NE-OD2 3.63Å; R634-D668 VanDerWaalsContact NH2-CB 3.3Å; R634-D668 IonicContact NH2-OD2 3.63Å; R634-D671 IonicContact CZ-OD2 3.71Å; R634-D671 IonicContact NH2-OD2 2.85Å; R634-D671 PolarHBondContact NH2-OD2 3.41Å
635	D	91.2	Very high	90.6	Very high	45 Å²	45	37 Å²	37	24%	0.241	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-42.9	175.6	-179.1	59.2	0	0	0	111.9	P554 H631 K638 K639	P554-D635 WeakPolarHBondContact CG-OD2 3.49Å; H631-D635 PolarHBondContact O-N 2.87Å; D635-K638 PolarHBondContact O-N 2.93Å; D635-K639 PolarHBondContact O-N 3.33Å; D635-K639 WeakPolarHBondContact OD2-CE 3.33Å; D635-K639 IonicContact OD2-NZ 3.94Å; D635-K639 PolarHBondContact OD2-NZ 3.4Å
636	H	92.8	Very high	90.2	Very high	27 Å²	27	41.3 Å²	41.3	13%	0.125	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-39.6	175.4	-172.2	64.1	0	0	0	112.7	L632 M633 R634 K638 K639 V640 L722 Y724 L762	L632-H636 WeakPolarHBondContact O-CB 3.23Å; L632-H636 PolarHBondContact O-N 2.73Å; M633-H636 PolarHBondContact O-N 3.36Å; R634-H636 VanDerWaalsContact C-N 3.33Å; R634-H636 PolarHBondContact O-N 2.76Å; H636-K638 VanDerWaalsContact C-N 3.31Å; H636-K638 PolarHBondContact O-N 3.48Å; H636-K639 WeakPolarHBondContact O-CB 3.34Å; H636-K639 PolarHBondContact O-N 2.8Å; H636-K639 VanDerWaalsContact O-N 3.1Å; H636-V640 WeakPolarHBondContact NE2-CG2 3.36Å; H636-V640 WeakPolarHBondContact O-CG2 3.38Å; H636-V640 PolarHBondContact O-N 3.25Å; H636-L722 PolarHBondContact NE2-O 3.48Å; H636-Y724 AromaticContact CD2-CE2 3.73Å; H636-Y724 AromaticContact CD2-CZ 3.78Å; H636-Y724 PolarHBondContact CD2-OH 2.86Å; H636-Y724 VanDerWaalsContact CD2-OH 3.25Å; H636-L762 HydrophobicContact CB-CD2 4.27Å
637	M	92.6	Very high	89.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-42.8	174.4	-70.8	177.4	-174.9	0	0	111.9	M633 R634 K639 V640 L641 L661 Y664 L665 F703 C706 Y724	M633-M637 VanDerWaalsContact O-CG 3.25Å; M633-M637 WeakPolarHBondContact O-CG 3.36Å; M633-M637 PolarHBondContact O-N 3.03Å; R634-M637 WeakPolarHBondContact O-CB 3.46Å; R634-M637 PolarHBondContact O-N 2.87Å; M637-K639 VanDerWaalsContact C-N 3.32Å; M637-K639 PolarHBondContact O-N 2.97Å; M637-V640 PolarHBondContact O-N 3.19Å; M637-L641 WeakPolarHBondContact O-CB 3.43Å; M637-L641 WeakPolarHBondContact O-CG 3.5Å; M637-L641 PolarHBondContact O-N 3.24Å; M637-L661 HydrophobicContact CB-CD2 4.47Å; M637-L661 HydrophobicContact CE-CD2 4.14Å; M637-L661 HydrophobicContact CG-CD2 3.81Å; M637-L661 HydrophobicContact SD-CD2 3.86Å; M637-Y664 HydrophobicContact CE-CD1 3.84Å; M637-Y664 HydrophobicContact CE-CE1 3.85Å; M637-Y664 HydrophobicContact SD-CD1 3.57Å; M637-Y664 VanDerWaalsContact SD-CD1 3.57Å; M637-Y664 HydrophobicContact SD-CE1 3.98Å; M637-Y664 HydrophobicContact SD-CG 4.5Å; M637-L665 HydrophobicContact CB-CD1 4.04Å; M637-L665 HydrophobicContact CB-CD2 4.16Å; M637-L665 HydrophobicContact CB-CG 4.29Å; M637-L665 HydrophobicContact SD-CD2 4.25Å; M637-L665 HydrophobicContact SD-CG 4.39Å; M637-F703 HydrophobicContact CE-CZ 4.38Å; M637-C706 HydrophobicContact CE-CB 3.34Å; M637-Y724 HydrophobicContact CB-CE2 4.27Å; M637-Y724 HydrophobicContact CE-CD1 3.9Å; M637-Y724 HydrophobicContact CE-CE1 3.51Å; M637-Y724 HydrophobicContact CG-CD2 4.18Å; M637-Y724 HydrophobicContact CG-CE1 3.93Å; M637-Y724 HydrophobicContact CG-CE2 3.49Å; M637-Y724 VanDerWaalsContact CG-CE2 3.49Å; M637-Y724 WeakPolarHBondContact CG-OH 3.46Å; M637-Y724 PolarHBondContact N-OH 2.94Å
638	K	91.8	Very high	88.8	Confident	46 Å²	46	37.3 Å²	37.3	20%	0.2	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-43.2	174.9	-63.2	-179.1	-145.5	-170.8	0	111.1	R634 D635 H636 L641 G642 L665 D671 S674 L677	R634-K638 WeakPolarHBondContact O-CG 3.43Å; R634-K638 PolarHBondContact O-N 2.89Å; R634-K638 VanDerWaalsContact O-N 3.1Å; D635-K638 PolarHBondContact O-N 2.93Å; H636-K638 VanDerWaalsContact C-N 3.31Å; H636-K638 PolarHBondContact O-N 3.48Å; K638-L641 PolarHBondContact O-N 3.46Å; K638-G642 PolarHBondContact O-N 3.31Å; K638-L665 HydrophobicContact CG-CD1 4.15Å; K638-D671 WeakPolarHBondContact CE-OD2 3.42Å; K638-D671 IonicContact NZ-OD1 3.51Å; K638-D671 PolarHBondContact NZ-OD1 2.62Å; K638-D671 IonicContact NZ-OD2 3.76Å; K638-D671 PolarHBondContact NZ-OD2 2.9Å; K638-S674 WeakPolarHBondContact CD-OG 3.33Å; K638-S674 WeakPolarHBondContact CE-OG 3.41Å; K638-L677 HydrophobicContact CB-CD2 4.22Å; K638-L677 WeakPolarHBondContact O-CD2 3.27Å
639	K	91.6	Very high	87.3	Confident	104 Å²	104	48 Å²	48	45%	0.452	23%	0.227	S	C	.	.	H	α-helix	trans	-61.9	-46.5	176.1	-71.4	168.4	177.4	157.7	0	112	D635 H636 M637 L641 G642 V643	D635-K639 PolarHBondContact O-N 3.33Å; D635-K639 WeakPolarHBondContact OD2-CE 3.33Å; D635-K639 IonicContact OD2-NZ 3.94Å; D635-K639 PolarHBondContact OD2-NZ 3.4Å; H636-K639 WeakPolarHBondContact O-CB 3.34Å; H636-K639 PolarHBondContact O-N 2.8Å; H636-K639 VanDerWaalsContact O-N 3.1Å; M637-K639 VanDerWaalsContact C-N 3.32Å; M637-K639 PolarHBondContact O-N 2.97Å; K639-L641 PolarHBondContact O-N 3.48Å; K639-G642 PolarHBondContact O-N 2.88Å; K639-V643 WeakPolarHBondContact O-CG2 3.38Å; K639-V643 PolarHBondContact O-N 3.27Å
640	V	90.6	Very high	85.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-47.1	177.1	174	0	0	0	0	110.9	H636 M637 G642 V643 V644 I656 L661 L722 Y724 L756	H636-V640 WeakPolarHBondContact NE2-CG2 3.36Å; H636-V640 WeakPolarHBondContact O-CG2 3.38Å; H636-V640 PolarHBondContact O-N 3.25Å; M637-V640 PolarHBondContact O-N 3.19Å; V640-G642 VanDerWaalsContact C-N 3.33Å; V640-G642 PolarHBondContact O-N 2.9Å; V640-V643 PolarHBondContact O-N 3.24Å; V640-V644 WeakPolarHBondContact O-CG2 3.44Å; V640-V644 PolarHBondContact O-N 2.59Å; V640-I656 HydrophobicContact CG1-CD1 4.04Å; V640-I656 HydrophobicContact CG1-CG2 3.98Å; V640-L661 HydrophobicContact CG1-CD1 4.38Å; V640-L722 VanDerWaalsContact CG2-O 3.31Å; V640-L722 WeakPolarHBondContact CG2-O 3.4Å; V640-Y724 HydrophobicContact CG2-CE2 4.09Å; V640-L756 HydrophobicContact CG1-CD2 4.22Å; V640-L756 HydrophobicContact CG2-CD1 4.24Å; V640-L756 HydrophobicContact CG2-CD2 4.37Å
641	L	89.5	Confident	84.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-38.6	176.7	-75.5	-178.8	0	0	0	112.5	M637 K638 K639 V644 Y645 T658 L661 M662 L665 L677 I681	M637-L641 WeakPolarHBondContact O-CB 3.43Å; M637-L641 WeakPolarHBondContact O-CG 3.5Å; M637-L641 PolarHBondContact O-N 3.24Å; K638-L641 PolarHBondContact O-N 3.46Å; K639-L641 PolarHBondContact O-N 3.48Å; L641-V644 WeakPolarHBondContact O-CB 3.42Å; L641-V644 PolarHBondContact O-N 3.46Å; L641-Y645 WeakPolarHBondContact O-CB 3.33Å; L641-Y645 PolarHBondContact O-N 3.48Å; L641-T658 HydrophobicContact CD2-CG2 3.72Å; L641-L661 HydrophobicContact CD1-CB 4.21Å; L641-L661 HydrophobicContact CD2-CB 4.06Å; L641-L661 HydrophobicContact CD2-CD1 4.15Å; L641-L661 HydrophobicContact CG-CB 4.28Å; L641-L661 HydrophobicContact CG-CD1 4.4Å; L641-M662 HydrophobicContact CD1-CG 4.2Å; L641-M662 HydrophobicContact CD2-CG 4.45Å; L641-L665 HydrophobicContact CD1-CD1 3.59Å; L641-L677 HydrophobicContact CB-CD2 3.81Å; L641-L677 HydrophobicContact CB-CG 4.43Å; L641-I681 HydrophobicContact CB-CD1 3.67Å; L641-I681 HydrophobicContact CD1-CD1 4.49Å; L641-I681 HydrophobicContact CD2-CD1 4.12Å; L641-I681 HydrophobicContact CG-CD1 4.32Å; L641-I681 WeakPolarHBondContact O-CD1 3.2Å
642	G	88.2	Confident	82.7	Confident	19 Å²	19	54.4 Å²	54.4	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-43.9	172.3	0	0	0	0	0	112.4	K638 K639 V640 Y645 L646	K638-G642 PolarHBondContact O-N 3.31Å; K639-G642 PolarHBondContact O-N 2.88Å; V640-G642 VanDerWaalsContact C-N 3.33Å; V640-G642 PolarHBondContact O-N 2.9Å; G642-Y645 PolarHBondContact O-N 3.24Å; G642-L646 WeakPolarHBondContact O-CG 3.43Å; G642-L646 PolarHBondContact O-N 3.22Å
643	V	87.5	Confident	81.4	Confident	47 Å²	47	59.5 Å²	59.5	29%	0.285	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-43.9	174.9	174.7	0	0	0	0	110.9	K639 V640 Y645 L646 N647 W752	K639-V643 WeakPolarHBondContact O-CG2 3.38Å; K639-V643 PolarHBondContact O-N 3.27Å; V640-V643 PolarHBondContact O-N 3.24Å; V643-Y645 VanDerWaalsContact C-N 3.34Å; V643-Y645 PolarHBondContact O-N 2.91Å; V643-L646 PolarHBondContact O-N 3.09Å; V643-N647 PolarHBondContact O-N 3.04Å; V643-N647 VanDerWaalsContact O-N 3.15Å; V643-N647 PolarHBondContact O-ND2 2.67Å; V643-W752 HydrophobicContact CG1-CD2 4.48Å; V643-W752 HydrophobicContact CG1-CE3 3.56Å; V643-W752 HydrophobicContact CG1-CZ3 3.95Å
644	V	84.9	Confident	80.3	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-48.9	174.5	167.7	0	0	0	0	110.6	V640 L641 L646 N647 T648 I654 I656 T658 W752	V640-V644 WeakPolarHBondContact O-CG2 3.44Å; V640-V644 PolarHBondContact O-N 2.59Å; L641-V644 WeakPolarHBondContact O-CB 3.42Å; L641-V644 PolarHBondContact O-N 3.46Å; V644-L646 VanDerWaalsContact C-N 3.3Å; V644-L646 PolarHBondContact O-N 3.4Å; V644-N647 PolarHBondContact O-N 3.4Å; V644-T648 HydrophobicContact CG1-CG2 4.21Å; V644-T648 PolarHBondContact O-N 2.62Å; V644-T648 PolarHBondContact O-OG1 3.05Å; V644-I654 HydrophobicContact CB-CD1 4.39Å; V644-I654 HydrophobicContact CG1-CD1 3.45Å; V644-I654 VanDerWaalsContact CG1-CD1 3.45Å; V644-I654 HydrophobicContact CG2-CD1 4.02Å; V644-I656 HydrophobicContact CG2-CB 4.45Å; V644-I656 HydrophobicContact CG2-CD1 3.63Å; V644-I656 HydrophobicContact CG2-CG2 4.18Å; V644-T658 HydrophobicContact CG1-CG2 4.36Å; V644-W752 HydrophobicContact CG2-CH2 3.98Å; V644-W752 HydrophobicContact CG2-CZ3 4.22Å
