A0A096M811_POEFO Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A096M811, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 672 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	36.5	Very low	32	Very low	248 Å²	248	127.2 Å²	127.2	100%	1.222	82%	0.824	S	S	*	*				0	130.2	0	-79.8	174.8	168.1	0	0	107
2	A	34.3	Very low	32.2	Very low	91 Å²	91	132.9 Å²	132.9	75%	0.752	83%	0.831	S	S	*	*			trans	6.9	147	163.2	0	0	0	0	0	118.9
3	D	31.7	Very low	32.4	Very low	142 Å²	142	135.7 Å²	135.7	76%	0.759	84%	0.837	S	S	*	*			cis	-170.3	131.7	7.9	-123.4	-36.6	0	0	0	106.6
4	S	31.6	Very low	32.3	Very low	100 Å²	100	130.1 Å²	130.1	70%	0.699	82%	0.819	S	S	*	*			trans	34.8	123.1	131.8	53.5	0	0	0	0	123.1
5	A	32.1	Very low	32.5	Very low	98 Å²	98	130.1 Å²	130.1	81%	0.81	82%	0.821	S	S	*	*			trans	75.9	103	132.2	0	0	0	0	0	121.1
6	A	31.6	Very low	32.6	Very low	108 Å²	108	135.6 Å²	135.6	89%	0.893	83%	0.829	S	S	*	*				-158.6	109	110.5	0	0	0	0	0	109.7
7	T	30.3	Very low	32.8	Very low	117 Å²	117	138.2 Å²	138.2	72%	0.718	83%	0.83	S	S	*	*			trans	-94.9	159.7	179.2	42.2	0	0	0	0	111.7
8	N	30.2	Very low	32.9	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	83%	0.827	S	S	*	*			trans	105.5	135.5	147.3	-65.7	-16.1	0	0	0	116.8
9	S	30.6	Very low	32.9	Very low	102 Å²	102	140.2 Å²	140.2	71%	0.713	83%	0.834	S	S	*	*			cis	-180	148.7	-18.2	43	0	0	0	0	105.8
10	D	33.5	Very low	33	Very low	169 Å²	169	145.1 Å²	145.1	90%	0.904	84%	0.837	S	S	*	*			trans	-55.6	162.8	178.2	-58	-64.2	0	0	0	116.2
11	G	30	Very low	33	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	83%	0.83	S	S	*	*			trans	-177	82.4	167	0	0	0	0	0	113.5
12	E	33.4	Very low	33	Very low	196 Å²	196	139.4 Å²	139.4	92%	0.916	82%	0.815	S	S	*	*			trans	-40.8	158.7	151.3	-76.2	179.4	152.1	0	0	112.9
13	D	35.9	Very low	33	Very low	169 Å²	169	139.4 Å²	139.4	90%	0.904	82%	0.815	S	S	*	*			cis	-166.7	153.4	-3.6	-174.9	13.5	0	0	0	105.8
14	G	31	Very low	33.4	Very low	57 Å²	57	144.3 Å²	144.3	59%	0.588	82%	0.823	S	S	*	*			trans	155.6	149.8	174.5	0	0	0	0	0	117.2
15	P	34.5	Very low	33.5	Very low	130 Å²	130	148.5 Å²	148.5	84%	0.844	83%	0.832	S	S	*	*			trans	-78.5	142.3	-142.5	31.6	-35.7	0	0	0	115.6	Q17	P15-Q17 PolarHBondContact O-N 3.31Å; P15-Q17 VanDerWaalsContact O-N 3.12Å
16	K	34.9	Very low	33.7	Very low	218 Å²	218	146.9 Å²	146.9	95%	0.948	83%	0.825	S	S	*	*			trans	-62.4	106.4	179	-71.1	179.7	178.4	175.6	0	112.2
17	Q	36	Very low	33.8	Very low	181 Å²	181	146.6 Å²	146.6	85%	0.846	82%	0.822	S	S	*	*			trans	-76	152	160.6	-82.3	-174.5	2.8	0	0	111.2	P15	P15-Q17 PolarHBondContact O-N 3.31Å; P15-Q17 VanDerWaalsContact O-N 3.12Å
18	P	34.6	Very low	34.2	Very low	121 Å²	121	149.3 Å²	149.3	79%	0.786	83%	0.831	S	S	*	*			trans	-67.9	135.6	-171.1	27.6	-33.3	0	0	0	111.5	R20	P18-R20 PolarHBondContact O-N 3.32Å
19	M	32	Very low	34.7	Very low	193 Å²	193	153.7 Å²	153.7	95%	0.951	84%	0.837	S	S	*	*			trans	-53	112.6	174.4	-81.1	-174.6	177.5	0	0	110.5	G21	M19-G21 VanDerWaalsContact C-N 3.34Å; M19-G21 PolarHBondContact O-N 3.41Å
20	R	34.9	Very low	35.2	Very low	238 Å²	238	157.4 Å²	157.4	90%	0.898	84%	0.843	S	S	*	*			trans	-64.1	98.6	156.9	-80.9	-179.6	172.5	179.3	-1.9	107.4	P18 F22	P18-R20 PolarHBondContact O-N 3.32Å; R20-F22 PolarHBondContact O-N 3.25Å
21	G	33.4	Very low	36.2	Very low	67 Å²	67	154.6 Å²	154.6	69%	0.691	82%	0.822	S	S	*	*			trans	-55.8	124.1	164.9	0	0	0	0	0	108.8	M19 A23	M19-G21 VanDerWaalsContact C-N 3.34Å; M19-G21 PolarHBondContact O-N 3.41Å; G21-A23 VanDerWaalsContact C-N 3.35Å; G21-A23 PolarHBondContact O-N 3.08Å
22	F	36.6	Very low	38.1	Very low	206 Å²	206	157.2 Å²	157.2	90%	0.904	82%	0.818	S	S	*	*			trans	-57.9	99.5	169	-82.2	-95.3	0	0	0	108.5	R20 R24	R20-F22 PolarHBondContact O-N 3.25Å; F22-R24 PolarHBondContact O-N 3.23Å
23	A	33.3	Very low	40.3	Very low	92 Å²	92	151.2 Å²	151.2	76%	0.76	80%	0.795	S	S	*	*			trans	-62.1	105	163.6	0	0	0	0	0	107	G21 Q25	G21-A23 VanDerWaalsContact C-N 3.35Å; G21-A23 PolarHBondContact O-N 3.08Å; A23-Q25 VanDerWaalsContact C-N 3.3Å; A23-Q25 PolarHBondContact O-N 3.47Å
24	R	40.1	Very low	42.4	Very low	244 Å²	244	146.6 Å²	146.6	92%	0.921	77%	0.767	S	S	*	*			trans	-62.3	99.2	161.9	-72.5	-178.8	174.8	-177.8	-1.6	106.2	F22 G26	F22-R24 PolarHBondContact O-N 3.23Å; R24-G26 VanDerWaalsContact C-N 3.28Å; R24-G26 PolarHBondContact O-N 3.43Å
25	Q	35.5	Very low	45	Very low	189 Å²	189	150.1 Å²	150.1	88%	0.883	77%	0.769	S	S	*	*			trans	-57.5	102	158.3	-86.2	177.4	-30.5	0	0	106.1	A23 A27	A23-Q25 VanDerWaalsContact C-N 3.3Å; A23-Q25 PolarHBondContact O-N 3.47Å; Q25-A27 PolarHBondContact O-N 3.42Å
26	G	35	Very low	47.1	Very low	64 Å²	64	145.1 Å²	145.1	66%	0.66	74%	0.736	S	S	*	*			trans	-57.8	114.8	169.3	0	0	0	0	0	107.5	R24 L28	R24-G26 VanDerWaalsContact C-N 3.28Å; R24-G26 PolarHBondContact O-N 3.43Å; G26-L28 PolarHBondContact O-N 3.24Å
27	A	33.8	Very low	49	Very low	101 Å²	101	140.5 Å²	140.5	84%	0.835	72%	0.715	S	S	*	*			trans	-57.4	110.8	165.8	0	0	0	0	0	107.3	Q25 R29	Q25-A27 PolarHBondContact O-N 3.42Å; A27-R29 PolarHBondContact O-N 3.42Å
28	L	38.4	Very low	51	Low	174 Å²	174	134.8 Å²	134.8	91%	0.911	69%	0.691	S	S	*	*			trans	-59.8	104	169.4	-92.9	132.2	0	0	0	107.3	G26 Q30	G26-L28 PolarHBondContact O-N 3.24Å; L28-Q30 PolarHBondContact O-N 3.41Å
29	R	41.1	Very low	53.2	Low	237 Å²	237	129 Å²	129	89%	0.894	65%	0.653	S	S	*	*			trans	-57.3	107.4	166.9	-121.4	177.7	170.9	176.4	-3.2	106.8	A27 K31	A27-R29 PolarHBondContact O-N 3.42Å; R29-K31 PolarHBondContact O-N 2.98Å; R29-K31 VanDerWaalsContact O-N 3.1Å
30	Q	41	Very low	55.7	Low	181 Å²	181	124.3 Å²	124.3	85%	0.846	63%	0.627	S	S	*	*			trans	-55.3	118	174.6	-153.6	166.6	4.4	0	0	107	L28 N32	L28-Q30 PolarHBondContact O-N 3.41Å; Q30-N32 PolarHBondContact O-N 3.46Å
31	K	54.2	Low	58.3	Low	109 Å²	109	113 Å²	113	47%	0.474	59%	0.585	S	S	.	*			trans	-64.1	126.9	177.1	-70	178	-178.6	173.2	0	106.5	R29 V33 I42	R29-K31 PolarHBondContact O-N 2.98Å; R29-K31 VanDerWaalsContact O-N 3.1Å; K31-V33 WeakPolarHBondContact O-CG2 3.48Å; K31-V33 PolarHBondContact O-N 3.46Å; K31-I42 HydrophobicContact CD-CD1 4.47Å
32	N	69.8	Low	60.8	Low	134 Å²	134	110 Å²	110	72%	0.717	55%	0.553	S	S	*	*			trans	-55.4	110.1	171.8	-68.5	-4.7	0	0	0	108.3	Q30	Q30-N32 PolarHBondContact O-N 3.46Å
33	V	79.6	Confident	63.1	Low	71 Å²	71	101.3 Å²	101.3	43%	0.43	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.7	176.4	-176.1	0	0	0	0	107	K31 K40 F41 I42	K31-V33 WeakPolarHBondContact O-CG2 3.48Å; K31-V33 PolarHBondContact O-N 3.46Å; V33-K40 HydrophobicContact CG1-CB 3.73Å; V33-K40 HydrophobicContact CG1-CG 4.23Å; V33-F41 WeakPolarHBondContact CA-O 3.48Å; V33-I42 HydrophobicContact CG2-CG2 3.98Å
34	H	80.8	Confident	65.3	Low	71 Å²	71	102.2 Å²	102.2	33%	0.329	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.8	174.9	-66.1	-105.1	0	0	0	108.2	F41 F67 H81	H34-F41 HydrophobicContact CB-CB 4.19Å; H34-F41 PolarHBondContact N-O 3.4Å; H34-F41 WeakPolarHBondContact O-CB 3.41Å; H34-F41 PolarHBondContact O-N 2.83Å; H34-F67 AromaticContact CD2-CE1 3.81Å; H34-F67 AromaticContact CD2-CZ 3.61Å; H34-F67 AromaticContact NE2-CZ 3.65Å; H34-H81 AromaticContact CG-NE2 3.86Å; H34-H81 AromaticContact ND1-NE2 3.61Å
35	E	86	Confident	67	Low	132 Å²	132	96 Å²	96	62%	0.617	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	115	-178.2	-167.4	159.4	-158.6	0	0	110.5	H39	E35-H39 VanDerWaalsContact CA-O 3.27Å; E35-H39 WeakPolarHBondContact CA-O 3.43Å
36	V	77.9	Confident	68.9	Low	25 Å²	25	88.1 Å²	88.1	15%	0.152	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.2	179.7	-177.9	0	0	0	0	108.6	D38 H39 F41 H81	V36-D38 VanDerWaalsContact C-N 3.28Å; V36-D38 PolarHBondContact O-N 2.78Å; V36-H39 PolarHBondContact N-O 3.29Å; V36-H39 VanDerWaalsContact N-O 3.07Å; V36-H39 VanDerWaalsContact O-CB 3.24Å; V36-H39 WeakPolarHBondContact O-CB 3.2Å; V36-H39 PolarHBondContact O-N 3.26Å; V36-F41 HydrophobicContact CB-CD2 4.37Å; V36-F41 HydrophobicContact CB-CE2 4.24Å; V36-H81 WeakPolarHBondContact CG1-O 3.46Å
37	K	73.9	Confident	70.2	Confident	120 Å²	120	94 Å²	94	52%	0.522	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	50.7	-178.2	-58.6	-69.2	-173.3	174.8	0	112.1	H39 V84 F86 S87 C88	K37-H39 PolarHBondContact O-CD2 2.92Å; K37-H39 PolarHBondContact O-N 2.86Å; K37-V84 WeakPolarHBondContact CG-O 3.34Å; K37-F86 VanDerWaalsContact CB-O 3.26Å; K37-F86 WeakPolarHBondContact CB-O 3.4Å; K37-S87 CarbonylContact O-C 3.48Å; K37-S87 WeakPolarHBondContact O-CA 3.46Å; K37-C88 PolarHBondContact O-N 2.95Å
38	D	79.7	Confident	71.8	Confident	61 Å²	61	91.8 Å²	91.8	33%	0.326	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	0.8	-178.7	-40.3	-51.2	0	0	0	115.4	V36 S87 C88 A91 K93	V36-D38 VanDerWaalsContact C-N 3.28Å; V36-D38 PolarHBondContact O-N 2.78Å; D38-S87 WeakPolarHBondContact OD2-CB 3.44Å; D38-S87 PolarHBondContact OD2-OG 3.17Å; D38-C88 HydrophobicContact CB-CB 4.09Å; D38-C88 WeakPolarHBondContact O-CB 3.27Å; D38-A91 HydrophobicContact CB-CB 3.71Å; D38-K93 VanDerWaalsContact OD2-CE 3.29Å; D38-K93 WeakPolarHBondContact OD2-CE 3.26Å; D38-K93 IonicContact OD2-NZ 2.67Å; D38-K93 PolarHBondContact OD2-NZ 2.84Å
39	H	79.4	Confident	73.2	Confident	0 Å²	0	87.2 Å²	87.2	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.6	170.4	-70.3	-100.6	0	0	0	110.7	E35 V36 K37 F41 C69 C72 F86 C88	E35-H39 VanDerWaalsContact CA-O 3.27Å; E35-H39 WeakPolarHBondContact CA-O 3.43Å; V36-H39 PolarHBondContact N-O 3.29Å; V36-H39 VanDerWaalsContact N-O 3.07Å; V36-H39 VanDerWaalsContact O-CB 3.24Å; V36-H39 WeakPolarHBondContact O-CB 3.2Å; V36-H39 PolarHBondContact O-N 3.26Å; K37-H39 PolarHBondContact O-CD2 2.92Å; K37-H39 PolarHBondContact O-N 2.86Å; H39-F41 HydrophobicContact CB-CD2 3.8Å; H39-F41 HydrophobicContact CB-CE1 4.4Å; H39-F41 HydrophobicContact CB-CE2 3.33Å; H39-F41 HydrophobicContact CB-CZ 3.66Å; H39-F41 AromaticContact CG-CE2 3.93Å; H39-F41 AromaticContact CG-CZ 3.84Å; H39-F41 AromaticContact ND1-CZ 3.93Å; H39-F41 PolarHBondContact O-N 2.93Å; H39-C69 HydrophobicContact CB-CB 4.32Å; H39-C72 PolarHBondContact CE1-SG 3.48Å; H39-C72 PolarHBondContact ND1-SG 3.06Å; H39-F86 AromaticContact CE1-CE2 3.74Å; H39-F86 AromaticContact NE2-CD2 3.89Å; H39-F86 AromaticContact NE2-CE2 3.5Å; H39-C88 HydrophobicContact CB-CB 4.26Å; H39-C88 PolarHBondContact CD2-N 3.41Å; H39-C88 VanDerWaalsContact NE2-CA 3.33Å; H39-C88 WeakPolarHBondContact NE2-CA 3.39Å; H39-C88 PolarHBondContact NE2-N 3.45Å
40	K	85.8	Confident	74.6	Confident	94 Å²	94	76.1 Å²	76.1	41%	0.409	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	83.4	174.6	-66.9	-180	-178.2	176.4	0	110.5	V33 C69 Q70 V71	V33-K40 HydrophobicContact CG1-CB 3.73Å; V33-K40 HydrophobicContact CG1-CG 4.23Å; K40-C69 PolarHBondContact N-SG 3.38Å; K40-C69 CarbonylContact O-C 3.56Å; K40-C69 WeakPolarHBondContact O-CA 3.41Å; K40-Q70 PolarHBondContact O-N 3.46Å; K40-V71 HydrophobicContact CB-CG2 4.38Å; K40-V71 HydrophobicContact CD-CG2 4.33Å; K40-V71 HydrophobicContact CG-CG2 4.5Å
41	F	88.8	Confident	76.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130	-177.5	-73.1	-66.6	0	0	0	112.3	V33 H34 V36 H39 F67 C69 F74 V76 H81 V84	V33-F41 WeakPolarHBondContact CA-O 3.48Å; H34-F41 HydrophobicContact CB-CB 4.19Å; H34-F41 PolarHBondContact N-O 3.4Å; H34-F41 WeakPolarHBondContact O-CB 3.41Å; H34-F41 PolarHBondContact O-N 2.83Å; V36-F41 HydrophobicContact CB-CD2 4.37Å; V36-F41 HydrophobicContact CB-CE2 4.24Å; H39-F41 HydrophobicContact CB-CD2 3.8Å; H39-F41 HydrophobicContact CB-CE1 4.4Å; H39-F41 HydrophobicContact CB-CE2 3.33Å; H39-F41 HydrophobicContact CB-CZ 3.66Å; H39-F41 AromaticContact CG-CE2 3.93Å; H39-F41 AromaticContact CG-CZ 3.84Å; H39-F41 AromaticContact ND1-CZ 3.93Å; H39-F41 PolarHBondContact O-N 2.93Å; F41-F67 HydrophobicContact CB-CB 4.01Å; F41-F67 HydrophobicContact CB-CG 4.22Å; F41-F67 HydrophobicContact CD1-CB 3.97Å; F41-F67 HydrophobicContact CG-CB 4.24Å; F41-C69 HydrophobicContact CD1-CB 4Å; F41-C69 HydrophobicContact CE1-CB 3.82Å; F41-C69 HydrophobicContact CZ-CB 4.48Å; F41-F74 HydrophobicContact CE1-CD1 4.19Å; F41-F74 HydrophobicContact CZ-CD1 4.03Å; F41-V76 HydrophobicContact CD1-CG2 4.06Å; F41-V76 HydrophobicContact CE1-CG2 3.67Å; F41-V76 HydrophobicContact CZ-CG2 4.07Å; F41-H81 HydrophobicContact CD2-CB 3.98Å; F41-H81 HydrophobicContact CE2-CB 4.14Å; F41-H81 HydrophobicContact CG-CB 4.26Å; F41-V84 HydrophobicContact CE2-CG2 4.33Å; F41-V84 HydrophobicContact CZ-CG2 4.06Å
42	I	86	Confident	77.2	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142	172.3	57.5	162.3	0	0	0	111.3	K31 V33 R44 F67 Q68 Q70	K31-I42 HydrophobicContact CD-CD1 4.47Å; V33-I42 HydrophobicContact CG2-CG2 3.98Å; I42-R44 HydrophobicContact CD1-CG 4.35Å; I42-R44 HydrophobicContact CG1-CG 4.34Å; I42-R44 PolarHBondContact O-N 3.16Å; I42-F67 WeakPolarHBondContact O-CA 3.47Å; I42-Q68 WeakPolarHBondContact CG1-O 3.1Å; I42-Q68 PolarHBondContact N-O 3.2Å; I42-Q68 PolarHBondContact O-N 3.4Å; I42-Q70 HydrophobicContact CB-CG 4.24Å; I42-Q70 HydrophobicContact CD1-CG 3.65Å; I42-Q70 HydrophobicContact CG1-CG 3.59Å; I42-Q70 VanDerWaalsContact CG2-CD 3.44Å; I42-Q70 HydrophobicContact CG2-CG 3.68Å
43	A	84	Confident	77.3	Confident	24 Å²	24	59.9 Å²	59.9	20%	0.198	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125	176.2	0	0	0	0	0	110	K64 G66 F67	A43-K64 HydrophobicContact CB-CB 4.11Å; A43-K64 HydrophobicContact CB-CD 3.51Å; A43-K64 HydrophobicContact CB-CG 4.43Å; A43-K64 WeakPolarHBondContact O-CD 3.39Å; A43-G66 WeakPolarHBondContact CA-O 3.41Å; A43-F67 HydrophobicContact CB-CD1 4Å; A43-F67 HydrophobicContact CB-CE1 3.73Å
44	R	79.5	Confident	76.8	Confident	111 Å²	111	58.1 Å²	58.1	42%	0.419	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.8	-178.5	-84.8	-76.3	-170.8	178.3	2.6	111.4	I42 F46 K64 Q65 G66 Q68	I42-R44 HydrophobicContact CD1-CG 4.35Å; I42-R44 HydrophobicContact CG1-CG 4.34Å; I42-R44 PolarHBondContact O-N 3.16Å; R44-F46 HydrophobicContact CB-CE1 4.05Å; R44-F46 HydrophobicContact CB-CE2 4.19Å; R44-F46 HydrophobicContact CB-CZ 3.81Å; R44-K64 CarbonylContact O-C 3.51Å; R44-K64 VanDerWaalsContact O-C 3.26Å; R44-K64 WeakPolarHBondContact O-CA 3.5Å; R44-K64 WeakPolarHBondContact O-CB 3.17Å; R44-Q65 PolarHBondContact O-N 3.24Å; R44-G66 PolarHBondContact N-O 3.37Å; R44-G66 PolarHBondContact O-N 2.87Å; R44-Q68 HydrophobicContact CB-CB 4.35Å; R44-Q68 HydrophobicContact CG-CB 3.9Å
45	F	77.1	Confident	75.7	Confident	114 Å²	114	56 Å²	56	50%	0.5	27%	0.267	S	S	.	.			trans	-93.3	126	163.5	-179	-91.2	0	0	0	106.6	K47 G63	F45-K47 HydrophobicContact CD1-CG 3.95Å; F45-K47 HydrophobicContact CE1-CB 4.48Å; F45-K47 HydrophobicContact CE1-CG 3.9Å; F45-G63 WeakPolarHBondContact CD2-O 3.45Å
46	F	74.8	Confident	74.5	Confident	23 Å²	23	53 Å²	53	10%	0.101	26%	0.258	C	S	.	.			trans	-102.5	114.7	178.3	-59.2	-77.3	0	0	0	107.8	R44 Q48 T50 I59 Q65 Q68 V75	R44-F46 HydrophobicContact CB-CE1 4.05Å; R44-F46 HydrophobicContact CB-CE2 4.19Å; R44-F46 HydrophobicContact CB-CZ 3.81Å; F46-Q48 PolarHBondContact O-N 3Å; F46-T50 WeakPolarHBondContact CB-OG1 3.33Å; F46-T50 HydrophobicContact CD1-CG2 4.12Å; F46-T50 HydrophobicContact CE1-CG2 4.43Å; F46-T50 HydrophobicContact CG-CG2 4.29Å; F46-I59 HydrophobicContact CD2-CG2 4.3Å; F46-I59 HydrophobicContact CE2-CD1 4.4Å; F46-I59 HydrophobicContact CE2-CG2 4.38Å; F46-Q65 HydrophobicContact CD2-CB 4.42Å; F46-Q65 PolarHBondContact O-OE1 2.88Å; F46-Q65 VanDerWaalsContact O-OE1 3.09Å; F46-Q68 HydrophobicContact CE1-CB 4.35Å; F46-Q68 HydrophobicContact CZ-CB 4.2Å; F46-V75 HydrophobicContact CE1-CG1 3.89Å; F46-V75 HydrophobicContact CE1-CG2 3.82Å; F46-V75 HydrophobicContact CE2-CG1 4.07Å; F46-V75 HydrophobicContact CZ-CB 4.42Å; F46-V75 HydrophobicContact CZ-CG1 3.49Å; F46-V75 VanDerWaalsContact CZ-CG1 3.49Å; F46-V75 HydrophobicContact CZ-CG2 4.04Å
47	K	62.4	Low	73.7	Confident	187 Å²	187	56 Å²	56	81%	0.813	27%	0.274	S	S	*	.	S	Bend	trans	-72.9	-17.1	-177.9	-64.7	-178.3	177.5	-178.2	0	112.9	F45	F45-K47 HydrophobicContact CD1-CG 3.95Å; F45-K47 HydrophobicContact CE1-CB 4.48Å; F45-K47 HydrophobicContact CE1-CG 3.9Å
48	Q	67	Low	73.3	Confident	55 Å²	55	54.6 Å²	54.6	26%	0.257	27%	0.268	S	S	.	.	S	Bend	trans	-118.2	154.8	-175.7	-58	178.2	-9.4	0	0	109.5	F46 T50 Y125	F46-Q48 PolarHBondContact O-N 3Å; Q48-T50 PolarHBondContact O-N 2.77Å; Q48-T50 PolarHBondContact O-OG1 3.38Å; Q48-Y125 PolarHBondContact NE2-OH 2.93Å; Q48-Y125 PolarHBondContact OE1-OH 2.88Å
49	P	67.7	Low	72.9	Confident	79 Å²	79	51.8 Å²	51.8	51%	0.513	25%	0.253	S	S	.	.			trans	-54.2	115.1	172.3	-26.6	35.7	0	0	0	111.2	F58	P49-F58 HydrophobicContact CB-CE2 3.69Å; P49-F58 HydrophobicContact CB-CZ 4.35Å
50	T	71.5	Confident	72.1	Confident	4 Å²	4	60.9 Å²	60.9	3%	0.025	29%	0.287	C	S	.	.			trans	-127.3	130.9	-173.7	-55.3	0	0	0	0	109.4	F46 Q48 I59 V75 G121	F46-T50 WeakPolarHBondContact CB-OG1 3.33Å; F46-T50 HydrophobicContact CD1-CG2 4.12Å; F46-T50 HydrophobicContact CE1-CG2 4.43Å; F46-T50 HydrophobicContact CG-CG2 4.29Å; Q48-T50 PolarHBondContact O-N 2.77Å; Q48-T50 PolarHBondContact O-OG1 3.38Å; T50-I59 HydrophobicContact CG2-CD1 4.39Å; T50-I59 VanDerWaalsContact O-CB 3.3Å; T50-I59 WeakPolarHBondContact O-CB 3.32Å; T50-I59 WeakPolarHBondContact O-CG1 3.39Å; T50-I59 PolarHBondContact O-N 2.87Å; T50-V75 HydrophobicContact CG2-CG1 3.74Å; T50-G121 WeakPolarHBondContact CA-O 3.44Å
51	F	75.2	Confident	70.8	Confident	61 Å²	61	58.1 Å²	58.1	27%	0.268	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-99.5	148.6	178.8	-68.2	-96.5	0	0	0	110.8	S53 T56 D57 F58 F116 G121	F51-S53 PolarHBondContact O-N 3.47Å; F51-T56 VanDerWaalsContact CD1-O 3.26Å; F51-T56 WeakPolarHBondContact CD1-O 3.3Å; F51-D57 WeakPolarHBondContact CA-O 3.32Å; F51-F58 HydrophobicContact CD1-CB 4.13Å; F51-F58 HydrophobicContact CE1-CB 3.81Å; F51-F58 HydrophobicContact CE1-CD2 4.22Å; F51-F58 HydrophobicContact CE1-CG 4.48Å; F51-F58 HydrophobicContact CE2-CD2 4.24Å; F51-F58 HydrophobicContact CZ-CB 4.4Å; F51-F58 HydrophobicContact CZ-CD2 4.05Å; F51-F116 HydrophobicContact CD2-CB 4.42Å; F51-F116 AromaticContact CD2-CD1 3.66Å; F51-F116 HydrophobicContact CD2-CD1 3.66Å; F51-F116 HydrophobicContact CD2-CD2 4.08Å; F51-F116 AromaticContact CD2-CE1 3.9Å; F51-F116 HydrophobicContact CD2-CE1 3.9Å; F51-F116 HydrophobicContact CD2-CE2 4.3Å; F51-F116 AromaticContact CD2-CG 3.78Å; F51-F116 HydrophobicContact CD2-CG 3.78Å; F51-F116 HydrophobicContact CD2-CZ 4.22Å; F51-F116 AromaticContact CE2-CD1 3.91Å; F51-F116 HydrophobicContact CE2-CD1 3.91Å; F51-F116 AromaticContact CE2-CD2 3.94Å; F51-F116 HydrophobicContact CE2-CD2 3.94Å; F51-F116 AromaticContact CE2-CE1 3.68Å; F51-F116 HydrophobicContact CE2-CE1 3.68Å; F51-F116 AromaticContact CE2-CE2 3.72Å; F51-F116 HydrophobicContact CE2-CE2 3.72Å; F51-F116 HydrophobicContact CE2-CG 4.05Å; F51-F116 AromaticContact CE2-CZ 3.59Å; F51-F116 HydrophobicContact CE2-CZ 3.59Å; F51-F116 HydrophobicContact CZ-CE2 4.49Å; F51-G121 PolarHBondContact N-O 3.22Å; F51-G121 WeakPolarHBondContact O-CA 3.38Å
52	C	73.4	Confident	68.7	Low	1 Å²	1	68.6 Å²	68.6	1%	0.007	33%	0.331	C	S	.	.			trans	-71.1	121	177.6	176.9	0	0	0	0	110.1	H54 C55 T56 D57 I59 V76 H77	C52-H54 PolarHBondContact O-N 3.48Å; C52-C55 PolarHBondContact SG-N 3.1Å; C52-T56 WeakPolarHBondContact O-CA 3.43Å; C52-T56 PolarHBondContact O-N 3.44Å; C52-D57 PolarHBondContact N-O 2.7Å; C52-I59 HydrophobicContact CB-CD1 4.14Å; C52-I59 HydrophobicContact CB-CG1 3.95Å; C52-V76 VanDerWaalsContact SG-CA 3.59Å; C52-H77 WeakPolarHBondContact CB-CE1 3.1Å; C52-H77 WeakPolarHBondContact CB-ND1 3.13Å; C52-H77 PolarHBondContact SG-N 2.82Å; C52-H77 PolarHBondContact SG-ND1 3.37Å; C52-H77 VanDerWaalsContact SG-ND1 3.37Å
53	S	73	Confident	67.6	Low	20 Å²	20	70.4 Å²	70.4	14%	0.14	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.2	178.1	-62.3	0	0	0	0	114	F51 V75 D118 H119	F51-S53 PolarHBondContact O-N 3.47Å; S53-V75 WeakPolarHBondContact CB-O 3.38Å; S53-V75 PolarHBondContact N-O 3.24Å; S53-V75 PolarHBondContact OG-O 2.88Å; S53-D118 WeakPolarHBondContact CB-O 3.36Å; S53-D118 PolarHBondContact OG-O 3.24Å; S53-D118 VanDerWaalsContact OG-O 3.05Å; S53-H119 PolarHBondContact OG-O 2.76Å
54	H	68.8	Low	66.8	Low	35 Å²	35	74.2 Å²	74.2	16%	0.162	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-54	173.7	177.4	77.6	0	0	0	112.8	C52 V76 C80 F83	C52-H54 PolarHBondContact O-N 3.48Å; H54-V76 HydrophobicContact CB-CG1 3.86Å; H54-C80 HydrophobicContact CB-CB 4.16Å; H54-F83 PolarHBondContact CE1-O 2.95Å; H54-F83 VanDerWaalsContact CE1-O 3.24Å
55	C	58.6	Low	66.4	Low	25 Å²	25	70.9 Å²	70.9	17%	0.169	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-3	-176.1	77.7	0	0	0	0	114.2	C52 D57 H77	C52-C55 PolarHBondContact SG-N 3.1Å; C55-D57 PolarHBondContact O-N 3.4Å; C55-D57 PolarHBondContact SG-OD2 2.95Å; C55-D57 VanDerWaalsContact SG-OD2 3.4Å; C55-H77 PolarHBondContact SG-CE1 3.2Å; C55-H77 PolarHBondContact SG-ND1 3.39Å
56	T	60.1	Low	66.6	Low	69 Å²	69	65.4 Å²	65.4	42%	0.423	33%	0.328	S	S	.	.			trans	61.2	5.3	-178.1	60.9	0	0	0	0	115.9	F51 C52	F51-T56 VanDerWaalsContact CD1-O 3.26Å; F51-T56 WeakPolarHBondContact CD1-O 3.3Å; C52-T56 WeakPolarHBondContact O-CA 3.43Å; C52-T56 PolarHBondContact O-N 3.44Å
57	D	60.8	Low	67.2	Low	89 Å²	89	65 Å²	65	48%	0.476	33%	0.326	S	S	.	.			trans	-85.3	157.7	175.9	-57.3	-43.9	0	0	0	112.5	F51 C52 C55 I59 H77	F51-D57 WeakPolarHBondContact CA-O 3.32Å; C52-D57 PolarHBondContact N-O 2.7Å; C55-D57 PolarHBondContact O-N 3.4Å; C55-D57 PolarHBondContact SG-OD2 2.95Å; C55-D57 VanDerWaalsContact SG-OD2 3.4Å; D57-I59 PolarHBondContact O-N 2.9Å; D57-H77 PolarHBondContact O-CE1 3.46Å
58	F	65.8	Low	68.3	Low	90 Å²	90	58.2 Å²	58.2	40%	0.395	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-60.2	133.2	178.9	-173	-124.9	0	0	0	112.2	P49 F51 W60 H77	P49-F58 HydrophobicContact CB-CE2 3.69Å; P49-F58 HydrophobicContact CB-CZ 4.35Å; F51-F58 HydrophobicContact CD1-CB 4.13Å; F51-F58 HydrophobicContact CE1-CB 3.81Å; F51-F58 HydrophobicContact CE1-CD2 4.22Å; F51-F58 HydrophobicContact CE1-CG 4.48Å; F51-F58 HydrophobicContact CE2-CD2 4.24Å; F51-F58 HydrophobicContact CZ-CB 4.4Å; F51-F58 HydrophobicContact CZ-CD2 4.05Å; F58-W60 HydrophobicContact CD1-CB 3.72Å; F58-W60 HydrophobicContact CD1-CG 4.33Å; F58-W60 HydrophobicContact CE1-CB 3.72Å; F58-H77 PolarHBondContact O-NE2 3.38Å