645	Y	83.4	Confident	79.5	Confident	81 Å²	81	60.4 Å²	60.4	32%	0.318	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-40.4	-179.8	178.2	-103.6	0	0	0	112.5	L641 G642 V643 H680 I681 K684	L641-Y645 WeakPolarHBondContact O-CB 3.33Å; L641-Y645 PolarHBondContact O-N 3.48Å; G642-Y645 PolarHBondContact O-N 3.24Å; V643-Y645 VanDerWaalsContact C-N 3.34Å; V643-Y645 PolarHBondContact O-N 2.91Å; Y645-H680 HydrophobicContact CD2-CB 4.42Å; Y645-H680 HydrophobicContact CE2-CB 3.86Å; Y645-I681 HydrophobicContact CD2-CG1 3.85Å; Y645-I681 HydrophobicContact CG-CG1 4.24Å; Y645-K684 HydrophobicContact CD2-CD 3.84Å; Y645-K684 HydrophobicContact CE2-CB 4.45Å; Y645-K684 HydrophobicContact CE2-CD 3.82Å; Y645-K684 PolarHBondContact O-NZ 2.98Å
646	L	84.2	Confident	79.2	Confident	120 Å²	120	58.6 Å²	58.6	63%	0.628	30%	0.295	S	S	*	.	H	α-helix	trans	-70.9	-33	179.4	-68.6	171	0	0	0	112.9	G642 V643 V644	G642-L646 WeakPolarHBondContact O-CG 3.43Å; G642-L646 PolarHBondContact O-N 3.22Å; V643-L646 PolarHBondContact O-N 3.09Å; V644-L646 VanDerWaalsContact C-N 3.3Å; V644-L646 PolarHBondContact O-N 3.4Å
647	N	81.4	Confident	79	Confident	73 Å²	73	57.9 Å²	57.9	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-102.3	-15.3	-169	-69.8	-80.7	0	0	0	114.9	V643 V644 W752	V643-N647 PolarHBondContact O-N 3.04Å; V643-N647 VanDerWaalsContact O-N 3.15Å; V643-N647 PolarHBondContact O-ND2 2.67Å; V644-N647 PolarHBondContact O-N 3.4Å; N647-W752 HydrophobicContact CB-CD2 3.91Å; N647-W752 HydrophobicContact CB-CG 3.89Å; N647-W752 HydrophobicContact CB-CZ2 4.46Å
648	T	73.3	Confident	78.7	Confident	22 Å²	22	58.4 Å²	58.4	14%	0.135	30%	0.295	C	S	.	.			trans	-93.3	115.5	178.8	45.8	0	0	0	0	111.7	V644 I654 K684	V644-T648 HydrophobicContact CG1-CG2 4.21Å; V644-T648 PolarHBondContact O-N 2.62Å; V644-T648 PolarHBondContact O-OG1 3.05Å; T648-I654 HydrophobicContact CG2-CD1 3.93Å; T648-I654 HydrophobicContact CG2-CG2 3.87Å; T648-K684 WeakPolarHBondContact O-CE 3.44Å; T648-K684 PolarHBondContact O-NZ 3.18Å
649	W	61.5	Low	78.4	Confident	224 Å²	224	58 Å²	58	85%	0.848	30%	0.298	S	S	*	.	S	Bend	trans	-112.4	-24.3	175.3	-72.2	52.5	0	0	0	112.4
650	V	56.6	Low	78.1	Confident	96 Å²	96	53.7 Å²	53.7	58%	0.582	28%	0.283	S	S	*	.	S	Bend	trans	-126.6	142.9	179.8	-177.8	0	0	0	0	107.9	Q652	V650-Q652 PolarHBondContact O-N 3.22Å
651	P	56.7	Low	78	Confident	75 Å²	75	53.7 Å²	53.7	49%	0.487	28%	0.283	S	S	.	.			trans	-64.5	97.7	174.3	23.2	-32	0	0	0	111.2	F690	P651-F690 HydrophobicContact CB-CZ 4.43Å
652	Q	62.4	Low	78	Confident	129 Å²	129	54.1 Å²	54.1	60%	0.603	29%	0.285	S	S	*	.			trans	-115	148.1	168.3	-70.9	177.9	-16.3	0	0	107.9	V650 I654	V650-Q652 PolarHBondContact O-N 3.22Å; Q652-I654 PolarHBondContact O-N 3.46Å
653	N	66.4	Low	77.9	Confident	112 Å²	112	57.5 Å²	57.5	60%	0.599	30%	0.299	S	S	*	.			trans	-67.5	86.4	169.9	-174.1	15.8	0	0	0	108.4	F690	N653-F690 HydrophobicContact CB-CD1 3.9Å; N653-F690 HydrophobicContact CB-CE1 4.27Å; N653-F690 HydrophobicContact CB-CG 4.28Å; N653-F690 WeakPolarHBondContact OD1-CB 3.22Å
654	I	68.1	Low	78	Confident	16 Å²	16	57 Å²	57	8%	0.082	29%	0.292	C	S	.	.			trans	-72.8	132.6	170.6	47.9	161.9	0	0	0	107.4	V644 T648 Q652 I656 W752	V644-I654 HydrophobicContact CB-CD1 4.39Å; V644-I654 HydrophobicContact CG1-CD1 3.45Å; V644-I654 VanDerWaalsContact CG1-CD1 3.45Å; V644-I654 HydrophobicContact CG2-CD1 4.02Å; T648-I654 HydrophobicContact CG2-CD1 3.93Å; T648-I654 HydrophobicContact CG2-CG2 3.87Å; Q652-I654 PolarHBondContact O-N 3.46Å; I654-I656 HydrophobicContact CD1-CB 4.5Å; I654-I656 PolarHBondContact O-N 2.86Å; I654-W752 HydrophobicContact CG2-CZ2 4Å
655	C	75	Confident	78.1	Confident	31 Å²	31	57 Å²	57	21%	0.209	29%	0.292	C	S	.	.	S	Bend	trans	-67.8	41.1	-179.4	-62.4	0	0	0	0	113.7	Q725	C655-Q725 WeakPolarHBondContact O-CB 3.45Å; C655-Q725 VanDerWaalsContact O-CD 3.27Å; C655-Q725 PolarHBondContact O-OE1 2.85Å; C655-Q725 VanDerWaalsContact O-OE1 3.12Å
656	I	85.3	Confident	78.3	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.041	30%	0.298	C	S	.	.	S	Bend	trans	-133.5	126.1	-180	-61.5	-176.6	0	0	0	108	V640 V644 I654 T658 L661 W752 L756	V640-I656 HydrophobicContact CG1-CD1 4.04Å; V640-I656 HydrophobicContact CG1-CG2 3.98Å; V644-I656 HydrophobicContact CG2-CB 4.45Å; V644-I656 HydrophobicContact CG2-CD1 3.63Å; V644-I656 HydrophobicContact CG2-CG2 4.18Å; I654-I656 HydrophobicContact CD1-CB 4.5Å; I654-I656 PolarHBondContact O-N 2.86Å; I656-T658 PolarHBondContact O-N 3Å; I656-T658 PolarHBondContact O-OG1 3.09Å; I656-L661 HydrophobicContact CG2-CD1 3.88Å; I656-W752 HydrophobicContact CD1-CH2 3.66Å; I656-W752 HydrophobicContact CD1-CZ3 3.64Å; I656-L756 HydrophobicContact CD1-CD2 4.06Å
657	P	87.7	Confident	78.3	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.078	30%	0.296	C	S	.	.			trans	-74.7	64.9	-177.8	30.3	-34.4	0	0	0	112.3	C659 G660 L661 E692 F703 S723	P657-C659 PolarHBondContact O-N 2.97Å; P657-G660 PolarHBondContact O-N 3.32Å; P657-G660 VanDerWaalsContact O-N 3.08Å; P657-L661 HydrophobicContact CG-CG 4.42Å; P657-L661 WeakPolarHBondContact O-CG 3.45Å; P657-L661 PolarHBondContact O-N 2.88Å; P657-E692 WeakPolarHBondContact CB-OE1 3.39Å; P657-E692 WeakPolarHBondContact CD-OE1 3.42Å; P657-F703 HydrophobicContact CB-CD2 3.83Å; P657-F703 HydrophobicContact CB-CE2 4.26Å; P657-F703 HydrophobicContact CG-CD2 3.73Å; P657-F703 HydrophobicContact CG-CE2 3.64Å; P657-S723 WeakPolarHBondContact CD-O 3.36Å
658	T	87.3	Confident	78.3	Confident	10 Å²	10	57 Å²	57	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-45.3	-168.3	-55.3	0	0	0	0	112.6	L641 V644 I656 L661 M662 I681 L685	L641-T658 HydrophobicContact CD2-CG2 3.72Å; V644-T658 HydrophobicContact CG1-CG2 4.36Å; I656-T658 PolarHBondContact O-N 3Å; I656-T658 PolarHBondContact O-OG1 3.09Å; T658-L661 PolarHBondContact O-N 3.34Å; T658-M662 HydrophobicContact CG2-CE 4.35Å; T658-M662 WeakPolarHBondContact O-CG 3.46Å; T658-M662 PolarHBondContact O-N 2.8Å; T658-I681 HydrophobicContact CG2-CG2 3.96Å; T658-L685 HydrophobicContact CG2-CD1 3.84Å
659	C	84.8	Confident	78.2	Confident	39 Å²	39	60.4 Å²	60.4	26%	0.264	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-44.9	176.4	-60.2	0	0	0	0	111.9	P657 L661 M662 D663	P657-C659 PolarHBondContact O-N 2.97Å; C659-L661 VanDerWaalsContact C-N 3.33Å; C659-L661 PolarHBondContact O-N 3.42Å; C659-M662 PolarHBondContact O-N 3Å; C659-D663 VanDerWaalsContact O-CG 3.27Å; C659-D663 PolarHBondContact O-N 3.4Å
660	G	85.9	Confident	79	Confident	13 Å²	13	56.6 Å²	56.6	13%	0.134	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-39.6	177.9	0	0	0	0	0	113.2	P657 D663 Y664 F703	P657-G660 PolarHBondContact O-N 3.32Å; P657-G660 VanDerWaalsContact O-N 3.08Å; G660-D663 PolarHBondContact O-N 2.93Å; G660-Y664 VanDerWaalsContact O-CB 3.29Å; G660-Y664 WeakPolarHBondContact O-CB 3.31Å; G660-Y664 PolarHBondContact O-N 2.91Å; G660-F703 VanDerWaalsContact CA-CB 3.47Å; G660-F703 WeakPolarHBondContact O-CD1 3.18Å
661	L	88.8	Confident	80.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-43.8	175.1	-68.4	178.7	0	0	0	112.4	M637 V640 L641 I656 P657 T658 C659 Y664 L665 F703 Y724	M637-L661 HydrophobicContact CB-CD2 4.47Å; M637-L661 HydrophobicContact CE-CD2 4.14Å; M637-L661 HydrophobicContact CG-CD2 3.81Å; M637-L661 HydrophobicContact SD-CD2 3.86Å; V640-L661 HydrophobicContact CG1-CD1 4.38Å; L641-L661 HydrophobicContact CD1-CB 4.21Å; L641-L661 HydrophobicContact CD2-CB 4.06Å; L641-L661 HydrophobicContact CD2-CD1 4.15Å; L641-L661 HydrophobicContact CG-CB 4.28Å; L641-L661 HydrophobicContact CG-CD1 4.4Å; I656-L661 HydrophobicContact CG2-CD1 3.88Å; P657-L661 HydrophobicContact CG-CG 4.42Å; P657-L661 WeakPolarHBondContact O-CG 3.45Å; P657-L661 PolarHBondContact O-N 2.88Å; T658-L661 PolarHBondContact O-N 3.34Å; C659-L661 VanDerWaalsContact C-N 3.33Å; C659-L661 PolarHBondContact O-N 3.42Å; L661-Y664 PolarHBondContact O-N 3.14Å; L661-L665 WeakPolarHBondContact O-CB 3.4Å; L661-L665 WeakPolarHBondContact O-CG 3.44Å; L661-L665 PolarHBondContact O-N 2.82Å; L661-F703 HydrophobicContact CD2-CE1 4.07Å; L661-F703 HydrophobicContact CD2-CE2 3.96Å; L661-F703 HydrophobicContact CD2-CZ 3.5Å; L661-F703 VanDerWaalsContact CD2-CZ 3.5Å; L661-F703 HydrophobicContact CG-CZ 4.45Å; L661-Y724 HydrophobicContact CD1-CD2 4.05Å; L661-Y724 HydrophobicContact CD2-CD1 4.38Å; L661-Y724 HydrophobicContact CD2-CD2 3.75Å; L661-Y724 HydrophobicContact CD2-CE2 4.4Å; L661-Y724 HydrophobicContact CD2-CG 3.73Å
662	M	88.4	Confident	81.5	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.039	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-48.2	175.9	-68.2	-172.1	-66.3	0	0	111	L641 T658 C659 Y664 L665 S666 I678 I681 L685	L641-M662 HydrophobicContact CD1-CG 4.2Å; L641-M662 HydrophobicContact CD2-CG 4.45Å; T658-M662 HydrophobicContact CG2-CE 4.35Å; T658-M662 WeakPolarHBondContact O-CG 3.46Å; T658-M662 PolarHBondContact O-N 2.8Å; C659-M662 PolarHBondContact O-N 3Å; M662-Y664 VanDerWaalsContact C-N 3.3Å; M662-Y664 PolarHBondContact O-N 3.31Å; M662-L665 PolarHBondContact O-N 3.32Å; M662-S666 WeakPolarHBondContact O-CB 3.45Å; M662-S666 PolarHBondContact O-N 3.39Å; M662-S666 PolarHBondContact O-OG 3.26Å; M662-S666 VanDerWaalsContact O-OG 3.11Å; M662-I678 HydrophobicContact CB-CD1 4.44Å; M662-I678 HydrophobicContact CB-CG1 4.07Å; M662-I678 HydrophobicContact CB-CG2 4.12Å; M662-I678 HydrophobicContact CG-CG1 3.99Å; M662-I678 HydrophobicContact CG-CG2 4.23Å; M662-I678 HydrophobicContact SD-CG2 4.04Å; M662-I681 HydrophobicContact CE-CG2 4.35Å; M662-I681 HydrophobicContact SD-CB 4Å; M662-I681 HydrophobicContact SD-CG2 3.64Å; M662-L685 HydrophobicContact CE-CD1 4.05Å
663	D	87.4	Confident	82.4	Confident	91 Å²	91	56.5 Å²	56.5	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-35.8	-179.7	-65.8	-20.5	0	0	0	111.9	C659 G660	C659-D663 VanDerWaalsContact O-CG 3.27Å; C659-D663 PolarHBondContact O-N 3.4Å; G660-D663 PolarHBondContact O-N 2.93Å