59	I	70.3	Confident	69.1	Low	3 Å²	3	55.6 Å²	55.6	2%	0.015	29%	0.285	C	S	.	.			trans	-90.3	106.3	175.6	-56.2	-178.6	0	0	0	108.8	F46 T50 C52 D57 Q65 V75	F46-I59 HydrophobicContact CD2-CG2 4.3Å; F46-I59 HydrophobicContact CE2-CD1 4.4Å; F46-I59 HydrophobicContact CE2-CG2 4.38Å; T50-I59 HydrophobicContact CG2-CD1 4.39Å; T50-I59 VanDerWaalsContact O-CB 3.3Å; T50-I59 WeakPolarHBondContact O-CB 3.32Å; T50-I59 WeakPolarHBondContact O-CG1 3.39Å; T50-I59 PolarHBondContact O-N 2.87Å; C52-I59 HydrophobicContact CB-CD1 4.14Å; C52-I59 HydrophobicContact CB-CG1 3.95Å; D57-I59 PolarHBondContact O-N 2.9Å; I59-Q65 HydrophobicContact CG2-CB 3.73Å; I59-Q65 WeakPolarHBondContact CG2-O 3.28Å; I59-V75 HydrophobicContact CD1-CG1 3.39Å
60	W	64.4	Low	69.7	Low	191 Å²	191	56.9 Å²	56.9	72%	0.723	28%	0.284	S	S	*	.			trans	-128.3	159.4	-176.8	68.2	-79.9	0	0	0	112.6	F58	F58-W60 HydrophobicContact CD1-CB 3.72Å; F58-W60 HydrophobicContact CD1-CG 4.33Å; F58-W60 HydrophobicContact CE1-CB 3.72Å
61	G	57	Low	69.9	Low	35 Å²	35	59.1 Å²	59.1	36%	0.361	30%	0.298	S	S	.	.			trans	145.1	164.7	-179.6	0	0	0	0	0	113.8	Q65	G61-Q65 WeakPolarHBondContact O-CG 3.37Å
62	F	44.7	Very low	69.6	Low	220 Å²	220	56.2 Å²	56.2	97%	0.965	29%	0.285	S	S	*	.	S	Bend	trans	-80.1	129.4	175.7	-65.8	-81.8	0	0	0	111.3
63	G	64	Low	69.9	Low	42 Å²	42	58.7 Å²	58.7	43%	0.433	30%	0.302	S	S	.	.	S	Bend	trans	78.3	-147	-178.7	0	0	0	0	0	112.9	F45 Q65	F45-G63 WeakPolarHBondContact CD2-O 3.45Å; G63-Q65 WeakPolarHBondContact O-CG 3.19Å; G63-Q65 PolarHBondContact O-N 3.13Å
64	K	66.4	Low	70.3	Confident	104 Å²	104	58.3 Å²	58.3	45%	0.452	30%	0.298	S	S	.	.	S	Bend	trans	-62.4	102.9	-177.7	-63.2	178.7	177.9	-174.7	0	110.2	A43 R44 K78	A43-K64 HydrophobicContact CB-CB 4.11Å; A43-K64 HydrophobicContact CB-CD 3.51Å; A43-K64 HydrophobicContact CB-CG 4.43Å; A43-K64 WeakPolarHBondContact O-CD 3.39Å; R44-K64 CarbonylContact O-C 3.51Å; R44-K64 VanDerWaalsContact O-C 3.26Å; R44-K64 WeakPolarHBondContact O-CA 3.5Å; R44-K64 WeakPolarHBondContact O-CB 3.17Å; K64-K78 WeakPolarHBondContact O-CE 3.33Å; K64-K78 PolarHBondContact O-NZ 2.83Å
65	Q	70.7	Confident	70.9	Confident	41 Å²	41	56.7 Å²	56.7	19%	0.192	29%	0.29	C	S	.	.			trans	-78	-26.8	-168.7	-62.6	131.6	-35.4	0	0	114	R44 F46 I59 G61 G63	R44-Q65 PolarHBondContact O-N 3.24Å; F46-Q65 HydrophobicContact CD2-CB 4.42Å; F46-Q65 PolarHBondContact O-OE1 2.88Å; F46-Q65 VanDerWaalsContact O-OE1 3.09Å; I59-Q65 HydrophobicContact CG2-CB 3.73Å; I59-Q65 WeakPolarHBondContact CG2-O 3.28Å; G61-Q65 WeakPolarHBondContact O-CG 3.37Å; G63-Q65 WeakPolarHBondContact O-CG 3.19Å; G63-Q65 PolarHBondContact O-N 3.13Å
66	G	82.6	Confident	71.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-172.2	-176.9	0	0	0	0	0	113.9	A43 R44	A43-G66 WeakPolarHBondContact CA-O 3.41Å; R44-G66 PolarHBondContact N-O 3.37Å; R44-G66 PolarHBondContact O-N 2.87Å
67	F	86.4	Confident	72.5	Confident	15 Å²	15	52.7 Å²	52.7	7%	0.066	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.5	177.8	-75.9	-42.9	0	0	0	110.8	H34 F41 I42 A43 V75 V76 K78 H81	H34-F67 AromaticContact CD2-CE1 3.81Å; H34-F67 AromaticContact CD2-CZ 3.61Å; H34-F67 AromaticContact NE2-CZ 3.65Å; F41-F67 HydrophobicContact CB-CB 4.01Å; F41-F67 HydrophobicContact CB-CG 4.22Å; F41-F67 HydrophobicContact CD1-CB 3.97Å; F41-F67 HydrophobicContact CG-CB 4.24Å; I42-F67 WeakPolarHBondContact O-CA 3.47Å; A43-F67 HydrophobicContact CB-CD1 4Å; A43-F67 HydrophobicContact CB-CE1 3.73Å; F67-V75 WeakPolarHBondContact O-CA 3.14Å; F67-V76 HydrophobicContact CB-CG2 4.04Å; F67-V76 PolarHBondContact N-O 2.57Å; F67-V76 PolarHBondContact O-N 3.38Å; F67-K78 HydrophobicContact CD2-CB 4.21Å; F67-K78 HydrophobicContact CD2-CG 4.17Å; F67-K78 HydrophobicContact CE1-CG 4.49Å; F67-K78 HydrophobicContact CE2-CB 3.99Å; F67-K78 HydrophobicContact CE2-CG 4.03Å; F67-K78 HydrophobicContact CG-CG 4.45Å; F67-K78 HydrophobicContact CZ-CG 4.2Å; F67-H81 HydrophobicContact CD2-CB 3.73Å; F67-H81 AromaticContact CD2-CD2 3.88Å; F67-H81 AromaticContact CD2-CG 3.45Å; F67-H81 VanDerWaalsContact CD2-CG 3.45Å; F67-H81 AromaticContact CD2-ND1 3.58Å; F67-H81 AromaticContact CE2-CD2 3.9Å; F67-H81 AromaticContact CE2-CE1 3.54Å; F67-H81 AromaticContact CE2-CG 3.74Å; F67-H81 AromaticContact CE2-ND1 3.51Å; F67-H81 AromaticContact CE2-NE2 3.75Å
68	Q	85.8	Confident	73.4	Confident	44 Å²	44	53.3 Å²	53.3	21%	0.206	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.5	171.9	-175.4	179.5	26.8	0	0	108.9	I42 R44 F46 Q70 F74 V75	I42-Q68 WeakPolarHBondContact CG1-O 3.1Å; I42-Q68 PolarHBondContact N-O 3.2Å; I42-Q68 PolarHBondContact O-N 3.4Å; R44-Q68 HydrophobicContact CB-CB 4.35Å; R44-Q68 HydrophobicContact CG-CB 3.9Å; F46-Q68 HydrophobicContact CE1-CB 4.35Å; F46-Q68 HydrophobicContact CZ-CB 4.2Å; Q68-Q70 PolarHBondContact O-N 2.77Å; Q68-F74 WeakPolarHBondContact CA-O 3.4Å; Q68-V75 HydrophobicContact CB-CG2 4.14Å; Q68-V75 HydrophobicContact CG-CG2 3.82Å
69	C	83.8	Confident	73.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127.2	172	-178.4	0	0	0	0	109.5	H39 K40 F41 V71 C72 C73 F74	H39-C69 HydrophobicContact CB-CB 4.32Å; K40-C69 PolarHBondContact N-SG 3.38Å; K40-C69 CarbonylContact O-C 3.56Å; K40-C69 WeakPolarHBondContact O-CA 3.41Å; F41-C69 HydrophobicContact CD1-CB 4Å; F41-C69 HydrophobicContact CE1-CB 3.82Å; F41-C69 HydrophobicContact CZ-CB 4.48Å; C69-V71 PolarHBondContact O-N 3.44Å; C69-V71 PolarHBondContact SG-N 3.02Å; C69-C72 VanDerWaalsContact SG-SG 3.62Å; C69-C73 VanDerWaalsContact O-CA 3.22Å; C69-C73 WeakPolarHBondContact O-CA 3.36Å; C69-C73 PolarHBondContact O-N 3.18Å; C69-C73 VanDerWaalsContact O-N 3.07Å; C69-F74 HydrophobicContact CB-CB 4.21Å; C69-F74 PolarHBondContact N-O 3.28Å
70	Q	80.3	Confident	73.6	Confident	105 Å²	105	54.6 Å²	54.6	49%	0.491	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.3	178.6	-65.4	-171.5	-74.4	0	0	113.6	K40 I42 Q68	K40-Q70 PolarHBondContact O-N 3.46Å; I42-Q70 HydrophobicContact CB-CG 4.24Å; I42-Q70 HydrophobicContact CD1-CG 3.65Å; I42-Q70 HydrophobicContact CG1-CG 3.59Å; I42-Q70 VanDerWaalsContact CG2-CD 3.44Å; I42-Q70 HydrophobicContact CG2-CG 3.68Å; Q68-Q70 PolarHBondContact O-N 2.77Å
71	V	74.8	Confident	74	Confident	51 Å²	51	46 Å²	46	31%	0.309	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-60.7	-172.2	-179.2	0	0	0	0	110.5	K40 C69 G90	K40-V71 HydrophobicContact CB-CG2 4.38Å; K40-V71 HydrophobicContact CD-CG2 4.33Å; K40-V71 HydrophobicContact CG-CG2 4.5Å; C69-V71 PolarHBondContact O-N 3.44Å; C69-V71 PolarHBondContact SG-N 3.02Å; V71-G90 WeakPolarHBondContact CG1-O 3.49Å
72	C	69	Low	74.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	1.5	-176.2	65	0	0	0	0	114	H39 C69 F74 P89 H119 N148	H39-C72 PolarHBondContact CE1-SG 3.48Å; H39-C72 PolarHBondContact ND1-SG 3.06Å; C69-C72 VanDerWaalsContact SG-SG 3.62Å; C72-F74 PolarHBondContact O-N 2.94Å; C72-F74 VanDerWaalsContact SG-CB 3.51Å; C72-P89 HydrophobicContact CB-CG 4.17Å; C72-H119 PolarHBondContact O-NE2 2.82Å; C72-N148 HydrophobicContact CB-CB 4.3Å
73	C	79.6	Confident	75.9	Confident	54 Å²	54	42.5 Å²	42.5	37%	0.365	21%	0.21	S	C	.	.			trans	63.2	12.2	-176	-60.9	0	0	0	0	115.7	C69 V75	C69-C73 VanDerWaalsContact O-CA 3.22Å; C69-C73 WeakPolarHBondContact O-CA 3.36Å; C69-C73 PolarHBondContact O-N 3.18Å; C69-C73 VanDerWaalsContact O-N 3.07Å; C73-V75 WeakPolarHBondContact O-CG2 3.4Å; C73-V75 PolarHBondContact O-N 3.3Å
74	F	81.6	Confident	76.1	Confident	11 Å²	11	40.7 Å²	40.7	5%	0.048	19%	0.191	C	C	.	.			trans	-59.2	127	175.8	-167.2	-112	0	0	0	111.1	F41 Q68 C69 C72 V76 V84 F86 H119	F41-F74 HydrophobicContact CE1-CD1 4.19Å; F41-F74 HydrophobicContact CZ-CD1 4.03Å; Q68-F74 WeakPolarHBondContact CA-O 3.4Å; C69-F74 HydrophobicContact CB-CB 4.21Å; C69-F74 PolarHBondContact N-O 3.28Å; C72-F74 PolarHBondContact O-N 2.94Å; C72-F74 VanDerWaalsContact SG-CB 3.51Å; F74-V76 HydrophobicContact CD1-CG1 3.78Å; F74-V76 HydrophobicContact CE1-CG1 3.41Å; F74-V76 VanDerWaalsContact CE1-CG1 3.41Å; F74-V76 HydrophobicContact CZ-CG1 4.24Å; F74-V84 HydrophobicContact CD1-CG2 4.4Å; F74-V84 HydrophobicContact CE1-CG1 4.15Å; F74-V84 HydrophobicContact CE1-CG2 3.82Å; F74-F86 HydrophobicContact CD1-CZ 4.35Å; F74-F86 HydrophobicContact CD2-CZ 4.05Å; F74-F86 HydrophobicContact CE1-CE1 4.22Å; F74-F86 HydrophobicContact CE1-CZ 4.1Å; F74-F86 HydrophobicContact CE2-CE1 4.15Å; F74-F86 AromaticContact CE2-CZ 3.77Å; F74-F86 HydrophobicContact CE2-CZ 3.77Å; F74-F86 HydrophobicContact CG-CZ 4.33Å; F74-F86 AromaticContact CZ-CE1 3.83Å; F74-F86 HydrophobicContact CZ-CE1 3.83Å; F74-F86 AromaticContact CZ-CZ 3.81Å; F74-F86 HydrophobicContact CZ-CZ 3.81Å; F74-H119 WeakPolarHBondContact CA-O 3.39Å; F74-H119 AromaticContact CD2-CE1 3.97Å; F74-H119 AromaticContact CD2-ND1 3.77Å; F74-H119 WeakPolarHBondContact CD2-O 3.41Å
75	V	82	Confident	75.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.8	-173.2	172.3	0	0	0	0	110.9	F46 T50 S53 I59 F67 Q68 C73 C120	F46-V75 HydrophobicContact CE1-CG1 3.89Å; F46-V75 HydrophobicContact CE1-CG2 3.82Å; F46-V75 HydrophobicContact CE2-CG1 4.07Å; F46-V75 HydrophobicContact CZ-CB 4.42Å; F46-V75 HydrophobicContact CZ-CG1 3.49Å; F46-V75 VanDerWaalsContact CZ-CG1 3.49Å; F46-V75 HydrophobicContact CZ-CG2 4.04Å; T50-V75 HydrophobicContact CG2-CG1 3.74Å; S53-V75 WeakPolarHBondContact CB-O 3.38Å; S53-V75 PolarHBondContact N-O 3.24Å; S53-V75 PolarHBondContact OG-O 2.88Å; I59-V75 HydrophobicContact CD1-CG1 3.39Å; F67-V75 WeakPolarHBondContact O-CA 3.14Å; Q68-V75 HydrophobicContact CB-CG2 4.14Å; Q68-V75 HydrophobicContact CG-CG2 3.82Å; C73-V75 WeakPolarHBondContact O-CG2 3.4Å; C73-V75 PolarHBondContact O-N 3.3Å; V75-C120 WeakPolarHBondContact CB-O 3.47Å; V75-C120 VanDerWaalsContact CG2-O 3.26Å; V75-C120 WeakPolarHBondContact CG2-O 3.38Å
76	V	78.7	Confident	75.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.9	-178.8	-67.9	0	0	0	0	111.1	F41 C52 H54 F67 F74 C80 H81 V84	F41-V76 HydrophobicContact CD1-CG2 4.06Å; F41-V76 HydrophobicContact CE1-CG2 3.67Å; F41-V76 HydrophobicContact CZ-CG2 4.07Å; C52-V76 VanDerWaalsContact SG-CA 3.59Å; H54-V76 HydrophobicContact CB-CG1 3.86Å; F67-V76 HydrophobicContact CB-CG2 4.04Å; F67-V76 PolarHBondContact N-O 2.57Å; F67-V76 PolarHBondContact O-N 3.38Å; F74-V76 HydrophobicContact CD1-CG1 3.78Å; F74-V76 HydrophobicContact CE1-CG1 3.41Å; F74-V76 VanDerWaalsContact CE1-CG1 3.41Å; F74-V76 HydrophobicContact CZ-CG1 4.24Å; V76-C80 HydrophobicContact CB-CB 4.06Å; V76-H81 HydrophobicContact CG2-CB 3.58Å; V76-V84 HydrophobicContact CG1-CG2 4.22Å
77	H	74.4	Confident	74.9	Confident	11 Å²	11	41.4 Å²	41.4	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	157.3	166	-63.4	105.1	0	0	0	110.5	C52 C55 D57 F58 R79 C80 H81	C52-H77 WeakPolarHBondContact CB-CE1 3.1Å; C52-H77 WeakPolarHBondContact CB-ND1 3.13Å; C52-H77 PolarHBondContact SG-N 2.82Å; C52-H77 PolarHBondContact SG-ND1 3.37Å; C52-H77 VanDerWaalsContact SG-ND1 3.37Å; C55-H77 PolarHBondContact SG-CE1 3.2Å; C55-H77 PolarHBondContact SG-ND1 3.39Å; D57-H77 PolarHBondContact O-CE1 3.46Å; F58-H77 PolarHBondContact O-NE2 3.38Å; H77-R79 HydrophobicContact CB-CG 3.8Å; H77-R79 PolarHBondContact O-N 2.71Å; H77-C80 HydrophobicContact CB-CB 4.08Å; H77-C80 PolarHBondContact O-N 2.82Å; H77-H81 PolarHBondContact O-N 2.86Å
78	K	78.3	Confident	74.1	Confident	101 Å²	101	40.7 Å²	40.7	44%	0.439	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.8	170.5	-67	-177.3	-172.7	162.4	0	112.7	K64 F67 H81	K64-K78 WeakPolarHBondContact O-CE 3.33Å; K64-K78 PolarHBondContact O-NZ 2.83Å; F67-K78 HydrophobicContact CD2-CB 4.21Å; F67-K78 HydrophobicContact CD2-CG 4.17Å; F67-K78 HydrophobicContact CE1-CG 4.49Å; F67-K78 HydrophobicContact CE2-CB 3.99Å; F67-K78 HydrophobicContact CE2-CG 4.03Å; F67-K78 HydrophobicContact CG-CG 4.45Å; F67-K78 HydrophobicContact CZ-CG 4.2Å; K78-H81 PolarHBondContact O-CE1 2.88Å; K78-H81 PolarHBondContact O-ND1 2.83Å
79	R	72.4	Confident	73.2	Confident	113 Å²	113	41.1 Å²	41.1	43%	0.426	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-25.3	175.2	68.3	-169.8	176	-156.2	0.9	113.8	H77 F83 P187	H77-R79 HydrophobicContact CB-CG 3.8Å; H77-R79 PolarHBondContact O-N 2.71Å; R79-F83 WeakPolarHBondContact O-CD2 3.27Å; R79-F83 WeakPolarHBondContact O-CE2 3.34Å; R79-P187 HydrophobicContact CG-CG 4.45Å
80	C	68.1	Low	72	Confident	7 Å²	7	42.9 Å²	42.9	5%	0.047	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.8	-171.8	-67.2	0	0	0	0	114.1	H54 V76 H77 E82 F83	H54-C80 HydrophobicContact CB-CB 4.16Å; V76-C80 HydrophobicContact CB-CB 4.06Å; H77-C80 HydrophobicContact CB-CB 4.08Å; H77-C80 PolarHBondContact O-N 2.82Å; C80-E82 VanDerWaalsContact C-N 3.32Å; C80-E82 PolarHBondContact O-N 3.22Å; C80-F83 PolarHBondContact O-N 3.26Å
81	H	74.3	Confident	70.9	Confident	12 Å²	12	39.1 Å²	39.1	6%	0.056	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-65.5	-29	-171.8	78.8	-63.6	0	0	0	115	H34 V36 F41 F67 V76 H77 K78 F83 V84	H34-H81 AromaticContact CG-NE2 3.86Å; H34-H81 AromaticContact ND1-NE2 3.61Å; V36-H81 WeakPolarHBondContact CG1-O 3.46Å; F41-H81 HydrophobicContact CD2-CB 3.98Å; F41-H81 HydrophobicContact CE2-CB 4.14Å; F41-H81 HydrophobicContact CG-CB 4.26Å; F67-H81 HydrophobicContact CD2-CB 3.73Å; F67-H81 AromaticContact CD2-CD2 3.88Å; F67-H81 AromaticContact CD2-CG 3.45Å; F67-H81 VanDerWaalsContact CD2-CG 3.45Å; F67-H81 AromaticContact CD2-ND1 3.58Å; F67-H81 AromaticContact CE2-CD2 3.9Å; F67-H81 AromaticContact CE2-CE1 3.54Å; F67-H81 AromaticContact CE2-CG 3.74Å; F67-H81 AromaticContact CE2-ND1 3.51Å; F67-H81 AromaticContact CE2-NE2 3.75Å; V76-H81 HydrophobicContact CG2-CB 3.58Å; H77-H81 PolarHBondContact O-N 2.86Å; K78-H81 PolarHBondContact O-CE1 2.88Å; K78-H81 PolarHBondContact O-ND1 2.83Å; H81-F83 VanDerWaalsContact C-N 3.28Å; H81-V84 WeakPolarHBondContact O-CG2 3.36Å
82	E	74.1	Confident	69.7	Low	132 Å²	132	45 Å²	45	62%	0.617	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-75.2	-19.6	178.3	-65.1	-179.4	179.1	0	0	112.6	C80	C80-E82 VanDerWaalsContact C-N 3.32Å; C80-E82 PolarHBondContact O-N 3.22Å
83	F	66.8	Low	68.7	Low	49 Å²	49	51.5 Å²	51.5	22%	0.215	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-94.7	9.1	-177.5	-53.3	-63.9	0	0	0	113.3	H54 R79 C80 H81 T85 L221	H54-F83 PolarHBondContact CE1-O 2.95Å; H54-F83 VanDerWaalsContact CE1-O 3.24Å; R79-F83 WeakPolarHBondContact O-CD2 3.27Å; R79-F83 WeakPolarHBondContact O-CE2 3.34Å; C80-F83 PolarHBondContact O-N 3.26Å; H81-F83 VanDerWaalsContact C-N 3.28Å; F83-T85 PolarHBondContact O-N 3.24Å; F83-L221 HydrophobicContact CZ-CD1 3.96Å
84	V	67.4	Low	67.2	Low	3 Å²	3	51.8 Å²	51.8	2%	0.018	28%	0.284	C	S	.	.			trans	-70.7	116.7	174.4	-179.7	0	0	0	0	108.9	K37 F41 F74 V76 H81 F86	K37-V84 WeakPolarHBondContact CG-O 3.34Å; F41-V84 HydrophobicContact CE2-CG2 4.33Å; F41-V84 HydrophobicContact CZ-CG2 4.06Å; F74-V84 HydrophobicContact CD1-CG2 4.4Å; F74-V84 HydrophobicContact CE1-CG1 4.15Å; F74-V84 HydrophobicContact CE1-CG2 3.82Å; V76-V84 HydrophobicContact CG1-CG2 4.22Å; H81-V84 WeakPolarHBondContact O-CG2 3.36Å; V84-F86 HydrophobicContact CG1-CD1 4.03Å; V84-F86 HydrophobicContact CG1-CE1 3.87Å; V84-F86 HydrophobicContact CG1-CZ 4.26Å
85	T	62	Low	65	Low	80 Å²	80	58 Å²	58	49%	0.491	33%	0.326	S	S	.	.			trans	-91.2	-15.9	-169.9	52.5	0	0	0	0	114.3	F83	F83-T85 PolarHBondContact O-N 3.24Å
86	F	63.8	Low	63.1	Low	39 Å²	39	62.4 Å²	62.4	17%	0.171	36%	0.362	C	S	.	.	S	Bend	trans	-107	156.6	-179.2	68	-86.7	0	0	0	111.7	K37 H39 F74 V84 P150 L152	K37-F86 VanDerWaalsContact CB-O 3.26Å; K37-F86 WeakPolarHBondContact CB-O 3.4Å; H39-F86 AromaticContact CE1-CE2 3.74Å; H39-F86 AromaticContact NE2-CD2 3.89Å; H39-F86 AromaticContact NE2-CE2 3.5Å; F74-F86 HydrophobicContact CD1-CZ 4.35Å; F74-F86 HydrophobicContact CD2-CZ 4.05Å; F74-F86 HydrophobicContact CE1-CE1 4.22Å; F74-F86 HydrophobicContact CE1-CZ 4.1Å; F74-F86 HydrophobicContact CE2-CE1 4.15Å; F74-F86 AromaticContact CE2-CZ 3.77Å; F74-F86 HydrophobicContact CE2-CZ 3.77Å; F74-F86 HydrophobicContact CG-CZ 4.33Å; F74-F86 AromaticContact CZ-CE1 3.83Å; F74-F86 HydrophobicContact CZ-CE1 3.83Å; F74-F86 AromaticContact CZ-CZ 3.81Å; F74-F86 HydrophobicContact CZ-CZ 3.81Å; V84-F86 HydrophobicContact CG1-CD1 4.03Å; V84-F86 HydrophobicContact CG1-CE1 3.87Å; V84-F86 HydrophobicContact CG1-CZ 4.26Å; F86-P150 HydrophobicContact CD2-CB 4.2Å; F86-P150 HydrophobicContact CD2-CG 3.91Å; F86-P150 HydrophobicContact CE2-CG 3.92Å; F86-P150 HydrophobicContact CG-CG 4.41Å; F86-P150 HydrophobicContact CZ-CG 4.43Å; F86-L152 HydrophobicContact CB-CD1 4.04Å
87	S	69.9	Low	61.6	Low	41 Å²	41	67.1 Å²	67.1	29%	0.287	40%	0.395	S	S	.	.			trans	-80.6	147.2	176.6	-78.7	0	0	0	0	113	K37 D38 P89 K93	K37-S87 CarbonylContact O-C 3.48Å; K37-S87 WeakPolarHBondContact O-CA 3.46Å; D38-S87 WeakPolarHBondContact OD2-CB 3.44Å; D38-S87 PolarHBondContact OD2-OG 3.17Å; S87-P89 WeakPolarHBondContact O-CD 3.2Å; S87-P89 VanDerWaalsContact O-N 3.12Å; S87-K93 PolarHBondContact OG-NZ 2.9Å
88	C	69.3	Low	60.1	Low	0 Å²	0	72.5 Å²	72.5	0%	0	42%	0.424	C	S	.	.			trans	-55	118.4	178	-178.1	0	0	0	0	111.1	K37 D38 H39 G90 A91	K37-C88 PolarHBondContact O-N 2.95Å; D38-C88 HydrophobicContact CB-CB 4.09Å; D38-C88 WeakPolarHBondContact O-CB 3.27Å; H39-C88 HydrophobicContact CB-CB 4.26Å; H39-C88 PolarHBondContact CD2-N 3.41Å; H39-C88 VanDerWaalsContact NE2-CA 3.33Å; H39-C88 WeakPolarHBondContact NE2-CA 3.39Å; H39-C88 PolarHBondContact NE2-N 3.45Å; C88-G90 PolarHBondContact O-N 3.29Å; C88-A91 HydrophobicContact CB-CB 4.08Å; C88-A91 PolarHBondContact O-N 2.74Å; C88-A91 VanDerWaalsContact O-N 3.14Å
89	P	66.6	Low	58.7	Low	53 Å²	53	70.9 Å²	70.9	34%	0.344	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.9	-175.8	24.5	-31.6	0	0	0	113.1	C72 S87 N148	C72-P89 HydrophobicContact CB-CG 4.17Å; S87-P89 WeakPolarHBondContact O-CD 3.2Å; S87-P89 VanDerWaalsContact O-N 3.12Å; P89-N148 WeakPolarHBondContact CG-O 3.35Å
90	G	59.6	Low	57.6	Low	38 Å²	38	70.4 Å²	70.4	39%	0.392	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	3.6	174.8	0	0	0	0	0	114.7	V71 C88	V71-G90 WeakPolarHBondContact CG1-O 3.49Å; C88-G90 PolarHBondContact O-N 3.29Å
91	A	56.8	Low	56.7	Low	26 Å²	26	78.4 Å²	78.4	22%	0.215	46%	0.461	C	S	.	.	S	Bend	trans	-86.6	124.7	167.5	0	0	0	0	0	107.4	D38 C88 K93	D38-A91 HydrophobicContact CB-CB 3.71Å; C88-A91 HydrophobicContact CB-CB 4.08Å; C88-A91 PolarHBondContact O-N 2.74Å; C88-A91 VanDerWaalsContact O-N 3.14Å; A91-K93 PolarHBondContact O-N 2.84Å
92	D	49.6	Very low	55.7	Low	175 Å²	175	79.2 Å²	79.2	94%	0.936	47%	0.47	S	S	*	.			trans	-44.2	110.3	-174.5	-75.1	-39.6	0	0	0	112.4
93	K	46.8	Very low	55.3	Low	135 Å²	135	77.1 Å²	77.1	59%	0.587	46%	0.459	S	S	*	.			trans	-120.1	124.9	166.5	-64	-162.9	-177	-153.1	0	108.1	D38 S87 A91	D38-K93 VanDerWaalsContact OD2-CE 3.29Å; D38-K93 WeakPolarHBondContact OD2-CE 3.26Å; D38-K93 IonicContact OD2-NZ 2.67Å; D38-K93 PolarHBondContact OD2-NZ 2.84Å; S87-K93 PolarHBondContact OG-NZ 2.9Å; A91-K93 PolarHBondContact O-N 2.84Å
94	G	48.2	Very low	55.3	Low	60 Å²	60	76.2 Å²	76.2	62%	0.619	46%	0.455	S	S	*	.			trans	-60.4	-166.6	178.6	0	0	0	0	0	114.2	A96	G94-A96 PolarHBondContact O-N 2.76Å
95	P	35.1	Very low	55.9	Low	142 Å²	142	82.1 Å²	82.1	92%	0.922	48%	0.481	S	S	*	.	S	Bend	trans	-72.4	18.9	-159.2	-15.5	30.1	0	0	0	117.3
96	A	43.9	Very low	57	Low	94 Å²	94	80 Å²	80	78%	0.777	46%	0.464	S	S	*	.			trans	-119.1	84	-171.1	0	0	0	0	0	112.2	G94	G94-A96 PolarHBondContact O-N 2.76Å
97	S	46.5	Very low	57.8	Low	98 Å²	98	83.1 Å²	83.1	69%	0.685	48%	0.478	S	S	*	.			trans	-173.4	54.9	146.1	53.2	0	0	0	0	111	D99	S97-D99 PolarHBondContact O-N 2.99Å
98	D	43.5	Very low	58.3	Low	124 Å²	124	85.8 Å²	85.8	66%	0.663	49%	0.488	S	S	*	.			trans	-95.3	77.3	171.8	-90.3	-37	0	0	0	110.4	P100 K103	D98-P100 WeakPolarHBondContact O-CD 3.3Å; D98-K103 WeakPolarHBondContact OD1-CE 3.32Å; D98-K103 IonicContact OD1-NZ 3.28Å; D98-K103 PolarHBondContact OD1-NZ 3.17Å
99	D	47.8	Very low	58.2	Low	67 Å²	67	88 Å²	88	36%	0.358	50%	0.498	S	S	.	.			trans	-94.2	109.7	150.6	-167.4	-29.4	0	0	0	108.2	S97 R101 A102	S97-D99 PolarHBondContact O-N 2.99Å; D99-R101 PolarHBondContact O-N 3.09Å; D99-R101 WeakPolarHBondContact OD1-CB 3.34Å; D99-R101 IonicContact OD1-CZ 3.33Å; D99-R101 PolarHBondContact OD1-N 3.3Å; D99-R101 IonicContact OD1-NE 2.78Å; D99-R101 PolarHBondContact OD1-NE 3.16Å; D99-R101 VanDerWaalsContact OD1-NE 3.12Å; D99-R101 IonicContact OD1-NH2 3.12Å; D99-R101 IonicContact OD2-CZ 3.68Å; D99-R101 IonicContact OD2-NE 3.79Å; D99-R101 IonicContact OD2-NH2 3.76Å; D99-R101 PolarHBondContact OD2-NH2 3.36Å; D99-A102 PolarHBondContact O-N 3.41Å
100	P	48.6	Very low	58.3	Low	103 Å²	103	87 Å²	87	67%	0.669	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-10	179.7	15.7	-21.9	0	0	0	114.5	D98	D98-P100 WeakPolarHBondContact O-CD 3.3Å
101	R	49.4	Very low	58.6	Low	176 Å²	176	86 Å²	86	66%	0.664	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-12.5	179.2	-62.7	170.5	-69	-179.3	4.1	114.3	D99	D99-R101 PolarHBondContact O-N 3.09Å; D99-R101 WeakPolarHBondContact OD1-CB 3.34Å; D99-R101 IonicContact OD1-CZ 3.33Å; D99-R101 PolarHBondContact OD1-N 3.3Å; D99-R101 IonicContact OD1-NE 2.78Å; D99-R101 PolarHBondContact OD1-NE 3.16Å; D99-R101 VanDerWaalsContact OD1-NE 3.12Å; D99-R101 IonicContact OD1-NH2 3.12Å; D99-R101 IonicContact OD2-CZ 3.68Å; D99-R101 IonicContact OD2-NE 3.79Å; D99-R101 IonicContact OD2-NH2 3.76Å; D99-R101 PolarHBondContact OD2-NH2 3.36Å
102	A	54	Low	58.3	Low	29 Å²	29	88.1 Å²	88.1	24%	0.24	49%	0.489	C	S	.	.	S	Bend	trans	-97.2	2.9	177.2	0	0	0	0	0	113.2	D99 N151 L152 C153	D99-A102 PolarHBondContact O-N 3.41Å; A102-N151 WeakPolarHBondContact CB-O 3.3Å; A102-N151 CarbonylContact O-C 3.58Å; A102-N151 VanDerWaalsContact O-O 3.1Å; A102-L152 PolarHBondContact O-N 3.12Å; A102-C153 VanDerWaalsContact O-CB 3.28Å; A102-C153 WeakPolarHBondContact O-CB 3.22Å; A102-C153 PolarHBondContact O-N 3.08Å
103	K	65.3	Low	58.4	Low	88 Å²	88	82 Å²	82	38%	0.383	46%	0.46	S	S	.	.	S	Bend	trans	-81.5	135	-178.8	-64.8	-171.4	179.1	179.3	0	111.2	D98 K105 N151 C153	D98-K103 WeakPolarHBondContact OD1-CE 3.32Å; D98-K103 IonicContact OD1-NZ 3.28Å; D98-K103 PolarHBondContact OD1-NZ 3.17Å; K103-K105 PolarHBondContact O-N 3.39Å; K103-N151 HydrophobicContact CG-CB 4.22Å; K103-C153 WeakPolarHBondContact O-CB 3.21Å