664	Y	87.8	Confident	83.3	Confident	35 Å²	35	51.3 Å²	51.3	14%	0.137	27%	0.271	C	S	.	.	H	α-helix	trans	-67.5	-44.5	175.2	-173.1	-92.1	0	0	0	112.1	M637 G660 L661 M662 R667 F703	M637-Y664 HydrophobicContact CE-CD1 3.84Å; M637-Y664 HydrophobicContact CE-CE1 3.85Å; M637-Y664 HydrophobicContact SD-CD1 3.57Å; M637-Y664 VanDerWaalsContact SD-CD1 3.57Å; M637-Y664 HydrophobicContact SD-CE1 3.98Å; M637-Y664 HydrophobicContact SD-CG 4.5Å; G660-Y664 VanDerWaalsContact O-CB 3.29Å; G660-Y664 WeakPolarHBondContact O-CB 3.31Å; G660-Y664 PolarHBondContact O-N 2.91Å; L661-Y664 PolarHBondContact O-N 3.14Å; M662-Y664 VanDerWaalsContact C-N 3.3Å; M662-Y664 PolarHBondContact O-N 3.31Å; Y664-R667 WeakPolarHBondContact O-CB 3.48Å; Y664-R667 PolarHBondContact O-N 2.85Å; Y664-F703 HydrophobicContact CD2-CD1 4.49Å; Y664-F703 HydrophobicContact CD2-CE1 4.19Å; Y664-F703 HydrophobicContact CG-CE1 4.08Å
665	L	88.8	Confident	84.2	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-36.4	178.1	-74.6	175.5	0	0	0	112.3	R634 M637 K638 L641 L661 M662 R667 D668 I678	R634-L665 HydrophobicContact CB-CD2 4.04Å; R634-L665 HydrophobicContact CG-CD2 4.1Å; R634-L665 PolarHBondContact NH1-O 3.07Å; R634-L665 PolarHBondContact NH2-O 3.26Å; M637-L665 HydrophobicContact CB-CD1 4.04Å; M637-L665 HydrophobicContact CB-CD2 4.16Å; M637-L665 HydrophobicContact CB-CG 4.29Å; M637-L665 HydrophobicContact SD-CD2 4.25Å; M637-L665 HydrophobicContact SD-CG 4.39Å; K638-L665 HydrophobicContact CG-CD1 4.15Å; L641-L665 HydrophobicContact CD1-CD1 3.59Å; L661-L665 WeakPolarHBondContact O-CB 3.4Å; L661-L665 WeakPolarHBondContact O-CG 3.44Å; L661-L665 PolarHBondContact O-N 2.82Å; M662-L665 PolarHBondContact O-N 3.32Å; L665-R667 PolarHBondContact O-N 2.85Å; L665-R667 VanDerWaalsContact O-N 3.16Å; L665-D668 PolarHBondContact O-N 3.39Å; L665-I678 HydrophobicContact CB-CD1 4Å
666	S	86.4	Confident	84.7	Confident	63 Å²	63	58.7 Å²	58.7	44%	0.441	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.2	176.9	-68.8	0	0	0	0	115.3	M662 D668 I678	M662-S666 WeakPolarHBondContact O-CB 3.45Å; M662-S666 PolarHBondContact O-N 3.39Å; M662-S666 PolarHBondContact O-OG 3.26Å; M662-S666 VanDerWaalsContact O-OG 3.11Å; S666-D668 PolarHBondContact O-N 2.87Å; S666-I678 WeakPolarHBondContact OG-CD1 3.07Å
667	R	85.1	Confident	84.8	Confident	156 Å²	156	59.9 Å²	59.9	59%	0.589	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.1	175.5	-65.4	-179.9	-177.5	173.1	2.5	113.4	Y664 L665 P669	Y664-R667 WeakPolarHBondContact O-CB 3.48Å; Y664-R667 PolarHBondContact O-N 2.85Å; L665-R667 PolarHBondContact O-N 2.85Å; L665-R667 VanDerWaalsContact O-N 3.16Å; R667-P669 WeakPolarHBondContact O-CD 3.44Å
668	D	80	Confident	84.7	Confident	57 Å²	57	59.7 Å²	59.7	31%	0.305	31%	0.313	S	S	.	.			trans	-107.2	102.2	178.6	-174.7	-4	0	0	0	109	R634 L665 S666 D670 D671	R634-D668 VanDerWaalsContact CZ-CB 3.49Å; R634-D668 IonicContact CZ-OD2 3.77Å; R634-D668 IonicContact NE-OD2 3.63Å; R634-D668 VanDerWaalsContact NH2-CB 3.3Å; R634-D668 IonicContact NH2-OD2 3.63Å; L665-D668 PolarHBondContact O-N 3.39Å; S666-D668 PolarHBondContact O-N 2.87Å; D668-D670 PolarHBondContact O-N 3.47Å; D668-D670 PolarHBondContact OD1-N 3.37Å; D668-D671 HydrophobicContact CB-CB 4.48Å
669	P	72.4	Confident	84.6	Confident	92 Å²	92	60.7 Å²	60.7	60%	0.597	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.2	-175.7	30	-34.6	0	0	0	113.4	R667 D671	R667-P669 WeakPolarHBondContact O-CD 3.44Å; P669-D671 VanDerWaalsContact C-N 3.34Å
670	D	77.8	Confident	84.7	Confident	145 Å²	145	63 Å²	63	78%	0.775	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.5	-176.5	-66.6	-40.1	0	0	0	112.8	D668 K672	D668-D670 PolarHBondContact O-N 3.47Å; D668-D670 PolarHBondContact OD1-N 3.37Å; D670-K672 PolarHBondContact O-N 3.1Å
671	D	82.4	Confident	84.6	Confident	18 Å²	18	62.5 Å²	62.5	10%	0.096	33%	0.326	C	S	.	.			trans	-93.4	76.2	-175.4	-171.3	-4.3	0	0	0	113	R634 K638 D668 P669 D673 S674 E675	R634-D671 IonicContact CZ-OD2 3.71Å; R634-D671 IonicContact NH2-OD2 2.85Å; R634-D671 PolarHBondContact NH2-OD2 3.41Å; K638-D671 WeakPolarHBondContact CE-OD2 3.42Å; K638-D671 IonicContact NZ-OD1 3.51Å; K638-D671 PolarHBondContact NZ-OD1 2.62Å; K638-D671 IonicContact NZ-OD2 3.76Å; K638-D671 PolarHBondContact NZ-OD2 2.9Å; D668-D671 HydrophobicContact CB-CB 4.48Å; P669-D671 VanDerWaalsContact C-N 3.34Å; D671-D673 PolarHBondContact O-N 3.35Å; D671-S674 WeakPolarHBondContact O-CB 3.41Å; D671-S674 PolarHBondContact O-N 3.23Å; D671-S674 VanDerWaalsContact O-N 3.11Å; D671-S674 PolarHBondContact OD1-N 3.07Å; D671-S674 PolarHBondContact OD1-OG 3.05Å; D671-S674 WeakPolarHBondContact OD2-CB 3.36Å; D671-S674 PolarHBondContact OD2-OG 3.18Å; D671-E675 PolarHBondContact O-N 2.75Å
672	K	82.8	Confident	84.3	Confident	158 Å²	158	69.2 Å²	69.2	69%	0.687	35%	0.352	S	S	*	.	H	α-helix	trans	-55.4	-34.8	-178.9	-67.8	-177.9	-179.9	174.8	0	114.1	D670 S674 E675 V676	D670-K672 PolarHBondContact O-N 3.1Å; K672-S674 VanDerWaalsContact C-N 3.35Å; K672-E675 PolarHBondContact O-N 3.02Å; K672-V676 WeakPolarHBondContact O-CG2 3.26Å; K672-V676 PolarHBondContact O-N 3.09Å; K672-V676 VanDerWaalsContact O-N 3.11Å
673	D	82.1	Confident	84	Confident	122 Å²	122	76.6 Å²	76.6	65%	0.652	38%	0.384	S	S	*	.	H	α-helix	trans	-66	-40.9	-179.9	-69.4	-21.6	0	0	0	111.1	D671 L677	D671-D673 PolarHBondContact O-N 3.35Å; D673-L677 WeakPolarHBondContact O-CB 3.21Å; D673-L677 PolarHBondContact O-N 2.89Å; D673-L677 VanDerWaalsContact O-N 3.11Å
674	S	85.6	Confident	83.7	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.014	38%	0.378	C	S	.	.	H	α-helix	trans	-62.8	-44.1	173.3	-71.6	0	0	0	0	111.3	K638 D671 K672 V676 L677 I678	K638-S674 WeakPolarHBondContact CD-OG 3.33Å; K638-S674 WeakPolarHBondContact CE-OG 3.41Å; D671-S674 WeakPolarHBondContact O-CB 3.41Å; D671-S674 PolarHBondContact O-N 3.23Å; D671-S674 VanDerWaalsContact O-N 3.11Å; D671-S674 PolarHBondContact OD1-N 3.07Å; D671-S674 PolarHBondContact OD1-OG 3.05Å; D671-S674 WeakPolarHBondContact OD2-CB 3.36Å; D671-S674 PolarHBondContact OD2-OG 3.18Å; K672-S674 VanDerWaalsContact C-N 3.35Å; S674-V676 PolarHBondContact O-N 2.87Å; S674-L677 PolarHBondContact O-N 2.83Å; S674-I678 VanDerWaalsContact O-CB 3.3Å; S674-I678 WeakPolarHBondContact O-CB 3.09Å; S674-I678 VanDerWaalsContact O-CD1 3.31Å; S674-I678 WeakPolarHBondContact O-CD1 3.47Å; S674-I678 WeakPolarHBondContact O-CG1 3.47Å; S674-I678 PolarHBondContact O-N 2.91Å
675	E	86.2	Confident	83.1	Confident	114 Å²	114	76.2 Å²	76.2	53%	0.533	38%	0.38	S	S	.	.	H	α-helix	trans	-58.5	-45.8	179.2	-67	-166.9	142.9	0	0	112.7	D671 K672 I678 G679	D671-E675 PolarHBondContact O-N 2.75Å; K672-E675 PolarHBondContact O-N 3.02Å; E675-I678 PolarHBondContact O-N 3.49Å; E675-G679 PolarHBondContact O-N 2.94Å
676	V	86.6	Confident	82.4	Confident	89 Å²	89	82.3 Å²	82.3	54%	0.539	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-48.6	178.9	174.2	0	0	0	0	110.5	K672 S674 I678 G679 H680	K672-V676 WeakPolarHBondContact O-CG2 3.26Å; K672-V676 PolarHBondContact O-N 3.09Å; K672-V676 VanDerWaalsContact O-N 3.11Å; S674-V676 PolarHBondContact O-N 2.87Å; V676-I678 PolarHBondContact O-N 2.9Å; V676-G679 PolarHBondContact O-N 2.82Å; V676-H680 PolarHBondContact O-CD2 2.8Å; V676-H680 PolarHBondContact O-N 2.88Å
677	L	86.2	Confident	81.3	Confident	33 Å²	33	88.7 Å²	88.7	17%	0.173	43%	0.432	C	S	.	.	H	α-helix	trans	-60	-45.9	179.1	-178.7	62	0	0	0	111.9	K638 L641 D673 S674 G679 H680 I681	K638-L677 HydrophobicContact CB-CD2 4.22Å; K638-L677 WeakPolarHBondContact O-CD2 3.27Å; L641-L677 HydrophobicContact CB-CD2 3.81Å; L641-L677 HydrophobicContact CB-CG 4.43Å; D673-L677 WeakPolarHBondContact O-CB 3.21Å; D673-L677 PolarHBondContact O-N 2.89Å; D673-L677 VanDerWaalsContact O-N 3.11Å; S674-L677 PolarHBondContact O-N 2.83Å; L677-G679 VanDerWaalsContact C-N 3.32Å; L677-G679 PolarHBondContact O-N 2.74Å; L677-H680 PolarHBondContact O-N 2.8Å; L677-I681 HydrophobicContact CD1-CD1 3.93Å; L677-I681 HydrophobicContact CD1-CG1 4.39Å; L677-I681 HydrophobicContact CG-CD1 3.89Å; L677-I681 WeakPolarHBondContact O-CG1 3.05Å; L677-I681 PolarHBondContact O-N 2.89Å
678	I	86.2	Confident	80.4	Confident	7 Å²	7	85.4 Å²	85.4	4%	0.036	42%	0.423	C	S	.	.	H	α-helix	trans	-60.7	-43.2	177.1	-68.9	165.5	0	0	0	110.4	M662 L665 S666 S674 E675 V676 H680 I681 R682	M662-I678 HydrophobicContact CB-CD1 4.44Å; M662-I678 HydrophobicContact CB-CG1 4.07Å; M662-I678 HydrophobicContact CB-CG2 4.12Å; M662-I678 HydrophobicContact CG-CG1 3.99Å; M662-I678 HydrophobicContact CG-CG2 4.23Å; M662-I678 HydrophobicContact SD-CG2 4.04Å; L665-I678 HydrophobicContact CB-CD1 4Å; S666-I678 WeakPolarHBondContact OG-CD1 3.07Å; S674-I678 VanDerWaalsContact O-CB 3.3Å; S674-I678 WeakPolarHBondContact O-CB 3.09Å; S674-I678 VanDerWaalsContact O-CD1 3.31Å; S674-I678 WeakPolarHBondContact O-CD1 3.47Å; S674-I678 WeakPolarHBondContact O-CG1 3.47Å; S674-I678 PolarHBondContact O-N 2.91Å; E675-I678 PolarHBondContact O-N 3.49Å; V676-I678 PolarHBondContact O-N 2.9Å; I678-H680 VanDerWaalsContact C-N 3.34Å; I678-H680 PolarHBondContact O-N 2.94Å; I678-I681 PolarHBondContact O-N 2.95Å; I678-R682 VanDerWaalsContact O-CB 3.26Å; I678-R682 WeakPolarHBondContact O-CB 3.21Å; I678-R682 PolarHBondContact O-N 3.46Å
679	G	84.9	Confident	79.9	Confident	32 Å²	32	87.5 Å²	87.5	33%	0.33	44%	0.438	S	S	.	.	H	α-helix	trans	-58.4	-43.1	176.4	0	0	0	0	0	113	E675 V676 L677 K683	E675-G679 PolarHBondContact O-N 2.94Å; V676-G679 PolarHBondContact O-N 2.82Å; L677-G679 VanDerWaalsContact C-N 3.32Å; L677-G679 PolarHBondContact O-N 2.74Å; G679-K683 WeakPolarHBondContact O-CG 3.21Å; G679-K683 PolarHBondContact O-N 2.91Å
680	H	86.4	Confident	80	Confident	86 Å²	86	86.8 Å²	86.8	40%	0.398	43%	0.426	S	S	.	.	H	α-helix	trans	-67.2	-44.2	176.7	-73.4	-65.3	0	0	0	112.7	Y645 V676 L677 I678 K683 K684	Y645-H680 HydrophobicContact CD2-CB 4.42Å; Y645-H680 HydrophobicContact CE2-CB 3.86Å; V676-H680 PolarHBondContact O-CD2 2.8Å; V676-H680 PolarHBondContact O-N 2.88Å; L677-H680 PolarHBondContact O-N 2.8Å; I678-H680 VanDerWaalsContact C-N 3.34Å; I678-H680 PolarHBondContact O-N 2.94Å; H680-K683 PolarHBondContact O-N 3.02Å; H680-K684 PolarHBondContact O-N 3.17Å
681	I	83.8	Confident	80	Confident	4 Å²	4	83.8 Å²	83.8	2%	0.021	41%	0.414	C	S	.	.	H	α-helix	trans	-67.7	-43.2	-179.4	-67.7	171.3	0	0	0	111.2	L641 Y645 T658 M662 L677 I678 K683 K684 L685	L641-I681 HydrophobicContact CB-CD1 3.67Å; L641-I681 HydrophobicContact CD1-CD1 4.49Å; L641-I681 HydrophobicContact CD2-CD1 4.12Å; L641-I681 HydrophobicContact CG-CD1 4.32Å; L641-I681 WeakPolarHBondContact O-CD1 3.2Å; Y645-I681 HydrophobicContact CD2-CG1 3.85Å; Y645-I681 HydrophobicContact CG-CG1 4.24Å; T658-I681 HydrophobicContact CG2-CG2 3.96Å; M662-I681 HydrophobicContact CE-CG2 4.35Å; M662-I681 HydrophobicContact SD-CB 4Å; M662-I681 HydrophobicContact SD-CG2 3.64Å; L677-I681 HydrophobicContact CD1-CD1 3.93Å; L677-I681 HydrophobicContact CD1-CG1 4.39Å; L677-I681 HydrophobicContact CG-CD1 3.89Å; L677-I681 WeakPolarHBondContact O-CG1 3.05Å; L677-I681 PolarHBondContact O-N 2.89Å; I678-I681 PolarHBondContact O-N 2.95Å; I681-K683 VanDerWaalsContact C-N 3.29Å; I681-K683 PolarHBondContact O-N 2.67Å; I681-K684 WeakPolarHBondContact O-CA 3.47Å; I681-K684 WeakPolarHBondContact O-CB 3.45Å; I681-K684 PolarHBondContact O-N 3.05Å; I681-L685 HydrophobicContact CG2-CD1 3.52Å; I681-L685 HydrophobicContact CG2-CG 4.16Å; I681-L685 PolarHBondContact O-N 2.95Å
682	R	83.3	Confident	80.3	Confident	141 Å²	141	84.3 Å²	84.3	53%	0.532	42%	0.416	S	S	.	.	H	α-helix	trans	-62.3	-36.3	178.9	-170.8	179.4	-83.5	169.5	-5.5	112	I678 K684	I678-R682 VanDerWaalsContact O-CB 3.26Å; I678-R682 WeakPolarHBondContact O-CB 3.21Å; I678-R682 PolarHBondContact O-N 3.46Å; R682-K684 VanDerWaalsContact C-N 3.34Å
683	K	82.8	Confident	80.6	Confident	163 Å²	163	83.5 Å²	83.5	71%	0.709	41%	0.409	S	S	*	.	H	α-helix	trans	-63.9	-38.9	171.3	-75	174.5	-176.6	176.9	0	111.9	G679 H680 I681 N686	G679-K683 WeakPolarHBondContact O-CG 3.21Å; G679-K683 PolarHBondContact O-N 2.91Å; H680-K683 PolarHBondContact O-N 3.02Å; I681-K683 VanDerWaalsContact C-N 3.29Å; I681-K683 PolarHBondContact O-N 2.67Å; K683-N686 PolarHBondContact O-OD1 3.34Å
684	K	81.1	Confident	81	Confident	83 Å²	83	77.7 Å²	77.7	36%	0.361	38%	0.378	S	S	.	.	H	α-helix	trans	-74.5	-35.3	-178.2	-156	176.3	-166.8	-172.9	0	113.3	Y645 T648 H680 I681 R682 N686	Y645-K684 HydrophobicContact CD2-CD 3.84Å; Y645-K684 HydrophobicContact CE2-CB 4.45Å; Y645-K684 HydrophobicContact CE2-CD 3.82Å; Y645-K684 PolarHBondContact O-NZ 2.98Å; T648-K684 WeakPolarHBondContact O-CE 3.44Å; T648-K684 PolarHBondContact O-NZ 3.18Å; H680-K684 PolarHBondContact O-N 3.17Å; I681-K684 WeakPolarHBondContact O-CA 3.47Å; I681-K684 WeakPolarHBondContact O-CB 3.45Å; I681-K684 PolarHBondContact O-N 3.05Å; R682-K684 VanDerWaalsContact C-N 3.34Å; K684-N686 VanDerWaalsContact C-N 3.34Å; K684-N686 PolarHBondContact O-N 3.37Å
685	L	75.1	Confident	81.2	Confident	34 Å²	34	80.4 Å²	80.4	18%	0.178	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.8	-177.4	-75.1	169	0	0	0	114.8	T658 M662 I681 K687 Q688	T658-L685 HydrophobicContact CG2-CD1 3.84Å; M662-L685 HydrophobicContact CE-CD1 4.05Å; I681-L685 HydrophobicContact CG2-CD1 3.52Å; I681-L685 HydrophobicContact CG2-CG 4.16Å; I681-L685 PolarHBondContact O-N 2.95Å; L685-K687 PolarHBondContact O-N 2.67Å; L685-Q688 PolarHBondContact O-N 3.02Å
686	N	72.4	Confident	81.5	Confident	129 Å²	129	80.3 Å²	80.3	69%	0.69	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	39.7	177.7	-74.3	-23	0	0	0	114.7	K683 K684 Q688	K683-N686 PolarHBondContact O-OD1 3.34Å; K684-N686 VanDerWaalsContact C-N 3.34Å; K684-N686 PolarHBondContact O-N 3.37Å; N686-Q688 PolarHBondContact O-N 2.74Å
687	K	64.9	Low	81.7	Confident	198 Å²	198	78 Å²	78	86%	0.861	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	14.1	-178.9	-51.9	179.2	179	178.6	0	116.1	L685	L685-K687 PolarHBondContact O-N 2.67Å
688	Q	66.1	Low	82	Confident	86 Å²	86	81.6 Å²	81.6	40%	0.402	40%	0.402	S	S	.	.			trans	-76	138.6	174.2	-62.8	-168.5	4.1	0	0	111.4	L685 N686 F690	L685-Q688 PolarHBondContact O-N 3.02Å; N686-Q688 PolarHBondContact O-N 2.74Å; Q688-F690 HydrophobicContact CB-CE2 4.36Å
689	T	69	Low	82.2	Confident	101 Å²	101	81.9 Å²	81.9	62%	0.62	41%	0.406	S	S	*	.			trans	-125.5	130.6	178.6	56.6	0	0	0	0	109.9	P691	T689-P691 WeakPolarHBondContact O-CD 3.24Å
690	F	74.6	Confident	82.5	Confident	78 Å²	78	82.9 Å²	82.9	34%	0.342	41%	0.406	S	S	.	.			trans	-114.1	92.7	176	-61.1	-77.2	0	0	0	108.3	P651 N653 Q688	P651-F690 HydrophobicContact CB-CZ 4.43Å; N653-F690 HydrophobicContact CB-CD1 3.9Å; N653-F690 HydrophobicContact CB-CE1 4.27Å; N653-F690 HydrophobicContact CB-CG 4.28Å; N653-F690 WeakPolarHBondContact OD1-CB 3.22Å; Q688-F690 HydrophobicContact CB-CE2 4.36Å
691	P	78.5	Confident	82.6	Confident	81 Å²	81	79.2 Å²	79.2	53%	0.526	39%	0.389	S	S	.	.			trans	-70.6	133.4	-179.2	27.4	-32.6	0	0	0	110.7	T689	T689-P691 WeakPolarHBondContact O-CD 3.24Å
692	E	87.4	Confident	82.8	Confident	29 Å²	29	81.8 Å²	81.8	14%	0.136	41%	0.407	C	S	.	.			trans	-64.8	137.9	166.4	-77	-179.9	-178.2	0	0	109.4	P657 P700 L701 R719 Q725 A726	P657-E692 WeakPolarHBondContact CB-OE1 3.39Å; P657-E692 WeakPolarHBondContact CD-OE1 3.42Å; E692-P700 CarbonylContact O-C 3.53Å; E692-P700 WeakPolarHBondContact O-CA 3.36Å; E692-L701 HydrophobicContact CB-CB 3.94Å; E692-L701 HydrophobicContact CB-CD1 4.47Å; E692-L701 PolarHBondContact O-N 2.89Å; E692-R719 IonicContact OE1-NH1 3.76Å; E692-R719 IonicContact OE2-CZ 3.84Å; E692-R719 IonicContact OE2-NH1 2.81Å; E692-R719 PolarHBondContact OE2-NH1 3.19Å; E692-R719 IonicContact OE2-NH2 2.78Å; E692-Q725 WeakPolarHBondContact OE1-CA 3.48Å; E692-Q725 WeakPolarHBondContact OE1-CG 3.49Å; E692-A726 PolarHBondContact OE2-N 2.54Å
693	R	89.5	Confident	83	Confident	142 Å²	142	76.3 Å²	76.3	54%	0.536	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-118.7	145.4	177.7	-68.6	-176.5	176.9	-95.9	2.6	110.6	Q698 Q728	R693-Q698 PolarHBondContact NH1-O 2.76Å; R693-Q728 PolarHBondContact O-NE2 2.87Å; R693-Q728 PolarHBondContact O-OE1 2.79Å
694	C	90.9	Very high	83.2	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.377	C	S	.	.			trans	-70	127.8	176	-176.8	0	0	0	0	110.9	L696 C697 Q698 A699 L701 C711 W717 Q728	C694-L696 PolarHBondContact O-N 3.01Å; C694-C697 VanDerWaalsContact SG-SG 3.61Å; C694-Q698 WeakPolarHBondContact O-CA 3.46Å; C694-Q698 PolarHBondContact O-N 3Å; C694-Q698 PolarHBondContact O-NE2 3.14Å; C694-A699 WeakPolarHBondContact CB-O 3.36Å; C694-A699 PolarHBondContact N-O 3.11Å; C694-L701 HydrophobicContact CB-CD1 4.48Å; C694-L701 HydrophobicContact CB-CD2 4.34Å; C694-L701 HydrophobicContact CB-CG 4.25Å; C694-C711 HydrophobicContact CB-CB 4.04Å; C694-W717 PolarHBondContact SG-NE1 3.31Å; C694-Q728 VanDerWaalsContact CA-OE1 3.24Å
695	S	90.3	Very high	83.4	Confident	58 Å²	58	70.9 Å²	70.9	41%	0.406	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.2	179.4	59	0	0	0	0	112.4	Q698 Q728	S695-Q698 PolarHBondContact O-NE2 3.34Å; S695-Q728 PolarHBondContact OG-OE1 3.07Å
696	L	91.1	Very high	84	Confident	113 Å²	113	69.8 Å²	69.8	59%	0.592	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-40.9	-178.1	-64.6	176.3	0	0	0	113.8	C694 H715 W717	C694-L696 PolarHBondContact O-N 3.01Å; L696-H715 HydrophobicContact CD1-CB 4.45Å; L696-W717 HydrophobicContact CD1-CH2 3.73Å; L696-W717 HydrophobicContact CD1-CZ2 3.6Å; L696-W717 HydrophobicContact CG-CH2 3.88Å; L696-W717 HydrophobicContact CG-CZ2 3.71Å
697	C	91.7	Very high	84.7	Confident	39 Å²	39	68.4 Å²	68.4	26%	0.264	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	2.4	-171.3	65.8	0	0	0	0	115.1	C694 A699 N713 H715	C694-C697 VanDerWaalsContact SG-SG 3.61Å; C697-A699 PolarHBondContact O-N 3.43Å; C697-N713 PolarHBondContact SG-ND2 2.87Å; C697-N713 VanDerWaalsContact SG-ND2 3.42Å; C697-H715 PolarHBondContact SG-ND1 2.68Å; C697-H715 VanDerWaalsContact SG-ND1 3.37Å
698	Q	92.1	Very high	86	Confident	110 Å²	110	62.7 Å²	62.7	51%	0.514	33%	0.332	S	S	.	.			trans	61	0.7	177.3	-57.7	-60.6	-39.4	0	0	116.2	R693 C694 S695	R693-Q698 PolarHBondContact NH1-O 2.76Å; C694-Q698 WeakPolarHBondContact O-CA 3.46Å; C694-Q698 PolarHBondContact O-N 3Å; C694-Q698 PolarHBondContact O-NE2 3.14Å; S695-Q698 PolarHBondContact O-NE2 3.34Å
699	A	91.3	Very high	87.2	Confident	13 Å²	13	58.6 Å²	58.6	11%	0.107	31%	0.312	C	S	.	.			trans	-61.6	148.6	170.8	0	0	0	0	0	111	C694 C697 C711	C694-A699 WeakPolarHBondContact CB-O 3.36Å; C694-A699 PolarHBondContact N-O 3.11Å; C697-A699 PolarHBondContact O-N 3.43Å; A699-C711 HydrophobicContact CB-CB 4.28Å
700	P	89.6	Confident	88.4	Confident	52 Å²	52	56.6 Å²	56.6	34%	0.338	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-62.5	143.7	178.1	27.1	-33.7	0	0	0	111.3	E692 P702	E692-P700 CarbonylContact O-C 3.53Å; E692-P700 WeakPolarHBondContact O-CA 3.36Å; P700-P702 WeakPolarHBondContact O-CD 3.37Å
701	L	89.5	Confident	89.2	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.047	29%	0.286	C	S	.	.			trans	-103	96.1	172.1	-72.9	171.2	0	0	0	108.7	E692 C694 A709 C711 A726	E692-L701 HydrophobicContact CB-CB 3.94Å; E692-L701 HydrophobicContact CB-CD1 4.47Å; E692-L701 PolarHBondContact O-N 2.89Å; C694-L701 HydrophobicContact CB-CD1 4.48Å; C694-L701 HydrophobicContact CB-CD2 4.34Å; C694-L701 HydrophobicContact CB-CG 4.25Å; L701-A709 HydrophobicContact CD2-CB 4.2Å; L701-C711 HydrophobicContact CD2-CB 3.68Å; L701-A726 HydrophobicContact CD1-CB 3.93Å