104	H	67.9	Low	59	Low	30 Å²	30	80.8 Å²	80.8	14%	0.139	47%	0.466	C	S	.	.			trans	-67.9	128.6	173.1	-71.3	-86.6	0	0	0	110.2	F106 C134 C137 P150 C153	H104-F106 HydrophobicContact CB-CD2 3.55Å; H104-F106 HydrophobicContact CB-CE1 4.27Å; H104-F106 HydrophobicContact CB-CE2 3.1Å; H104-F106 HydrophobicContact CB-CG 4.3Å; H104-F106 HydrophobicContact CB-CZ 3.48Å; H104-F106 VanDerWaalsContact CB-CZ 3.48Å; H104-F106 AromaticContact CG-CE2 3.65Å; H104-F106 AromaticContact CG-CZ 3.6Å; H104-F106 AromaticContact ND1-CZ 3.86Å; H104-F106 PolarHBondContact O-N 2.87Å; H104-C134 PolarHBondContact ND1-SG 3.2Å; H104-C134 VanDerWaalsContact ND1-SG 3.38Å; H104-C137 PolarHBondContact CE1-SG 3.25Å; H104-C137 PolarHBondContact ND1-SG 3.28Å; H104-P150 PolarHBondContact CD2-O 3.19Å; H104-P150 VanDerWaalsContact CD2-O 3.25Å; H104-P150 PolarHBondContact NE2-O 3.4Å; H104-C153 HydrophobicContact CB-CB 4.24Å
105	K	80.2	Confident	59.8	Low	127 Å²	127	79 Å²	79	55%	0.552	44%	0.443	S	S	*	.			trans	-92.9	83	170.2	-168.9	175	-176.6	175	0	109.5	K103 C134 D135	K103-K105 PolarHBondContact O-N 3.39Å; K105-C134 WeakPolarHBondContact O-CA 3.04Å; K105-D135 HydrophobicContact CB-CB 4.47Å; K105-D135 PolarHBondContact O-N 3.17Å
106	F	83.3	Confident	61.7	Low	34 Å²	34	75.1 Å²	75.1	15%	0.149	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.1	178.2	-72.9	-64.9	0	0	0	111.4	H104 M132 R133 C134 M139 I141 V146 V149	H104-F106 HydrophobicContact CB-CD2 3.55Å; H104-F106 HydrophobicContact CB-CE1 4.27Å; H104-F106 HydrophobicContact CB-CE2 3.1Å; H104-F106 HydrophobicContact CB-CG 4.3Å; H104-F106 HydrophobicContact CB-CZ 3.48Å; H104-F106 VanDerWaalsContact CB-CZ 3.48Å; H104-F106 AromaticContact CG-CE2 3.65Å; H104-F106 AromaticContact CG-CZ 3.6Å; H104-F106 AromaticContact ND1-CZ 3.86Å; H104-F106 PolarHBondContact O-N 2.87Å; F106-M132 HydrophobicContact CB-CB 4.06Å; F106-M132 HydrophobicContact CB-CE 3.89Å; F106-M132 HydrophobicContact CD1-CB 4.15Å; F106-M132 HydrophobicContact CG-CB 4.37Å; F106-R133 WeakPolarHBondContact CA-O 3.26Å; F106-C134 HydrophobicContact CD1-CB 3.92Å; F106-C134 HydrophobicContact CE1-CB 3.66Å; F106-C134 HydrophobicContact CZ-CB 4.36Å; F106-M139 HydrophobicContact CE1-CB 4.41Å; F106-M139 HydrophobicContact CZ-SD 4.2Å; F106-I141 HydrophobicContact CD1-CD1 3.73Å; F106-I141 HydrophobicContact CD1-CG1 3.87Å; F106-I141 HydrophobicContact CD2-CD1 3.84Å; F106-I141 HydrophobicContact CE1-CD1 3.38Å; F106-I141 HydrophobicContact CE1-CG1 3.6Å; F106-I141 HydrophobicContact CE1-CG2 4.44Å; F106-I141 HydrophobicContact CE2-CD1 3.45Å; F106-I141 VanDerWaalsContact CE2-CD1 3.45Å; F106-I141 HydrophobicContact CG-CD1 3.98Å; F106-I141 HydrophobicContact CZ-CD1 3.25Å; F106-I141 HydrophobicContact CZ-CG1 3.99Å; F106-V146 HydrophobicContact CD2-CG1 4.02Å; F106-V149 HydrophobicContact CE2-CG1 4.18Å; F106-V149 HydrophobicContact CZ-CG1 4.08Å
107	K	81.1	Confident	63.3	Low	105 Å²	105	70.7 Å²	70.7	46%	0.457	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.7	168.4	-72.5	-174	-178	144.5	0	109.8	H109 M132 R133 D135	K107-H109 PolarHBondContact O-N 2.99Å; K107-M132 CarbonylContact O-C 2.99Å; K107-M132 WeakPolarHBondContact O-CA 3.44Å; K107-R133 PolarHBondContact N-O 3.42Å; K107-R133 PolarHBondContact O-N 3.18Å; K107-D135 WeakPolarHBondContact CD-OD1 3.36Å; K107-D135 WeakPolarHBondContact CE-OD2 3.41Å; K107-D135 IonicContact NZ-OD1 2.99Å; K107-D135 PolarHBondContact NZ-OD1 3.24Å; K107-D135 IonicContact NZ-OD2 2.94Å; K107-D135 PolarHBondContact NZ-OD2 3.2Å
108	I	81.7	Confident	64.6	Low	98 Å²	98	69 Å²	69	50%	0.503	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	130.8	170.2	-62.9	171.1	0	0	0	108	H129 M132	I108-H129 HydrophobicContact CG2-CB 3.48Å; I108-H129 VanDerWaalsContact CG2-CB 3.48Å; I108-H129 VanDerWaalsContact CG2-CG 3.44Å; I108-M132 HydrophobicContact CB-SD 4.22Å; I108-M132 HydrophobicContact CG1-CE 4.39Å; I108-M132 HydrophobicContact CG1-SD 3.5Å; I108-M132 WeakPolarHBondContact CG1-SD 3.19Å
109	H	66.4	Low	66	Low	45 Å²	45	63.1 Å²	63.1	21%	0.208	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.2	-177.4	-169.4	51.8	0	0	0	110.9	K107 Y111 H129 Q130 G131 R133	K107-H109 PolarHBondContact O-N 2.99Å; H109-Y111 HydrophobicContact CB-CE2 4.28Å; H109-Y111 AromaticContact CD2-CD1 3.74Å; H109-Y111 AromaticContact CD2-CE1 3.51Å; H109-Y111 AromaticContact CD2-CZ 3.71Å; H109-H129 CarbonylContact O-C 3.5Å; H109-H129 WeakPolarHBondContact O-CA 3.44Å; H109-Q130 PolarHBondContact O-N 2.96Å; H109-G131 PolarHBondContact N-O 3.35Å; H109-R133 HydrophobicContact CB-CB 3.67Å; H109-R133 VanDerWaalsContact CE1-CZ 3.48Å; H109-R133 PolarHBondContact CE1-NH2 3.39Å; H109-R133 VanDerWaalsContact NE2-CZ 3.27Å; H109-R133 PolarHBondContact NE2-NH1 2.88Å
110	T	67.9	Low	67.1	Low	33 Å²	33	60.2 Å²	60.2	20%	0.202	31%	0.312	C	S	.	.			trans	-100.3	123.9	171	-59.2	0	0	0	0	108.7	L127 I128 H129	T110-L127 WeakPolarHBondContact CG2-O 3.18Å; T110-I128 HydrophobicContact CG2-CB 4.4Å; T110-I128 HydrophobicContact CG2-CG2 4.41Å; T110-I128 WeakPolarHBondContact OG1-CG2 3.44Å; T110-H129 PolarHBondContact OG1-CD2 3.39Å; T110-H129 PolarHBondContact OG1-N 3.33Å
111	Y	67	Low	67.7	Low	17 Å²	17	55.4 Å²	55.4	7%	0.067	28%	0.281	C	S	.	.			trans	-94.8	133.4	179.6	-60	-90.7	0	0	0	109.7	H109 S113 T115 L124 Q130 M132 N140	H109-Y111 HydrophobicContact CB-CE2 4.28Å; H109-Y111 AromaticContact CD2-CD1 3.74Å; H109-Y111 AromaticContact CD2-CE1 3.51Å; H109-Y111 AromaticContact CD2-CZ 3.71Å; Y111-S113 VanDerWaalsContact C-N 3.32Å; Y111-T115 HydrophobicContact CD1-CG2 3.61Å; Y111-T115 WeakPolarHBondContact CD1-OG1 3.47Å; Y111-T115 HydrophobicContact CE1-CG2 3.73Å; Y111-T115 HydrophobicContact CG-CG2 4.23Å; Y111-L124 HydrophobicContact CD2-CD1 3.95Å; Y111-L124 HydrophobicContact CE1-CD1 4.22Å; Y111-L124 HydrophobicContact CE2-CD1 3.39Å; Y111-Q130 HydrophobicContact CD2-CB 4.06Å; Y111-Q130 PolarHBondContact O-NE2 2.77Å; Y111-M132 PolarHBondContact OH-O 3Å; Y111-M132 VanDerWaalsContact OH-O 3.04Å; Y111-N140 HydrophobicContact CE1-CB 3.89Å; Y111-N140 VanDerWaalsContact CE1-CG 3.44Å; Y111-N140 VanDerWaalsContact CE1-OD1 3.25Å; Y111-N140 WeakPolarHBondContact CE1-OD1 3.31Å; Y111-N140 WeakPolarHBondContact OH-CA 3.41Å; Y111-N140 VanDerWaalsContact OH-CB 3.3Å; Y111-N140 WeakPolarHBondContact OH-CB 3.24Å; Y111-N140 PolarHBondContact OH-OD1 3.31Å
112	S	49.7	Very low	68.8	Low	70 Å²	70	48 Å²	48	49%	0.49	26%	0.256	S	S	.	.	S	Bend	trans	-83.8	-5.4	178	47.7	0	0	0	0	113.6	D632	S112-D632 WeakPolarHBondContact CB-OD2 3.2Å; S112-D632 PolarHBondContact OG-OD2 2.95Å
113	S	52.8	Low	69.7	Low	48 Å²	48	48.6 Å²	48.6	34%	0.336	26%	0.255	S	S	.	.	S	Bend	trans	-139.4	155.8	176.1	62.3	0	0	0	0	111.4	Y111 T115	Y111-S113 VanDerWaalsContact C-N 3.32Å; S113-T115 PolarHBondContact O-N 3.03Å; S113-T115 PolarHBondContact O-OG1 2.77Å
114	P	58.7	Low	70.1	Confident	109 Å²	109	44.8 Å²	44.8	71%	0.708	24%	0.239	S	C	*	.			trans	-52.3	110	174.3	-25.9	34.5	0	0	0	110.8	L123	P114-L123 HydrophobicContact CB-CD1 3.9Å
115	T	66	Low	69.9	Low	21 Å²	21	45.4 Å²	45.4	13%	0.129	24%	0.24	C	C	.	.			trans	-120	137.7	-172.2	-58.1	0	0	0	0	108.9	Y111 S113 L123 L124 N140	Y111-T115 HydrophobicContact CD1-CG2 3.61Å; Y111-T115 WeakPolarHBondContact CD1-OG1 3.47Å; Y111-T115 HydrophobicContact CE1-CG2 3.73Å; Y111-T115 HydrophobicContact CG-CG2 4.23Å; S113-T115 PolarHBondContact O-N 3.03Å; S113-T115 PolarHBondContact O-OG1 2.77Å; T115-L123 WeakPolarHBondContact O-CD1 3.26Å; T115-L124 HydrophobicContact CG2-CD1 3.94Å; T115-L124 VanDerWaalsContact O-CB 3.26Å; T115-L124 WeakPolarHBondContact O-CB 3.43Å; T115-L124 WeakPolarHBondContact O-CG 3.35Å; T115-L124 PolarHBondContact O-N 3.39Å; T115-N140 HydrophobicContact CG2-CB 4.05Å
116	F	74.3	Confident	68.4	Low	61 Å²	61	41 Å²	41	27%	0.268	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-101.1	147.5	-177.2	-62.8	-96.4	0	0	0	110.2	F51 D118 L123	F51-F116 HydrophobicContact CD2-CB 4.42Å; F51-F116 AromaticContact CD2-CD1 3.66Å; F51-F116 HydrophobicContact CD2-CD1 3.66Å; F51-F116 HydrophobicContact CD2-CD2 4.08Å; F51-F116 AromaticContact CD2-CE1 3.9Å; F51-F116 HydrophobicContact CD2-CE1 3.9Å; F51-F116 HydrophobicContact CD2-CE2 4.3Å; F51-F116 AromaticContact CD2-CG 3.78Å; F51-F116 HydrophobicContact CD2-CG 3.78Å; F51-F116 HydrophobicContact CD2-CZ 4.22Å; F51-F116 AromaticContact CE2-CD1 3.91Å; F51-F116 HydrophobicContact CE2-CD1 3.91Å; F51-F116 AromaticContact CE2-CD2 3.94Å; F51-F116 HydrophobicContact CE2-CD2 3.94Å; F51-F116 AromaticContact CE2-CE1 3.68Å; F51-F116 HydrophobicContact CE2-CE1 3.68Å; F51-F116 AromaticContact CE2-CE2 3.72Å; F51-F116 HydrophobicContact CE2-CE2 3.72Å; F51-F116 HydrophobicContact CE2-CG 4.05Å; F51-F116 AromaticContact CE2-CZ 3.59Å; F51-F116 HydrophobicContact CE2-CZ 3.59Å; F51-F116 HydrophobicContact CZ-CE2 4.49Å; F116-D118 PolarHBondContact O-N 3.17Å; F116-L123 HydrophobicContact CD1-CB 4.05Å; F116-L123 HydrophobicContact CD1-CD1 4.14Å; F116-L123 HydrophobicContact CD2-CD1 4.29Å; F116-L123 HydrophobicContact CE1-CB 3.88Å; F116-L123 HydrophobicContact CE1-CD1 3.8Å; F116-L123 HydrophobicContact CE1-CG 4.44Å; F116-L123 HydrophobicContact CE2-CD1 3.96Å; F116-L123 HydrophobicContact CG-CD1 4.37Å; F116-L123 HydrophobicContact CZ-CD1 3.69Å
117	C	77.6	Confident	66.8	Low	2 Å²	2	40.8 Å²	40.8	1%	0.014	23%	0.231	C	C	.	.			trans	-69.5	120.5	174.8	177.9	0	0	0	0	109.5	H119 C120 G121 S122 L124 N140 H142	C117-H119 PolarHBondContact O-N 3.03Å; C117-H119 VanDerWaalsContact O-N 3.09Å; C117-C120 VanDerWaalsContact CB-SG 3.51Å; C117-C120 PolarHBondContact SG-N 2.82Å; C117-G121 VanDerWaalsContact O-CA 3.22Å; C117-G121 WeakPolarHBondContact O-CA 3.33Å; C117-G121 PolarHBondContact O-N 3.16Å; C117-S122 WeakPolarHBondContact CB-O 3.48Å; C117-S122 PolarHBondContact N-O 2.97Å; C117-L124 HydrophobicContact CB-CD2 3.76Å; C117-L124 HydrophobicContact CB-CG 4.46Å; C117-N140 CarbonylContact C-O 3.28Å; C117-N140 WeakPolarHBondContact CA-O 3.44Å; C117-H142 VanDerWaalsContact CB-CE1 3.41Å; C117-H142 WeakPolarHBondContact CB-CE1 3.48Å; C117-H142 VanDerWaalsContact CB-ND1 3.32Å; C117-H142 WeakPolarHBondContact CB-ND1 3.46Å; C117-H142 PolarHBondContact SG-N 3.22Å; C117-H142 VanDerWaalsContact SG-N 3.41Å; C117-H142 PolarHBondContact SG-ND1 2.63Å; C117-H142 VanDerWaalsContact SG-ND1 3.43Å
118	D	72.7	Confident	65.4	Low	61 Å²	61	38.9 Å²	38.9	33%	0.326	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.5	178.9	-67.6	-42.3	0	0	0	112.5	S53 F116 M139 N140	S53-D118 WeakPolarHBondContact CB-O 3.36Å; S53-D118 PolarHBondContact OG-O 3.24Å; S53-D118 VanDerWaalsContact OG-O 3.05Å; F116-D118 PolarHBondContact O-N 3.17Å; D118-M139 HydrophobicContact CB-CE 3.75Å; D118-M139 HydrophobicContact CB-CG 3.79Å; D118-M139 WeakPolarHBondContact OD2-CA 3.23Å; D118-M139 WeakPolarHBondContact OD2-CG 3.26Å; D118-N140 PolarHBondContact N-O 3.35Å; D118-N140 PolarHBondContact OD2-N 3.4Å
119	H	74.3	Confident	64.8	Low	2 Å²	2	38.9 Å²	38.9	1%	0.009	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-42.9	-177.4	-177.3	70.1	0	0	0	114.6	S53 C72 F74 C117 M139 I141 C145 N148 V149	S53-H119 PolarHBondContact OG-O 2.76Å; C72-H119 PolarHBondContact O-NE2 2.82Å; F74-H119 WeakPolarHBondContact CA-O 3.39Å; F74-H119 AromaticContact CD2-CE1 3.97Å; F74-H119 AromaticContact CD2-ND1 3.77Å; F74-H119 WeakPolarHBondContact CD2-O 3.41Å; C117-H119 PolarHBondContact O-N 3.03Å; C117-H119 VanDerWaalsContact O-N 3.09Å; H119-M139 HydrophobicContact CB-CE 4.26Å; H119-I141 HydrophobicContact CB-CG2 4.15Å; H119-C145 HydrophobicContact CB-CB 4.19Å; H119-N148 PolarHBondContact CE1-O 2.82Å; H119-N148 PolarHBondContact NE2-O 3.16Å; H119-V149 HydrophobicContact CB-CG2 3.93Å
120	C	70.3	Confident	65.3	Low	6 Å²	6	37.8 Å²	37.8	4%	0.041	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-5.7	-178.2	74.8	0	0	0	0	113.4	V75 C117 S122 H142	V75-C120 WeakPolarHBondContact CB-O 3.47Å; V75-C120 VanDerWaalsContact CG2-O 3.26Å; V75-C120 WeakPolarHBondContact CG2-O 3.38Å; C117-C120 VanDerWaalsContact CB-SG 3.51Å; C117-C120 PolarHBondContact SG-N 2.82Å; C120-S122 PolarHBondContact O-N 3.43Å; C120-S122 VanDerWaalsContact O-N 3.16Å; C120-H142 PolarHBondContact SG-CE1 3.06Å; C120-H142 PolarHBondContact SG-ND1 3.07Å
121	G	60.5	Low	66.1	Low	2 Å²	2	36.2 Å²	36.2	2%	0.021	21%	0.208	C	C	.	.			trans	75.3	-5.7	177.2	0	0	0	0	0	115.3	T50 F51 C117	T50-G121 WeakPolarHBondContact CA-O 3.44Å; F51-G121 PolarHBondContact N-O 3.22Å; F51-G121 WeakPolarHBondContact O-CA 3.38Å; C117-G121 VanDerWaalsContact O-CA 3.22Å; C117-G121 WeakPolarHBondContact O-CA 3.33Å; C117-G121 PolarHBondContact O-N 3.16Å
122	S	72.9	Confident	67	Low	21 Å²	21	36.9 Å²	36.9	15%	0.147	21%	0.212	C	C	.	.	S	Bend	trans	-89.7	155.9	-178.1	-49.3	0	0	0	0	112.1	C117 C120 H142	C117-S122 WeakPolarHBondContact CB-O 3.48Å; C117-S122 PolarHBondContact N-O 2.97Å; C120-S122 PolarHBondContact O-N 3.43Å; C120-S122 VanDerWaalsContact O-N 3.16Å; S122-H142 PolarHBondContact O-CE1 3.4Å
123	L	72.8	Confident	68.6	Low	41 Å²	41	36.9 Å²	36.9	22%	0.215	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-58.4	139.6	179.9	-170	69.5	0	0	0	111.8	P114 T115 F116 Y125 H142	P114-L123 HydrophobicContact CB-CD1 3.9Å; T115-L123 WeakPolarHBondContact O-CD1 3.26Å; F116-L123 HydrophobicContact CD1-CB 4.05Å; F116-L123 HydrophobicContact CD1-CD1 4.14Å; F116-L123 HydrophobicContact CD2-CD1 4.29Å; F116-L123 HydrophobicContact CE1-CB 3.88Å; F116-L123 HydrophobicContact CE1-CD1 3.8Å; F116-L123 HydrophobicContact CE1-CG 4.44Å; F116-L123 HydrophobicContact CE2-CD1 3.96Å; F116-L123 HydrophobicContact CG-CD1 4.37Å; F116-L123 HydrophobicContact CZ-CD1 3.69Å; L123-Y125 HydrophobicContact CB-CD2 4.46Å; L123-Y125 HydrophobicContact CB-CE1 4.4Å; L123-Y125 HydrophobicContact CB-CE2 4.02Å; L123-Y125 HydrophobicContact CD2-CD1 4.14Å; L123-Y125 HydrophobicContact CD2-CE1 3.86Å; L123-Y125 WeakPolarHBondContact O-CD2 3.26Å; L123-Y125 WeakPolarHBondContact O-CE2 3.31Å; L123-Y125 PolarHBondContact O-N 3.27Å; L123-H142 PolarHBondContact O-CE1 3.49Å; L123-H142 PolarHBondContact O-NE2 3.4Å
124	L	75.1	Confident	69.9	Low	7 Å²	7	34.6 Å²	34.6	4%	0.037	19%	0.185	C	C	.	.			trans	-79.1	99.3	167.6	-59.5	176	0	0	0	107.5	Y111 T115 C117 Q130 N140 I141 H142	Y111-L124 HydrophobicContact CD2-CD1 3.95Å; Y111-L124 HydrophobicContact CE1-CD1 4.22Å; Y111-L124 HydrophobicContact CE2-CD1 3.39Å; T115-L124 HydrophobicContact CG2-CD1 3.94Å; T115-L124 VanDerWaalsContact O-CB 3.26Å; T115-L124 WeakPolarHBondContact O-CB 3.43Å; T115-L124 WeakPolarHBondContact O-CG 3.35Å; T115-L124 PolarHBondContact O-N 3.39Å; C117-L124 HydrophobicContact CB-CD2 3.76Å; C117-L124 HydrophobicContact CB-CG 4.46Å; L124-Q130 HydrophobicContact CB-CB 3.84Å; L124-N140 HydrophobicContact CD1-CB 4.06Å; L124-I141 VanDerWaalsContact CD2-C 3.48Å; L124-H142 HydrophobicContact CD2-CB 4.35Å; L124-H142 VanDerWaalsContact CD2-CD2 3.44Å; L124-H142 WeakPolarHBondContact CD2-CD2 3.23Å
125	Y	62.6	Low	70.6	Confident	44 Å²	44	32 Å²	32	17%	0.173	17%	0.165	C	C	.	.			trans	-75.7	150.6	-174.7	-70.9	-83.3	0	0	0	112.9	Q48 L123 Q130 E547	Q48-Y125 PolarHBondContact NE2-OH 2.93Å; Q48-Y125 PolarHBondContact OE1-OH 2.88Å; L123-Y125 HydrophobicContact CB-CD2 4.46Å; L123-Y125 HydrophobicContact CB-CE1 4.4Å; L123-Y125 HydrophobicContact CB-CE2 4.02Å; L123-Y125 HydrophobicContact CD2-CD1 4.14Å; L123-Y125 HydrophobicContact CD2-CE1 3.86Å; L123-Y125 WeakPolarHBondContact O-CD2 3.26Å; L123-Y125 WeakPolarHBondContact O-CE2 3.31Å; L123-Y125 PolarHBondContact O-N 3.27Å; Y125-Q130 VanDerWaalsContact O-CA 3.29Å; Y125-Q130 WeakPolarHBondContact O-CA 3.46Å; Y125-Q130 VanDerWaalsContact O-CB 3.27Å; Y125-Q130 WeakPolarHBondContact O-CB 3.44Å; Y125-Q130 WeakPolarHBondContact O-CG 3.2Å; Y125-E547 HydrophobicContact CD1-CB 4.45Å; Y125-E547 HydrophobicContact CE1-CB 3.92Å
126	G	49.6	Very low	70.5	Confident	33 Å²	33	38 Å²	38	34%	0.34	19%	0.192	S	C	.	.	S	Bend	trans	109.2	169.6	177.6	0	0	0	0	0	113.9	Q130	G126-Q130 WeakPolarHBondContact O-CG 3.36Å; G126-Q130 PolarHBondContact O-NE2 2.91Å
127	L	49	Very low	69.7	Low	30 Å²	30	37.7 Å²	37.7	16%	0.157	20%	0.196	C	C	.	.	S	Bend	trans	-96.5	-25.8	178.1	-61.8	169.7	0	0	0	112.9	T110 Q130 M430 T505 D507 Y508	T110-L127 WeakPolarHBondContact CG2-O 3.18Å; L127-Q130 VanDerWaalsContact C-NE2 3.29Å; L127-Q130 PolarHBondContact O-NE2 2.96Å; L127-Q130 VanDerWaalsContact O-NE2 3.14Å; L127-M430 HydrophobicContact CB-CE 3.78Å; L127-M430 HydrophobicContact CD1-CE 4.24Å; L127-M430 HydrophobicContact CD2-CE 4.43Å; L127-M430 HydrophobicContact CG-CE 4.37Å; L127-T505 HydrophobicContact CD2-CG2 4.33Å; L127-D507 HydrophobicContact CD1-CB 3.83Å; L127-D507 HydrophobicContact CG-CB 4.28Å; L127-Y508 HydrophobicContact CD1-CD2 4.43Å; L127-Y508 HydrophobicContact CD1-CE2 3.45Å; L127-Y508 VanDerWaalsContact CD1-CE2 3.45Å; L127-Y508 HydrophobicContact CD2-CE2 4.48Å
128	I	51.8	Low	69.3	Low	65 Å²	65	42.4 Å²	42.4	33%	0.333	22%	0.219	S	C	.	.	S	Bend	trans	-137.3	139	-178.1	-56.4	179.7	0	0	0	108.6	T110 Q130 M430	T110-I128 HydrophobicContact CG2-CB 4.4Å; T110-I128 HydrophobicContact CG2-CG2 4.41Å; T110-I128 WeakPolarHBondContact OG1-CG2 3.44Å; I128-Q130 PolarHBondContact O-N 2.77Å; I128-M430 HydrophobicContact CD1-SD 4.1Å; I128-M430 HydrophobicContact CG1-SD 4.11Å
129	H	68.1	Low	69.4	Low	98 Å²	98	41.2 Å²	41.2	45%	0.454	21%	0.212	S	C	.	.	S	Bend	trans	56.1	36	176.6	-57.2	155	0	0	0	113.7	I108 H109 T110 G131 K143	I108-H129 HydrophobicContact CG2-CB 3.48Å; I108-H129 VanDerWaalsContact CG2-CB 3.48Å; I108-H129 VanDerWaalsContact CG2-CG 3.44Å; H109-H129 CarbonylContact O-C 3.5Å; H109-H129 WeakPolarHBondContact O-CA 3.44Å; T110-H129 PolarHBondContact OG1-CD2 3.39Å; T110-H129 PolarHBondContact OG1-N 3.33Å; H129-G131 PolarHBondContact O-N 3.32Å; H129-G131 VanDerWaalsContact O-N 3.11Å; H129-K143 VanDerWaalsContact O-CE 3.32Å; H129-K143 WeakPolarHBondContact O-CE 3.45Å; H129-K143 PolarHBondContact O-NZ 2.86Å
130	Q	78.3	Confident	69.7	Low	23 Å²	23	42.6 Å²	42.6	11%	0.107	22%	0.22	C	C	.	.			trans	-58.2	-27.4	-175	-58.4	93.2	-24.6	0	0	113.1	H109 Y111 L124 Y125 G126 L127 I128	H109-Q130 PolarHBondContact O-N 2.96Å; Y111-Q130 HydrophobicContact CD2-CB 4.06Å; Y111-Q130 PolarHBondContact O-NE2 2.77Å; L124-Q130 HydrophobicContact CB-CB 3.84Å; Y125-Q130 VanDerWaalsContact O-CA 3.29Å; Y125-Q130 WeakPolarHBondContact O-CA 3.46Å; Y125-Q130 VanDerWaalsContact O-CB 3.27Å; Y125-Q130 WeakPolarHBondContact O-CB 3.44Å; Y125-Q130 WeakPolarHBondContact O-CG 3.2Å; G126-Q130 WeakPolarHBondContact O-CG 3.36Å; G126-Q130 PolarHBondContact O-NE2 2.91Å; L127-Q130 VanDerWaalsContact C-NE2 3.29Å; L127-Q130 PolarHBondContact O-NE2 2.96Å; L127-Q130 VanDerWaalsContact O-NE2 3.14Å; I128-Q130 PolarHBondContact O-N 2.77Å
131	G	83.2	Confident	70.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-163.9	-177.8	0	0	0	0	0	113	H109 H129 I141	H109-G131 PolarHBondContact N-O 3.35Å; H129-G131 PolarHBondContact O-N 3.32Å; H129-G131 VanDerWaalsContact O-N 3.11Å; G131-I141 CarbonylContact C-O 3.56Å; G131-I141 WeakPolarHBondContact CA-O 3.49Å
132	M	86	Confident	71.3	Confident	30 Å²	30	42.8 Å²	42.8	15%	0.148	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.3	178.2	-53.2	-78.5	-76	0	0	108.1	F106 K107 I108 Y111 I141 K143 V146	F106-M132 HydrophobicContact CB-CB 4.06Å; F106-M132 HydrophobicContact CB-CE 3.89Å; F106-M132 HydrophobicContact CD1-CB 4.15Å; F106-M132 HydrophobicContact CG-CB 4.37Å; K107-M132 CarbonylContact O-C 2.99Å; K107-M132 WeakPolarHBondContact O-CA 3.44Å; I108-M132 HydrophobicContact CB-SD 4.22Å; I108-M132 HydrophobicContact CG1-CE 4.39Å; I108-M132 HydrophobicContact CG1-SD 3.5Å; I108-M132 WeakPolarHBondContact CG1-SD 3.19Å; Y111-M132 PolarHBondContact OH-O 3Å; Y111-M132 VanDerWaalsContact OH-O 3.04Å; M132-I141 HydrophobicContact CB-CG1 4Å; M132-I141 PolarHBondContact N-O 3.14Å; M132-I141 PolarHBondContact O-N 3.13Å; M132-K143 HydrophobicContact CG-CB 4.43Å; M132-K143 HydrophobicContact CG-CG 3.83Å; M132-K143 HydrophobicContact SD-CG 3.93Å; M132-V146 HydrophobicContact CB-CG2 4.21Å; M132-V146 HydrophobicContact CE-CG2 4.34Å; M132-V146 HydrophobicContact CG-CG2 3.72Å
133	R	84.6	Confident	71.6	Confident	70 Å²	70	47 Å²	47	26%	0.264	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.6	173.3	-172.2	169.3	71.6	176.2	1.4	110.3	F106 K107 H109 M139 N140	F106-R133 WeakPolarHBondContact CA-O 3.26Å; K107-R133 PolarHBondContact N-O 3.42Å; K107-R133 PolarHBondContact O-N 3.18Å; H109-R133 HydrophobicContact CB-CB 3.67Å; H109-R133 VanDerWaalsContact CE1-CZ 3.48Å; H109-R133 PolarHBondContact CE1-NH2 3.39Å; H109-R133 VanDerWaalsContact NE2-CZ 3.27Å; H109-R133 PolarHBondContact NE2-NH1 2.88Å; R133-M139 CarbonylContact C-O 3.57Å; R133-M139 WeakPolarHBondContact CA-O 3.26Å; R133-N140 WeakPolarHBondContact CD-OD1 3.38Å; R133-N140 WeakPolarHBondContact CG-OD1 3.48Å
134	C	79.6	Confident	71.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126	174.2	-169.9	0	0	0	0	110.6	H104 K105 F106 H136 C137 M138 M139	H104-C134 PolarHBondContact ND1-SG 3.2Å; H104-C134 VanDerWaalsContact ND1-SG 3.38Å; K105-C134 WeakPolarHBondContact O-CA 3.04Å; F106-C134 HydrophobicContact CD1-CB 3.92Å; F106-C134 HydrophobicContact CE1-CB 3.66Å; F106-C134 HydrophobicContact CZ-CB 4.36Å; C134-H136 PolarHBondContact O-N 3.02Å; C134-H136 VanDerWaalsContact O-N 3.13Å; C134-C137 VanDerWaalsContact CB-SG 3.59Å; C134-C137 VanDerWaalsContact SG-SG 3.61Å; C134-M138 VanDerWaalsContact O-CA 3.31Å; C134-M138 WeakPolarHBondContact O-CA 3.42Å; C134-M138 PolarHBondContact O-N 3.48Å; C134-M138 VanDerWaalsContact O-N 3.11Å; C134-M139 HydrophobicContact CB-CB 4.23Å; C134-M139 PolarHBondContact N-O 2.85Å
135	D	73.5	Confident	71.9	Confident	55 Å²	55	50.9 Å²	50.9	29%	0.294	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.9	178.3	-79.7	-22.7	0	0	0	113.7	K105 K107 M138	K105-D135 HydrophobicContact CB-CB 4.47Å; K105-D135 PolarHBondContact O-N 3.17Å; K107-D135 WeakPolarHBondContact CD-OD1 3.36Å; K107-D135 WeakPolarHBondContact CE-OD2 3.41Å; K107-D135 IonicContact NZ-OD1 2.99Å; K107-D135 PolarHBondContact NZ-OD1 3.24Å; K107-D135 IonicContact NZ-OD2 2.94Å; K107-D135 PolarHBondContact NZ-OD2 3.2Å; D135-M138 WeakPolarHBondContact O-CE 3.36Å
136	H	62.8	Low	72.8	Confident	147 Å²	147	51 Å²	51	68%	0.681	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-57.1	-172.9	-86	61	0	0	0	113.2	C134 C153	C134-H136 PolarHBondContact O-N 3.02Å; C134-H136 VanDerWaalsContact O-N 3.13Å; H136-C153 VanDerWaalsContact CB-SG 3.55Å
137	C	58.8	Low	73.9	Confident	54 Å²	54	54.2 Å²	54.2	37%	0.365	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	1.6	-176.7	66.5	0	0	0	0	114	H104 C134 M139	H104-C137 PolarHBondContact CE1-SG 3.25Å; H104-C137 PolarHBondContact ND1-SG 3.28Å; C134-C137 VanDerWaalsContact CB-SG 3.59Å; C134-C137 VanDerWaalsContact SG-SG 3.61Å; C137-M139 PolarHBondContact O-N 3.04Å; C137-M139 VanDerWaalsContact O-N 3.1Å; C137-M139 VanDerWaalsContact SG-CB 3.57Å
138	M	68.3	Low	74.9	Confident	101 Å²	101	55 Å²	55	50%	0.498	27%	0.272	S	S	.	.			trans	58.3	18.2	-178.1	-55.6	-60.4	157.1	0	0	115.2	C134 D135 N140	C134-M138 VanDerWaalsContact O-CA 3.31Å; C134-M138 WeakPolarHBondContact O-CA 3.42Å; C134-M138 PolarHBondContact O-N 3.48Å; C134-M138 VanDerWaalsContact O-N 3.11Å; D135-M138 WeakPolarHBondContact O-CE 3.36Å; M138-N140 PolarHBondContact O-N 3.07Å; M138-N140 PolarHBondContact O-OD1 3.06Å; M138-N140 VanDerWaalsContact O-OD1 3.14Å
139	M	75.2	Confident	75.6	Confident	36 Å²	36	52.4 Å²	52.4	18%	0.177	26%	0.259	C	S	.	.			trans	-62.8	132.2	173.9	-171.3	-173.4	-172.9	0	0	110.7	F106 D118 H119 R133 C134 C137 I141 V149	F106-M139 HydrophobicContact CE1-CB 4.41Å; F106-M139 HydrophobicContact CZ-SD 4.2Å; D118-M139 HydrophobicContact CB-CE 3.75Å; D118-M139 HydrophobicContact CB-CG 3.79Å; D118-M139 WeakPolarHBondContact OD2-CA 3.23Å; D118-M139 WeakPolarHBondContact OD2-CG 3.26Å; H119-M139 HydrophobicContact CB-CE 4.26Å; R133-M139 CarbonylContact C-O 3.57Å; R133-M139 WeakPolarHBondContact CA-O 3.26Å; C134-M139 HydrophobicContact CB-CB 4.23Å; C134-M139 PolarHBondContact N-O 2.85Å; C137-M139 PolarHBondContact O-N 3.04Å; C137-M139 VanDerWaalsContact O-N 3.1Å; C137-M139 VanDerWaalsContact SG-CB 3.57Å; M139-I141 HydrophobicContact CE-CG2 3.71Å; M139-I141 HydrophobicContact CG-CG2 3.94Å; M139-I141 HydrophobicContact SD-CG2 4.05Å; M139-V149 HydrophobicContact CE-CG1 4.11Å; M139-V149 HydrophobicContact CE-CG2 4.22Å; M139-V149 HydrophobicContact SD-CG1 3.91Å
140	N	80.7	Confident	75.4	Confident	32 Å²	32	48.9 Å²	48.9	17%	0.171	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.7	-176.7	-56.7	-40.4	0	0	0	109.4	Y111 T115 C117 D118 L124 R133 M138	Y111-N140 HydrophobicContact CE1-CB 3.89Å; Y111-N140 VanDerWaalsContact CE1-CG 3.44Å; Y111-N140 VanDerWaalsContact CE1-OD1 3.25Å; Y111-N140 WeakPolarHBondContact CE1-OD1 3.31Å; Y111-N140 WeakPolarHBondContact OH-CA 3.41Å; Y111-N140 VanDerWaalsContact OH-CB 3.3Å; Y111-N140 WeakPolarHBondContact OH-CB 3.24Å; Y111-N140 PolarHBondContact OH-OD1 3.31Å; T115-N140 HydrophobicContact CG2-CB 4.05Å; C117-N140 CarbonylContact C-O 3.28Å; C117-N140 WeakPolarHBondContact CA-O 3.44Å; D118-N140 PolarHBondContact N-O 3.35Å; D118-N140 PolarHBondContact OD2-N 3.4Å; L124-N140 HydrophobicContact CD1-CB 4.06Å; R133-N140 WeakPolarHBondContact CD-OD1 3.38Å; R133-N140 WeakPolarHBondContact CG-OD1 3.48Å; M138-N140 PolarHBondContact O-N 3.07Å; M138-N140 PolarHBondContact O-OD1 3.06Å; M138-N140 VanDerWaalsContact O-OD1 3.14Å
141	I	83.2	Confident	74.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.4	-175.9	62.5	170.8	0	0	0	112.5	F106 H119 L124 G131 M132 M139 C145 V146 V149	F106-I141 HydrophobicContact CD1-CD1 3.73Å; F106-I141 HydrophobicContact CD1-CG1 3.87Å; F106-I141 HydrophobicContact CD2-CD1 3.84Å; F106-I141 HydrophobicContact CE1-CD1 3.38Å; F106-I141 HydrophobicContact CE1-CG1 3.6Å; F106-I141 HydrophobicContact CE1-CG2 4.44Å; F106-I141 HydrophobicContact CE2-CD1 3.45Å; F106-I141 VanDerWaalsContact CE2-CD1 3.45Å; F106-I141 HydrophobicContact CG-CD1 3.98Å; F106-I141 HydrophobicContact CZ-CD1 3.25Å; F106-I141 HydrophobicContact CZ-CG1 3.99Å; H119-I141 HydrophobicContact CB-CG2 4.15Å; L124-I141 VanDerWaalsContact CD2-C 3.48Å; G131-I141 CarbonylContact C-O 3.56Å; G131-I141 WeakPolarHBondContact CA-O 3.49Å; M132-I141 HydrophobicContact CB-CG1 4Å; M132-I141 PolarHBondContact N-O 3.14Å; M132-I141 PolarHBondContact O-N 3.13Å; M139-I141 HydrophobicContact CE-CG2 3.71Å; M139-I141 HydrophobicContact CG-CG2 3.94Å; M139-I141 HydrophobicContact SD-CG2 4.05Å; I141-C145 HydrophobicContact CB-CB 4.29Å; I141-V146 HydrophobicContact CD1-CB 4.07Å; I141-V146 HydrophobicContact CD1-CG2 3.57Å; I141-V146 HydrophobicContact CG1-CG2 4.2Å; I141-V149 HydrophobicContact CD1-CG2 3.91Å; I141-V149 HydrophobicContact CG2-CG2 4.12Å
142	H	80.5	Confident	73.6	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.056	28%	0.275	C	S	.	.			trans	-65	152.5	167.8	-63	107.4	0	0	0	110.8	C117 C120 S122 L123 L124 R144 C145 V146	C117-H142 VanDerWaalsContact CB-CE1 3.41Å; C117-H142 WeakPolarHBondContact CB-CE1 3.48Å; C117-H142 VanDerWaalsContact CB-ND1 3.32Å; C117-H142 WeakPolarHBondContact CB-ND1 3.46Å; C117-H142 PolarHBondContact SG-N 3.22Å; C117-H142 VanDerWaalsContact SG-N 3.41Å; C117-H142 PolarHBondContact SG-ND1 2.63Å; C117-H142 VanDerWaalsContact SG-ND1 3.43Å; C120-H142 PolarHBondContact SG-CE1 3.06Å; C120-H142 PolarHBondContact SG-ND1 3.07Å; S122-H142 PolarHBondContact O-CE1 3.4Å; L123-H142 PolarHBondContact O-CE1 3.49Å; L123-H142 PolarHBondContact O-NE2 3.4Å; L124-H142 HydrophobicContact CD2-CB 4.35Å; L124-H142 VanDerWaalsContact CD2-CD2 3.44Å; L124-H142 WeakPolarHBondContact CD2-CD2 3.23Å; H142-R144 HydrophobicContact CB-CG 3.82Å; H142-R144 PolarHBondContact O-N 3.19Å; H142-C145 HydrophobicContact CB-CB 4.17Å; H142-C145 WeakPolarHBondContact O-CB 3.48Å; H142-C145 PolarHBondContact O-N 2.84Å; H142-V146 PolarHBondContact O-N 2.87Å
143	K	80.7	Confident	72.1	Confident	109 Å²	109	53.8 Å²	53.8	47%	0.474	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-52.7	-41.5	170.3	-65.9	171.5	-171.8	157.8	0	111.8	H129 M132 C145 V146	H129-K143 VanDerWaalsContact O-CE 3.32Å; H129-K143 WeakPolarHBondContact O-CE 3.45Å; H129-K143 PolarHBondContact O-NZ 2.86Å; M132-K143 HydrophobicContact CG-CB 4.43Å; M132-K143 HydrophobicContact CG-CG 3.83Å; M132-K143 HydrophobicContact SD-CG 3.93Å; K143-C145 VanDerWaalsContact C-N 3.3Å; K143-C145 PolarHBondContact O-N 2.76Å; K143-V146 WeakPolarHBondContact O-CB 3.46Å; K143-V146 VanDerWaalsContact O-CG2 3.3Å; K143-V146 WeakPolarHBondContact O-CG2 3.38Å; K143-V146 PolarHBondContact O-N 2.92Å
144	R	76.9	Confident	70.3	Confident	125 Å²	125	53.4 Å²	53.4	47%	0.472	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-69	-21.9	175.9	71	-179.1	179.4	-170.7	-1.9	114.8	H142 N148	H142-R144 HydrophobicContact CB-CG 3.82Å; H142-R144 PolarHBondContact O-N 3.19Å; R144-N148 PolarHBondContact O-ND2 2.96Å
145	C	77.6	Confident	68.8	Low	5 Å²	5	56.4 Å²	56.4	3%	0.034	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-85.3	-20.4	-179.7	-67.9	0	0	0	0	112.2	H119 I141 H142 K143 N148 V149	H119-C145 HydrophobicContact CB-CB 4.19Å; I141-C145 HydrophobicContact CB-CB 4.29Å; H142-C145 HydrophobicContact CB-CB 4.17Å; H142-C145 WeakPolarHBondContact O-CB 3.48Å; H142-C145 PolarHBondContact O-N 2.84Å; K143-C145 VanDerWaalsContact C-N 3.3Å; K143-C145 PolarHBondContact O-N 2.76Å; C145-N148 CarbonylContact O-C 3.58Å; C145-N148 WeakPolarHBondContact O-CA 3.12Å; C145-N148 WeakPolarHBondContact O-CB 3.3Å; C145-N148 PolarHBondContact O-N 3.33Å; C145-V149 WeakPolarHBondContact O-CG2 3.48Å; C145-V149 PolarHBondContact O-N 3Å
146	V	79.5	Confident	67.4	Low	45 Å²	45	58.9 Å²	58.9	27%	0.273	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-45.4	-53.5	178.9	179.2	0	0	0	0	114.1	F106 M132 I141 H142 K143 N148 V149	F106-V146 HydrophobicContact CD2-CG1 4.02Å; M132-V146 HydrophobicContact CB-CG2 4.21Å; M132-V146 HydrophobicContact CE-CG2 4.34Å; M132-V146 HydrophobicContact CG-CG2 3.72Å; I141-V146 HydrophobicContact CD1-CB 4.07Å; I141-V146 HydrophobicContact CD1-CG2 3.57Å; I141-V146 HydrophobicContact CG1-CG2 4.2Å; H142-V146 PolarHBondContact O-N 2.87Å; K143-V146 WeakPolarHBondContact O-CB 3.46Å; K143-V146 VanDerWaalsContact O-CG2 3.3Å; K143-V146 WeakPolarHBondContact O-CG2 3.38Å; K143-V146 PolarHBondContact O-N 2.92Å; V146-N148 PolarHBondContact O-N 2.78Å; V146-V149 PolarHBondContact O-N 3.45Å
147	P	72.9	Confident	66.6	Low	102 Å²	102	56.2 Å²	56.2	66%	0.662	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.7	-16	-178.3	27.8	-36.4	0	0	0	113.6
148	N	70.5	Confident	66.2	Low	46 Å²	46	55.5 Å²	55.5	25%	0.246	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-99.6	3.6	-176	-64.9	-54.7	0	0	0	113	C72 P89 H119 R144 C145 V146	C72-N148 HydrophobicContact CB-CB 4.3Å; P89-N148 WeakPolarHBondContact CG-O 3.35Å; H119-N148 PolarHBondContact CE1-O 2.82Å; H119-N148 PolarHBondContact NE2-O 3.16Å; R144-N148 PolarHBondContact O-ND2 2.96Å; C145-N148 CarbonylContact O-C 3.58Å; C145-N148 WeakPolarHBondContact O-CA 3.12Å; C145-N148 WeakPolarHBondContact O-CB 3.3Å; C145-N148 PolarHBondContact O-N 3.33Å; V146-N148 PolarHBondContact O-N 2.78Å
149	V	67.4	Low	65.9	Low	10 Å²	10	52.7 Å²	52.7	6%	0.061	29%	0.29	C	S	.	.	S	Bend	trans	-94.3	131.8	179.2	169.7	0	0	0	0	109.2	F106 H119 M139 I141 C145 V146	F106-V149 HydrophobicContact CE2-CG1 4.18Å; F106-V149 HydrophobicContact CZ-CG1 4.08Å; H119-V149 HydrophobicContact CB-CG2 3.93Å; M139-V149 HydrophobicContact CE-CG1 4.11Å; M139-V149 HydrophobicContact CE-CG2 4.22Å; M139-V149 HydrophobicContact SD-CG1 3.91Å; I141-V149 HydrophobicContact CD1-CG2 3.91Å; I141-V149 HydrophobicContact CG2-CG2 4.12Å; C145-V149 WeakPolarHBondContact O-CG2 3.48Å; C145-V149 PolarHBondContact O-N 3Å; V146-V149 PolarHBondContact O-N 3.45Å
150	P	63.8	Low	65.1	Low	24 Å²	24	57.2 Å²	57.2	16%	0.156	31%	0.305	C	S	.	.			trans	-64.7	148.2	-179.5	28.1	-35.9	0	0	0	111.8	F86 H104 L152	F86-P150 HydrophobicContact CD2-CB 4.2Å; F86-P150 HydrophobicContact CD2-CG 3.91Å; F86-P150 HydrophobicContact CE2-CG 3.92Å; F86-P150 HydrophobicContact CG-CG 4.41Å; F86-P150 HydrophobicContact CZ-CG 4.43Å; H104-P150 PolarHBondContact CD2-O 3.19Å; H104-P150 VanDerWaalsContact CD2-O 3.25Å; H104-P150 PolarHBondContact NE2-O 3.4Å; P150-L152 HydrophobicContact CB-CD1 3.9Å; P150-L152 HydrophobicContact CB-CG 4.1Å; P150-L152 HydrophobicContact CG-CD1 4.15Å; P150-L152 PolarHBondContact O-N 2.62Å
151	N	63.3	Low	64.8	Low	80 Å²	80	59.6 Å²	59.6	43%	0.428	31%	0.311	S	S	.	.	S	Bend	trans	-76.9	66.7	176.4	-70.4	-39	0	0	0	111.3	A102 K103	A102-N151 WeakPolarHBondContact CB-O 3.3Å; A102-N151 CarbonylContact O-C 3.58Å; A102-N151 VanDerWaalsContact O-O 3.1Å; K103-N151 HydrophobicContact CG-CB 4.22Å
152	L	60	Low	64.7	Low	61 Å²	61	59.6 Å²	59.6	32%	0.319	31%	0.311	S	S	.	.			trans	-128.8	42.8	-175.7	-62.2	172.2	0	0	0	112	F86 A102 P150 G154 T155	F86-L152 HydrophobicContact CB-CD1 4.04Å; A102-L152 PolarHBondContact O-N 3.12Å; P150-L152 HydrophobicContact CB-CD1 3.9Å; P150-L152 HydrophobicContact CB-CG 4.1Å; P150-L152 HydrophobicContact CG-CD1 4.15Å; P150-L152 PolarHBondContact O-N 2.62Å; L152-G154 PolarHBondContact O-N 3.47Å; L152-T155 PolarHBondContact O-OG1 3.01Å
153	C	53.3	Low	65	Low	15 Å²	15	59.3 Å²	59.3	10%	0.101	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	125.9	-178.1	-173.2	0	0	0	0	112	A102 K103 H104 H136 T155	A102-C153 VanDerWaalsContact O-CB 3.28Å; A102-C153 WeakPolarHBondContact O-CB 3.22Å; A102-C153 PolarHBondContact O-N 3.08Å; K103-C153 WeakPolarHBondContact O-CB 3.21Å; H104-C153 HydrophobicContact CB-CB 4.24Å; H136-C153 VanDerWaalsContact CB-SG 3.55Å; C153-T155 VanDerWaalsContact C-N 3.35Å
154	G	47.2	Very low	65.7	Low	62 Å²	62	54.1 Å²	54.1	64%	0.639	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	1.1	175.2	0	0	0	0	0	115.1	L152	L152-G154 PolarHBondContact O-N 3.47Å
155	T	48.3	Very low	66.6	Low	64 Å²	64	50 Å²	50	39%	0.393	27%	0.274	S	S	.	.			trans	-101.8	111.7	167.3	37	0	0	0	0	109.7	L152 C153 H157	L152-T155 PolarHBondContact O-OG1 3.01Å; C153-T155 VanDerWaalsContact C-N 3.35Å; T155-H157 VanDerWaalsContact C-N 3.29Å; T155-H157 VanDerWaalsContact CB-CD2 3.5Å; T155-H157 WeakPolarHBondContact CB-CD2 3.49Å; T155-H157 WeakPolarHBondContact CB-NE2 3.36Å; T155-H157 PolarHBondContact O-CD2 3.46Å; T155-H157 PolarHBondContact O-N 2.89Å; T155-H157 PolarHBondContact OG1-CD2 3.25Å; T155-H157 VanDerWaalsContact OG1-CD2 3.23Å; T155-H157 PolarHBondContact OG1-NE2 3.08Å
156	D	44.9	Very low	67.4	Low	106 Å²	106	49.8 Å²	49.8	57%	0.567	27%	0.272	S	S	*	.			trans	-77.3	82.2	174.1	-177.2	5.7	0	0	0	110	T158 K278	D156-T158 PolarHBondContact O-N 3.47Å; D156-T158 PolarHBondContact OD1-N 3.03Å; D156-T158 PolarHBondContact OD1-OG1 2.77Å; D156-K278 IonicContact OD1-NZ 2.76Å; D156-K278 PolarHBondContact OD1-NZ 3.5Å; D156-K278 IonicContact OD2-NZ 2.84Å; D156-K278 PolarHBondContact OD2-NZ 3.31Å
157	H	46.2	Very low	68.3	Low	91 Å²	91	49.1 Å²	49.1	42%	0.421	27%	0.269	S	S	.	.			trans	-78.2	2.6	177.4	-67.9	-68.7	0	0	0	113.9	T155 E159	T155-H157 VanDerWaalsContact C-N 3.29Å; T155-H157 VanDerWaalsContact CB-CD2 3.5Å; T155-H157 WeakPolarHBondContact CB-CD2 3.49Å; T155-H157 WeakPolarHBondContact CB-NE2 3.36Å; T155-H157 PolarHBondContact O-CD2 3.46Å; T155-H157 PolarHBondContact O-N 2.89Å; T155-H157 PolarHBondContact OG1-CD2 3.25Å; T155-H157 VanDerWaalsContact OG1-CD2 3.23Å; T155-H157 PolarHBondContact OG1-NE2 3.08Å; H157-E159 PolarHBondContact O-N 2.97Å
158	T	49.6	Very low	69.4	Low	39 Å²	39	44.3 Å²	44.3	24%	0.239	24%	0.238	C	C	.	.			trans	-91.1	89.1	-179.2	63.1	0	0	0	0	108.2	D156 R160 K278	D156-T158 PolarHBondContact O-N 3.47Å; D156-T158 PolarHBondContact OD1-N 3.03Å; D156-T158 PolarHBondContact OD1-OG1 2.77Å; T158-R160 VanDerWaalsContact CB-CG 3.45Å; T158-R160 WeakPolarHBondContact O-CG 3.38Å; T158-R160 PolarHBondContact O-N 3.3Å; T158-R160 VanDerWaalsContact OG1-CG 3.31Å; T158-R160 WeakPolarHBondContact OG1-CG 3.35Å; T158-R160 PolarHBondContact OG1-NE 2.8Å; T158-K278 VanDerWaalsContact O-CE 3.26Å; T158-K278 WeakPolarHBondContact O-CE 3.17Å; T158-K278 PolarHBondContact O-NZ 2.98Å
159	E	61.5	Low	70.5	Confident	42 Å²	42	46 Å²	46	20%	0.196	25%	0.245	C	C	.	.			trans	-64.1	57.2	160.3	-66.8	179.7	-179.2	0	0	109.1	H157 R161 G162 R163 N184	H157-E159 PolarHBondContact O-N 2.97Å; E159-R161 PolarHBondContact O-N 2.94Å; E159-G162 PolarHBondContact O-N 3.32Å; E159-R163 WeakPolarHBondContact OE1-CD 3.42Å; E159-R163 IonicContact OE1-CZ 2.76Å; E159-R163 IonicContact OE1-NH1 2.96Å; E159-R163 PolarHBondContact OE1-NH1 3.15Å; E159-R163 IonicContact OE2-CZ 2.93Å; E159-R163 IonicContact OE2-NH1 3.29Å; E159-R163 PolarHBondContact OE2-NH1 2.99Å; E159-N184 PolarHBondContact OE2-ND2 2.82Å
160	R	59.4	Low	71.8	Confident	131 Å²	131	46.7 Å²	46.7	49%	0.494	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.7	-163.9	-66.3	-178.9	-171.9	-170.8	-1.4	114.1	T158 I186	T158-R160 VanDerWaalsContact CB-CG 3.45Å; T158-R160 WeakPolarHBondContact O-CG 3.38Å; T158-R160 PolarHBondContact O-N 3.3Å; T158-R160 VanDerWaalsContact OG1-CG 3.31Å; T158-R160 WeakPolarHBondContact OG1-CG 3.35Å; T158-R160 PolarHBondContact OG1-NE 2.8Å; R160-I186 WeakPolarHBondContact O-CG2 3.39Å
161	R	74.8	Confident	73.1	Confident	82 Å²	82	51.2 Å²	51.2	31%	0.309	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	7.6	-178.3	-63.8	175.8	175.5	-77.9	-5.3	112.3	E159 M258 L279 L280	E159-R161 PolarHBondContact O-N 2.94Å; R161-M258 WeakPolarHBondContact CD-O 3.43Å; R161-M258 PolarHBondContact NH1-O 3.34Å; R161-L279 HydrophobicContact CB-CB 3.9Å; R161-L279 VanDerWaalsContact O-CD1 3.29Å; R161-L279 WeakPolarHBondContact O-CD1 3.35Å; R161-L280 WeakPolarHBondContact CD-O 3.3Å
162	G	79.8	Confident	74.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.			trans	86.2	-171.3	-171.2	0	0	0	0	0	113.9	E159 R183 N184 L279	E159-G162 PolarHBondContact O-N 3.32Å; G162-R183 CarbonylContact C-O 3.58Å; G162-R183 WeakPolarHBondContact CA-O 3.46Å; G162-N184 WeakPolarHBondContact CA-O 3.5Å; G162-N184 PolarHBondContact N-O 2.86Å; G162-L279 WeakPolarHBondContact O-CB 3.43Å; G162-L279 PolarHBondContact O-N 3.16Å
163	R	87.9	Confident	75.5	Confident	7 Å²	7	56.1 Å²	56.1	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.9	175.9	58.9	171	-169.5	-116.3	-3.4	110.3	E159 A182 R183 W276 F277 E295	E159-R163 WeakPolarHBondContact OE1-CD 3.42Å; E159-R163 IonicContact OE1-CZ 2.76Å; E159-R163 IonicContact OE1-NH1 2.96Å; E159-R163 PolarHBondContact OE1-NH1 3.15Å; E159-R163 IonicContact OE2-CZ 2.93Å; E159-R163 IonicContact OE2-NH1 3.29Å; E159-R163 PolarHBondContact OE2-NH1 2.99Å; R163-A182 CarbonylContact O-C 3.54Å; R163-A182 WeakPolarHBondContact O-CA 3.4Å; R163-A182 VanDerWaalsContact O-CB 3.31Å; R163-A182 WeakPolarHBondContact O-CB 3.45Å; R163-R183 HydrophobicContact CG-CB 4.18Å; R163-R183 PolarHBondContact N-O 3.28Å; R163-R183 PolarHBondContact O-N 2.83Å; R163-W276 HydrophobicContact CB-CE3 4Å; R163-W276 HydrophobicContact CB-CZ3 4.47Å; R163-W276 VanDerWaalsContact CD-CE3 3.43Å; R163-W276 HydrophobicContact CG-CE3 3.54Å; R163-W276 HydrophobicContact CG-CZ3 3.72Å; R163-F277 CarbonylContact C-O 3.57Å; R163-F277 VanDerWaalsContact CA-O 3.22Å; R163-F277 WeakPolarHBondContact CA-O 3.42Å; R163-F277 WeakPolarHBondContact CB-O 3.38Å; R163-E295 IonicContact CZ-OE1 2.69Å; R163-E295 IonicContact NH1-OE1 2.87Å; R163-E295 PolarHBondContact NH1-OE1 3.3Å; R163-E295 VanDerWaalsContact NH1-OE1 3.12Å; R163-E295 IonicContact NH2-OE1 2.72Å; R163-E295 PolarHBondContact NH2-OE1 3.44Å; R163-E295 IonicContact NH2-OE2 2.91Å; R163-E295 PolarHBondContact NH2-OE2 2.98Å
164	I	94	Very high	77.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.4	-178.4	-171	170	0	0	0	110.1	I166 I179 E181 A182 V198 W225 V246 L261 F277 L279	I164-I166 HydrophobicContact CD1-CD1 4.24Å; I164-I166 HydrophobicContact CD1-CG1 4.28Å; I164-I166 HydrophobicContact CG1-CD1 4.25Å; I164-I166 HydrophobicContact CG1-CG1 3.94Å; I164-I166 HydrophobicContact CG2-CD1 3.71Å; I164-I166 HydrophobicContact CG2-CG1 4.1Å; I164-I179 HydrophobicContact CD1-CG2 4.21Å; I164-E181 CarbonylContact C-O 3.56Å; I164-E181 WeakPolarHBondContact CA-O 3.34Å; I164-E181 WeakPolarHBondContact CG1-O 3.5Å; I164-A182 HydrophobicContact CB-CB 4.21Å; I164-A182 HydrophobicContact CG1-CB 4.19Å; I164-V198 HydrophobicContact CD1-CG2 4.04Å; I164-W225 HydrophobicContact CD1-CZ3 4.42Å; I164-V246 HydrophobicContact CD1-CG2 4Å; I164-L261 HydrophobicContact CG2-CD2 3.43Å; I164-L261 VanDerWaalsContact CG2-CD2 3.43Å; I164-F277 PolarHBondContact N-O 2.8Å; I164-F277 PolarHBondContact O-N 3.36Å; I164-L279 HydrophobicContact CB-CD1 4.48Å; I164-L279 HydrophobicContact CB-CD2 4.3Å; I164-L279 HydrophobicContact CB-CG 4.37Å; I164-L279 HydrophobicContact CG2-CD2 3.77Å; I164-L279 HydrophobicContact CG2-CG 4.09Å
165	E	96.3	Very high	79.8	Confident	39 Å²	39	54.1 Å²	54.1	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.7	176.1	-160.1	-166.5	164.2	0	0	109.9	K180 E181 G275 W276	E165-K180 HydrophobicContact CB-CB 4.22Å; E165-K180 HydrophobicContact CB-CD 4.47Å; E165-K180 HydrophobicContact CG-CD 3.89Å; E165-K180 PolarHBondContact O-N 3.4Å; E165-K180 VanDerWaalsContact O-N 3.12Å; E165-K180 VanDerWaalsContact OE1-CD 3.23Å; E165-K180 WeakPolarHBondContact OE1-CD 3.48Å; E165-K180 IonicContact OE1-NZ 3.62Å; E165-K180 PolarHBondContact OE1-NZ 3.11Å; E165-E181 HydrophobicContact CB-CG 4.29Å; E165-E181 PolarHBondContact N-O 3.38Å; E165-G275 WeakPolarHBondContact CA-O 3.3Å; E165-W276 HydrophobicContact CB-CD2 3.86Å; E165-W276 HydrophobicContact CB-CE3 3.9Å; E165-W276 HydrophobicContact CB-CG 4.5Å; E165-W276 HydrophobicContact CB-CH2 4.03Å; E165-W276 HydrophobicContact CB-CZ2 3.98Å; E165-W276 HydrophobicContact CB-CZ3 3.99Å; E165-W276 HydrophobicContact CG-CD2 4.16Å; E165-W276 HydrophobicContact CG-CG 4.36Å; E165-W276 HydrophobicContact CG-CZ2 4.41Å
166	I	95.8	Very high	82.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.7	-173.2	-57.8	173.8	0	0	0	109.1	I164 V177 I179 V244 L261 F263 D274 G275 F277	I164-I166 HydrophobicContact CD1-CD1 4.24Å; I164-I166 HydrophobicContact CD1-CG1 4.28Å; I164-I166 HydrophobicContact CG1-CD1 4.25Å; I164-I166 HydrophobicContact CG1-CG1 3.94Å; I164-I166 HydrophobicContact CG2-CD1 3.71Å; I164-I166 HydrophobicContact CG2-CG1 4.1Å; I166-V177 HydrophobicContact CG2-CG1 4.18Å; I166-I179 HydrophobicContact CD1-CD1 4.24Å; I166-I179 HydrophobicContact CG1-CD1 3.95Å; I166-I179 HydrophobicContact CG2-CD1 4.21Å; I166-V244 HydrophobicContact CD1-CB 4.33Å; I166-V244 HydrophobicContact CD1-CG1 3.88Å; I166-V244 HydrophobicContact CD1-CG2 4.21Å; I166-L261 HydrophobicContact CD1-CD1 3.9Å; I166-L261 HydrophobicContact CD1-CD2 4.01Å; I166-L261 HydrophobicContact CD1-CG 4.38Å; I166-F263 HydrophobicContact CD1-CE2 4.28Å; I166-F263 HydrophobicContact CG2-CE2 4.33Å; I166-D274 WeakPolarHBondContact O-CA 3.4Å; I166-G275 PolarHBondContact N-O 3.29Å; I166-G275 PolarHBondContact O-N 3.1Å; I166-G275 VanDerWaalsContact O-N 3.11Å; I166-F277 HydrophobicContact CB-CD2 4.4Å
167	S	96.5	Very high	84.6	Confident	31 Å²	31	48.2 Å²	48.2	22%	0.217	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.1	163.6	-178.9	0	0	0	0	109.3	V177 T178 V273 D274	S167-V177 CarbonylContact O-C 3.47Å; S167-V177 WeakPolarHBondContact O-CA 3.41Å; S167-T178 PolarHBondContact N-O 3.1Å; S167-T178 PolarHBondContact O-N 3.06Å; S167-V273 CarbonylContact C-O 3.57Å; S167-V273 VanDerWaalsContact CA-O 3.23Å; S167-V273 WeakPolarHBondContact CA-O 3.39Å; S167-D274 WeakPolarHBondContact CB-OD1 3.5Å
168	A	95.9	Very high	87	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	127.7	175.8	0	0	0	0	0	111.2	L175 T176 V177 L242 L268 G272 V273	A168-L175 HydrophobicContact CB-CD1 4.37Å; A168-T176 VanDerWaalsContact CA-O 3.31Å; A168-T176 WeakPolarHBondContact CA-O 3.27Å; A168-V177 HydrophobicContact CB-CG1 4.29Å; A168-V177 HydrophobicContact CB-CG2 4.2Å; A168-L242 HydrophobicContact CB-CD2 4.41Å; A168-L268 HydrophobicContact CB-CD1 4.2Å; A168-L268 HydrophobicContact CB-CD2 4.16Å; A168-G272 CarbonylContact O-C 3.47Å; A168-G272 WeakPolarHBondContact O-CA 3.46Å; A168-V273 HydrophobicContact CB-CG2 3.76Å; A168-V273 PolarHBondContact N-O 3.32Å; A168-V273 PolarHBondContact O-N 3.05Å