702	P	87.8	Confident	89.8	Confident	59 Å²	59	56.7 Å²	56.7	38%	0.383	30%	0.295	S	S	.	.			trans	-66.5	150.1	178.6	29.3	-35.2	0	0	0	111.2	P700 T704 R719	P700-P702 WeakPolarHBondContact O-CD 3.37Å; P702-T704 HydrophobicContact CB-CG2 4.2Å; P702-T704 HydrophobicContact CG-CG2 4.31Å; P702-T704 PolarHBondContact O-N 2.91Å; P702-R719 PolarHBondContact O-NH2 2.89Å
703	F	88.3	Confident	90	Very high	26 Å²	26	60.4 Å²	60.4	11%	0.114	32%	0.316	C	S	.	.			trans	-89.2	77.9	173.6	-159.5	-81.8	0	0	0	109.9	M637 P657 G660 L661 Y664 C706	M637-F703 HydrophobicContact CE-CZ 4.38Å; P657-F703 HydrophobicContact CB-CD2 3.83Å; P657-F703 HydrophobicContact CB-CE2 4.26Å; P657-F703 HydrophobicContact CG-CD2 3.73Å; P657-F703 HydrophobicContact CG-CE2 3.64Å; G660-F703 VanDerWaalsContact CA-CB 3.47Å; G660-F703 WeakPolarHBondContact O-CD1 3.18Å; L661-F703 HydrophobicContact CD2-CE1 4.07Å; L661-F703 HydrophobicContact CD2-CE2 3.96Å; L661-F703 HydrophobicContact CD2-CZ 3.5Å; L661-F703 VanDerWaalsContact CD2-CZ 3.5Å; L661-F703 HydrophobicContact CG-CZ 4.45Å; Y664-F703 HydrophobicContact CD2-CD1 4.49Å; Y664-F703 HydrophobicContact CD2-CE1 4.19Å; Y664-F703 HydrophobicContact CG-CE1 4.08Å; F703-C706 HydrophobicContact CZ-CB 4.34Å
704	T	85.5	Confident	90.1	Very high	81 Å²	81	56.1 Å²	56.1	50%	0.497	32%	0.316	S	S	.	.			trans	-93.7	-35.4	178.1	48.2	0	0	0	0	112.6	P702	P702-T704 HydrophobicContact CB-CG2 4.2Å; P702-T704 HydrophobicContact CG-CG2 4.31Å; P702-T704 PolarHBondContact O-N 2.91Å
705	D	86.6	Confident	90.1	Very high	51 Å²	51	59.3 Å²	59.3	27%	0.273	33%	0.331	S	S	.	.			trans	-130.5	145.2	-177.1	-172.6	-31.4	0	0	0	109.4	K707 Q708 R719	D705-K707 PolarHBondContact OD1-N 2.86Å; D705-Q708 HydrophobicContact CB-CG 3.98Å; D705-Q708 VanDerWaalsContact O-O 3.1Å; D705-Q708 WeakPolarHBondContact OD2-CG 3.3Å; D705-Q708 PolarHBondContact OD2-NE2 3.31Å; D705-R719 VanDerWaalsContact O-CD 3.24Å; D705-R719 WeakPolarHBondContact O-CD 3.47Å; D705-R719 PolarHBondContact O-NE 3.16Å
706	C	86.6	Confident	90.1	Very high	11 Å²	11	62 Å²	62	7%	0.074	34%	0.338	C	S	.	.	S	Bend	trans	-84.4	-15.9	-179.6	63.2	0	0	0	0	113.9	M633 M637 F703 R719 Y724	M633-C706 HydrophobicContact CE-CB 3.81Å; M633-C706 WeakPolarHBondContact CE-SG 3.44Å; M637-C706 HydrophobicContact CE-CB 3.34Å; F703-C706 HydrophobicContact CZ-CB 4.34Å; C706-R719 WeakPolarHBondContact O-CB 3.49Å; C706-Y724 HydrophobicContact CB-CD1 4.44Å; C706-Y724 HydrophobicContact CB-CE1 4.49Å
707	K	88.1	Confident	90.2	Very high	100 Å²	100	58.7 Å²	58.7	44%	0.435	32%	0.318	S	S	.	.	S	Bend	trans	-100.4	-27.4	179.9	-65.3	-177.1	-179.8	179.2	0	113.3	E629 M633 D705 R719	E629-K707 IonicContact OE2-NZ 3.57Å; E629-K707 PolarHBondContact OE2-NZ 2.79Å; M633-K707 HydrophobicContact CE-CG 4.42Å; D705-K707 PolarHBondContact OD1-N 2.86Å; K707-R719 PolarHBondContact O-N 3.05Å
708	Q	91.7	Very high	90.2	Very high	77 Å²	77	60.6 Å²	60.6	36%	0.36	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.4	-175.8	58.7	-178.1	0.9	0	0	111.8	D705 W717 R719	D705-Q708 HydrophobicContact CB-CG 3.98Å; D705-Q708 VanDerWaalsContact O-O 3.1Å; D705-Q708 WeakPolarHBondContact OD2-CG 3.3Å; D705-Q708 PolarHBondContact OD2-NE2 3.31Å; Q708-W717 CarbonylContact C-O 3.59Å; Q708-W717 VanDerWaalsContact CA-O 3.27Å; Q708-W717 WeakPolarHBondContact CA-O 3.47Å; Q708-R719 PolarHBondContact O-NE 3.06Å
709	A	91.6	Very high	90.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.5	175.2	0	0	0	0	0	108.4	L701 M716 W717 R719 A726	L701-A709 HydrophobicContact CD2-CB 4.2Å; A709-M716 CarbonylContact O-C 3.57Å; A709-M716 WeakPolarHBondContact O-CA 3.11Å; A709-W717 PolarHBondContact N-O 2.98Å; A709-W717 PolarHBondContact O-N 3.45Å; A709-R719 HydrophobicContact CB-CG 4.35Å; A709-A726 HydrophobicContact CB-CB 4.08Å
710	V	93.1	Very high	90.2	Very high	60 Å²	60	55.1 Å²	55.1	36%	0.364	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.1	177.7	-175.2	0	0	0	0	107.9	H715 M716	V710-H715 WeakPolarHBondContact CA-O 3.33Å; V710-M716 HydrophobicContact CG2-CB 4.17Å; V710-M716 HydrophobicContact CG2-CG 4.04Å
711	C	92.6	Very high	90.4	Very high	5 Å²	5	53 Å²	53	3%	0.034	28%	0.283	C	S	.	.			trans	-79.7	165.6	174.3	77.4	0	0	0	0	111.1	C694 A699 L701 N713 G714 H715	C694-C711 HydrophobicContact CB-CB 4.04Å; A699-C711 HydrophobicContact CB-CB 4.28Å; L701-C711 HydrophobicContact CD2-CB 3.68Å; C711-N713 PolarHBondContact O-N 3.12Å; C711-N713 VanDerWaalsContact O-N 3.07Å; C711-N713 PolarHBondContact SG-N 2.98Å; C711-G714 PolarHBondContact O-N 3.18Å; C711-H715 PolarHBondContact N-O 3.49Å; C711-H715 VanDerWaalsContact SG-CB 3.58Å; C711-H715 PolarHBondContact SG-N 2.91Å; C711-H715 VanDerWaalsContact SG-N 3.37Å
712	E	91.3	Very high	90.5	Very high	155 Å²	155	52.7 Å²	52.7	72%	0.724	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26	178.4	-64.5	174.5	178	0	0	113.4	G714	E712-G714 VanDerWaalsContact C-N 3.32Å
713	N	90.5	Very high	90.7	Very high	108 Å²	108	50 Å²	50	58%	0.578	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	6.9	176.7	-64.4	-38.8	0	0	0	113.7	C697 C711	C697-N713 PolarHBondContact SG-ND2 2.87Å; C697-N713 VanDerWaalsContact SG-ND2 3.42Å; C711-N713 PolarHBondContact O-N 3.12Å; C711-N713 VanDerWaalsContact O-N 3.07Å; C711-N713 PolarHBondContact SG-N 2.98Å
714	G	90.9	Very high	90.9	Very high	52 Å²	52	48.7 Å²	48.7	54%	0.536	26%	0.258	S	S	.	.			trans	84.7	3.7	174.4	0	0	0	0	0	116.4	C711 E712 M716	C711-G714 PolarHBondContact O-N 3.18Å; E712-G714 VanDerWaalsContact C-N 3.32Å; G714-M716 PolarHBondContact O-N 2.81Å
715	H	91.6	Very high	91.1	Very high	66 Å²	66	46.2 Å²	46.2	31%	0.306	24%	0.241	S	C	.	.			trans	-70.7	126.4	172.4	-57.3	137.5	0	0	0	110.5	L696 C697 V710 C711	L696-H715 HydrophobicContact CD1-CB 4.45Å; C697-H715 PolarHBondContact SG-ND1 2.68Å; C697-H715 VanDerWaalsContact SG-ND1 3.37Å; V710-H715 WeakPolarHBondContact CA-O 3.33Å; C711-H715 PolarHBondContact N-O 3.49Å; C711-H715 VanDerWaalsContact SG-CB 3.58Å; C711-H715 PolarHBondContact SG-N 2.91Å; C711-H715 VanDerWaalsContact SG-N 3.37Å
716	M	91.6	Very high	91.4	Very high	115 Å²	115	44 Å²	44	57%	0.567	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.8	-177.3	-180	-110.5	-72.1	0	0	111.2	A709 V710 G714	A709-M716 CarbonylContact O-C 3.57Å; A709-M716 WeakPolarHBondContact O-CA 3.11Å; V710-M716 HydrophobicContact CG2-CB 4.17Å; V710-M716 HydrophobicContact CG2-CG 4.04Å; G714-M716 PolarHBondContact O-N 2.81Å
717	W	91.4	Very high	91.6	Very high	43 Å²	43	43.8 Å²	43.8	16%	0.163	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.9	177.7	-51.8	101.9	0	0	0	109.7	C694 L696 Q708 A709 A726 Q728	C694-W717 PolarHBondContact SG-NE1 3.31Å; L696-W717 HydrophobicContact CD1-CH2 3.73Å; L696-W717 HydrophobicContact CD1-CZ2 3.6Å; L696-W717 HydrophobicContact CG-CH2 3.88Å; L696-W717 HydrophobicContact CG-CZ2 3.71Å; Q708-W717 CarbonylContact C-O 3.59Å; Q708-W717 VanDerWaalsContact CA-O 3.27Å; Q708-W717 WeakPolarHBondContact CA-O 3.47Å; A709-W717 PolarHBondContact N-O 2.98Å; A709-W717 PolarHBondContact O-N 3.45Å; W717-A726 HydrophobicContact CB-CB 4.17Å; W717-Q728 HydrophobicContact CD2-CB 4.38Å; W717-Q728 HydrophobicContact CD2-CG 3.96Å; W717-Q728 HydrophobicContact CE3-CB 4.3Å; W717-Q728 HydrophobicContact CE3-CG 4.33Å; W717-Q728 HydrophobicContact CG-CG 4.06Å; W717-Q728 HydrophobicContact CZ3-CB 4.47Å
718	L	91.6	Very high	91.6	Very high	80 Å²	80	41.3 Å²	41.3	42%	0.419	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	145.3	169.5	-67.4	175.8	0	0	0	109.8	C727 I741	L718-C727 WeakPolarHBondContact O-CB 3.16Å; L718-C727 PolarHBondContact O-N 2.96Å; L718-I741 HydrophobicContact CB-CD1 3.25Å; L718-I741 HydrophobicContact CB-CG1 3.97Å; L718-I741 HydrophobicContact CD1-CD1 3.98Å; L718-I741 HydrophobicContact CD1-CG1 4.43Å; L718-I741 HydrophobicContact CD1-CG2 4.32Å; L718-I741 HydrophobicContact CG-CD1 4.27Å
719	R	92.3	Very high	91.2	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.026	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-89.6	141.8	175.4	-72.9	-174.2	176.2	-70.8	-4.5	110.8	E692 P702 D705 C706 K707 Q708 A709 V721 Y724 Q725	E692-R719 IonicContact OE1-NH1 3.76Å; E692-R719 IonicContact OE2-CZ 3.84Å; E692-R719 IonicContact OE2-NH1 2.81Å; E692-R719 PolarHBondContact OE2-NH1 3.19Å; E692-R719 IonicContact OE2-NH2 2.78Å; P702-R719 PolarHBondContact O-NH2 2.89Å; D705-R719 VanDerWaalsContact O-CD 3.24Å; D705-R719 WeakPolarHBondContact O-CD 3.47Å; D705-R719 PolarHBondContact O-NE 3.16Å; C706-R719 WeakPolarHBondContact O-CB 3.49Å; K707-R719 PolarHBondContact O-N 3.05Å; Q708-R719 PolarHBondContact O-NE 3.06Å; A709-R719 HydrophobicContact CB-CG 4.35Å; R719-V721 PolarHBondContact O-N 2.64Å; R719-Y724 VanDerWaalsContact CD-O 3.25Å; R719-Y724 WeakPolarHBondContact CD-O 3.3Å; R719-Y724 WeakPolarHBondContact CG-O 3.34Å; R719-Y724 PolarHBondContact NH1-O 3.34Å; R719-Q725 WeakPolarHBondContact CA-O 3.44Å
720	C	92.9	Very high	90.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-59.9	123.1	170.2	176.4	0	0	0	0	109.3	L722 S723 Y724 Q725 R743	C720-L722 PolarHBondContact O-N 3.36Å; C720-L722 VanDerWaalsContact O-N 3.15Å; C720-S723 VanDerWaalsContact CB-OG 3.31Å; C720-S723 WeakPolarHBondContact CB-OG 3.38Å; C720-S723 PolarHBondContact SG-N 2.88Å; C720-S723 VanDerWaalsContact SG-N 3.37Å; C720-S723 PolarHBondContact SG-OG 3.17Å; C720-Y724 WeakPolarHBondContact O-CA 3.46Å; C720-Y724 PolarHBondContact O-N 3.05Å; C720-Q725 WeakPolarHBondContact CB-O 3.31Å; C720-Q725 PolarHBondContact N-O 3.32Å; C720-R743 HydrophobicContact CB-CB 4.17Å; C720-R743 PolarHBondContact SG-N 3.35Å