169	E	95	Very high	89.3	Confident	83 Å²	83	43.5 Å²	43.5	39%	0.388	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.6	-176.9	-173.8	-174.8	-169.8	0	0	110.6	K171 T176	E169-K171 VanDerWaalsContact CD-CE 3.46Å; E169-K171 HydrophobicContact CG-CG 4.35Å; E169-K171 WeakPolarHBondContact OE1-CE 3.4Å; E169-K171 IonicContact OE1-NZ 3.49Å; E169-K171 PolarHBondContact OE1-NZ 2.79Å; E169-K171 WeakPolarHBondContact OE2-CE 3.32Å; E169-K171 IonicContact OE2-NZ 3.58Å; E169-K171 PolarHBondContact OE2-NZ 2.93Å; E169-T176 PolarHBondContact N-O 3.48Å; E169-T176 PolarHBondContact O-N 3.3Å
170	V	93.8	Very high	90.9	Very high	24 Å²	24	43.7 Å²	43.7	15%	0.145	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.2	173.4	-175.2	0	0	0	0	110	V174 L175 L233 L268 Q269	V170-V174 WeakPolarHBondContact CA-O 3.4Å; V170-L175 HydrophobicContact CG2-CB 4.07Å; V170-L175 HydrophobicContact CG2-CD1 3.74Å; V170-L233 HydrophobicContact CG1-CD1 3.71Å; V170-L233 HydrophobicContact CG2-CD1 3.97Å; V170-L268 HydrophobicContact CG2-CB 3.94Å; V170-Q269 HydrophobicContact CB-CG 4.05Å; V170-Q269 HydrophobicContact CG1-CG 3.9Å; V170-Q269 HydrophobicContact CG2-CG 4.08Å
171	K	91.3	Very high	92.6	Very high	119 Å²	119	39.1 Å²	39.1	52%	0.517	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.7	170.7	-73.9	-176.9	169.1	125.5	0	109.6	E169 N173 V174	E169-K171 VanDerWaalsContact CD-CE 3.46Å; E169-K171 HydrophobicContact CG-CG 4.35Å; E169-K171 WeakPolarHBondContact OE1-CE 3.4Å; E169-K171 IonicContact OE1-NZ 3.49Å; E169-K171 PolarHBondContact OE1-NZ 2.79Å; E169-K171 WeakPolarHBondContact OE2-CE 3.32Å; E169-K171 IonicContact OE2-NZ 3.58Å; E169-K171 PolarHBondContact OE2-NZ 2.93Å; K171-N173 VanDerWaalsContact C-N 3.32Å; K171-N173 PolarHBondContact O-N 2.9Å; K171-V174 PolarHBondContact N-O 3.24Å; K171-V174 WeakPolarHBondContact O-CB 3.47Å; K171-V174 PolarHBondContact O-N 2.78Å
172	T	86.6	Confident	93.4	Very high	140 Å²	140	35.2 Å²	35.2	86%	0.859	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	46.6	171.4	-30.3	0	0	0	0	112.8	V174	T172-V174 PolarHBondContact O-N 3.41Å
173	N	88	Confident	93.6	Very high	104 Å²	104	39.2 Å²	39.2	56%	0.556	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	16	-175.1	-59.7	-35.9	0	0	0	115.8	K171 L233	K171-N173 VanDerWaalsContact C-N 3.32Å; K171-N173 PolarHBondContact O-N 2.9Å; N173-L233 WeakPolarHBondContact O-CB 3.46Å; N173-L233 PolarHBondContact O-N 2.89Å
174	V	94.7	Very high	93.1	Very high	35 Å²	35	41.2 Å²	41.2	21%	0.212	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.8	171.6	-176.3	0	0	0	0	108.7	V170 K171 T172 K230 F231	V170-V174 WeakPolarHBondContact CA-O 3.4Å; K171-V174 PolarHBondContact N-O 3.24Å; K171-V174 WeakPolarHBondContact O-CB 3.47Å; K171-V174 PolarHBondContact O-N 2.78Å; T172-V174 PolarHBondContact O-N 3.41Å; V174-K230 HydrophobicContact CG1-CB 4.14Å; V174-K230 HydrophobicContact CG1-CD 4.41Å; V174-K230 HydrophobicContact CG1-CG 4.36Å; V174-F231 WeakPolarHBondContact CA-O 3.27Å
175	L	95.6	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.2	169	167.9	67.9	0	0	0	108.5	A168 V170 V177 L202 K230 F231 L233 L242 I265 L268	A168-L175 HydrophobicContact CB-CD1 4.37Å; V170-L175 HydrophobicContact CG2-CB 4.07Å; V170-L175 HydrophobicContact CG2-CD1 3.74Å; L175-V177 HydrophobicContact CD1-CG2 3.97Å; L175-V177 HydrophobicContact CD2-CG2 4Å; L175-V177 HydrophobicContact CG-CG2 3.72Å; L175-L202 HydrophobicContact CD2-CD2 4.25Å; L175-K230 CarbonylContact O-C 3.51Å; L175-K230 WeakPolarHBondContact O-CA 3.36Å; L175-F231 HydrophobicContact CB-CB 4.15Å; L175-F231 HydrophobicContact CD2-CB 4.3Å; L175-F231 HydrophobicContact CD2-CD2 4.11Å; L175-F231 HydrophobicContact CD2-CG 4.39Å; L175-F231 HydrophobicContact CG-CD2 4.38Å; L175-F231 PolarHBondContact N-O 3.44Å; L175-F231 PolarHBondContact O-N 3.2Å; L175-L233 HydrophobicContact CB-CD1 3.98Å; L175-L233 HydrophobicContact CB-CD2 4.08Å; L175-L233 HydrophobicContact CB-CG 4.02Å; L175-L233 HydrophobicContact CD2-CD2 4.5Å; L175-L242 HydrophobicContact CD2-CB 4.35Å; L175-L242 HydrophobicContact CD2-CD1 4.17Å; L175-L242 HydrophobicContact CD2-CD2 4.23Å; L175-L242 HydrophobicContact CD2-CG 4.48Å; L175-I265 HydrophobicContact CD2-CD1 3.71Å; L175-L268 HydrophobicContact CD1-CD1 3.76Å
176	T	96.8	Very high	90.9	Very high	45 Å²	45	41.1 Å²	41.1	28%	0.276	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.5	173.3	-56.4	0	0	0	0	108.3	A168 E169 T228 F229	A168-T176 VanDerWaalsContact CA-O 3.31Å; A168-T176 WeakPolarHBondContact CA-O 3.27Å; E169-T176 PolarHBondContact N-O 3.48Å; E169-T176 PolarHBondContact O-N 3.3Å; T176-T228 HydrophobicContact CG2-CG2 3.44Å; T176-T228 VanDerWaalsContact CG2-CG2 3.44Å; T176-F229 WeakPolarHBondContact CA-O 3.28Å
177	V	97.3	Very high	89.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.5	-179.4	-172.5	0	0	0	0	108.7	I166 S167 A168 L175 I179 L200 T228 F229 F231 L242	I166-V177 HydrophobicContact CG2-CG1 4.18Å; S167-V177 CarbonylContact O-C 3.47Å; S167-V177 WeakPolarHBondContact O-CA 3.41Å; A168-V177 HydrophobicContact CB-CG1 4.29Å; A168-V177 HydrophobicContact CB-CG2 4.2Å; L175-V177 HydrophobicContact CD1-CG2 3.97Å; L175-V177 HydrophobicContact CD2-CG2 4Å; L175-V177 HydrophobicContact CG-CG2 3.72Å; V177-I179 HydrophobicContact CG1-CD1 4.16Å; V177-L200 HydrophobicContact CG1-CD2 4.04Å; V177-T228 CarbonylContact O-C 3.6Å; V177-T228 WeakPolarHBondContact O-CA 3.22Å; V177-F229 PolarHBondContact N-O 3.1Å; V177-F229 PolarHBondContact O-N 3.45Å; V177-F231 HydrophobicContact CG2-CD2 4.25Å; V177-F231 HydrophobicContact CG2-CE2 4.17Å; V177-L242 HydrophobicContact CB-CD2 4.43Å; V177-L242 HydrophobicContact CG1-CD2 4.05Å; V177-L242 HydrophobicContact CG2-CD1 4.22Å; V177-L242 HydrophobicContact CG2-CD2 3.5Å; V177-L242 VanDerWaalsContact CG2-CD2 3.5Å
178	T	97.3	Very high	88.4	Confident	32 Å²	32	43.8 Å²	43.8	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.5	174.2	-58.1	0	0	0	0	109.3	S167 K180 E227 T228	S167-T178 PolarHBondContact N-O 3.1Å; S167-T178 PolarHBondContact O-N 3.06Å; T178-K180 HydrophobicContact CG2-CG 4.14Å; T178-E227 WeakPolarHBondContact CA-O 3.26Å; T178-T228 PolarHBondContact OG1-OG1 3.05Å
179	I	97.4	Very high	86.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	108.7	171.7	-58.1	-56.8	0	0	0	107.3	I164 I166 V177 V198 L200 T214 W225 N226 E227 F229 V244	I164-I179 HydrophobicContact CD1-CG2 4.21Å; I166-I179 HydrophobicContact CD1-CD1 4.24Å; I166-I179 HydrophobicContact CG1-CD1 3.95Å; I166-I179 HydrophobicContact CG2-CD1 4.21Å; V177-I179 HydrophobicContact CG1-CD1 4.16Å; I179-V198 HydrophobicContact CD1-CG1 4.26Å; I179-V198 HydrophobicContact CG1-CG1 4.28Å; I179-V198 HydrophobicContact CG2-CB 4.31Å; I179-V198 HydrophobicContact CG2-CG2 3.87Å; I179-L200 HydrophobicContact CD1-CD2 4.25Å; I179-L200 HydrophobicContact CG1-CD1 4.15Å; I179-T214 HydrophobicContact CB-CG2 4.24Å; I179-T214 HydrophobicContact CG1-CG2 4.39Å; I179-T214 HydrophobicContact CG2-CG2 4.29Å; I179-W225 HydrophobicContact CG2-CB 4.37Å; I179-W225 HydrophobicContact CG2-CD2 4.17Å; I179-W225 HydrophobicContact CG2-CE3 3.66Å; I179-W225 HydrophobicContact CG2-CG 4.5Å; I179-W225 HydrophobicContact CG2-CZ3 4.24Å; I179-N226 VanDerWaalsContact O-CA 3.27Å; I179-N226 WeakPolarHBondContact O-CA 3.49Å; I179-N226 PolarHBondContact O-N 3.46Å; I179-E227 PolarHBondContact N-O 2.85Å; I179-E227 PolarHBondContact O-N 2.94Å; I179-F229 HydrophobicContact CG1-CD2 4.49Å; I179-F229 HydrophobicContact CG1-CE2 4.27Å; I179-V244 HydrophobicContact CD1-CG1 4.03Å
180	K	95.7	Very high	84.8	Confident	45 Å²	45	48 Å²	48	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-76.2	-175.2	-63.7	175.4	-175.5	173.5	0	110.4	E165 T178 T224 W225 N226 D274	E165-K180 HydrophobicContact CB-CB 4.22Å; E165-K180 HydrophobicContact CB-CD 4.47Å; E165-K180 HydrophobicContact CG-CD 3.89Å; E165-K180 PolarHBondContact O-N 3.4Å; E165-K180 VanDerWaalsContact O-N 3.12Å; E165-K180 VanDerWaalsContact OE1-CD 3.23Å; E165-K180 WeakPolarHBondContact OE1-CD 3.48Å; E165-K180 IonicContact OE1-NZ 3.62Å; E165-K180 PolarHBondContact OE1-NZ 3.11Å; T178-K180 HydrophobicContact CG2-CG 4.14Å; K180-T224 CarbonylContact O-C 3.59Å; K180-W225 PolarHBondContact O-N 3.31Å; K180-N226 PolarHBondContact O-N 3.06Å; K180-D274 WeakPolarHBondContact CE-OD1 3.49Å; K180-D274 IonicContact NZ-OD1 3.75Å; K180-D274 PolarHBondContact NZ-OD1 3.49Å; K180-D274 IonicContact NZ-OD2 2.77Å
181	E	94.2	Very high	83.2	Confident	36 Å²	36	51 Å²	51	17%	0.168	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	164.3	-178.7	56.7	170.8	-153	0	0	112.5	I164 E165 R183 P223 T224 W276	I164-E181 CarbonylContact C-O 3.56Å; I164-E181 WeakPolarHBondContact CA-O 3.34Å; I164-E181 WeakPolarHBondContact CG1-O 3.5Å; E165-E181 HydrophobicContact CB-CG 4.29Å; E165-E181 PolarHBondContact N-O 3.38Å; E181-R183 IonicContact OE1-CZ 2.81Å; E181-R183 VanDerWaalsContact OE1-CZ 3.29Å; E181-R183 IonicContact OE1-NE 2.8Å; E181-R183 PolarHBondContact OE1-NE 3.3Å; E181-R183 IonicContact OE1-NH2 2.74Å; E181-R183 PolarHBondContact OE1-NH2 3.26Å; E181-P223 CarbonylContact C-O 3.54Å; E181-P223 WeakPolarHBondContact CA-O 3.39Å; E181-P223 VanDerWaalsContact CB-O 3.31Å; E181-P223 WeakPolarHBondContact CB-O 3.25Å; E181-T224 HydrophobicContact CB-CG2 4.26Å; E181-T224 PolarHBondContact OE2-OG1 2.85Å; E181-W276 HydrophobicContact CG-CH2 3.65Å; E181-W276 HydrophobicContact CG-CZ2 4.06Å; E181-W276 VanDerWaalsContact OE1-CH2 3.28Å; E181-W276 WeakPolarHBondContact OE1-CH2 3.18Å; E181-W276 WeakPolarHBondContact OE1-CZ2 3.44Å
182	A	91.9	Very high	81.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155.1	165.5	0	0	0	0	0	110.3	R163 I164 L185 N222 P223 W225	R163-A182 CarbonylContact O-C 3.54Å; R163-A182 WeakPolarHBondContact O-CA 3.4Å; R163-A182 VanDerWaalsContact O-CB 3.31Å; R163-A182 WeakPolarHBondContact O-CB 3.45Å; I164-A182 HydrophobicContact CB-CB 4.21Å; I164-A182 HydrophobicContact CG1-CB 4.19Å; A182-L185 HydrophobicContact CB-CD1 3.99Å; A182-L185 HydrophobicContact CB-CD2 3.87Å; A182-L185 HydrophobicContact CB-CG 3.96Å; A182-N222 CarbonylContact O-C 3.48Å; A182-N222 VanDerWaalsContact O-C 3.23Å; A182-N222 WeakPolarHBondContact O-CA 3.47Å; A182-P223 HydrophobicContact CB-CG 3.99Å; A182-P223 PolarHBondContact N-O 3.44Å; A182-P223 WeakPolarHBondContact O-CD 3.21Å; A182-W225 HydrophobicContact CB-CH2 3.94Å; A182-W225 HydrophobicContact CB-CZ3 3.67Å
183	R	83.9	Confident	80.7	Confident	84 Å²	84	43.1 Å²	43.1	32%	0.317	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.5	178.3	-69.9	179.2	-170.2	-160.2	6.2	111.1	G162 R163 E181 L185 N222 W276 E295	G162-R183 CarbonylContact C-O 3.58Å; G162-R183 WeakPolarHBondContact CA-O 3.46Å; R163-R183 HydrophobicContact CG-CB 4.18Å; R163-R183 PolarHBondContact N-O 3.28Å; R163-R183 PolarHBondContact O-N 2.83Å; E181-R183 IonicContact OE1-CZ 2.81Å; E181-R183 VanDerWaalsContact OE1-CZ 3.29Å; E181-R183 IonicContact OE1-NE 2.8Å; E181-R183 PolarHBondContact OE1-NE 3.3Å; E181-R183 IonicContact OE1-NH2 2.74Å; E181-R183 PolarHBondContact OE1-NH2 3.26Å; R183-L185 VanDerWaalsContact C-N 3.26Å; R183-L185 PolarHBondContact O-N 2.87Å; R183-N222 WeakPolarHBondContact CA-OD1 3.34Å; R183-W276 HydrophobicContact CB-CH2 4.27Å; R183-W276 HydrophobicContact CB-CZ3 4.21Å; R183-W276 HydrophobicContact CG-CH2 3.64Å; R183-W276 HydrophobicContact CG-CZ3 4.07Å; R183-E295 IonicContact NH1-OE2 3.52Å
184	N	76.6	Confident	80.4	Confident	48 Å²	48	38.2 Å²	38.2	26%	0.257	21%	0.213	S	C	.	.	S	Bend	trans	56.3	37.5	177.3	-52.9	-40.9	0	0	0	113	E159 G162 L221 N222	E159-N184 PolarHBondContact OE2-ND2 2.82Å; G162-N184 WeakPolarHBondContact CA-O 3.5Å; G162-N184 PolarHBondContact N-O 2.86Å; N184-L221 PolarHBondContact N-O 2.8Å; N184-N222 PolarHBondContact N-OD1 3.29Å
185	L	73.4	Confident	80.2	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.3	152.4	176.5	-65.8	-175.4	0	0	0	111.3	A182 R183 P196 L221 P223 W225 V246 M258 L279	A182-L185 HydrophobicContact CB-CD1 3.99Å; A182-L185 HydrophobicContact CB-CD2 3.87Å; A182-L185 HydrophobicContact CB-CG 3.96Å; R183-L185 VanDerWaalsContact C-N 3.26Å; R183-L185 PolarHBondContact O-N 2.87Å; L185-P196 HydrophobicContact CD1-CB 3.7Å; L185-P196 HydrophobicContact CD1-CG 3.95Å; L185-L221 HydrophobicContact CB-CB 4.42Å; L185-L221 HydrophobicContact CB-CD2 4.43Å; L185-L221 WeakPolarHBondContact CB-O 3.39Å; L185-L221 WeakPolarHBondContact CG-O 3.44Å; L185-L221 PolarHBondContact N-O 2.71Å; L185-L221 WeakPolarHBondContact O-CD2 3.39Å; L185-P223 HydrophobicContact CD1-CG 3.58Å; L185-W225 HydrophobicContact CD1-CH2 4.49Å; L185-V246 HydrophobicContact CD1-CG1 4.15Å; L185-V246 HydrophobicContact CD2-CG1 4.49Å; L185-M258 HydrophobicContact CB-CE 3.84Å; L185-M258 HydrophobicContact CD1-CE 4.09Å; L185-L279 HydrophobicContact CD2-CD1 3.28Å
186	I	70.8	Confident	80.1	Confident	36 Å²	36	37.3 Å²	37.3	19%	0.185	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.6	137.2	178.6	52	174.3	0	0	0	111.4	R160 M188 S194 M258	R160-I186 WeakPolarHBondContact O-CG2 3.39Å; I186-M188 HydrophobicContact CB-SD 4.45Å; I186-M188 HydrophobicContact CD1-SD 3.5Å; I186-M188 VanDerWaalsContact CD1-SD 3.5Å; I186-M188 HydrophobicContact CG1-CG 4.29Å; I186-M188 HydrophobicContact CG1-SD 3.79Å; I186-M188 PolarHBondContact O-N 2.89Å; I186-S194 PolarHBondContact O-OG 2.81Å; I186-M258 HydrophobicContact CD1-CB 4.41Å; I186-M258 WeakPolarHBondContact CD1-O 3.24Å; I186-M258 HydrophobicContact CG1-CB 4.16Å; I186-M258 HydrophobicContact CG1-CE 4.35Å; I186-M258 WeakPolarHBondContact O-CE 3.3Å
187	P	65.6	Low	80.1	Confident	26 Å²	26	35.8 Å²	35.8	17%	0.169	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-77.4	116.7	173.8	30.9	-33.4	0	0	0	110.9	R79 G192 L193 S194 L221	R79-P187 HydrophobicContact CG-CG 4.45Å; P187-G192 WeakPolarHBondContact CB-O 3.45Å; P187-L193 WeakPolarHBondContact CA-O 3.41Å; P187-S194 WeakPolarHBondContact CA-OG 3.46Å; P187-L221 HydrophobicContact CB-CD1 4.2Å; P187-L221 HydrophobicContact CB-CD2 4.26Å
188	M	74.1	Confident	80.1	Confident	60 Å²	60	35.8 Å²	35.8	30%	0.296	20%	0.197	S	C	.	.			trans	-100.4	-25.5	179.2	-61	-51.8	-75.2	0	0	112.5	I186 L193 S194 D248 D256 M258	I186-M188 HydrophobicContact CB-SD 4.45Å; I186-M188 HydrophobicContact CD1-SD 3.5Å; I186-M188 VanDerWaalsContact CD1-SD 3.5Å; I186-M188 HydrophobicContact CG1-CG 4.29Å; I186-M188 HydrophobicContact CG1-SD 3.79Å; I186-M188 PolarHBondContact O-N 2.89Å; M188-L193 PolarHBondContact N-O 2.83Å; M188-S194 PolarHBondContact N-OG 2.82Å; M188-D248 HydrophobicContact CB-CB 3.86Å; M188-D248 WeakPolarHBondContact CB-OD2 3.4Å; M188-D248 HydrophobicContact CG-CB 4.03Å; M188-D256 HydrophobicContact CB-CB 4.45Å; M188-D256 HydrophobicContact CE-CB 3.5Å; M188-D256 HydrophobicContact CG-CB 4.47Å; M188-M258 HydrophobicContact CG-CE 4.27Å; M188-M258 HydrophobicContact CG-CG 4.02Å
189	D	61.9	Low	80.1	Confident	31 Å²	31	35.4 Å²	35.4	17%	0.166	19%	0.192	C	C	.	.	S	Bend	trans	-86.7	153.2	-179.3	-78.4	-50.1	0	0	0	114	N191 G192 L193 S194	D189-N191 WeakPolarHBondContact CB-OD1 3.36Å; D189-N191 PolarHBondContact O-N 3.08Å; D189-G192 PolarHBondContact O-N 3.49Å; D189-L193 WeakPolarHBondContact CB-O 3.48Å; D189-L193 PolarHBondContact N-O 3.34Å; D189-S194 WeakPolarHBondContact OD2-CA 3.43Å
190	P	54.7	Low	80	Confident	141 Å²	141	35.4 Å²	35.4	92%	0.916	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.2	173.1	-25.5	34.5	0	0	0	115.1	G192	P190-G192 PolarHBondContact O-N 3.34Å
191	N	60.3	Low	80	Confident	88 Å²	88	35.7 Å²	35.7	47%	0.471	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.9	176.7	65.6	12.6	0	0	0	113	D189 L193	D189-N191 WeakPolarHBondContact CB-OD1 3.36Å; D189-N191 PolarHBondContact O-N 3.08Å; N191-L193 WeakPolarHBondContact OD1-CA 3.27Å; N191-L193 WeakPolarHBondContact OD1-CB 3.27Å; N191-L193 PolarHBondContact OD1-N 2.96Å
192	G	53.7	Low	79.9	Confident	31 Å²	31	34.3 Å²	34.3	32%	0.32	19%	0.187	S	C	.	.	S	Bend	trans	80.1	14.7	-177.2	0	0	0	0	0	114.4	P187 D189 P190	P187-G192 WeakPolarHBondContact CB-O 3.45Å; D189-G192 PolarHBondContact O-N 3.49Å; P190-G192 PolarHBondContact O-N 3.34Å
193	L	71.3	Confident	79.7	Confident	62 Å²	62	35.1 Å²	35.1	33%	0.325	19%	0.191	S	C	.	.			trans	-126.1	-164.4	176.8	-60.6	168.9	0	0	0	109	P187 M188 D189 N191 C219 L221	P187-L193 WeakPolarHBondContact CA-O 3.41Å; M188-L193 PolarHBondContact N-O 2.83Å; D189-L193 WeakPolarHBondContact CB-O 3.48Å; D189-L193 PolarHBondContact N-O 3.34Å; N191-L193 WeakPolarHBondContact OD1-CA 3.27Å; N191-L193 WeakPolarHBondContact OD1-CB 3.27Å; N191-L193 PolarHBondContact OD1-N 2.96Å; L193-C219 HydrophobicContact CB-CB 4.33Å; L193-C219 HydrophobicContact CD1-CB 3.79Å; L193-C219 WeakPolarHBondContact CD1-O 3.47Å; L193-L221 HydrophobicContact CD2-CD1 4.21Å; L193-L221 HydrophobicContact CD2-CG 4.01Å
194	S	81.6	Confident	79.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.			trans	-152	161.7	173.8	-56	0	0	0	0	109.6	I186 P187 M188 D189 P196 C219 C220 D248	I186-S194 PolarHBondContact O-OG 2.81Å; P187-S194 WeakPolarHBondContact CA-OG 3.46Å; M188-S194 PolarHBondContact N-OG 2.82Å; D189-S194 WeakPolarHBondContact OD2-CA 3.43Å; S194-P196 WeakPolarHBondContact O-CD 3.22Å; S194-C219 CarbonylContact O-C 3.23Å; S194-C219 VanDerWaalsContact O-CA 3.28Å; S194-C219 WeakPolarHBondContact O-CA 3.28Å; S194-C219 PolarHBondContact O-N 3.17Å; S194-C219 VanDerWaalsContact O-N 3.09Å; S194-C220 PolarHBondContact O-N 2.95Å; S194-D248 WeakPolarHBondContact CB-OD1 3.46Å
195	D	89.7	Confident	80.1	Confident	17 Å²	17	34.9 Å²	34.9	9%	0.091	20%	0.201	C	C	.	.			trans	-102.5	66	170.2	-71.9	-8.5	0	0	0	111	T216 I217 K218 C219 D248 W249	D195-T216 HydrophobicContact CB-CG2 3.87Å; D195-T216 VanDerWaalsContact O-CG2 3.29Å; D195-T216 WeakPolarHBondContact O-CG2 3.49Å; D195-I217 CarbonylContact C-O 3.57Å; D195-I217 VanDerWaalsContact C-O 3.28Å; D195-I217 WeakPolarHBondContact CA-O 3.26Å; D195-K218 WeakPolarHBondContact OD1-CA 3.34Å; D195-K218 WeakPolarHBondContact OD1-CB 3.27Å; D195-C219 PolarHBondContact OD1-N 3.48Å; D195-D248 VanDerWaalsContact CA-OD1 3.32Å; D195-D248 WeakPolarHBondContact CA-OD1 3.1Å; D195-D248 PolarHBondContact N-OD1 3.09Å; D195-W249 HydrophobicContact CB-CB 4.09Å; D195-W249 PolarHBondContact O-N 2.69Å
196	P	93.3	Very high	80.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	142.3	-169.5	30.9	-40.7	0	0	0	114.1	L185 S194 I217 C220 P223 W225 V246 W247 M258	L185-P196 HydrophobicContact CD1-CB 3.7Å; L185-P196 HydrophobicContact CD1-CG 3.95Å; S194-P196 WeakPolarHBondContact O-CD 3.22Å; P196-I217 WeakPolarHBondContact CD-O 3.47Å; P196-I217 PolarHBondContact O-N 3.18Å; P196-C220 WeakPolarHBondContact CD-O 3.33Å; P196-C220 VanDerWaalsContact CG-O 3.23Å; P196-C220 WeakPolarHBondContact CG-O 3.14Å; P196-P223 HydrophobicContact CB-CG 4.22Å; P196-P223 HydrophobicContact CG-CB 3.8Å; P196-P223 HydrophobicContact CG-CG 3.6Å; P196-W225 HydrophobicContact CB-CH2 4.46Å; P196-W225 HydrophobicContact CB-CZ2 3.98Å; P196-W225 HydrophobicContact CG-CZ2 4.27Å; P196-V246 HydrophobicContact CB-CG1 4.22Å; P196-W247 CarbonylContact C-O 3.52Å; P196-W247 VanDerWaalsContact CA-O 3.28Å; P196-W247 WeakPolarHBondContact CA-O 3.45Å; P196-M258 HydrophobicContact CB-CE 4.32Å; P196-M258 HydrophobicContact CB-SD 3.82Å
197	Y	96.7	Very high	80.4	Confident	13 Å²	13	47.6 Å²	47.6	5%	0.051	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.1	165.2	73.7	-79.4	0	0	0	111	K213 W247 W249 N255	Y197-K213 HydrophobicContact CD2-CB 4.32Å; Y197-K213 HydrophobicContact CD2-CD 4.31Å; Y197-K213 HydrophobicContact CE2-CD 4.37Å; Y197-W247 HydrophobicContact CD1-CB 3.98Å; Y197-W247 VanDerWaalsContact CD1-O 3.27Å; Y197-W247 WeakPolarHBondContact CD1-O 3.07Å; Y197-W247 HydrophobicContact CE1-CB 3.32Å; Y197-W247 HydrophobicContact CE1-CG 4.35Å; Y197-W247 HydrophobicContact CE2-CB 4.08Å; Y197-W247 HydrophobicContact CE2-CG 4.47Å; Y197-W247 AromaticContact CZ-CG 3.93Å; Y197-W247 PolarHBondContact N-O 2.87Å; Y197-W247 PolarHBondContact O-N 2.79Å; Y197-W247 WeakPolarHBondContact OH-CB 3.01Å; Y197-W249 HydrophobicContact CD1-CB 4.03Å; Y197-W249 HydrophobicContact CE1-CB 4.18Å; Y197-N255 HydrophobicContact CE1-CB 4.34Å; Y197-N255 WeakPolarHBondContact CE1-ND2 3.16Å; Y197-N255 PolarHBondContact OH-ND2 3.36Å
198	V	97.4	Very high	81	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.3	-178.8	-173.4	0	0	0	0	110.2	I164 I179 K213 T214 W225 V244 E245 V246	I164-V198 HydrophobicContact CD1-CG2 4.04Å; I179-V198 HydrophobicContact CD1-CG1 4.26Å; I179-V198 HydrophobicContact CG1-CG1 4.28Å; I179-V198 HydrophobicContact CG2-CB 4.31Å; I179-V198 HydrophobicContact CG2-CG2 3.87Å; V198-K213 CarbonylContact O-C 3.49Å; V198-K213 WeakPolarHBondContact O-CA 3.44Å; V198-K213 WeakPolarHBondContact O-CB 3.3Å; V198-T214 HydrophobicContact CB-CG2 3.9Å; V198-T214 HydrophobicContact CG2-CG2 4.47Å; V198-T214 PolarHBondContact N-OG1 2.69Å; V198-T214 PolarHBondContact O-N 2.92Å; V198-W225 HydrophobicContact CG2-CD2 4.21Å; V198-W225 HydrophobicContact CG2-CE3 4.15Å; V198-W225 HydrophobicContact CG2-CH2 3.59Å; V198-W225 HydrophobicContact CG2-CZ2 3.7Å; V198-W225 HydrophobicContact CG2-CZ3 3.84Å; V198-V244 HydrophobicContact CG1-CG1 3.5Å; V198-E245 CarbonylContact C-O 3.43Å; V198-E245 WeakPolarHBondContact CA-O 3.42Å; V198-V246 HydrophobicContact CG2-CG2 4.2Å
199	K	96.8	Very high	81.4	Confident	23 Å²	23	54 Å²	54	10%	0.1	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.6	176.6	-172.3	-167.2	-60.3	155.7	0	109.2	K211 E245	K199-K211 HydrophobicContact CD-CD 4.28Å; K199-K211 HydrophobicContact CD-CG 4.42Å; K199-K211 HydrophobicContact CG-CD 4.43Å; K199-K211 HydrophobicContact CG-CG 4.08Å; K199-E245 HydrophobicContact CB-CB 4.46Å; K199-E245 PolarHBondContact N-O 2.86Å; K199-E245 IonicContact NZ-OE2 3.32Å; K199-E245 PolarHBondContact O-N 2.91Å
200	L	96.6	Very high	82.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.7	-178.1	-66.5	155	0	0	0	109.6	V177 I179 K211 Q212 F229 F231 L242 S243 V244	V177-L200 HydrophobicContact CG1-CD2 4.04Å; I179-L200 HydrophobicContact CD1-CD2 4.25Å; I179-L200 HydrophobicContact CG1-CD1 4.15Å; L200-K211 CarbonylContact O-C 3.49Å; L200-K211 WeakPolarHBondContact O-CA 3.42Å; L200-Q212 HydrophobicContact CB-CB 4.48Å; L200-Q212 PolarHBondContact N-O 3.39Å; L200-Q212 PolarHBondContact O-N 2.93Å; L200-F229 HydrophobicContact CD1-CB 4.04Å; L200-F229 HydrophobicContact CD1-CD1 4.19Å; L200-F229 HydrophobicContact CD1-CD2 3.17Å; L200-F229 HydrophobicContact CD1-CE2 3.59Å; L200-F229 HydrophobicContact CD1-CG 3.51Å; L200-F229 HydrophobicContact CD1-CZ 4.25Å; L200-F231 HydrophobicContact CB-CE2 4.4Å; L200-F231 HydrophobicContact CB-CZ 3.81Å; L200-L242 HydrophobicContact CD2-CD1 4.13Å; L200-S243 WeakPolarHBondContact CA-O 3.48Å; L200-V244 HydrophobicContact CD2-CB 4.29Å; L200-V244 HydrophobicContact CD2-CG1 4.06Å; L200-V244 HydrophobicContact CD2-CG2 3.78Å
201	K	94.7	Very high	84.4	Confident	52 Å²	52	52 Å²	52	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	155.8	175.7	60.3	178.9	176.6	-175.7	0	111.3	I203 S243 E245	K201-I203 HydrophobicContact CD-CG2 3.83Å; K201-I203 HydrophobicContact CG-CG2 3.9Å; K201-S243 WeakPolarHBondContact CE-OG 3.3Å; K201-S243 PolarHBondContact N-O 3.39Å; K201-S243 VanDerWaalsContact N-O 3.12Å; K201-S243 PolarHBondContact O-N 3.48Å; K201-E245 WeakPolarHBondContact CE-OE1 3.46Å; K201-E245 IonicContact NZ-OE1 2.72Å; K201-E245 PolarHBondContact NZ-OE1 3.45Å
202	L	93.1	Very high	86.1	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	103.9	173.9	-64.8	179.4	0	0	0	110.3	L175 P204 D205 S210 F231 L233 R241 L242 I265	L175-L202 HydrophobicContact CD2-CD2 4.25Å; L202-P204 CarbonylContact O-C 3.5Å; L202-D205 VanDerWaalsContact O-CB 3.3Å; L202-D205 WeakPolarHBondContact O-CB 3.41Å; L202-S210 PolarHBondContact N-OG 3.06Å; L202-F231 HydrophobicContact CD1-CB 4.39Å; L202-F231 HydrophobicContact CD1-CD1 4.06Å; L202-F231 HydrophobicContact CD2-CD1 4.44Å; L202-F231 HydrophobicContact CG-CD1 3.95Å; L202-F231 HydrophobicContact CG-CE1 4.37Å; L202-L233 HydrophobicContact CD1-CD2 4.14Å; L202-R241 CarbonylContact C-O 3.52Å; L202-R241 WeakPolarHBondContact CA-O 3.45Å; L202-L242 HydrophobicContact CD2-CB 4.45Å; L202-L242 HydrophobicContact CD2-CD1 4.34Å; L202-I265 HydrophobicContact CD2-CD1 3.74Å; L202-I265 HydrophobicContact CD2-CG1 4.24Å
203	I	88.4	Confident	88.1	Confident	17 Å²	17	55.4 Å²	55.4	9%	0.087	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	144.5	-178.3	59.4	172.4	0	0	0	112.7	K201 R240 R241 E286	K201-I203 HydrophobicContact CD-CG2 3.83Å; K201-I203 HydrophobicContact CG-CG2 3.9Å; I203-R240 CarbonylContact O-C 3.6Å; I203-R240 VanDerWaalsContact O-CA 3.3Å; I203-R240 WeakPolarHBondContact O-CA 3.5Å; I203-R240 VanDerWaalsContact O-CB 3.27Å; I203-R240 WeakPolarHBondContact O-CB 3.44Å; I203-R241 HydrophobicContact CD1-CB 4.26Å; I203-R241 HydrophobicContact CG1-CB 3.78Å; I203-R241 WeakPolarHBondContact CG1-O 3.24Å; I203-R241 PolarHBondContact N-O 2.97Å; I203-R241 PolarHBondContact O-N 3.19Å; I203-E286 HydrophobicContact CD1-CG 3.7Å; I203-E286 WeakPolarHBondContact CD1-O 2.98Å
204	P	84.1	Confident	89.3	Confident	93 Å²	93	52.7 Å²	52.7	60%	0.604	26%	0.263	S	S	*	.	S	Bend	cis	-70.1	133.8	-6	27.9	-34.4	0	0	0	112.9	L202 P206	L202-P204 CarbonylContact O-C 3.5Å; P204-P206 VanDerWaalsContact O-CD 3.28Å; P204-P206 WeakPolarHBondContact O-CD 3.33Å
205	D	83.3	Confident	90	Very high	33 Å²	33	60.2 Å²	60.2	18%	0.176	30%	0.296	C	S	.	.			trans	-115.9	76.4	178.8	-165.9	-4.8	0	0	0	111.2	L202 R207 S208 E209 S210	L202-D205 VanDerWaalsContact O-CB 3.3Å; L202-D205 WeakPolarHBondContact O-CB 3.41Å; D205-R207 PolarHBondContact O-N 3.36Å; D205-R207 VanDerWaalsContact O-N 3.09Å; D205-S208 VanDerWaalsContact CG-CA 3.44Å; D205-S208 PolarHBondContact O-N 2.98Å; D205-S208 WeakPolarHBondContact OD1-CA 3.31Å; D205-S208 PolarHBondContact OD1-N 2.85Å; D205-S208 VanDerWaalsContact OD2-C 3.28Å; D205-S208 VanDerWaalsContact OD2-CA 3.28Å; D205-S208 WeakPolarHBondContact OD2-CA 3.41Å; D205-E209 PolarHBondContact OD1-N 3.22Å; D205-E209 PolarHBondContact OD2-N 3.19Å; D205-S210 WeakPolarHBondContact OD2-CB 3.41Å; D205-S210 PolarHBondContact OD2-N 3.13Å; D205-S210 PolarHBondContact OD2-OG 3.06Å
206	P	75.3	Confident	90.2	Very high	114 Å²	114	61.7 Å²	61.7	74%	0.74	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.8	-172.7	25.5	-34.7	0	0	0	114	P204	P204-P206 VanDerWaalsContact O-CD 3.28Å; P204-P206 WeakPolarHBondContact O-CD 3.33Å
207	R	76.1	Confident	90.1	Very high	192 Å²	192	63.8 Å²	63.8	73%	0.725	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-0.8	-180	-61	-175.3	-177.1	180	-0.5	113.2	D205 E209	D205-R207 PolarHBondContact O-N 3.36Å; D205-R207 VanDerWaalsContact O-N 3.09Å; R207-E209 HydrophobicContact CB-CG 3.74Å; R207-E209 WeakPolarHBondContact CB-OE1 3.12Å; R207-E209 WeakPolarHBondContact CD-OE1 3.47Å; R207-E209 IonicContact NH1-OE1 3.37Å; R207-E209 PolarHBondContact O-N 3.38Å
208	S	77.3	Confident	89.8	Confident	73 Å²	73	70 Å²	70	51%	0.51	34%	0.344	S	S	.	.			trans	54	27.6	-176	-172.1	0	0	0	0	114	D205	D205-S208 VanDerWaalsContact CG-CA 3.44Å; D205-S208 PolarHBondContact O-N 2.98Å; D205-S208 WeakPolarHBondContact OD1-CA 3.31Å; D205-S208 PolarHBondContact OD1-N 2.85Å; D205-S208 VanDerWaalsContact OD2-C 3.28Å; D205-S208 VanDerWaalsContact OD2-CA 3.28Å; D205-S208 WeakPolarHBondContact OD2-CA 3.41Å
209	E	83.8	Confident	88.9	Confident	146 Å²	146	73.2 Å²	73.2	68%	0.682	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-19	-174	-72.7	172.8	-166.8	0	0	112.5	D205 R207	D205-E209 PolarHBondContact OD1-N 3.22Å; D205-E209 PolarHBondContact OD2-N 3.19Å; R207-E209 HydrophobicContact CB-CG 3.74Å; R207-E209 WeakPolarHBondContact CB-OE1 3.12Å; R207-E209 WeakPolarHBondContact CD-OE1 3.47Å; R207-E209 IonicContact NH1-OE1 3.37Å; R207-E209 PolarHBondContact O-N 3.38Å
210	S	87.3	Confident	88	Confident	20 Å²	20	73.7 Å²	73.7	14%	0.14	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.5	-175.1	72	0	0	0	0	114.1	L202 D205 Q212 F231	L202-S210 PolarHBondContact N-OG 3.06Å; D205-S210 WeakPolarHBondContact OD2-CB 3.41Å; D205-S210 PolarHBondContact OD2-N 3.13Å; D205-S210 PolarHBondContact OD2-OG 3.06Å; S210-Q212 PolarHBondContact O-N 2.86Å; S210-F231 VanDerWaalsContact O-CE1 3.26Å; S210-F231 WeakPolarHBondContact O-CE1 3.32Å
211	K	92.7	Very high	87	Confident	111 Å²	111	74.2 Å²	74.2	48%	0.483	37%	0.374	S	S	.	.			trans	-66.8	122.9	-170	-176.4	177.8	171	-179.3	0	112.8	K199 L200	K199-K211 HydrophobicContact CD-CD 4.28Å; K199-K211 HydrophobicContact CD-CG 4.42Å; K199-K211 HydrophobicContact CG-CD 4.43Å; K199-K211 HydrophobicContact CG-CG 4.08Å; L200-K211 CarbonylContact O-C 3.49Å; L200-K211 WeakPolarHBondContact O-CA 3.42Å
212	Q	95.4	Very high	86.5	Confident	63 Å²	63	75.5 Å²	75.5	29%	0.294	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	157.4	169.7	-59.1	-174.9	40.7	0	0	109.5	L200 S210 F229 K230 F231	L200-Q212 HydrophobicContact CB-CB 4.48Å; L200-Q212 PolarHBondContact N-O 3.39Å; L200-Q212 PolarHBondContact O-N 2.93Å; S210-Q212 PolarHBondContact O-N 2.86Å; Q212-F229 HydrophobicContact CB-CD1 3.84Å; Q212-F229 HydrophobicContact CB-CE1 4.28Å; Q212-F229 VanDerWaalsContact OE1-CD1 3.28Å; Q212-K230 PolarHBondContact NE2-O 3.01Å; Q212-K230 VanDerWaalsContact NE2-O 3.11Å; Q212-F231 HydrophobicContact CB-CZ 4.3Å; Q212-F231 HydrophobicContact CG-CE1 4.28Å; Q212-F231 HydrophobicContact CG-CZ 4.15Å
213	K	95.6	Very high	86.5	Confident	127 Å²	127	75.1 Å²	75.1	55%	0.552	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.4	153	178.4	66.3	170.6	-176.2	169.1	0	112.8	Y197 V198 F229	Y197-K213 HydrophobicContact CD2-CB 4.32Å; Y197-K213 HydrophobicContact CD2-CD 4.31Å; Y197-K213 HydrophobicContact CE2-CD 4.37Å; V198-K213 CarbonylContact O-C 3.49Å; V198-K213 WeakPolarHBondContact O-CA 3.44Å; V198-K213 WeakPolarHBondContact O-CB 3.3Å; K213-F229 WeakPolarHBondContact O-CE1 3.48Å
214	T	97.2	Very high	86.8	Confident	5 Å²	5	77.6 Å²	77.6	3%	0.031	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-78.3	173.8	171.4	66.2	0	0	0	0	111.8	I179 V198 W225 E227 F229	I179-T214 HydrophobicContact CB-CG2 4.24Å; I179-T214 HydrophobicContact CG1-CG2 4.39Å; I179-T214 HydrophobicContact CG2-CG2 4.29Å; V198-T214 HydrophobicContact CB-CG2 3.9Å; V198-T214 HydrophobicContact CG2-CG2 4.47Å; V198-T214 PolarHBondContact N-OG1 2.69Å; V198-T214 PolarHBondContact O-N 2.92Å; T214-W225 HydrophobicContact CG2-CB 4.3Å; T214-W225 HydrophobicContact CG2-CG 4.15Å; T214-W225 VanDerWaalsContact OG1-CD1 3.29Å; T214-W225 PolarHBondContact OG1-NE1 2.97Å; T214-E227 HydrophobicContact CG2-CB 4.26Å; T214-F229 HydrophobicContact CG2-CE2 3.66Å; T214-F229 HydrophobicContact CG2-CZ 3.63Å
215	K	94.8	Very high	87.4	Confident	159 Å²	159	74 Å²	74	69%	0.691	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-67	148.2	164.3	-65.1	174.4	-175.3	173.1	0	111	W225 E227	K215-W225 PolarHBondContact O-NE1 3.45Å; K215-E227 WeakPolarHBondContact CB-OE1 3.32Å; K215-E227 WeakPolarHBondContact CG-OE1 3.38Å; K215-E227 PolarHBondContact N-OE1 3.42Å
216	T	94.1	Very high	88	Confident	48 Å²	48	77.6 Å²	77.6	29%	0.294	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-76.8	127	170	-55.2	0	0	0	0	109.8	D195 W249	D195-T216 HydrophobicContact CB-CG2 3.87Å; D195-T216 VanDerWaalsContact O-CG2 3.29Å; D195-T216 WeakPolarHBondContact O-CG2 3.49Å; T216-W249 HydrophobicContact CG2-CB 3.51Å; T216-W249 HydrophobicContact CG2-CD2 4.44Å; T216-W249 HydrophobicContact CG2-CG 4.02Å
217	I	91.6	Very high	89	Confident	44 Å²	44	74.3 Å²	74.3	23%	0.226	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-101.1	124.9	172.7	-58.6	-167	0	0	0	107.4	D195 P196 C220 P223 T224 W225	D195-I217 CarbonylContact C-O 3.57Å; D195-I217 VanDerWaalsContact C-O 3.28Å; D195-I217 WeakPolarHBondContact CA-O 3.26Å; P196-I217 WeakPolarHBondContact CD-O 3.47Å; P196-I217 PolarHBondContact O-N 3.18Å; I217-C220 HydrophobicContact CG2-CB 3.72Å; I217-P223 HydrophobicContact CB-CB 4.13Å; I217-P223 HydrophobicContact CD1-CB 3.71Å; I217-P223 HydrophobicContact CG1-CB 4.29Å; I217-P223 HydrophobicContact CG2-CB 4.36Å; I217-T224 WeakPolarHBondContact CD1-O 3.36Å; I217-W225 HydrophobicContact CD1-CD2 4.48Å; I217-W225 HydrophobicContact CD1-CG 4.23Å
218	K	89.4	Confident	90	Very high	144 Å²	144	68.9 Å²	68.9	63%	0.626	35%	0.354	S	S	*	.	S	Bend	trans	-83.8	145.5	-173.8	-62.9	-169.1	175.2	-167.4	0	113.3	D195 C220	D195-K218 WeakPolarHBondContact OD1-CA 3.34Å; D195-K218 WeakPolarHBondContact OD1-CB 3.27Å; K218-C220 VanDerWaalsContact C-N 3.32Å; K218-C220 PolarHBondContact O-N 3.38Å
219	C	79.1	Confident	90.9	Very high	67 Å²	67	66.4 Å²	66.4	45%	0.453	33%	0.334	S	S	.	.	S	Bend	trans	46.4	50.5	172.1	-60.4	0	0	0	0	112.9	L193 S194 D195	L193-C219 HydrophobicContact CB-CB 4.33Å; L193-C219 HydrophobicContact CD1-CB 3.79Å; L193-C219 WeakPolarHBondContact CD1-O 3.47Å; S194-C219 CarbonylContact O-C 3.23Å; S194-C219 VanDerWaalsContact O-CA 3.28Å; S194-C219 WeakPolarHBondContact O-CA 3.28Å; S194-C219 PolarHBondContact O-N 3.17Å; S194-C219 VanDerWaalsContact O-N 3.09Å; D195-C219 PolarHBondContact OD1-N 3.48Å
220	C	77.6	Confident	91.4	Very high	33 Å²	33	65.7 Å²	65.7	22%	0.223	33%	0.329	C	S	.	.			trans	-142.2	126	-173	-167.1	0	0	0	0	112.1	S194 P196 I217 K218 N222	S194-C220 PolarHBondContact O-N 2.95Å; P196-C220 WeakPolarHBondContact CD-O 3.33Å; P196-C220 VanDerWaalsContact CG-O 3.23Å; P196-C220 WeakPolarHBondContact CG-O 3.14Å; I217-C220 HydrophobicContact CG2-CB 3.72Å; K218-C220 VanDerWaalsContact C-N 3.32Å; K218-C220 PolarHBondContact O-N 3.38Å; C220-N222 PolarHBondContact SG-O 3.02Å
221	L	75.4	Confident	91.8	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.058	32%	0.324	C	S	.	.	S	Bend	trans	-97.9	-4.5	173.1	-58.3	-179.2	0	0	0	113.4	F83 N184 L185 P187 L193	F83-L221 HydrophobicContact CZ-CD1 3.96Å; N184-L221 PolarHBondContact N-O 2.8Å; L185-L221 HydrophobicContact CB-CB 4.42Å; L185-L221 HydrophobicContact CB-CD2 4.43Å; L185-L221 WeakPolarHBondContact CB-O 3.39Å; L185-L221 WeakPolarHBondContact CG-O 3.44Å; L185-L221 PolarHBondContact N-O 2.71Å; L185-L221 WeakPolarHBondContact O-CD2 3.39Å; P187-L221 HydrophobicContact CB-CD1 4.2Å; P187-L221 HydrophobicContact CB-CD2 4.26Å; L193-L221 HydrophobicContact CD2-CD1 4.21Å; L193-L221 HydrophobicContact CD2-CG 4.01Å
222	N	85.8	Confident	91.8	Very high	78 Å²	78	67 Å²	67	42%	0.417	33%	0.334	S	S	.	.	S	Bend	trans	-128.9	59.7	176.9	-57.3	-74.9	0	0	0	110.6	A182 R183 N184 C220	A182-N222 CarbonylContact O-C 3.48Å; A182-N222 VanDerWaalsContact O-C 3.23Å; A182-N222 WeakPolarHBondContact O-CA 3.47Å; R183-N222 WeakPolarHBondContact CA-OD1 3.34Å; N184-N222 PolarHBondContact N-OD1 3.29Å; C220-N222 PolarHBondContact SG-O 3.02Å
223	P	91.5	Very high	91.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.323	C	S	.	.			trans	-69.8	143.3	-173.6	29.9	-38.6	0	0	0	112.8	E181 A182 L185 P196 I217 W225	E181-P223 CarbonylContact C-O 3.54Å; E181-P223 WeakPolarHBondContact CA-O 3.39Å; E181-P223 VanDerWaalsContact CB-O 3.31Å; E181-P223 WeakPolarHBondContact CB-O 3.25Å; A182-P223 HydrophobicContact CB-CG 3.99Å; A182-P223 PolarHBondContact N-O 3.44Å; A182-P223 WeakPolarHBondContact O-CD 3.21Å; L185-P223 HydrophobicContact CD1-CG 3.58Å; P196-P223 HydrophobicContact CB-CG 4.22Å; P196-P223 HydrophobicContact CG-CB 3.8Å; P196-P223 HydrophobicContact CG-CG 3.6Å; I217-P223 HydrophobicContact CB-CB 4.13Å; I217-P223 HydrophobicContact CD1-CB 3.71Å; I217-P223 HydrophobicContact CG1-CB 4.29Å; I217-P223 HydrophobicContact CG2-CB 4.36Å; P223-W225 HydrophobicContact CB-CD2 4.32Å; P223-W225 HydrophobicContact CB-CE3 4.35Å; P223-W225 HydrophobicContact CB-CH2 3.76Å; P223-W225 HydrophobicContact CB-CZ2 3.64Å; P223-W225 HydrophobicContact CB-CZ3 4.1Å; P223-W225 HydrophobicContact CG-CE3 4.31Å; P223-W225 HydrophobicContact CG-CH2 3.1Å; P223-W225 HydrophobicContact CG-CZ2 3.46Å; P223-W225 VanDerWaalsContact CG-CZ2 3.46Å; P223-W225 HydrophobicContact CG-CZ3 3.58Å
224	T	95.6	Very high	91.2	Very high	68 Å²	68	64.6 Å²	64.6	42%	0.417	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	110.9	170.4	-52.4	0	0	0	0	109.4	K180 E181 I217 N226	K180-T224 CarbonylContact O-C 3.59Å; E181-T224 HydrophobicContact CB-CG2 4.26Å; E181-T224 PolarHBondContact OE2-OG1 2.85Å; I217-T224 WeakPolarHBondContact CD1-O 3.36Å; T224-N226 WeakPolarHBondContact CG2-ND2 3.43Å
225	W	96.3	Very high	90.4	Very high	19 Å²	19	72.1 Å²	72.1	7%	0.072	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-46.7	-179.8	-63.6	-83.1	0	0	0	112.5	I164 I179 K180 A182 L185 P196 V198 T214 K215 I217 P223 E227 V246	I164-W225 HydrophobicContact CD1-CZ3 4.42Å; I179-W225 HydrophobicContact CG2-CB 4.37Å; I179-W225 HydrophobicContact CG2-CD2 4.17Å; I179-W225 HydrophobicContact CG2-CE3 3.66Å; I179-W225 HydrophobicContact CG2-CG 4.5Å; I179-W225 HydrophobicContact CG2-CZ3 4.24Å; K180-W225 PolarHBondContact O-N 3.31Å; A182-W225 HydrophobicContact CB-CH2 3.94Å; A182-W225 HydrophobicContact CB-CZ3 3.67Å; L185-W225 HydrophobicContact CD1-CH2 4.49Å; P196-W225 HydrophobicContact CB-CH2 4.46Å; P196-W225 HydrophobicContact CB-CZ2 3.98Å; P196-W225 HydrophobicContact CG-CZ2 4.27Å; V198-W225 HydrophobicContact CG2-CD2 4.21Å; V198-W225 HydrophobicContact CG2-CE3 4.15Å; V198-W225 HydrophobicContact CG2-CH2 3.59Å; V198-W225 HydrophobicContact CG2-CZ2 3.7Å; V198-W225 HydrophobicContact CG2-CZ3 3.84Å; T214-W225 HydrophobicContact CG2-CB 4.3Å; T214-W225 HydrophobicContact CG2-CG 4.15Å; T214-W225 VanDerWaalsContact OG1-CD1 3.29Å; T214-W225 PolarHBondContact OG1-NE1 2.97Å; K215-W225 PolarHBondContact O-NE1 3.45Å; I217-W225 HydrophobicContact CD1-CD2 4.48Å; I217-W225 HydrophobicContact CD1-CG 4.23Å; P223-W225 HydrophobicContact CB-CD2 4.32Å; P223-W225 HydrophobicContact CB-CE3 4.35Å; P223-W225 HydrophobicContact CB-CH2 3.76Å; P223-W225 HydrophobicContact CB-CZ2 3.64Å; P223-W225 HydrophobicContact CB-CZ3 4.1Å; P223-W225 HydrophobicContact CG-CE3 4.31Å; P223-W225 HydrophobicContact CG-CH2 3.1Å; P223-W225 HydrophobicContact CG-CZ2 3.46Å; P223-W225 VanDerWaalsContact CG-CZ2 3.46Å; P223-W225 HydrophobicContact CG-CZ3 3.58Å; W225-E227 VanDerWaalsContact C-N 3.26Å; W225-E227 HydrophobicContact CB-CG 4.31Å; W225-E227 PolarHBondContact O-N 3.24Å; W225-V246 HydrophobicContact CH2-CG1 4.5Å
226	N	95.1	Very high	89.8	Confident	108 Å²	108	70.7 Å²	70.7	58%	0.578	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.3	45.6	-172.3	-67.9	-39.5	0	0	0	113.4	I179 K180 T224	I179-N226 VanDerWaalsContact O-CA 3.27Å; I179-N226 WeakPolarHBondContact O-CA 3.49Å; I179-N226 PolarHBondContact O-N 3.46Å; K180-N226 PolarHBondContact O-N 3.06Å; T224-N226 WeakPolarHBondContact CG2-ND2 3.43Å
227	E	96.8	Very high	89.5	Confident	44 Å²	44	68.6 Å²	68.6	21%	0.206	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.3	-178.8	-68.7	-173.1	-128.4	0	0	111.4	T178 I179 T214 K215 W225 F229	T178-E227 WeakPolarHBondContact CA-O 3.26Å; I179-E227 PolarHBondContact N-O 2.85Å; I179-E227 PolarHBondContact O-N 2.94Å; T214-E227 HydrophobicContact CG2-CB 4.26Å; K215-E227 WeakPolarHBondContact CB-OE1 3.32Å; K215-E227 WeakPolarHBondContact CG-OE1 3.38Å; K215-E227 PolarHBondContact N-OE1 3.42Å; W225-E227 VanDerWaalsContact C-N 3.26Å; W225-E227 HydrophobicContact CB-CG 4.31Å; W225-E227 PolarHBondContact O-N 3.24Å; E227-F229 HydrophobicContact CB-CE2 3.73Å; E227-F229 HydrophobicContact CB-CZ 3.9Å
228	T	96.7	Very high	89	Confident	79 Å²	79	70.6 Å²	70.6	49%	0.485	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.5	180	-57.3	0	0	0	0	111.4	T176 V177 T178	T176-T228 HydrophobicContact CG2-CG2 3.44Å; T176-T228 VanDerWaalsContact CG2-CG2 3.44Å; V177-T228 CarbonylContact O-C 3.6Å; V177-T228 WeakPolarHBondContact O-CA 3.22Å; T178-T228 PolarHBondContact OG1-OG1 3.05Å
229	F	96.7	Very high	88.7	Confident	20 Å²	20	70.8 Å²	70.8	9%	0.088	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.7	-179	-58.2	-86	0	0	0	110.4	T176 V177 I179 L200 Q212 K213 T214 E227 F231	T176-F229 WeakPolarHBondContact CA-O 3.28Å; V177-F229 PolarHBondContact N-O 3.1Å; V177-F229 PolarHBondContact O-N 3.45Å; I179-F229 HydrophobicContact CG1-CD2 4.49Å; I179-F229 HydrophobicContact CG1-CE2 4.27Å; L200-F229 HydrophobicContact CD1-CB 4.04Å; L200-F229 HydrophobicContact CD1-CD1 4.19Å; L200-F229 HydrophobicContact CD1-CD2 3.17Å; L200-F229 HydrophobicContact CD1-CE2 3.59Å; L200-F229 HydrophobicContact CD1-CG 3.51Å; L200-F229 HydrophobicContact CD1-CZ 4.25Å; Q212-F229 HydrophobicContact CB-CD1 3.84Å; Q212-F229 HydrophobicContact CB-CE1 4.28Å; Q212-F229 VanDerWaalsContact OE1-CD1 3.28Å; K213-F229 WeakPolarHBondContact O-CE1 3.48Å; T214-F229 HydrophobicContact CG2-CE2 3.66Å; T214-F229 HydrophobicContact CG2-CZ 3.63Å; E227-F229 HydrophobicContact CB-CE2 3.73Å; E227-F229 HydrophobicContact CB-CZ 3.9Å; F229-F231 HydrophobicContact CB-CE2 4.05Å
230	K	95.6	Very high	89.3	Confident	131 Å²	131	70 Å²	70	57%	0.57	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.7	178.6	-66.9	-176.9	179.9	-179.3	0	110.4	V174 L175 Q212	V174-K230 HydrophobicContact CG1-CB 4.14Å; V174-K230 HydrophobicContact CG1-CD 4.41Å; V174-K230 HydrophobicContact CG1-CG 4.36Å; L175-K230 CarbonylContact O-C 3.51Å; L175-K230 WeakPolarHBondContact O-CA 3.36Å; Q212-K230 PolarHBondContact NE2-O 3.01Å; Q212-K230 VanDerWaalsContact NE2-O 3.11Å
231	F	94.4	Very high	90.1	Very high	9 Å²	9	70.7 Å²	70.7	4%	0.039	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.4	174.1	-61.3	-100.1	0	0	0	108.9	V174 L175 V177 L200 L202 S210 Q212 F229 L233 L242	V174-F231 WeakPolarHBondContact CA-O 3.27Å; L175-F231 HydrophobicContact CB-CB 4.15Å; L175-F231 HydrophobicContact CD2-CB 4.3Å; L175-F231 HydrophobicContact CD2-CD2 4.11Å; L175-F231 HydrophobicContact CD2-CG 4.39Å; L175-F231 HydrophobicContact CG-CD2 4.38Å; L175-F231 PolarHBondContact N-O 3.44Å; L175-F231 PolarHBondContact O-N 3.2Å; V177-F231 HydrophobicContact CG2-CD2 4.25Å; V177-F231 HydrophobicContact CG2-CE2 4.17Å; L200-F231 HydrophobicContact CB-CE2 4.4Å; L200-F231 HydrophobicContact CB-CZ 3.81Å; L202-F231 HydrophobicContact CD1-CB 4.39Å; L202-F231 HydrophobicContact CD1-CD1 4.06Å; L202-F231 HydrophobicContact CD2-CD1 4.44Å; L202-F231 HydrophobicContact CG-CD1 3.95Å; L202-F231 HydrophobicContact CG-CE1 4.37Å; S210-F231 VanDerWaalsContact O-CE1 3.26Å; S210-F231 WeakPolarHBondContact O-CE1 3.32Å; Q212-F231 HydrophobicContact CB-CZ 4.3Å; Q212-F231 HydrophobicContact CG-CE1 4.28Å; Q212-F231 HydrophobicContact CG-CZ 4.15Å; F229-F231 HydrophobicContact CB-CE2 4.05Å; F231-L233 HydrophobicContact CB-CD2 4.5Å; F231-L233 PolarHBondContact O-N 3.41Å; F231-L242 HydrophobicContact CE2-CD1 4.18Å; F231-L242 HydrophobicContact CZ-CD1 4.33Å
232	H	92.6	Very high	91.1	Very high	150 Å²	150	70.2 Å²	70.2	69%	0.694	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	106.4	174.6	-64.2	85.9	0	0	0	108.3
233	L	91.3	Very high	91.6	Very high	14 Å²	14	66.6 Å²	66.6	7%	0.073	32%	0.315	C	S	.	.			trans	-81	133.4	-175.8	-57.9	178	0	0	0	110.6	V170 N173 L175 L202 F231 D237 I265	V170-L233 HydrophobicContact CG1-CD1 3.71Å; V170-L233 HydrophobicContact CG2-CD1 3.97Å; N173-L233 WeakPolarHBondContact O-CB 3.46Å; N173-L233 PolarHBondContact O-N 2.89Å; L175-L233 HydrophobicContact CB-CD1 3.98Å; L175-L233 HydrophobicContact CB-CD2 4.08Å; L175-L233 HydrophobicContact CB-CG 4.02Å; L175-L233 HydrophobicContact CD2-CD2 4.5Å; L202-L233 HydrophobicContact CD1-CD2 4.14Å; F231-L233 HydrophobicContact CB-CD2 4.5Å; F231-L233 PolarHBondContact O-N 3.41Å; L233-D237 HydrophobicContact CD2-CB 4.23Å; L233-I265 HydrophobicContact CD1-CG2 3.69Å; L233-I265 HydrophobicContact CD2-CD1 4.43Å; L233-I265 HydrophobicContact CD2-CG2 4.16Å
234	K	88.3	Confident	91.8	Very high	125 Å²	125	66.6 Å²	66.6	54%	0.543	32%	0.315	S	S	.	.			trans	-98.5	168	169.4	-64.7	166.8	-179.9	-179	0	109.8	Y236 D237	K234-Y236 HydrophobicContact CB-CD1 4.01Å; K234-Y236 HydrophobicContact CB-CE1 3.73Å; K234-Y236 HydrophobicContact CB-CE2 4.44Å; K234-Y236 HydrophobicContact CD-CE1 3.48Å; K234-Y236 VanDerWaalsContact CD-CE1 3.48Å; K234-Y236 HydrophobicContact CD-CE2 4.38Å; K234-Y236 WeakPolarHBondContact CD-OH 3.36Å; K234-Y236 HydrophobicContact CG-CE1 4.26Å; K234-Y236 PolarHBondContact NZ-OH 2.95Å; K234-Y236 VanDerWaalsContact NZ-OH 3.16Å; K234-Y236 PolarHBondContact O-N 2.82Å; K234-D237 WeakPolarHBondContact CB-OD2 3.24Å; K234-D237 PolarHBondContact N-OD2 2.87Å; K234-D237 WeakPolarHBondContact O-CB 3.26Å; K234-D237 PolarHBondContact O-N 3.29Å