721	V	91.9	Very high	90.3	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.055	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.4	-179	81.5	0	0	0	0	112.4	M633 R719 C740 I741 L762 M768	M633-V721 HydrophobicContact SD-CG2 4.23Å; R719-V721 PolarHBondContact O-N 2.64Å; V721-C740 HydrophobicContact CB-CB 3.99Å; V721-C740 HydrophobicContact CG1-CB 3.96Å; V721-C740 HydrophobicContact CG2-CB 3.96Å; V721-I741 WeakPolarHBondContact CB-O 3.24Å; V721-I741 WeakPolarHBondContact CG1-O 3.45Å; V721-I741 PolarHBondContact N-O 3.27Å; V721-L762 HydrophobicContact CB-CD2 4.19Å; V721-L762 HydrophobicContact CG1-CD2 4.44Å; V721-L762 HydrophobicContact CG2-CD2 3.25Å; V721-L762 HydrophobicContact CG2-CG 3.84Å; V721-L762 WeakPolarHBondContact O-CD2 3.48Å; V721-M768 HydrophobicContact CG1-CE 4.01Å
722	L	92.6	Very high	90	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-37.5	-175.8	-58.8	178	0	0	0	113.9	H636 V640 C720 A742 L757 A759 P760 M768	H636-L722 PolarHBondContact NE2-O 3.48Å; V640-L722 VanDerWaalsContact CG2-O 3.31Å; V640-L722 WeakPolarHBondContact CG2-O 3.4Å; C720-L722 PolarHBondContact O-N 3.36Å; C720-L722 VanDerWaalsContact O-N 3.15Å; L722-A742 HydrophobicContact CD1-CB 3.88Å; L722-A742 HydrophobicContact CG-CB 4.21Å; L722-L757 HydrophobicContact CB-CD2 4.48Å; L722-L757 VanDerWaalsContact CD1-O 3.22Å; L722-L757 WeakPolarHBondContact CD1-O 3.5Å; L722-A759 HydrophobicContact CD1-CB 4.3Å; L722-A759 WeakPolarHBondContact CD1-O 3.29Å; L722-A759 HydrophobicContact CD2-CB 4.11Å; L722-P760 WeakPolarHBondContact CD2-O 3.1Å; L722-M768 HydrophobicContact CD1-CG 4.38Å
723	S	91.4	Very high	89.8	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.014	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-11	-177.5	67.5	0	0	0	0	113.7	P657 C720 Q725	P657-S723 WeakPolarHBondContact CD-O 3.36Å; C720-S723 VanDerWaalsContact CB-OG 3.31Å; C720-S723 WeakPolarHBondContact CB-OG 3.38Å; C720-S723 PolarHBondContact SG-N 2.88Å; C720-S723 VanDerWaalsContact SG-N 3.37Å; C720-S723 PolarHBondContact SG-OG 3.17Å; S723-Q725 PolarHBondContact O-N 2.95Å; S723-Q725 PolarHBondContact OG-N 3.49Å
724	Y	92.5	Very high	89.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.25	C	S	.	.			trans	61.5	1.8	-173.4	-55.8	-80.8	0	0	0	115.8	M633 H636 M637 V640 L661 C706 R719 C720	M633-Y724 HydrophobicContact CE-CD1 4.41Å; M633-Y724 HydrophobicContact CE-CE1 3.64Å; M633-Y724 PolarHBondContact O-OH 2.91Å; M633-Y724 HydrophobicContact SD-CE1 4.16Å; H636-Y724 AromaticContact CD2-CE2 3.73Å; H636-Y724 AromaticContact CD2-CZ 3.78Å; H636-Y724 PolarHBondContact CD2-OH 2.86Å; H636-Y724 VanDerWaalsContact CD2-OH 3.25Å; M637-Y724 HydrophobicContact CB-CE2 4.27Å; M637-Y724 HydrophobicContact CE-CD1 3.9Å; M637-Y724 HydrophobicContact CE-CE1 3.51Å; M637-Y724 HydrophobicContact CG-CD2 4.18Å; M637-Y724 HydrophobicContact CG-CE1 3.93Å; M637-Y724 HydrophobicContact CG-CE2 3.49Å; M637-Y724 VanDerWaalsContact CG-CE2 3.49Å; M637-Y724 WeakPolarHBondContact CG-OH 3.46Å; M637-Y724 PolarHBondContact N-OH 2.94Å; V640-Y724 HydrophobicContact CG2-CE2 4.09Å; L661-Y724 HydrophobicContact CD1-CD2 4.05Å; L661-Y724 HydrophobicContact CD2-CD1 4.38Å; L661-Y724 HydrophobicContact CD2-CD2 3.75Å; L661-Y724 HydrophobicContact CD2-CE2 4.4Å; L661-Y724 HydrophobicContact CD2-CG 3.73Å; C706-Y724 HydrophobicContact CB-CD1 4.44Å; C706-Y724 HydrophobicContact CB-CE1 4.49Å; R719-Y724 VanDerWaalsContact CD-O 3.25Å; R719-Y724 WeakPolarHBondContact CD-O 3.3Å; R719-Y724 WeakPolarHBondContact CG-O 3.34Å; R719-Y724 PolarHBondContact NH1-O 3.34Å; C720-Y724 WeakPolarHBondContact O-CA 3.46Å; C720-Y724 PolarHBondContact O-N 3.05Å
725	Q	91.1	Very high	89.3	Confident	29 Å²	29	45.8 Å²	45.8	14%	0.136	23%	0.225	C	C	.	.			trans	-66.6	142.9	174.3	-165.4	-173.7	13.8	0	0	110.9	C655 E692 R719 C720 S723 C727	C655-Q725 WeakPolarHBondContact O-CB 3.45Å; C655-Q725 VanDerWaalsContact O-CD 3.27Å; C655-Q725 PolarHBondContact O-OE1 2.85Å; C655-Q725 VanDerWaalsContact O-OE1 3.12Å; E692-Q725 WeakPolarHBondContact OE1-CA 3.48Å; E692-Q725 WeakPolarHBondContact OE1-CG 3.49Å; R719-Q725 WeakPolarHBondContact CA-O 3.44Å; C720-Q725 WeakPolarHBondContact CB-O 3.31Å; C720-Q725 PolarHBondContact N-O 3.32Å; S723-Q725 PolarHBondContact O-N 2.95Å; S723-Q725 PolarHBondContact OG-N 3.49Å; Q725-C727 PolarHBondContact O-N 2.81Å
726	A	91.2	Very high	88.4	Confident	3 Å²	3	43.6 Å²	43.6	3%	0.025	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-60.7	123.9	171.5	0	0	0	0	0	111	E692 L701 A709 W717 Q728	E692-A726 PolarHBondContact OE2-N 2.54Å; L701-A726 HydrophobicContact CD1-CB 3.93Å; A709-A726 HydrophobicContact CB-CB 4.08Å; W717-A726 HydrophobicContact CB-CB 4.17Å; A726-Q728 HydrophobicContact CB-CG 3.97Å; A726-Q728 PolarHBondContact O-N 3.41Å; A726-Q728 VanDerWaalsContact O-N 3.13Å
727	C	90.8	Very high	87.4	Confident	7 Å²	7	39.2 Å²	39.2	5%	0.047	20%	0.195	C	C	.	.			trans	-79.2	92.7	173.6	-68.2	0	0	0	0	108.9	L718 Q725 I741	L718-C727 WeakPolarHBondContact O-CB 3.16Å; L718-C727 PolarHBondContact O-N 2.96Å; Q725-C727 PolarHBondContact O-N 2.81Å; C727-I741 HydrophobicContact CB-CD1 3.73Å
728	Q	88.8	Confident	86.4	Confident	49 Å²	49	42.4 Å²	42.4	23%	0.229	21%	0.211	C	C	.	.			trans	-96	2	-176.7	-57.3	-172.5	72.6	0	0	113.4	R693 C694 S695 W717 A726	R693-Q728 PolarHBondContact O-NE2 2.87Å; R693-Q728 PolarHBondContact O-OE1 2.79Å; C694-Q728 VanDerWaalsContact CA-OE1 3.24Å; S695-Q728 PolarHBondContact OG-OE1 3.07Å; W717-Q728 HydrophobicContact CD2-CB 4.38Å; W717-Q728 HydrophobicContact CD2-CG 3.96Å; W717-Q728 HydrophobicContact CE3-CB 4.3Å; W717-Q728 HydrophobicContact CE3-CG 4.33Å; W717-Q728 HydrophobicContact CG-CG 4.06Å; W717-Q728 HydrophobicContact CZ3-CB 4.47Å; A726-Q728 HydrophobicContact CB-CG 3.97Å; A726-Q728 PolarHBondContact O-N 3.41Å; A726-Q728 VanDerWaalsContact O-N 3.13Å
729	T	84.4	Confident	85.6	Confident	59 Å²	59	40.9 Å²	40.9	36%	0.362	20%	0.204	S	C	.	.	S	Bend	trans	-91.8	149.1	174.3	51.7	0	0	0	0	110.9	T731	T729-T731 PolarHBondContact O-N 3.05Å; T729-T731 PolarHBondContact OG1-O 3.24Å
730	L	79.7	Confident	85.3	Confident	176 Å²	176	41.3 Å²	41.3	92%	0.921	21%	0.207	S	C	*	.	S	Bend	trans	-67.1	-21	175.2	-68.1	174.2	0	0	0	113
731	T	84.4	Confident	85.2	Confident	88 Å²	88	41.9 Å²	41.9	54%	0.54	21%	0.21	S	C	.	.			trans	-105.8	127.8	178.4	52.8	0	0	0	0	110.5	T729	T729-T731 PolarHBondContact O-N 3.05Å; T729-T731 PolarHBondContact OG1-O 3.24Å
732	F	87.3	Confident	85.2	Confident	85 Å²	85	41.5 Å²	41.5	37%	0.373	21%	0.208	S	C	.	.			trans	-147.6	160.6	174.6	49.3	-96.5	0	0	0	108.7	I741	F732-I741 HydrophobicContact CD2-CB 3.86Å; F732-I741 HydrophobicContact CD2-CD1 4.44Å; F732-I741 HydrophobicContact CD2-CG2 3.58Å; F732-I741 HydrophobicContact CE2-CB 4.41Å; F732-I741 HydrophobicContact CE2-CG2 3.64Å; F732-I741 HydrophobicContact CG-CB 4.41Å; F732-I741 HydrophobicContact CG-CD1 4.31Å; F732-I741 HydrophobicContact CG-CG2 4.47Å
733	R	87.1	Confident	85	Confident	27 Å²	27	42.1 Å²	42.1	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	149	173.5	-67.6	179.8	-71.4	149.6	4.8	110.2	I741 A742 R743 L744 L757 M768 I769	R733-I741 CarbonylContact O-C 3.58Å; R733-I741 WeakPolarHBondContact O-CA 3.37Å; R733-A742 PolarHBondContact N-O 3.44Å; R733-A742 PolarHBondContact O-N 3.37Å; R733-R743 PolarHBondContact NH2-O 3.32Å; R733-L744 HydrophobicContact CG-CD2 3.64Å; R733-L744 HydrophobicContact CG-CG 4.41Å; R733-L757 VanDerWaalsContact CZ-O 3.23Å; R733-L757 PolarHBondContact NH1-O 3.28Å; R733-L757 PolarHBondContact NH2-O 3.46Å; R733-M768 HydrophobicContact CB-CB 4.07Å; R733-I769 CarbonylContact C-O 3.47Å; R733-I769 WeakPolarHBondContact CA-O 3.39Å; R733-I769 WeakPolarHBondContact CB-O 3.4Å; R733-I769 WeakPolarHBondContact CG-OXT 3.07Å
734	R	86.3	Confident	84.8	Confident	113 Å²	113	45.2 Å²	45.2	43%	0.426	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.8	177.7	-154.9	174.3	-176.5	163.6	-5.8	109.9	Q738 C740 I741 I769	R734-Q738 PolarHBondContact NE-O 3.42Å; R734-Q738 PolarHBondContact NH2-O 2.9Å; R734-C740 WeakPolarHBondContact CA-O 3.5Å; R734-C740 VanDerWaalsContact CG-O 3.24Å; R734-C740 WeakPolarHBondContact CG-O 3.34Å; R734-I741 HydrophobicContact CG-CG2 4.28Å; R734-I769 PolarHBondContact N-O 3.17Å; R734-I769 PolarHBondContact O-N 3.26Å
735	C	83.9	Confident	84.5	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.014	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-68	155.1	172	72.6	0	0	0	0	110.4	L737 Q738 D739 C740 C761 M768	C735-L737 PolarHBondContact O-N 2.96Å; C735-Q738 WeakPolarHBondContact O-CA 3.25Å; C735-Q738 PolarHBondContact O-N 3.44Å; C735-Q738 PolarHBondContact SG-N 2.93Å; C735-Q738 VanDerWaalsContact SG-N 3.39Å; C735-D739 PolarHBondContact SG-N 3.09Å; C735-C740 PolarHBondContact N-O 3.46Å; C735-C740 PolarHBondContact SG-N 2.95Å; C735-C740 VanDerWaalsContact SG-N 3.41Å; C735-C761 HydrophobicContact CB-CB 3.6Å; C735-M768 HydrophobicContact CB-CE 4.48Å; C735-M768 HydrophobicContact CB-SD 3.54Å; C735-M768 VanDerWaalsContact CB-SD 3.54Å
736	L	72.4	Confident	84.1	Confident	20 Å²	20	49.7 Å²	49.7	11%	0.105	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-38.3	177.7	-178	68.7	0	0	0	113.1	L78 H182 F517 Q738 P767	L78-L736 HydrophobicContact CD2-CD1 3.63Å; L78-L736 HydrophobicContact CD2-CD2 3.83Å; L78-L736 HydrophobicContact CD2-CG 3.8Å; H182-L736 WeakPolarHBondContact CE1-CD1 3.41Å; H182-L736 WeakPolarHBondContact ND1-CD1 3.38Å; F517-L736 HydrophobicContact CD2-CD2 4.11Å; F517-L736 HydrophobicContact CE2-CD2 3.63Å; L736-Q738 PolarHBondContact O-N 3.26Å; L736-P767 PolarHBondContact N-O 3.47Å