235	E	79.8	Confident	91.9	Very high	163 Å²	163	63.9 Å²	63.9	76%	0.762	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-59.1	-34.3	-177.2	-69.5	-155.4	127.9	0	0	113.7	D237 K238	E235-D237 VanDerWaalsContact C-N 3.28Å; E235-D237 PolarHBondContact O-N 2.87Å; E235-K238 WeakPolarHBondContact O-CG 3.4Å
236	Y	83.1	Confident	91.8	Very high	129 Å²	129	63 Å²	63	51%	0.506	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-76.5	-10.3	177.3	63.5	-106.9	0	0	0	113.9	K234 K238	K234-Y236 HydrophobicContact CB-CD1 4.01Å; K234-Y236 HydrophobicContact CB-CE1 3.73Å; K234-Y236 HydrophobicContact CB-CE2 4.44Å; K234-Y236 HydrophobicContact CD-CE1 3.48Å; K234-Y236 VanDerWaalsContact CD-CE1 3.48Å; K234-Y236 HydrophobicContact CD-CE2 4.38Å; K234-Y236 WeakPolarHBondContact CD-OH 3.36Å; K234-Y236 HydrophobicContact CG-CE1 4.26Å; K234-Y236 PolarHBondContact NZ-OH 2.95Å; K234-Y236 VanDerWaalsContact NZ-OH 3.16Å; K234-Y236 PolarHBondContact O-N 2.82Å; Y236-K238 PolarHBondContact O-N 3.36Å
237	D	86.1	Confident	91.8	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.027	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-79.7	-7.2	177.7	-65.2	-51.1	0	0	0	112	L233 K234 E235 D239 R240 I265	L233-D237 HydrophobicContact CD2-CB 4.23Å; K234-D237 WeakPolarHBondContact CB-OD2 3.24Å; K234-D237 PolarHBondContact N-OD2 2.87Å; K234-D237 WeakPolarHBondContact O-CB 3.26Å; K234-D237 PolarHBondContact O-N 3.29Å; E235-D237 VanDerWaalsContact C-N 3.28Å; E235-D237 PolarHBondContact O-N 2.87Å; D237-D239 PolarHBondContact O-N 3.15Å; D237-R240 WeakPolarHBondContact O-CB 3.3Å; D237-R240 PolarHBondContact O-N 3.32Å; D237-R240 VanDerWaalsContact O-N 3.07Å; D237-R240 WeakPolarHBondContact OD1-CD 3.34Å; D237-R240 IonicContact OD1-CZ 3.24Å; D237-R240 VanDerWaalsContact OD1-CZ 3.28Å; D237-R240 IonicContact OD1-NE 3.23Å; D237-R240 PolarHBondContact OD1-NE 2.91Å; D237-R240 IonicContact OD1-NH1 2.76Å; D237-R240 PolarHBondContact OD1-NH1 2.72Å; D237-I265 WeakPolarHBondContact O-CB 3.35Å; D237-I265 WeakPolarHBondContact O-CG2 3.35Å
238	K	82.8	Confident	91.5	Very high	85 Å²	85	57.7 Å²	57.7	37%	0.37	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59.3	-34.4	179	-72.2	177.9	179.3	170.8	0	112.9	E235 Y236 R240 S266	E235-K238 WeakPolarHBondContact O-CG 3.4Å; Y236-K238 PolarHBondContact O-N 3.36Å; K238-R240 VanDerWaalsContact C-N 3.32Å; K238-S266 PolarHBondContact O-N 3.5Å; K238-S266 PolarHBondContact O-OG 2.75Å
239	D	83.4	Confident	91.2	Very high	148 Å²	148	57.6 Å²	57.6	79%	0.791	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-89.3	0.7	-179.8	-58.3	-43	0	0	0	112.9	D237	D237-D239 PolarHBondContact O-N 3.15Å
240	R	91.5	Very high	90.3	Very high	51 Å²	51	57.7 Å²	57.7	19%	0.192	26%	0.256	C	S	.	.			trans	-87.8	172.3	178.5	-64.1	-171.9	177.7	-175.7	-19.7	111.9	I203 D237 K238 I265	I203-R240 CarbonylContact O-C 3.6Å; I203-R240 VanDerWaalsContact O-CA 3.3Å; I203-R240 WeakPolarHBondContact O-CA 3.5Å; I203-R240 VanDerWaalsContact O-CB 3.27Å; I203-R240 WeakPolarHBondContact O-CB 3.44Å; D237-R240 WeakPolarHBondContact O-CB 3.3Å; D237-R240 PolarHBondContact O-N 3.32Å; D237-R240 VanDerWaalsContact O-N 3.07Å; D237-R240 WeakPolarHBondContact OD1-CD 3.34Å; D237-R240 IonicContact OD1-CZ 3.24Å; D237-R240 VanDerWaalsContact OD1-CZ 3.28Å; D237-R240 IonicContact OD1-NE 3.23Å; D237-R240 PolarHBondContact OD1-NE 2.91Å; D237-R240 IonicContact OD1-NH1 2.76Å; D237-R240 PolarHBondContact OD1-NH1 2.72Å; K238-R240 VanDerWaalsContact C-N 3.32Å; R240-I265 HydrophobicContact CB-CG1 4.36Å; R240-I265 WeakPolarHBondContact O-CB 3.47Å; R240-I265 VanDerWaalsContact O-CG1 3.3Å; R240-I265 WeakPolarHBondContact O-CG1 3.37Å; R240-I265 PolarHBondContact O-N 2.89Å
241	R	93.9	Very high	89	Confident	48 Å²	48	58.2 Å²	58.2	18%	0.181	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.6	174.9	-47.1	-179.5	60.5	70.4	7.9	110.6	L202 I203 S243 S262 F263 E286 Y287	L202-R241 CarbonylContact C-O 3.52Å; L202-R241 WeakPolarHBondContact CA-O 3.45Å; I203-R241 HydrophobicContact CD1-CB 4.26Å; I203-R241 HydrophobicContact CG1-CB 3.78Å; I203-R241 WeakPolarHBondContact CG1-O 3.24Å; I203-R241 PolarHBondContact N-O 2.97Å; I203-R241 PolarHBondContact O-N 3.19Å; R241-S243 PolarHBondContact O-N 3.12Å; R241-S262 PolarHBondContact NE-OG 2.82Å; R241-S262 VanDerWaalsContact NE-OG 3.07Å; R241-S262 PolarHBondContact NH2-O 2.78Å; R241-S262 VanDerWaalsContact NH2-O 3.1Å; R241-S262 PolarHBondContact NH2-OG 3.47Å; R241-F263 CarbonylContact C-O 3.58Å; R241-F263 WeakPolarHBondContact CA-O 3.38Å; R241-F263 WeakPolarHBondContact CB-O 3.39Å; R241-E286 PolarHBondContact NE-O 3.32Å; R241-Y287 VanDerWaalsContact CZ-O 3.25Å; R241-Y287 PolarHBondContact NH2-O 2.77Å
242	L	95.6	Very high	87	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	113.7	164.3	174.5	70	0	0	0	108.1	A168 L175 V177 L200 L202 F231 V244 S262 F263 I265 L268	A168-L242 HydrophobicContact CB-CD2 4.41Å; L175-L242 HydrophobicContact CD2-CB 4.35Å; L175-L242 HydrophobicContact CD2-CD1 4.17Å; L175-L242 HydrophobicContact CD2-CD2 4.23Å; L175-L242 HydrophobicContact CD2-CG 4.48Å; V177-L242 HydrophobicContact CB-CD2 4.43Å; V177-L242 HydrophobicContact CG1-CD2 4.05Å; V177-L242 HydrophobicContact CG2-CD1 4.22Å; V177-L242 HydrophobicContact CG2-CD2 3.5Å; V177-L242 VanDerWaalsContact CG2-CD2 3.5Å; L200-L242 HydrophobicContact CD2-CD1 4.13Å; L202-L242 HydrophobicContact CD2-CB 4.45Å; L202-L242 HydrophobicContact CD2-CD1 4.34Å; F231-L242 HydrophobicContact CE2-CD1 4.18Å; F231-L242 HydrophobicContact CZ-CD1 4.33Å; L242-V244 HydrophobicContact CD2-CG2 4.32Å; L242-V244 HydrophobicContact CG-CG2 4.22Å; L242-S262 CarbonylContact O-C 3.54Å; L242-S262 WeakPolarHBondContact O-CA 3.31Å; L242-S262 WeakPolarHBondContact O-CB 3.38Å; L242-F263 HydrophobicContact CB-CB 4.46Å; L242-F263 HydrophobicContact CD2-CD2 4.21Å; L242-F263 PolarHBondContact N-O 2.78Å; L242-F263 PolarHBondContact O-N 2.82Å; L242-I265 HydrophobicContact CB-CD1 4.05Å; L242-L268 HydrophobicContact CB-CD1 4.5Å; L242-L268 HydrophobicContact CD2-CD1 4.32Å
243	S	96.1	Very high	85.7	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132	171.7	169.6	0	0	0	0	109.8	L200 K201 R241	L200-S243 WeakPolarHBondContact CA-O 3.48Å; K201-S243 WeakPolarHBondContact CE-OG 3.3Å; K201-S243 PolarHBondContact N-O 3.39Å; K201-S243 VanDerWaalsContact N-O 3.12Å; K201-S243 PolarHBondContact O-N 3.48Å; R241-S243 PolarHBondContact O-N 3.12Å
244	V	96.9	Very high	84.4	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.2	176.7	-168.8	0	0	0	0	107.7	I166 I179 V198 L200 L242 S260 L261 F263	I166-V244 HydrophobicContact CD1-CB 4.33Å; I166-V244 HydrophobicContact CD1-CG1 3.88Å; I166-V244 HydrophobicContact CD1-CG2 4.21Å; I179-V244 HydrophobicContact CD1-CG1 4.03Å; V198-V244 HydrophobicContact CG1-CG1 3.5Å; L200-V244 HydrophobicContact CD2-CB 4.29Å; L200-V244 HydrophobicContact CD2-CG1 4.06Å; L200-V244 HydrophobicContact CD2-CG2 3.78Å; L242-V244 HydrophobicContact CD2-CG2 4.32Å; L242-V244 HydrophobicContact CG-CG2 4.22Å; V244-S260 CarbonylContact O-C 3.58Å; V244-S260 VanDerWaalsContact O-CA 3.24Å; V244-S260 WeakPolarHBondContact O-CA 3.47Å; V244-S260 WeakPolarHBondContact O-CB 3.37Å; V244-L261 HydrophobicContact CB-CD1 4.13Å; V244-L261 HydrophobicContact CB-CG 4.21Å; V244-L261 HydrophobicContact CG2-CD1 4.06Å; V244-L261 PolarHBondContact N-O 2.81Å; V244-L261 PolarHBondContact O-N 3.3Å; V244-F263 HydrophobicContact CG2-CD2 4.5Å; V244-F263 HydrophobicContact CG2-CE2 4.43Å
245	E	96.5	Very high	84.1	Confident	10 Å²	10	65.9 Å²	65.9	5%	0.047	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131	-177.7	-56.9	171.6	176.2	0	0	110.2	V198 K199 K201 W247 F257	V198-E245 CarbonylContact C-O 3.43Å; V198-E245 WeakPolarHBondContact CA-O 3.42Å; K199-E245 HydrophobicContact CB-CB 4.46Å; K199-E245 PolarHBondContact N-O 2.86Å; K199-E245 IonicContact NZ-OE2 3.32Å; K199-E245 PolarHBondContact O-N 2.91Å; K201-E245 WeakPolarHBondContact CE-OE1 3.46Å; K201-E245 IonicContact NZ-OE1 2.72Å; K201-E245 PolarHBondContact NZ-OE1 3.45Å; E245-W247 WeakPolarHBondContact OE2-CZ2 3.43Å; E245-W247 PolarHBondContact OE2-NE1 2.94Å; E245-F257 HydrophobicContact CB-CE2 4.3Å; E245-F257 HydrophobicContact CG-CE2 4.44Å
246	V	95.4	Very high	84	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.3	172.8	-169.2	0	0	0	0	108.6	I164 L185 P196 V198 W225 M258 G259 L279	I164-V246 HydrophobicContact CD1-CG2 4Å; L185-V246 HydrophobicContact CD1-CG1 4.15Å; L185-V246 HydrophobicContact CD2-CG1 4.49Å; P196-V246 HydrophobicContact CB-CG1 4.22Å; V198-V246 HydrophobicContact CG2-CG2 4.2Å; W225-V246 HydrophobicContact CH2-CG1 4.5Å; V246-M258 HydrophobicContact CB-CB 4.2Å; V246-M258 HydrophobicContact CG1-CB 4.17Å; V246-M258 HydrophobicContact CG1-SD 3.81Å; V246-M258 WeakPolarHBondContact O-CB 3.27Å; V246-M258 PolarHBondContact O-N 2.77Å; V246-G259 PolarHBondContact N-O 2.87Å; V246-G259 PolarHBondContact O-N 3.08Å; V246-L279 HydrophobicContact CG2-CD1 4.03Å; V246-L279 HydrophobicContact CG2-CD2 3.62Å
247	W	94	Very high	84.2	Confident	42 Å²	42	56.7 Å²	56.7	16%	0.159	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.3	-175.9	-69.5	79.7	0	0	0	109.9	P196 Y197 E245 N255 D256 F257 M258	P196-W247 CarbonylContact C-O 3.52Å; P196-W247 VanDerWaalsContact CA-O 3.28Å; P196-W247 WeakPolarHBondContact CA-O 3.45Å; Y197-W247 HydrophobicContact CD1-CB 3.98Å; Y197-W247 VanDerWaalsContact CD1-O 3.27Å; Y197-W247 WeakPolarHBondContact CD1-O 3.07Å; Y197-W247 HydrophobicContact CE1-CB 3.32Å; Y197-W247 HydrophobicContact CE1-CG 4.35Å; Y197-W247 HydrophobicContact CE2-CB 4.08Å; Y197-W247 HydrophobicContact CE2-CG 4.47Å; Y197-W247 AromaticContact CZ-CG 3.93Å; Y197-W247 PolarHBondContact N-O 2.87Å; Y197-W247 PolarHBondContact O-N 2.79Å; Y197-W247 WeakPolarHBondContact OH-CB 3.01Å; E245-W247 WeakPolarHBondContact OE2-CZ2 3.43Å; E245-W247 PolarHBondContact OE2-NE1 2.94Å; W247-N255 HydrophobicContact CE3-CB 4.25Å; W247-N255 VanDerWaalsContact CE3-O 3.26Å; W247-N255 VanDerWaalsContact CZ3-O 3.3Å; W247-N255 WeakPolarHBondContact CZ3-O 3.33Å; W247-D256 CarbonylContact C-O 3.48Å; W247-D256 VanDerWaalsContact CA-O 3.27Å; W247-D256 WeakPolarHBondContact CA-O 3.31Å; W247-F257 HydrophobicContact CD2-CD2 4.35Å; W247-F257 AromaticContact CE2-CD2 3.86Å; W247-F257 HydrophobicContact CE3-CB 4.12Å; W247-F257 HydrophobicContact CH2-CB 4.07Å; W247-F257 HydrophobicContact CH2-CD2 4.23Å; W247-F257 HydrophobicContact CZ2-CB 4.47Å; W247-F257 AromaticContact CZ2-CD2 3.81Å; W247-F257 HydrophobicContact CZ2-CD2 3.81Å; W247-F257 HydrophobicContact CZ3-CB 3.9Å; W247-M258 VanDerWaalsContact C-SD 3.54Å
248	D	90.8	Very high	84	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.3	168.3	-170.4	28.4	0	0	0	109.8	M188 S194 D195 N255 D256 M258	M188-D248 HydrophobicContact CB-CB 3.86Å; M188-D248 WeakPolarHBondContact CB-OD2 3.4Å; M188-D248 HydrophobicContact CG-CB 4.03Å; S194-D248 WeakPolarHBondContact CB-OD1 3.46Å; D195-D248 VanDerWaalsContact CA-OD1 3.32Å; D195-D248 WeakPolarHBondContact CA-OD1 3.1Å; D195-D248 PolarHBondContact N-OD1 3.09Å; D248-N255 CarbonylContact O-C 3.51Å; D248-N255 WeakPolarHBondContact O-CA 3.09Å; D248-N255 WeakPolarHBondContact O-CB 3.4Å; D248-D256 HydrophobicContact CB-CB 4.13Å; D248-D256 PolarHBondContact N-O 3.14Å; D248-D256 PolarHBondContact O-N 3.17Å; D248-M258 HydrophobicContact CB-CG 4.15Å; D248-M258 HydrophobicContact CB-SD 4.06Å
249	W	90.1	Very high	84.2	Confident	77 Å²	77	52.4 Å²	52.4	29%	0.292	26%	0.256	S	S	.	.			trans	-101.6	122.3	180	178.7	80.2	0	0	0	110.9	D195 Y197 T216 L251	D195-W249 HydrophobicContact CB-CB 4.09Å; D195-W249 PolarHBondContact O-N 2.69Å; Y197-W249 HydrophobicContact CD1-CB 4.03Å; Y197-W249 HydrophobicContact CE1-CB 4.18Å; T216-W249 HydrophobicContact CG2-CB 3.51Å; T216-W249 HydrophobicContact CG2-CD2 4.44Å; T216-W249 HydrophobicContact CG2-CG 4.02Å; W249-L251 HydrophobicContact CH2-CB 3.91Å; W249-L251 HydrophobicContact CH2-CD1 3.66Å; W249-L251 HydrophobicContact CH2-CG 4.36Å; W249-L251 HydrophobicContact CZ2-CD1 4.26Å; W249-L251 HydrophobicContact CZ3-CB 4.09Å
250	D	79.6	Confident	84.7	Confident	21 Å²	21	45.5 Å²	45.5	11%	0.112	22%	0.22	C	C	.	.			trans	-106.1	137.4	179.7	-77.3	-89.7	0	0	0	111.9	S253 N255 D256	D250-S253 WeakPolarHBondContact CB-O 3.48Å; D250-S253 WeakPolarHBondContact CB-OG 3.24Å; D250-S253 VanDerWaalsContact CG-OG 3.25Å; D250-S253 PolarHBondContact OD1-OG 2.76Å; D250-N255 PolarHBondContact N-OD1 3.06Å; D250-N255 VanDerWaalsContact N-OD1 3.16Å; D250-N255 WeakPolarHBondContact OD2-CA 3.24Å; D250-D256 PolarHBondContact OD2-N 2.82Å
251	L	66.7	Low	84.8	Confident	143 Å²	143	43.1 Å²	43.1	75%	0.749	21%	0.211	S	C	*	.	S	Bend	trans	-76.7	-35.7	174.4	-178.8	65.1	0	0	0	112.3	W249	W249-L251 HydrophobicContact CH2-CB 3.91Å; W249-L251 HydrophobicContact CH2-CD1 3.66Å; W249-L251 HydrophobicContact CH2-CG 4.36Å; W249-L251 HydrophobicContact CZ2-CD1 4.26Å; W249-L251 HydrophobicContact CZ3-CB 4.09Å
252	T	54	Low	84.7	Confident	138 Å²	138	40.8 Å²	40.8	85%	0.847	20%	0.202	S	C	*	.	S	Bend	trans	-119	-6.5	-171	51.2	0	0	0	0	114.1
253	S	63.6	Low	84.6	Confident	66 Å²	66	40.9 Å²	40.9	46%	0.462	20%	0.202	S	C	.	.	S	Bend	trans	-122.3	175.7	-174.9	-1.3	0	0	0	0	110.4	D250	D250-S253 WeakPolarHBondContact CB-O 3.48Å; D250-S253 WeakPolarHBondContact CB-OG 3.24Å; D250-S253 VanDerWaalsContact CG-OG 3.25Å; D250-S253 PolarHBondContact OD1-OG 2.76Å
254	R	63.8	Low	84.3	Confident	208 Å²	208	41.1 Å²	41.1	79%	0.785	21%	0.205	S	C	*	.			trans	-78.5	134	163	-72.8	-173.6	179.1	172.1	3.8	108.4	D256	R254-D256 PolarHBondContact O-N 3.04Å
255	N	82	Confident	84.1	Confident	46 Å²	46	41.1 Å²	41.1	25%	0.246	21%	0.205	C	C	.	.			trans	-43.4	123.6	171.9	-66.1	8.8	0	0	0	112.6	Y197 W247 D248 D250	Y197-N255 HydrophobicContact CE1-CB 4.34Å; Y197-N255 WeakPolarHBondContact CE1-ND2 3.16Å; Y197-N255 PolarHBondContact OH-ND2 3.36Å; W247-N255 HydrophobicContact CE3-CB 4.25Å; W247-N255 VanDerWaalsContact CE3-O 3.26Å; W247-N255 VanDerWaalsContact CZ3-O 3.3Å; W247-N255 WeakPolarHBondContact CZ3-O 3.33Å; D248-N255 CarbonylContact O-C 3.51Å; D248-N255 WeakPolarHBondContact O-CA 3.09Å; D248-N255 WeakPolarHBondContact O-CB 3.4Å; D250-N255 PolarHBondContact N-OD1 3.06Å; D250-N255 VanDerWaalsContact N-OD1 3.16Å; D250-N255 WeakPolarHBondContact OD2-CA 3.24Å
256	D	79.3	Confident	83.7	Confident	66 Å²	66	42.7 Å²	42.7	35%	0.353	22%	0.217	S	C	.	.			trans	-80.4	146.1	179.9	-75.2	-36.7	0	0	0	113.4	M188 W247 D248 D250 R254	M188-D256 HydrophobicContact CB-CB 4.45Å; M188-D256 HydrophobicContact CE-CB 3.5Å; M188-D256 HydrophobicContact CG-CB 4.47Å; W247-D256 CarbonylContact C-O 3.48Å; W247-D256 VanDerWaalsContact CA-O 3.27Å; W247-D256 WeakPolarHBondContact CA-O 3.31Å; D248-D256 HydrophobicContact CB-CB 4.13Å; D248-D256 PolarHBondContact N-O 3.14Å; D248-D256 PolarHBondContact O-N 3.17Å; D250-D256 PolarHBondContact OD2-N 2.82Å; R254-D256 PolarHBondContact O-N 3.04Å
257	F	86.6	Confident	83.3	Confident	34 Å²	34	47.5 Å²	47.5	15%	0.149	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.9	178.5	174.9	-95.1	0	0	0	111.2	E245 W247 Q282	E245-F257 HydrophobicContact CB-CE2 4.3Å; E245-F257 HydrophobicContact CG-CE2 4.44Å; W247-F257 HydrophobicContact CD2-CD2 4.35Å; W247-F257 AromaticContact CE2-CD2 3.86Å; W247-F257 HydrophobicContact CE3-CB 4.12Å; W247-F257 HydrophobicContact CH2-CB 4.07Å; W247-F257 HydrophobicContact CH2-CD2 4.23Å; W247-F257 HydrophobicContact CZ2-CB 4.47Å; W247-F257 AromaticContact CZ2-CD2 3.81Å; W247-F257 HydrophobicContact CZ2-CD2 3.81Å; W247-F257 HydrophobicContact CZ3-CB 3.9Å; F257-Q282 HydrophobicContact CD1-CB 4.29Å; F257-Q282 HydrophobicContact CE1-CB 3.7Å; F257-Q282 HydrophobicContact CE2-CB 4.24Å; F257-Q282 HydrophobicContact CE2-CG 4.23Å; F257-Q282 HydrophobicContact CZ-CB 3.66Å; F257-Q282 HydrophobicContact CZ-CG 4.13Å
258	M	82.2	Confident	83.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-47.2	-177.1	-55.9	177.5	84.6	0	0	112.4	R161 L185 I186 M188 P196 V246 W247 D248	R161-M258 WeakPolarHBondContact CD-O 3.43Å; R161-M258 PolarHBondContact NH1-O 3.34Å; L185-M258 HydrophobicContact CB-CE 3.84Å; L185-M258 HydrophobicContact CD1-CE 4.09Å; I186-M258 HydrophobicContact CD1-CB 4.41Å; I186-M258 WeakPolarHBondContact CD1-O 3.24Å; I186-M258 HydrophobicContact CG1-CB 4.16Å; I186-M258 HydrophobicContact CG1-CE 4.35Å; I186-M258 WeakPolarHBondContact O-CE 3.3Å; M188-M258 HydrophobicContact CG-CE 4.27Å; M188-M258 HydrophobicContact CG-CG 4.02Å; P196-M258 HydrophobicContact CB-CE 4.32Å; P196-M258 HydrophobicContact CB-SD 3.82Å; V246-M258 HydrophobicContact CB-CB 4.2Å; V246-M258 HydrophobicContact CG1-CB 4.17Å; V246-M258 HydrophobicContact CG1-SD 3.81Å; V246-M258 WeakPolarHBondContact O-CB 3.27Å; V246-M258 PolarHBondContact O-N 2.77Å; W247-M258 VanDerWaalsContact C-SD 3.54Å; D248-M258 HydrophobicContact CB-CG 4.15Å; D248-M258 HydrophobicContact CB-SD 4.06Å
259	G	87.4	Confident	82.9	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	164.6	179.8	0	0	0	0	0	113.1	V246 L280	V246-G259 PolarHBondContact N-O 2.87Å; V246-G259 PolarHBondContact O-N 3.08Å; G259-L280 WeakPolarHBondContact CA-O 3.28Å
260	S	92.4	Very high	82.8	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	165	-179.9	68.7	0	0	0	0	114.1	V244 L280 S281 G285	V244-S260 CarbonylContact O-C 3.58Å; V244-S260 VanDerWaalsContact O-CA 3.24Å; V244-S260 WeakPolarHBondContact O-CA 3.47Å; V244-S260 WeakPolarHBondContact O-CB 3.37Å; S260-L280 PolarHBondContact N-O 2.98Å; S260-L280 WeakPolarHBondContact O-CA 3.34Å; S260-L280 WeakPolarHBondContact O-CB 3.43Å; S260-L280 PolarHBondContact O-N 2.69Å; S260-S281 PolarHBondContact OG-O 3.29Å; S260-S281 VanDerWaalsContact OG-O 3.06Å; S260-G285 WeakPolarHBondContact O-CA 3.01Å; S260-G285 WeakPolarHBondContact OG-CA 3.34Å
261	L	93.3	Very high	83.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.1	169.3	62.8	95.4	0	0	0	110	I164 I166 V244 F263 F277 L279 G285 F288 N289	I164-L261 HydrophobicContact CG2-CD2 3.43Å; I164-L261 VanDerWaalsContact CG2-CD2 3.43Å; I166-L261 HydrophobicContact CD1-CD1 3.9Å; I166-L261 HydrophobicContact CD1-CD2 4.01Å; I166-L261 HydrophobicContact CD1-CG 4.38Å; V244-L261 HydrophobicContact CB-CD1 4.13Å; V244-L261 HydrophobicContact CB-CG 4.21Å; V244-L261 HydrophobicContact CG2-CD1 4.06Å; V244-L261 PolarHBondContact N-O 2.81Å; V244-L261 PolarHBondContact O-N 3.3Å; L261-F263 HydrophobicContact CD1-CD2 3.91Å; L261-F263 HydrophobicContact CD1-CE1 4.49Å; L261-F263 HydrophobicContact CD1-CE2 3.2Å; L261-F263 HydrophobicContact CD1-CZ 3.55Å; L261-F277 HydrophobicContact CD2-CB 3.72Å; L261-L279 HydrophobicContact CD2-CD2 4.3Å; L261-G285 CarbonylContact C-O 3.54Å; L261-G285 VanDerWaalsContact CA-O 3.31Å; L261-G285 WeakPolarHBondContact CA-O 3.1Å; L261-F288 WeakPolarHBondContact CA-O 3.47Å; L261-N289 HydrophobicContact CB-CB 4.33Å; L261-N289 HydrophobicContact CD1-CB 4.27Å
262	S	91.7	Very high	84.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.4	178.5	64.5	0	0	0	0	114.1	R241 L242 G285 E286 Y287 F288 N289	R241-S262 PolarHBondContact NE-OG 2.82Å; R241-S262 VanDerWaalsContact NE-OG 3.07Å; R241-S262 PolarHBondContact NH2-O 2.78Å; R241-S262 VanDerWaalsContact NH2-O 3.1Å; R241-S262 PolarHBondContact NH2-OG 3.47Å; L242-S262 CarbonylContact O-C 3.54Å; L242-S262 WeakPolarHBondContact O-CA 3.31Å; L242-S262 WeakPolarHBondContact O-CB 3.38Å; S262-G285 WeakPolarHBondContact CB-O 3.21Å; S262-G285 PolarHBondContact N-O 3.36Å; S262-G285 PolarHBondContact OG-O 3.21Å; S262-E286 PolarHBondContact OG-O 3.44Å; S262-Y287 PolarHBondContact OG-N 3.03Å; S262-F288 PolarHBondContact N-O 3.48Å; S262-F288 PolarHBondContact OG-N 3.15Å; S262-N289 WeakPolarHBondContact O-CB 3.46Å; S262-N289 PolarHBondContact O-ND2 2.82Å
263	F	93.4	Very high	86.2	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.4	176.8	-60.7	-78.2	0	0	0	110.7	I166 R241 L242 V244 L261 L268 V273 F277 N289	I166-F263 HydrophobicContact CD1-CE2 4.28Å; I166-F263 HydrophobicContact CG2-CE2 4.33Å; R241-F263 CarbonylContact C-O 3.58Å; R241-F263 WeakPolarHBondContact CA-O 3.38Å; R241-F263 WeakPolarHBondContact CB-O 3.39Å; L242-F263 HydrophobicContact CB-CB 4.46Å; L242-F263 HydrophobicContact CD2-CD2 4.21Å; L242-F263 PolarHBondContact N-O 2.78Å; L242-F263 PolarHBondContact O-N 2.82Å; V244-F263 HydrophobicContact CG2-CD2 4.5Å; V244-F263 HydrophobicContact CG2-CE2 4.43Å; L261-F263 HydrophobicContact CD1-CD2 3.91Å; L261-F263 HydrophobicContact CD1-CE1 4.49Å; L261-F263 HydrophobicContact CD1-CE2 3.2Å; L261-F263 HydrophobicContact CD1-CZ 3.55Å; F263-L268 HydrophobicContact CB-CD1 3.67Å; F263-L268 HydrophobicContact CB-CD2 4.09Å; F263-L268 HydrophobicContact CB-CG 3.87Å; F263-L268 HydrophobicContact CD1-CD2 4.39Å; F263-L268 HydrophobicContact CG-CD1 4.41Å; F263-L268 HydrophobicContact CG-CD2 4.29Å; F263-V273 HydrophobicContact CD1-CG1 4.15Å; F263-V273 HydrophobicContact CD1-CG2 4.19Å; F263-V273 HydrophobicContact CE1-CB 4.26Å; F263-V273 HydrophobicContact CE1-CG1 3.95Å; F263-V273 HydrophobicContact CE1-CG2 3.83Å; F263-V273 HydrophobicContact CE2-CG2 4.36Å; F263-V273 HydrophobicContact CZ-CG2 3.92Å; F263-F277 HydrophobicContact CE1-CD1 4.11Å; F263-F277 AromaticContact CE1-CE1 3.61Å; F263-F277 HydrophobicContact CE1-CE1 3.61Å; F263-F277 HydrophobicContact CE1-CE2 4.33Å; F263-F277 AromaticContact CE1-CZ 3.75Å; F263-F277 HydrophobicContact CE1-CZ 3.75Å; F263-F277 HydrophobicContact CZ-CD1 4.02Å; F263-F277 HydrophobicContact CZ-CD2 4.08Å; F263-F277 AromaticContact CZ-CE1 3.85Å; F263-F277 HydrophobicContact CZ-CE1 3.85Å; F263-F277 AromaticContact CZ-CE2 3.91Å; F263-F277 HydrophobicContact CZ-CE2 3.91Å; F263-F277 HydrophobicContact CZ-CG 4.14Å; F263-F277 AromaticContact CZ-CZ 3.81Å; F263-F277 HydrophobicContact CZ-CZ 3.81Å; F263-N289 HydrophobicContact CD1-CB 4.15Å; F263-N289 WeakPolarHBondContact CD1-ND2 3.44Å; F263-N289 HydrophobicContact CE1-CB 3.77Å; F263-N289 VanDerWaalsContact CE1-CG 3.47Å; F263-N289 HydrophobicContact CZ-CB 4.22Å
264	G	91.6	Very high	87.7	Confident	7 Å²	7	52.2 Å²	52.2	7%	0.072	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	134.3	171.6	0	0	0	0	0	110.9	S266 E267 L268	G264-S266 VanDerWaalsContact C-N 3.32Å; G264-S266 PolarHBondContact O-N 2.95Å; G264-E267 PolarHBondContact N-OE2 3.35Å; G264-E267 VanDerWaalsContact N-OE2 3.12Å; G264-E267 WeakPolarHBondContact O-CB 3.3Å; G264-E267 PolarHBondContact O-N 3.29Å; G264-L268 PolarHBondContact O-N 2.89Å