737	L	71	Confident	83.7	Confident	24 Å²	24	55.3 Å²	55.3	13%	0.126	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	4.1	179.2	-54.4	-172.6	0	0	0	113.3	C79 M81 H82 C735 D739 C764	C79-L737 VanDerWaalsContact O-CD2 3.29Å; C79-L737 WeakPolarHBondContact O-CD2 3.39Å; M81-L737 HydrophobicContact CG-CD1 4.16Å; H82-L737 PolarHBondContact NE2-O 3.4Å; C735-L737 PolarHBondContact O-N 2.96Å; L737-D739 PolarHBondContact O-N 3.39Å; L737-D739 VanDerWaalsContact O-N 3.09Å; L737-C764 HydrophobicContact CD1-CB 3.55Å; L737-C764 HydrophobicContact CG-CB 4.4Å
738	Q	70.2	Confident	83.4	Confident	109 Å²	109	63.6 Å²	63.6	51%	0.509	33%	0.326	S	S	.	.	S	Bend	trans	61.8	12	175.7	-56.8	-172.9	5.1	0	0	116.8	R734 C735 L736	R734-Q738 PolarHBondContact NE-O 3.42Å; R734-Q738 PolarHBondContact NH2-O 2.9Å; C735-Q738 WeakPolarHBondContact O-CA 3.25Å; C735-Q738 PolarHBondContact O-N 3.44Å; C735-Q738 PolarHBondContact SG-N 2.93Å; C735-Q738 VanDerWaalsContact SG-N 3.39Å; L736-Q738 PolarHBondContact O-N 3.26Å
739	D	75	Confident	83.2	Confident	49 Å²	49	61.6 Å²	61.6	26%	0.262	32%	0.317	S	S	.	.	S	Bend	trans	-79	-27.1	-179.9	-77.6	-42.7	0	0	0	115.5	H82 R565 C735 L737	H82-D739 IonicContact CE1-OD1 3.36Å; H82-D739 PolarHBondContact CE1-OD1 3.04Å; H82-D739 IonicContact NE2-OD1 3.54Å; R565-D739 IonicContact CZ-OD2 2.66Å; R565-D739 IonicContact NH1-OD1 3.86Å; R565-D739 IonicContact NH1-OD2 2.86Å; R565-D739 PolarHBondContact NH1-OD2 2.94Å; R565-D739 IonicContact NH2-OD2 3.18Å; C735-D739 PolarHBondContact SG-N 3.09Å; L737-D739 PolarHBondContact O-N 3.39Å; L737-D739 VanDerWaalsContact O-N 3.09Å
740	C	86.4	Confident	83.2	Confident	15 Å²	15	61 Å²	61	10%	0.101	31%	0.314	C	S	.	.			trans	-138	153.7	-168.8	-67.6	0	0	0	0	111.9	V721 R734 C735 L763 M768	V721-C740 HydrophobicContact CB-CB 3.99Å; V721-C740 HydrophobicContact CG1-CB 3.96Å; V721-C740 HydrophobicContact CG2-CB 3.96Å; R734-C740 WeakPolarHBondContact CA-O 3.5Å; R734-C740 VanDerWaalsContact CG-O 3.24Å; R734-C740 WeakPolarHBondContact CG-O 3.34Å; C735-C740 PolarHBondContact N-O 3.46Å; C735-C740 PolarHBondContact SG-N 2.95Å; C735-C740 VanDerWaalsContact SG-N 3.41Å; C740-L763 WeakPolarHBondContact SG-CD1 3.17Å; C740-M768 HydrophobicContact CB-CE 4.46Å
741	I	90.9	Very high	83.4	Confident	13 Å²	13	58.8 Å²	58.8	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.6	174.5	68.1	156.8	0	0	0	111.6	L718 V721 C727 F732 R733 R734	L718-I741 HydrophobicContact CB-CD1 3.25Å; L718-I741 HydrophobicContact CB-CG1 3.97Å; L718-I741 HydrophobicContact CD1-CD1 3.98Å; L718-I741 HydrophobicContact CD1-CG1 4.43Å; L718-I741 HydrophobicContact CD1-CG2 4.32Å; L718-I741 HydrophobicContact CG-CD1 4.27Å; V721-I741 WeakPolarHBondContact CB-O 3.24Å; V721-I741 WeakPolarHBondContact CG1-O 3.45Å; V721-I741 PolarHBondContact N-O 3.27Å; C727-I741 HydrophobicContact CB-CD1 3.73Å; F732-I741 HydrophobicContact CD2-CB 3.86Å; F732-I741 HydrophobicContact CD2-CD1 4.44Å; F732-I741 HydrophobicContact CD2-CG2 3.58Å; F732-I741 HydrophobicContact CE2-CB 4.41Å; F732-I741 HydrophobicContact CE2-CG2 3.64Å; F732-I741 HydrophobicContact CG-CB 4.41Å; F732-I741 HydrophobicContact CG-CD1 4.31Å; F732-I741 HydrophobicContact CG-CG2 4.47Å; R733-I741 CarbonylContact O-C 3.58Å; R733-I741 WeakPolarHBondContact O-CA 3.37Å; R734-I741 HydrophobicContact CG-CG2 4.28Å
742	A	91.1	Very high	83.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.8	171.4	0	0	0	0	0	110.9	L722 R733 M768	L722-A742 HydrophobicContact CD1-CB 3.88Å; L722-A742 HydrophobicContact CG-CB 4.21Å; R733-A742 PolarHBondContact N-O 3.44Å; R733-A742 PolarHBondContact O-N 3.37Å; A742-M768 HydrophobicContact CB-CB 4.41Å; A742-M768 HydrophobicContact CB-CE 3.4Å; A742-M768 VanDerWaalsContact CB-CE 3.4Å; A742-M768 HydrophobicContact CB-CG 4.25Å; A742-M768 VanDerWaalsContact N-CE 3.31Å
743	R	89.6	Confident	83.4	Confident	15 Å²	15	52.7 Å²	52.7	6%	0.057	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-61.6	148.6	172.6	-160.8	-177.1	100.2	131	-6.5	110.5	C720 R733 E746 D749 L757	C720-R743 HydrophobicContact CB-CB 4.17Å; C720-R743 PolarHBondContact SG-N 3.35Å; R733-R743 PolarHBondContact NH2-O 3.32Å; R743-E746 IonicContact CZ-OE1 3.23Å; R743-E746 IonicContact CZ-OE2 2.74Å; R743-E746 VanDerWaalsContact CZ-OE2 3.26Å; R743-E746 IonicContact NH1-OE1 3.31Å; R743-E746 PolarHBondContact NH1-OE1 3.22Å; R743-E746 IonicContact NH1-OE2 3.53Å; R743-E746 PolarHBondContact NH1-OE2 3.31Å; R743-E746 IonicContact NH2-OE2 3.91Å; R743-E746 PolarHBondContact NH2-OE2 3.19Å; R743-D749 IonicContact CZ-OD2 3.26Å; R743-D749 IonicContact NH2-OD1 2.85Å; R743-D749 PolarHBondContact NH2-OD1 3.17Å; R743-D749 IonicContact NH2-OD2 2.88Å; R743-D749 PolarHBondContact NH2-OD2 3.4Å; R743-L757 HydrophobicContact CB-CD2 4.2Å
744	L	86.5	Confident	83.4	Confident	67 Å²	67	53.6 Å²	53.6	35%	0.351	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-75.5	142	166.3	-73.4	165.5	0	0	0	109.8	R733	R733-L744 HydrophobicContact CG-CD2 3.64Å; R733-L744 HydrophobicContact CG-CG 4.41Å
745	P	85.6	Confident	83.4	Confident	50 Å²	50	56 Å²	56	33%	0.325	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-68.1	131.2	172.1	25.1	-27.9	0	0	0	110.3	K754 L757	P745-K754 HydrophobicContact CB-CB 4.41Å; P745-K754 HydrophobicContact CB-CG 3.99Å; P745-L757 HydrophobicContact CB-CD1 4.09Å
746	E	84.4	Confident	83.6	Confident	72 Å²	72	57 Å²	57	34%	0.336	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-90.2	153.8	176	-72.3	170.2	170.4	0	0	110.6	R743 E748 D749 K754	R743-E746 IonicContact CZ-OE1 3.23Å; R743-E746 IonicContact CZ-OE2 2.74Å; R743-E746 VanDerWaalsContact CZ-OE2 3.26Å; R743-E746 IonicContact NH1-OE1 3.31Å; R743-E746 PolarHBondContact NH1-OE1 3.22Å; R743-E746 IonicContact NH1-OE2 3.53Å; R743-E746 PolarHBondContact NH1-OE2 3.31Å; R743-E746 IonicContact NH2-OE2 3.91Å; R743-E746 PolarHBondContact NH2-OE2 3.19Å; E746-E748 PolarHBondContact O-N 3.22Å; E746-D749 PolarHBondContact N-OD2 3.36Å; E746-D749 VanDerWaalsContact O-CB 3.3Å; E746-D749 WeakPolarHBondContact O-CB 3.47Å; E746-D749 PolarHBondContact O-N 3.34Å; E746-K754 WeakPolarHBondContact O-CE 3.39Å
747	P	82.6	Confident	84.4	Confident	121 Å²	121	56 Å²	56	79%	0.786	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.4	178.2	-24.9	34.6	0	0	0	112.8	D749 K754	P747-D749 PolarHBondContact O-N 2.5Å; P747-K754 PolarHBondContact O-NZ 2.85Å
748	E	83.8	Confident	85.1	Confident	181 Å²	181	60.7 Å²	60.7	85%	0.846	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.2	178.9	-57.8	-177.4	-177.8	0	0	113.1	E746	E746-E748 PolarHBondContact O-N 3.22Å
749	D	84.4	Confident	85.9	Confident	8 Å²	8	57 Å²	57	4%	0.043	29%	0.289	C	S	.	.	S	Bend	trans	-65.3	135.1	179.9	-78.1	-30.7	0	0	0	111.4	R743 E746 P747 I753 K754	R743-D749 IonicContact CZ-OD2 3.26Å; R743-D749 IonicContact NH2-OD1 2.85Å; R743-D749 PolarHBondContact NH2-OD1 3.17Å; R743-D749 IonicContact NH2-OD2 2.88Å; R743-D749 PolarHBondContact NH2-OD2 3.4Å; E746-D749 PolarHBondContact N-OD2 3.36Å; E746-D749 VanDerWaalsContact O-CB 3.3Å; E746-D749 WeakPolarHBondContact O-CB 3.47Å; E746-D749 PolarHBondContact O-N 3.34Å; P747-D749 PolarHBondContact O-N 2.5Å; D749-I753 HydrophobicContact CB-CB 4.27Å; D749-I753 HydrophobicContact CB-CG2 4.16Å; D749-K754 HydrophobicContact CB-CG 3.87Å; D749-K754 WeakPolarHBondContact O-CE 3.43Å; D749-K754 PolarHBondContact O-NZ 3.23Å
750	P	85.4	Confident	86.6	Confident	46 Å²	46	57.3 Å²	57.3	30%	0.299	29%	0.294	S	S	.	.			trans	-54.6	147.9	167.2	-24.9	32.9	0	0	0	112.3	W752 I753 K754	P750-W752 HydrophobicContact CB-CG 4.37Å; P750-W752 PolarHBondContact O-N 3.25Å; P750-W752 VanDerWaalsContact O-N 3.13Å; P750-I753 HydrophobicContact CB-CG1 4.32Å; P750-I753 HydrophobicContact CG-CD1 4.17Å; P750-I753 HydrophobicContact CG-CG1 4.32Å; P750-I753 WeakPolarHBondContact O-CA 3.22Å; P750-I753 WeakPolarHBondContact O-CB 3.4Å; P750-I753 PolarHBondContact O-N 3.12Å; P750-K754 PolarHBondContact O-N 3.03Å
751	E	82.8	Confident	86.8	Confident	129 Å²	129	56.6 Å²	56.6	60%	0.603	29%	0.289	S	S	*	.	H	α-helix	trans	-58.7	-33.2	-175.6	-165.1	56	-145.8	0	0	113.2	K754 K755	E751-K754 PolarHBondContact O-N 3.36Å; E751-K755 WeakPolarHBondContact O-CB 3.48Å; E751-K755 PolarHBondContact O-N 3.35Å
752	W	84.7	Confident	86.8	Confident	43 Å²	43	56.3 Å²	56.3	16%	0.163	29%	0.288	C	S	.	.	H	α-helix	trans	-69.1	-31.7	175.5	69.2	-95.6	0	0	0	112.8	V643 V644 N647 I654 I656 P750 L756	V643-W752 HydrophobicContact CG1-CD2 4.48Å; V643-W752 HydrophobicContact CG1-CE3 3.56Å; V643-W752 HydrophobicContact CG1-CZ3 3.95Å; V644-W752 HydrophobicContact CG2-CH2 3.98Å; V644-W752 HydrophobicContact CG2-CZ3 4.22Å; N647-W752 HydrophobicContact CB-CD2 3.91Å; N647-W752 HydrophobicContact CB-CG 3.89Å; N647-W752 HydrophobicContact CB-CZ2 4.46Å; I654-W752 HydrophobicContact CG2-CZ2 4Å; I656-W752 HydrophobicContact CD1-CH2 3.66Å; I656-W752 HydrophobicContact CD1-CZ3 3.64Å; P750-W752 HydrophobicContact CB-CG 4.37Å; P750-W752 PolarHBondContact O-N 3.25Å; P750-W752 VanDerWaalsContact O-N 3.13Å; W752-L756 WeakPolarHBondContact O-CB 3.33Å; W752-L756 PolarHBondContact O-N 2.68Å
753	I	87.5	Confident	86.8	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-70.1	-45.2	172.4	-63.4	-167.1	0	0	0	109.4	D749 P750 K755 L756 L757	D749-I753 HydrophobicContact CB-CB 4.27Å; D749-I753 HydrophobicContact CB-CG2 4.16Å; P750-I753 HydrophobicContact CB-CG1 4.32Å; P750-I753 HydrophobicContact CG-CD1 4.17Å; P750-I753 HydrophobicContact CG-CG1 4.32Å; P750-I753 WeakPolarHBondContact O-CA 3.22Å; P750-I753 WeakPolarHBondContact O-CB 3.4Å; P750-I753 PolarHBondContact O-N 3.12Å; I753-K755 PolarHBondContact O-N 3.43Å; I753-L756 WeakPolarHBondContact O-CB 3.47Å; I753-L756 PolarHBondContact O-N 3.22Å; I753-L756 VanDerWaalsContact O-N 3.1Å; I753-L757 HydrophobicContact CG2-CD1 3.88Å; I753-L757 HydrophobicContact CG2-CG 4.18Å; I753-L757 WeakPolarHBondContact O-CB 3.43Å; I753-L757 WeakPolarHBondContact O-CG 3.5Å; I753-L757 PolarHBondContact O-N 3.5Å
754	K	86.8	Confident	86.6	Confident	45 Å²	45	56.5 Å²	56.5	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-55.8	-42.8	175	-66.7	176	172.5	147.7	0	111	P745 E746 P747 D749 P750 E751 L757 K758	P745-K754 HydrophobicContact CB-CB 4.41Å; P745-K754 HydrophobicContact CB-CG 3.99Å; E746-K754 WeakPolarHBondContact O-CE 3.39Å; P747-K754 PolarHBondContact O-NZ 2.85Å; D749-K754 HydrophobicContact CB-CG 3.87Å; D749-K754 WeakPolarHBondContact O-CE 3.43Å; D749-K754 PolarHBondContact O-NZ 3.23Å; P750-K754 PolarHBondContact O-N 3.03Å; E751-K754 PolarHBondContact O-N 3.36Å; K754-L757 PolarHBondContact O-N 3.36Å; K754-K758 VanDerWaalsContact O-CG 3.31Å; K754-K758 WeakPolarHBondContact O-CG 3.49Å; K754-K758 PolarHBondContact O-N 3.4Å; K754-K758 VanDerWaalsContact O-N 3.14Å
755	K	86.4	Confident	86.8	Confident	163 Å²	163	53.8 Å²	53.8	71%	0.709	28%	0.276	S	S	*	.	H	α-helix	trans	-64.4	-44.1	174.7	-172.2	174.5	-178.4	176.2	0	112.7	E751 I753 L757 K758	E751-K755 WeakPolarHBondContact O-CB 3.48Å; E751-K755 PolarHBondContact O-N 3.35Å; I753-K755 PolarHBondContact O-N 3.43Å; K755-L757 VanDerWaalsContact C-N 3.34Å; K755-L757 PolarHBondContact O-N 3.16Å; K755-K758 PolarHBondContact O-N 2.68Å
756	L	88.8	Confident	86.7	Confident	23 Å²	23	51.6 Å²	51.6	12%	0.12	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-44.9	176.3	-179.7	68.1	0	0	0	111.4	V640 I656 W752 I753 K758 A759	V640-L756 HydrophobicContact CG1-CD2 4.22Å; V640-L756 HydrophobicContact CG2-CD1 4.24Å; V640-L756 HydrophobicContact CG2-CD2 4.37Å; I656-L756 HydrophobicContact CD1-CD2 4.06Å; W752-L756 WeakPolarHBondContact O-CB 3.33Å; W752-L756 PolarHBondContact O-N 2.68Å; I753-L756 WeakPolarHBondContact O-CB 3.47Å; I753-L756 PolarHBondContact O-N 3.22Å; I753-L756 VanDerWaalsContact O-N 3.1Å; L756-K758 PolarHBondContact O-N 2.9Å; L756-A759 WeakPolarHBondContact O-CB 3.25Å; L756-A759 PolarHBondContact O-N 2.89Å
757	L	88.6	Confident	86.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-67.4	-23.9	179	-68.9	176.9	0	0	0	112.2	L722 R733 R743 P745 I753 K754 K755 A759	L722-L757 HydrophobicContact CB-CD2 4.48Å; L722-L757 VanDerWaalsContact CD1-O 3.22Å; L722-L757 WeakPolarHBondContact CD1-O 3.5Å; R733-L757 VanDerWaalsContact CZ-O 3.23Å; R733-L757 PolarHBondContact NH1-O 3.28Å; R733-L757 PolarHBondContact NH2-O 3.46Å; R743-L757 HydrophobicContact CB-CD2 4.2Å; P745-L757 HydrophobicContact CB-CD1 4.09Å; I753-L757 HydrophobicContact CG2-CD1 3.88Å; I753-L757 HydrophobicContact CG2-CG 4.18Å; I753-L757 WeakPolarHBondContact O-CB 3.43Å; I753-L757 WeakPolarHBondContact O-CG 3.5Å; I753-L757 PolarHBondContact O-N 3.5Å; K754-L757 PolarHBondContact O-N 3.36Å; K755-L757 VanDerWaalsContact C-N 3.34Å; K755-L757 PolarHBondContact O-N 3.16Å; L757-A759 PolarHBondContact O-N 2.85Å
758	K	85.7	Confident	86.8	Confident	122 Å²	122	43.4 Å²	43.4	53%	0.53	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4	175.1	-72.6	174.2	-175	179.6	0	113.9	K754 K755 L756	K754-K758 VanDerWaalsContact O-CG 3.31Å; K754-K758 WeakPolarHBondContact O-CG 3.49Å; K754-K758 PolarHBondContact O-N 3.4Å; K754-K758 VanDerWaalsContact O-N 3.14Å; K755-K758 PolarHBondContact O-N 2.68Å; L756-K758 PolarHBondContact O-N 2.9Å
759	A	87.9	Confident	86.5	Confident	31 Å²	31	37 Å²	37	26%	0.256	19%	0.185	S	C	.	.	S	Bend	trans	-64.9	152.9	178	0	0	0	0	0	112.6	L722 L756 L757	L722-A759 HydrophobicContact CD1-CB 4.3Å; L722-A759 WeakPolarHBondContact CD1-O 3.29Å; L722-A759 HydrophobicContact CD2-CB 4.11Å; L756-A759 WeakPolarHBondContact O-CB 3.25Å; L756-A759 PolarHBondContact O-N 2.89Å; L757-A759 PolarHBondContact O-N 2.85Å
760	P	89	Confident	86.6	Confident	55 Å²	55	38.5 Å²	38.5	36%	0.357	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-69.8	168.4	173.8	30.6	-35.5	0	0	0	111.9	L722 L762 D765	L722-P760 WeakPolarHBondContact CD2-O 3.1Å; P760-L762 PolarHBondContact O-N 3.41Å; P760-D765 WeakPolarHBondContact CB-O 3.37Å
761	C	90.7	Very high	86.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-56.1	128.5	175.4	-178.1	0	0	0	0	111.7	C735 L763 C764 D765 S766 M768	C735-C761 HydrophobicContact CB-CB 3.6Å; C761-L763 PolarHBondContact O-N 3.14Å; C761-C764 PolarHBondContact O-N 3.15Å; C761-D765 VanDerWaalsContact O-CA 3.27Å; C761-D765 WeakPolarHBondContact O-CA 3.39Å; C761-D765 PolarHBondContact O-N 2.92Å; C761-S766 WeakPolarHBondContact CB-O 3.14Å; C761-S766 PolarHBondContact N-O 3.1Å; C761-M768 HydrophobicContact CB-SD 3.76Å
762	L	90.6	Very high	86.8	Confident	8 Å²	8	33 Å²	33	4%	0.042	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.5	-178.2	76.4	96.2	0	0	0	114.2	R558 L632 M633 H636 V721 P760	R558-L762 PolarHBondContact NE-O 3.48Å; L632-L762 HydrophobicContact CB-CD1 4.02Å; M633-L762 HydrophobicContact CG-CD1 4.26Å; M633-L762 HydrophobicContact SD-CD1 3.76Å; M633-L762 HydrophobicContact SD-CD2 3.69Å; M633-L762 HydrophobicContact SD-CG 4.27Å; H636-L762 HydrophobicContact CB-CD2 4.27Å; V721-L762 HydrophobicContact CB-CD2 4.19Å; V721-L762 HydrophobicContact CG1-CD2 4.44Å; V721-L762 HydrophobicContact CG2-CD2 3.25Å; V721-L762 HydrophobicContact CG2-CG 3.84Å; V721-L762 WeakPolarHBondContact O-CD2 3.48Å; P760-L762 PolarHBondContact O-N 3.41Å
763	L	90.3	Very high	87	Confident	9 Å²	9	32.4 Å²	32.4	5%	0.047	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-27.6	-177.8	-60.5	-177.3	0	0	0	113.5	R558 L561 E629 L632 C740 C761	R558-L763 WeakPolarHBondContact CG-O 3.45Å; L561-L763 HydrophobicContact CD2-CB 4.26Å; L561-L763 HydrophobicContact CD2-CD2 3.87Å; L561-L763 HydrophobicContact CD2-CG 4.47Å; E629-L763 HydrophobicContact CG-CD2 4.39Å; L632-L763 HydrophobicContact CB-CD2 4.2Å; L632-L763 HydrophobicContact CD1-CD2 3.96Å; C740-L763 WeakPolarHBondContact SG-CD1 3.17Å; C761-L763 PolarHBondContact O-N 3.14Å
764	C	86.7	Confident	86.9	Confident	9 Å²	9	34.3 Å²	34.3	6%	0.061	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.5	5.7	-171.9	66.5	0	0	0	0	115	L737 C761 S766	L737-C764 HydrophobicContact CD1-CB 3.55Å; L737-C764 HydrophobicContact CG-CB 4.4Å; C761-C764 PolarHBondContact O-N 3.15Å; C764-S766 PolarHBondContact O-N 3.29Å; C764-S766 VanDerWaalsContact SG-CB 3.55Å; C764-S766 PolarHBondContact SG-OG 3.3Å
765	D	89.2	Confident	86.9	Confident	11 Å²	11	33.5 Å²	33.5	6%	0.059	17%	0.172	C	C	.	.			trans	57.2	7.7	-177.8	-62.9	-45.3	0	0	0	115.4	L516 F517 R558 P760 C761	L516-D765 HydrophobicContact CB-CB 4.41Å; L516-D765 PolarHBondContact N-OD2 2.95Å; L516-D765 VanDerWaalsContact N-OD2 3.16Å; F517-D765 HydrophobicContact CB-CB 4.41Å; F517-D765 WeakPolarHBondContact CB-O 3.37Å; R558-D765 WeakPolarHBondContact CD-OD2 3.4Å; R558-D765 IonicContact CZ-OD1 3.8Å; R558-D765 IonicContact CZ-OD2 3.8Å; R558-D765 IonicContact NE-OD1 3.55Å; R558-D765 PolarHBondContact NE-OD1 3Å; R558-D765 IonicContact NE-OD2 3.75Å; R558-D765 IonicContact NH1-OD1 3.14Å; R558-D765 PolarHBondContact NH1-OD1 3.08Å; R558-D765 IonicContact NH1-OD2 2.59Å; R558-D765 PolarHBondContact NH1-OD2 3.1Å; R558-D765 VanDerWaalsContact NH1-OD2 3.13Å; R558-D765 IonicContact NH2-OD1 2.68Å; P760-D765 WeakPolarHBondContact CB-O 3.37Å; C761-D765 VanDerWaalsContact O-CA 3.27Å; C761-D765 WeakPolarHBondContact O-CA 3.39Å; C761-D765 PolarHBondContact O-N 2.92Å
766	S	85.2	Confident	87	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.021	13%	0.133	C	C	.	.			trans	-71.4	142.8	179	-60.7	0	0	0	0	111.2	C761 C764	C761-S766 WeakPolarHBondContact CB-O 3.14Å; C761-S766 PolarHBondContact N-O 3.1Å; C764-S766 PolarHBondContact O-N 3.29Å; C764-S766 VanDerWaalsContact SG-CB 3.55Å; C764-S766 PolarHBondContact SG-OG 3.3Å
767	P	83.6	Confident	86.9	Confident	15 Å²	15	24.4 Å²	24.4	10%	0.097	13%	0.134	C	C	.	.			trans	-52.1	143.3	169.7	-27.3	35.4	0	0	0	112.6	S160 R162 F517 L736 I769	S160-P767 WeakPolarHBondContact O-CB 3.19Å; R162-P767 HydrophobicContact CG-CB 4.5Å; R162-P767 HydrophobicContact CG-CG 4.17Å; F517-P767 HydrophobicContact CD1-CG 4.28Å; F517-P767 HydrophobicContact CE1-CG 3.99Å; F517-P767 HydrophobicContact CZ-CG 4.14Å; L736-P767 PolarHBondContact N-O 3.47Å; P767-I769 HydrophobicContact CB-CD1 4.36Å; P767-I769 HydrophobicContact CB-CG1 4.37Å
768	M	84.5	Confident	86.7	Confident	6 Å²	6	26.3 Å²	26.3	3%	0.03	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-92.6	114.2	172.5	-58.5	-62.5	-76.5	0	0	108.3	V721 L722 R733 C735 C740 A742 C761	V721-M768 HydrophobicContact CG1-CE 4.01Å; L722-M768 HydrophobicContact CD1-CG 4.38Å; R733-M768 HydrophobicContact CB-CB 4.07Å; C735-M768 HydrophobicContact CB-CE 4.48Å; C735-M768 HydrophobicContact CB-SD 3.54Å; C735-M768 VanDerWaalsContact CB-SD 3.54Å; C740-M768 HydrophobicContact CB-CE 4.46Å; A742-M768 HydrophobicContact CB-CB 4.41Å; A742-M768 HydrophobicContact CB-CE 3.4Å; A742-M768 VanDerWaalsContact CB-CE 3.4Å; A742-M768 HydrophobicContact CB-CG 4.25Å; A742-M768 VanDerWaalsContact N-CE 3.31Å; C761-M768 HydrophobicContact CB-SD 3.76Å
769	I	77.1	Confident	86.8	Confident	47 Å²	47	17.6 Å²	17.6	24%	0.241	11%	0.11	C	C	.	.			trans	-113.1	0	-172.9	-66.4	160.3	0	0	0	111.4	H182 R733 R734 P767	H182-I769 WeakPolarHBondContact CE1-CD1 3.32Å; H182-I769 VanDerWaalsContact NE2-CD1 3.32Å; H182-I769 WeakPolarHBondContact NE2-CD1 3.43Å; R733-I769 CarbonylContact C-O 3.47Å; R733-I769 WeakPolarHBondContact CA-O 3.39Å; R733-I769 WeakPolarHBondContact CB-O 3.4Å; R733-I769 WeakPolarHBondContact CG-OXT 3.07Å; R734-I769 PolarHBondContact N-O 3.17Å; R734-I769 PolarHBondContact O-N 3.26Å; P767-I769 HydrophobicContact CB-CD1 4.36Å; P767-I769 HydrophobicContact CB-CG1 4.37Å

Retrieved 769 of 769 residues in 1965 ms (Link to these results)

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