265	I	92.3	Very high	89	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-40.2	178.7	-63.9	-55.1	0	0	0	111.3	L175 L202 L233 D237 R240 L242 E267 L268 Q269	L175-I265 HydrophobicContact CD2-CD1 3.71Å; L202-I265 HydrophobicContact CD2-CD1 3.74Å; L202-I265 HydrophobicContact CD2-CG1 4.24Å; L233-I265 HydrophobicContact CD1-CG2 3.69Å; L233-I265 HydrophobicContact CD2-CD1 4.43Å; L233-I265 HydrophobicContact CD2-CG2 4.16Å; D237-I265 WeakPolarHBondContact O-CB 3.35Å; D237-I265 WeakPolarHBondContact O-CG2 3.35Å; R240-I265 HydrophobicContact CB-CG1 4.36Å; R240-I265 WeakPolarHBondContact O-CB 3.47Å; R240-I265 VanDerWaalsContact O-CG1 3.3Å; R240-I265 WeakPolarHBondContact O-CG1 3.37Å; R240-I265 PolarHBondContact O-N 2.89Å; L242-I265 HydrophobicContact CB-CD1 4.05Å; I265-E267 PolarHBondContact O-N 3.27Å; I265-L268 HydrophobicContact CD1-CD1 4.46Å; I265-L268 PolarHBondContact O-N 3.46Å; I265-Q269 WeakPolarHBondContact O-CG 3.37Å; I265-Q269 PolarHBondContact O-N 2.99Å
266	S	86.9	Confident	89.4	Confident	43 Å²	43	42.1 Å²	42.1	30%	0.301	22%	0.221	S	C	.	.	H	α-helix	trans	-60.6	-28.5	172.3	-75.2	0	0	0	0	113.8	K238 G264 K270	K238-S266 PolarHBondContact O-N 3.5Å; K238-S266 PolarHBondContact O-OG 2.75Å; G264-S266 VanDerWaalsContact C-N 3.32Å; G264-S266 PolarHBondContact O-N 2.95Å; S266-K270 WeakPolarHBondContact O-CG 3.16Å
267	E	87	Confident	89.9	Confident	102 Å²	102	39.4 Å²	39.4	48%	0.477	21%	0.206	S	C	.	.	H	α-helix	trans	-76	-47.3	177.2	-62.7	163.9	-179.6	0	0	109.8	G264 I265 Q269 K270 Q271	G264-E267 PolarHBondContact N-OE2 3.35Å; G264-E267 VanDerWaalsContact N-OE2 3.12Å; G264-E267 WeakPolarHBondContact O-CB 3.3Å; G264-E267 PolarHBondContact O-N 3.29Å; I265-E267 PolarHBondContact O-N 3.27Å; E267-Q269 PolarHBondContact O-N 2.84Å; E267-K270 WeakPolarHBondContact O-CB 3.29Å; E267-K270 PolarHBondContact O-N 3.43Å; E267-Q271 PolarHBondContact O-N 3.21Å
268	L	90.1	Very high	89.8	Confident	4 Å²	4	39 Å²	39	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-27.3	177.2	-67	178.5	0	0	0	113.6	A168 V170 L175 L242 F263 G264 I265 K270 Q271 V273	A168-L268 HydrophobicContact CB-CD1 4.2Å; A168-L268 HydrophobicContact CB-CD2 4.16Å; V170-L268 HydrophobicContact CG2-CB 3.94Å; L175-L268 HydrophobicContact CD1-CD1 3.76Å; L242-L268 HydrophobicContact CB-CD1 4.5Å; L242-L268 HydrophobicContact CD2-CD1 4.32Å; F263-L268 HydrophobicContact CB-CD1 3.67Å; F263-L268 HydrophobicContact CB-CD2 4.09Å; F263-L268 HydrophobicContact CB-CG 3.87Å; F263-L268 HydrophobicContact CD1-CD2 4.39Å; F263-L268 HydrophobicContact CG-CD1 4.41Å; F263-L268 HydrophobicContact CG-CD2 4.29Å; G264-L268 PolarHBondContact O-N 2.89Å; I265-L268 HydrophobicContact CD1-CD1 4.46Å; I265-L268 PolarHBondContact O-N 3.46Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-Q271 WeakPolarHBondContact CA-O 3.47Å; L268-V273 HydrophobicContact CD2-CB 4.42Å; L268-V273 HydrophobicContact CD2-CG1 3.98Å; L268-V273 HydrophobicContact CD2-CG2 3.77Å
269	Q	87.4	Confident	89.9	Confident	69 Å²	69	39.1 Å²	39.1	32%	0.322	21%	0.205	S	C	.	.	H	α-helix	trans	-69.3	-30.1	171.9	-79.8	-178.9	-11.8	0	0	113.1	V170 I265 E267	V170-Q269 HydrophobicContact CB-CG 4.05Å; V170-Q269 HydrophobicContact CG1-CG 3.9Å; V170-Q269 HydrophobicContact CG2-CG 4.08Å; I265-Q269 WeakPolarHBondContact O-CG 3.37Å; I265-Q269 PolarHBondContact O-N 2.99Å; E267-Q269 PolarHBondContact O-N 2.84Å
270	K	87.8	Confident	89.5	Confident	184 Å²	184	39.9 Å²	39.9	80%	0.8	21%	0.209	S	C	*	.	H	α-helix	trans	-82.8	-44.1	177.9	-67.8	172.8	-176.3	175.9	0	111	S266 E267 L268	S266-K270 WeakPolarHBondContact O-CG 3.16Å; E267-K270 WeakPolarHBondContact O-CB 3.29Å; E267-K270 PolarHBondContact O-N 3.43Å; L268-K270 VanDerWaalsContact C-N 3.33Å
271	Q	89.1	Confident	88.6	Confident	157 Å²	157	41.1 Å²	41.1	73%	0.734	22%	0.218	S	C	*	.	S	Bend	trans	-151.2	120.8	-177.7	-173.4	174.2	1.2	0	0	109.2	E267 L268	E267-Q271 PolarHBondContact O-N 3.21Å; L268-Q271 WeakPolarHBondContact CA-O 3.47Å
272	G	90.4	Very high	87.7	Confident	33 Å²	33	46.2 Å²	46.2	34%	0.34	24%	0.242	S	C	.	.			trans	-64.6	161.5	171.1	0	0	0	0	0	111.7	A168	A168-G272 CarbonylContact O-C 3.47Å; A168-G272 WeakPolarHBondContact O-CA 3.46Å
273	V	92.9	Very high	86.5	Confident	32 Å²	32	54 Å²	54	19%	0.194	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.1	175.8	-64.3	0	0	0	0	109.7	S167 A168 F263 L268 F277	S167-V273 CarbonylContact C-O 3.57Å; S167-V273 VanDerWaalsContact CA-O 3.23Å; S167-V273 WeakPolarHBondContact CA-O 3.39Å; A168-V273 HydrophobicContact CB-CG2 3.76Å; A168-V273 PolarHBondContact N-O 3.32Å; A168-V273 PolarHBondContact O-N 3.05Å; F263-V273 HydrophobicContact CD1-CG1 4.15Å; F263-V273 HydrophobicContact CD1-CG2 4.19Å; F263-V273 HydrophobicContact CE1-CB 4.26Å; F263-V273 HydrophobicContact CE1-CG1 3.95Å; F263-V273 HydrophobicContact CE1-CG2 3.83Å; F263-V273 HydrophobicContact CE2-CG2 4.36Å; F263-V273 HydrophobicContact CZ-CG2 3.92Å; L268-V273 HydrophobicContact CD2-CB 4.42Å; L268-V273 HydrophobicContact CD2-CG1 3.98Å; L268-V273 HydrophobicContact CD2-CG2 3.77Å; V273-F277 HydrophobicContact CB-CE2 4.35Å; V273-F277 HydrophobicContact CB-CZ 3.89Å; V273-F277 HydrophobicContact CG1-CZ 4.23Å; V273-F277 HydrophobicContact CG2-CZ 4.38Å
274	D	94.1	Very high	85	Confident	107 Å²	107	58.7 Å²	58.7	57%	0.572	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.8	117.6	168.7	-173.1	23.8	0	0	0	107.9	I166 S167 K180	I166-D274 WeakPolarHBondContact O-CA 3.4Å; S167-D274 WeakPolarHBondContact CB-OD1 3.5Å; K180-D274 WeakPolarHBondContact CE-OD1 3.49Å; K180-D274 IonicContact NZ-OD1 3.75Å; K180-D274 PolarHBondContact NZ-OD1 3.49Å; K180-D274 IonicContact NZ-OD2 2.77Å
275	G	91.4	Very high	84.4	Confident	19 Å²	19	58.4 Å²	58.4	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153	-170.2	178.6	0	0	0	0	0	114.2	E165 I166 F277	E165-G275 WeakPolarHBondContact CA-O 3.3Å; I166-G275 PolarHBondContact N-O 3.29Å; I166-G275 PolarHBondContact O-N 3.1Å; I166-G275 VanDerWaalsContact O-N 3.11Å; G275-F277 VanDerWaalsContact O-CD2 3.26Å; G275-F277 WeakPolarHBondContact O-CD2 3.16Å; G275-F277 WeakPolarHBondContact O-CE2 3.29Å
276	W	90.4	Very high	83.7	Confident	22 Å²	22	62.3 Å²	62.3	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139.2	179.8	-71.5	93.6	0	0	0	111.5	R163 E165 E181 R183 P291 V292	R163-W276 HydrophobicContact CB-CE3 4Å; R163-W276 HydrophobicContact CB-CZ3 4.47Å; R163-W276 VanDerWaalsContact CD-CE3 3.43Å; R163-W276 HydrophobicContact CG-CE3 3.54Å; R163-W276 HydrophobicContact CG-CZ3 3.72Å; E165-W276 HydrophobicContact CB-CD2 3.86Å; E165-W276 HydrophobicContact CB-CE3 3.9Å; E165-W276 HydrophobicContact CB-CG 4.5Å; E165-W276 HydrophobicContact CB-CH2 4.03Å; E165-W276 HydrophobicContact CB-CZ2 3.98Å; E165-W276 HydrophobicContact CB-CZ3 3.99Å; E165-W276 HydrophobicContact CG-CD2 4.16Å; E165-W276 HydrophobicContact CG-CG 4.36Å; E165-W276 HydrophobicContact CG-CZ2 4.41Å; E181-W276 HydrophobicContact CG-CH2 3.65Å; E181-W276 HydrophobicContact CG-CZ2 4.06Å; E181-W276 VanDerWaalsContact OE1-CH2 3.28Å; E181-W276 WeakPolarHBondContact OE1-CH2 3.18Å; E181-W276 WeakPolarHBondContact OE1-CZ2 3.44Å; R183-W276 HydrophobicContact CB-CH2 4.27Å; R183-W276 HydrophobicContact CB-CZ3 4.21Å; R183-W276 HydrophobicContact CG-CH2 3.64Å; R183-W276 HydrophobicContact CG-CZ3 4.07Å; W276-P291 CarbonylContact O-C 3.33Å; W276-P291 WeakPolarHBondContact O-CA 3.3Å; W276-V292 HydrophobicContact CB-CB 4.24Å; W276-V292 WeakPolarHBondContact CB-O 3.41Å; W276-V292 PolarHBondContact O-N 2.82Å
277	F	90	Very high	82.9	Confident	10 Å²	10	66.5 Å²	66.5	4%	0.044	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.2	175.9	-65	-91.2	0	0	0	110.5	R163 I164 I166 L261 F263 V273 G275 N289 V290 P291	R163-F277 CarbonylContact C-O 3.57Å; R163-F277 VanDerWaalsContact CA-O 3.22Å; R163-F277 WeakPolarHBondContact CA-O 3.42Å; R163-F277 WeakPolarHBondContact CB-O 3.38Å; I164-F277 PolarHBondContact N-O 2.8Å; I164-F277 PolarHBondContact O-N 3.36Å; I166-F277 HydrophobicContact CB-CD2 4.4Å; L261-F277 HydrophobicContact CD2-CB 3.72Å; F263-F277 HydrophobicContact CE1-CD1 4.11Å; F263-F277 AromaticContact CE1-CE1 3.61Å; F263-F277 HydrophobicContact CE1-CE1 3.61Å; F263-F277 HydrophobicContact CE1-CE2 4.33Å; F263-F277 AromaticContact CE1-CZ 3.75Å; F263-F277 HydrophobicContact CE1-CZ 3.75Å; F263-F277 HydrophobicContact CZ-CD1 4.02Å; F263-F277 HydrophobicContact CZ-CD2 4.08Å; F263-F277 AromaticContact CZ-CE1 3.85Å; F263-F277 HydrophobicContact CZ-CE1 3.85Å; F263-F277 AromaticContact CZ-CE2 3.91Å; F263-F277 HydrophobicContact CZ-CE2 3.91Å; F263-F277 HydrophobicContact CZ-CG 4.14Å; F263-F277 AromaticContact CZ-CZ 3.81Å; F263-F277 HydrophobicContact CZ-CZ 3.81Å; V273-F277 HydrophobicContact CB-CE2 4.35Å; V273-F277 HydrophobicContact CB-CZ 3.89Å; V273-F277 HydrophobicContact CG1-CZ 4.23Å; V273-F277 HydrophobicContact CG2-CZ 4.38Å; G275-F277 VanDerWaalsContact O-CD2 3.26Å; G275-F277 WeakPolarHBondContact O-CD2 3.16Å; G275-F277 WeakPolarHBondContact O-CE2 3.29Å; F277-N289 HydrophobicContact CD1-CB 4.11Å; F277-N289 HydrophobicContact CE1-CB 4.48Å; F277-V290 CarbonylContact C-O 3.52Å; F277-V290 VanDerWaalsContact CA-O 3.31Å; F277-V290 WeakPolarHBondContact CA-O 3.39Å; F277-P291 HydrophobicContact CD1-CB 4.14Å; F277-P291 HydrophobicContact CE1-CB 3.84Å
278	K	85.1	Confident	81.9	Confident	24 Å²	24	67.8 Å²	67.8	10%	0.104	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.1	174.5	-175.2	174.4	-179.8	158.2	0	109.9	D156 T158 L280 V290 V292	D156-K278 IonicContact OD1-NZ 2.76Å; D156-K278 PolarHBondContact OD1-NZ 3.5Å; D156-K278 IonicContact OD2-NZ 2.84Å; D156-K278 PolarHBondContact OD2-NZ 3.31Å; T158-K278 VanDerWaalsContact O-CE 3.26Å; T158-K278 WeakPolarHBondContact O-CE 3.17Å; T158-K278 PolarHBondContact O-NZ 2.98Å; K278-L280 HydrophobicContact CB-CD2 4.41Å; K278-L280 HydrophobicContact CD-CD2 4.11Å; K278-L280 HydrophobicContact CG-CD2 4.07Å; K278-V290 HydrophobicContact CB-CB 4.14Å; K278-V290 HydrophobicContact CB-CG1 4.44Å; K278-V290 PolarHBondContact N-O 3.25Å; K278-V292 HydrophobicContact CB-CG2 3.83Å
279	L	83.1	Confident	81.5	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.016	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-80.1	122.6	169.2	-71.5	166.7	0	0	0	109.6	R161 G162 I164 L185 V246 L261	R161-L279 HydrophobicContact CB-CB 3.9Å; R161-L279 VanDerWaalsContact O-CD1 3.29Å; R161-L279 WeakPolarHBondContact O-CD1 3.35Å; G162-L279 WeakPolarHBondContact O-CB 3.43Å; G162-L279 PolarHBondContact O-N 3.16Å; I164-L279 HydrophobicContact CB-CD1 4.48Å; I164-L279 HydrophobicContact CB-CD2 4.3Å; I164-L279 HydrophobicContact CB-CG 4.37Å; I164-L279 HydrophobicContact CG2-CD2 3.77Å; I164-L279 HydrophobicContact CG2-CG 4.09Å; L185-L279 HydrophobicContact CD2-CD1 3.28Å; V246-L279 HydrophobicContact CG2-CD1 4.03Å; V246-L279 HydrophobicContact CG2-CD2 3.62Å; L261-L279 HydrophobicContact CD2-CD2 4.3Å
280	L	79.1	Confident	81	Confident	16 Å²	16	69.4 Å²	69.4	8%	0.084	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-100.3	173.6	-177.5	-52.2	176.8	0	0	0	110.9	R161 G259 S260 K278 E284 F288 V290	R161-L280 WeakPolarHBondContact CD-O 3.3Å; G259-L280 WeakPolarHBondContact CA-O 3.28Å; S260-L280 PolarHBondContact N-O 2.98Å; S260-L280 WeakPolarHBondContact O-CA 3.34Å; S260-L280 WeakPolarHBondContact O-CB 3.43Å; S260-L280 PolarHBondContact O-N 2.69Å; K278-L280 HydrophobicContact CB-CD2 4.41Å; K278-L280 HydrophobicContact CD-CD2 4.11Å; K278-L280 HydrophobicContact CG-CD2 4.07Å; L280-E284 HydrophobicContact CB-CB 3.9Å; L280-E284 HydrophobicContact CD1-CB 4.19Å; L280-F288 HydrophobicContact CD1-CB 3.92Å; L280-V290 HydrophobicContact CD1-CG2 4.23Å; L280-V290 HydrophobicContact CD2-CG2 4.15Å
281	S	73.1	Confident	80.5	Confident	29 Å²	29	64.3 Å²	64.3	20%	0.203	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-61.1	169.1	167.8	67.7	0	0	0	0	111.4	S260 E283 E284 G285	S260-S281 PolarHBondContact OG-O 3.29Å; S260-S281 VanDerWaalsContact OG-O 3.06Å; S281-E283 VanDerWaalsContact C-N 3.34Å; S281-E283 PolarHBondContact O-N 2.94Å; S281-E284 WeakPolarHBondContact CB-OE2 3.44Å; S281-E284 PolarHBondContact N-OE2 3.27Å; S281-E284 WeakPolarHBondContact OG-CB 3.15Å; S281-E284 VanDerWaalsContact OG-CD 3.25Å; S281-E284 VanDerWaalsContact OG-CG 3.25Å; S281-E284 WeakPolarHBondContact OG-CG 3.45Å; S281-E284 PolarHBondContact OG-N 3.09Å; S281-E284 PolarHBondContact OG-OE2 3.04Å; S281-G285 PolarHBondContact O-N 2.76Å
282	Q	74.7	Confident	79.9	Confident	108 Å²	108	58.9 Å²	58.9	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-41.6	179.5	-169.7	174.5	-2	0	0	112.1	F257 E286	F257-Q282 HydrophobicContact CD1-CB 4.29Å; F257-Q282 HydrophobicContact CE1-CB 3.7Å; F257-Q282 HydrophobicContact CE2-CB 4.24Å; F257-Q282 HydrophobicContact CE2-CG 4.23Å; F257-Q282 HydrophobicContact CZ-CB 3.66Å; F257-Q282 HydrophobicContact CZ-CG 4.13Å; Q282-E286 PolarHBondContact O-N 2.88Å
283	E	66.8	Low	79	Confident	162 Å²	162	59.9 Å²	59.9	76%	0.757	31%	0.311	S	S	*	.	H	α-helix	trans	-69.8	-44.2	-179.7	-64.3	177.8	-177.4	0	0	111.6	S281 Y287	S281-E283 VanDerWaalsContact C-N 3.34Å; S281-E283 PolarHBondContact O-N 2.94Å; E283-Y287 WeakPolarHBondContact O-CD2 3.38Å
284	E	62.8	Low	77.8	Confident	102 Å²	102	61.9 Å²	61.9	48%	0.477	32%	0.324	S	S	.	.	H	α-helix	trans	-71.4	-44.1	179.6	-66.6	165.7	135.6	0	0	111.7	L280 S281 E286 Y287 F288	L280-E284 HydrophobicContact CB-CB 3.9Å; L280-E284 HydrophobicContact CD1-CB 4.19Å; S281-E284 WeakPolarHBondContact CB-OE2 3.44Å; S281-E284 PolarHBondContact N-OE2 3.27Å; S281-E284 WeakPolarHBondContact OG-CB 3.15Å; S281-E284 VanDerWaalsContact OG-CD 3.25Å; S281-E284 VanDerWaalsContact OG-CG 3.25Å; S281-E284 WeakPolarHBondContact OG-CG 3.45Å; S281-E284 PolarHBondContact OG-N 3.09Å; S281-E284 PolarHBondContact OG-OE2 3.04Å; E284-E286 PolarHBondContact O-N 3.25Å; E284-Y287 PolarHBondContact O-N 3.28Å; E284-Y287 VanDerWaalsContact O-N 3.13Å; E284-F288 WeakPolarHBondContact O-CB 3.4Å; E284-F288 VanDerWaalsContact O-CD2 3.23Å; E284-F288 WeakPolarHBondContact O-CD2 3.48Å; E284-F288 PolarHBondContact O-N 3.12Å
285	G	77.3	Confident	75.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.1	-18	-177.4	0	0	0	0	0	113.8	S260 L261 S262 S281 Y287	S260-G285 WeakPolarHBondContact O-CA 3.01Å; S260-G285 WeakPolarHBondContact OG-CA 3.34Å; L261-G285 CarbonylContact C-O 3.54Å; L261-G285 VanDerWaalsContact CA-O 3.31Å; L261-G285 WeakPolarHBondContact CA-O 3.1Å; S262-G285 WeakPolarHBondContact CB-O 3.21Å; S262-G285 PolarHBondContact N-O 3.36Å; S262-G285 PolarHBondContact OG-O 3.21Å; S281-G285 PolarHBondContact O-N 2.76Å; G285-Y287 PolarHBondContact O-N 3.36Å
286	E	78	Confident	73.6	Confident	82 Å²	82	65.9 Å²	65.9	38%	0.383	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.5	171.8	-171.8	169.2	-150.2	0	0	112.6	I203 R241 S262 Q282 E284	I203-E286 HydrophobicContact CD1-CG 3.7Å; I203-E286 WeakPolarHBondContact CD1-O 2.98Å; R241-E286 PolarHBondContact NE-O 3.32Å; S262-E286 PolarHBondContact OG-O 3.44Å; Q282-E286 PolarHBondContact O-N 2.88Å; E284-E286 PolarHBondContact O-N 3.25Å
287	Y	70	Confident	71.2	Confident	132 Å²	132	72.1 Å²	72.1	52%	0.518	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-21.1	-174.9	-57.9	-81.5	0	0	0	114.1	R241 S262 E283 E284 G285	R241-Y287 VanDerWaalsContact CZ-O 3.25Å; R241-Y287 PolarHBondContact NH2-O 2.77Å; S262-Y287 PolarHBondContact OG-N 3.03Å; E283-Y287 WeakPolarHBondContact O-CD2 3.38Å; E284-Y287 PolarHBondContact O-N 3.28Å; E284-Y287 VanDerWaalsContact O-N 3.13Å; G285-Y287 PolarHBondContact O-N 3.36Å
288	F	67.1	Low	68.6	Low	128 Å²	128	81.3 Å²	81.3	56%	0.561	43%	0.43	S	S	*	.			trans	-126.2	154.1	-168.7	-53.9	-65.7	0	0	0	113	L261 S262 L280 E284	L261-F288 WeakPolarHBondContact CA-O 3.47Å; S262-F288 PolarHBondContact N-O 3.48Å; S262-F288 PolarHBondContact OG-N 3.15Å; L280-F288 HydrophobicContact CD1-CB 3.92Å; E284-F288 WeakPolarHBondContact O-CB 3.4Å; E284-F288 VanDerWaalsContact O-CD2 3.23Å; E284-F288 WeakPolarHBondContact O-CD2 3.48Å; E284-F288 PolarHBondContact O-N 3.12Å
289	N	81.3	Confident	66.4	Low	44 Å²	44	83.6 Å²	83.6	24%	0.235	46%	0.46	C	S	.	.			trans	-132.4	141	163.5	61.5	88.9	0	0	0	107.5	L261 S262 F263 F277	L261-N289 HydrophobicContact CB-CB 4.33Å; L261-N289 HydrophobicContact CD1-CB 4.27Å; S262-N289 WeakPolarHBondContact O-CB 3.46Å; S262-N289 PolarHBondContact O-ND2 2.82Å; F263-N289 HydrophobicContact CD1-CB 4.15Å; F263-N289 WeakPolarHBondContact CD1-ND2 3.44Å; F263-N289 HydrophobicContact CE1-CB 3.77Å; F263-N289 VanDerWaalsContact CE1-CG 3.47Å; F263-N289 HydrophobicContact CZ-CB 4.22Å; F277-N289 HydrophobicContact CD1-CB 4.11Å; F277-N289 HydrophobicContact CE1-CB 4.48Å
290	V	76.3	Confident	64.3	Low	63 Å²	63	88.7 Å²	88.7	38%	0.382	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	106.4	-179.6	177.9	0	0	0	0	107.8	F277 K278 L280	F277-V290 CarbonylContact C-O 3.52Å; F277-V290 VanDerWaalsContact CA-O 3.31Å; F277-V290 WeakPolarHBondContact CA-O 3.39Å; K278-V290 HydrophobicContact CB-CB 4.14Å; K278-V290 HydrophobicContact CB-CG1 4.44Å; K278-V290 PolarHBondContact N-O 3.25Å; L280-V290 HydrophobicContact CD1-CG2 4.23Å; L280-V290 HydrophobicContact CD2-CG2 4.15Å
291	P	77.8	Confident	62.3	Low	78 Å²	78	93.8 Å²	93.8	51%	0.506	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	143.8	177.1	27.7	-33.1	0	0	0	110.5	W276 F277	W276-P291 CarbonylContact O-C 3.33Å; W276-P291 WeakPolarHBondContact O-CA 3.3Å; F277-P291 HydrophobicContact CD1-CB 4.14Å; F277-P291 HydrophobicContact CE1-CB 3.84Å
292	V	76.6	Confident	60.7	Low	42 Å²	42	98.8 Å²	98.8	26%	0.255	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140	179.9	-172.9	0	0	0	0	108	W276 K278	W276-V292 HydrophobicContact CB-CB 4.24Å; W276-V292 WeakPolarHBondContact CB-O 3.41Å; W276-V292 PolarHBondContact O-N 2.82Å; K278-V292 HydrophobicContact CB-CG2 3.83Å
293	A	71.4	Confident	59	Low	55 Å²	55	99 Å²	99	46%	0.455	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-68.6	148.8	175.3	0	0	0	0	0	110.6
294	P	67.5	Low	57.7	Low	73 Å²	73	99 Å²	99	47%	0.474	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-57.2	149.6	169.5	-18.4	30.7	0	0	0	111	G296	P294-G296 PolarHBondContact O-N 3.17Å; P294-G296 VanDerWaalsContact O-N 3.13Å
295	E	50.2	Low	56.6	Low	128 Å²	128	99.5 Å²	99.5	60%	0.598	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	118.6	177.1	-86.7	173.6	177.1	0	0	111.5	R163 R183	R163-E295 IonicContact CZ-OE1 2.69Å; R163-E295 IonicContact NH1-OE1 2.87Å; R163-E295 PolarHBondContact NH1-OE1 3.3Å; R163-E295 VanDerWaalsContact NH1-OE1 3.12Å; R163-E295 IonicContact NH2-OE1 2.72Å; R163-E295 PolarHBondContact NH2-OE1 3.44Å; R163-E295 IonicContact NH2-OE2 2.91Å; R163-E295 PolarHBondContact NH2-OE2 2.98Å; R183-E295 IonicContact NH1-OE2 3.52Å
296	G	48.2	Very low	54.9	Low	82 Å²	82	107.4 Å²	107.4	85%	0.845	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.2	-2.5	173	0	0	0	0	0	116.5	P294	P294-G296 PolarHBondContact O-N 3.17Å; P294-G296 VanDerWaalsContact O-N 3.13Å
297	E	39.3	Very low	52.8	Low	153 Å²	153	111.6 Å²	111.6	72%	0.715	58%	0.582	S	S	*	*			trans	-115.7	116	177.8	-68.5	-172.5	168.9	0	0	112.2	G299	E297-G299 PolarHBondContact O-N 3.36Å
298	E	35.9	Very low	51.1	Low	203 Å²	203	112.8 Å²	112.8	95%	0.949	59%	0.592	S	S	*	*			trans	-70.1	113.5	170.5	-74.3	-175.9	160.7	0	0	110.6
299	G	38.2	Very low	49.8	Very low	72 Å²	72	116.5 Å²	116.5	74%	0.742	60%	0.602	S	S	*	*			trans	55.3	112.1	145.3	0	0	0	0	0	119.9	E297	E297-G299 PolarHBondContact O-N 3.36Å
300	N	38	Very low	47.5	Very low	111 Å²	111	118.5 Å²	118.5	59%	0.594	63%	0.625	S	S	*	*			trans	-90.5	112.3	160.2	-170.7	-5.1	0	0	0	111.4	E302	N300-E302 PolarHBondContact ND2-OE2 3.04Å; N300-E302 VanDerWaalsContact ND2-OE2 3.11Å; N300-E302 PolarHBondContact O-N 3.23Å; N300-E302 VanDerWaalsContact O-N 3.12Å; N300-E302 WeakPolarHBondContact OD1-CB 3.23Å; N300-E302 PolarHBondContact OD1-N 3.26Å
301	E	38.9	Very low	45.3	Very low	122 Å²	122	124.5 Å²	124.5	57%	0.57	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-17.7	175	-157.3	80.3	-175.1	0	0	114.1
302	E	37.9	Very low	43.1	Very low	134 Å²	134	128.6 Å²	128.6	63%	0.626	66%	0.662	S	S	*	*	H	α-helix	trans	-71.5	-30.9	-176.1	-78.9	-175.9	132.9	0	0	115.1	N300 R304 Q305	N300-E302 PolarHBondContact ND2-OE2 3.04Å; N300-E302 VanDerWaalsContact ND2-OE2 3.11Å; N300-E302 PolarHBondContact O-N 3.23Å; N300-E302 VanDerWaalsContact O-N 3.12Å; N300-E302 WeakPolarHBondContact OD1-CB 3.23Å; N300-E302 PolarHBondContact OD1-N 3.26Å; E302-R304 VanDerWaalsContact C-N 3.3Å; E302-R304 PolarHBondContact O-N 2.72Å; E302-Q305 PolarHBondContact O-N 3.16Å
303	L	39.6	Very low	40.7	Very low	114 Å²	114	131.2 Å²	131.2	60%	0.597	69%	0.688	S	S	*	*	H	α-helix	trans	-70.9	-29.2	-176.3	-126	87.2	0	0	0	112.1	K306	L303-K306 PolarHBondContact O-N 3.45Å
304	R	39.5	Very low	38.6	Very low	161 Å²	161	136.2 Å²	136.2	61%	0.608	71%	0.713	S	S	*	*	H	α-helix	trans	-66.3	-37.8	178.3	-82.9	178.3	166.2	178.8	-3.7	112.2	E302 K306 F307	E302-R304 VanDerWaalsContact C-N 3.3Å; E302-R304 PolarHBondContact O-N 2.72Å; R304-K306 VanDerWaalsContact C-N 3.31Å; R304-K306 PolarHBondContact O-N 2.8Å; R304-F307 PolarHBondContact O-N 2.98Å
305	Q	39.6	Very low	36.7	Very low	112 Å²	112	136 Å²	136	52%	0.523	72%	0.723	S	S	.	*	H	α-helix	trans	-71.9	-22.2	-179.7	-66.5	-173	10.7	0	0	113.6	E302	E302-Q305 PolarHBondContact O-N 3.16Å
306	K	40.9	Very low	35.5	Very low	167 Å²	167	139.9 Å²	139.9	73%	0.726	74%	0.738	S	S	*	*	H	α-helix	trans	-77.1	-29.2	176.7	-80.4	-179.1	176.7	173	0	112.9	L303 R304	L303-K306 PolarHBondContact O-N 3.45Å; R304-K306 VanDerWaalsContact C-N 3.31Å; R304-K306 PolarHBondContact O-N 2.8Å
307	F	33.8	Very low	34.4	Very low	169 Å²	169	143.1 Å²	143.1	74%	0.741	74%	0.736	S	S	*	*	H	α-helix	trans	-74.7	-30.8	178.2	-103.3	-91.6	0	0	0	113.4	R304	R304-F307 PolarHBondContact O-N 2.98Å
308	E	36.1	Very low	33.8	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	75%	0.745	S	S	*	*	H	α-helix	trans	-74.4	-28.7	179.5	-81.6	178.3	149.7	0	0	113.8	A310	E308-A310 VanDerWaalsContact C-N 3.32Å; E308-A310 PolarHBondContact O-N 3.29Å
309	R	37.8	Very low	33.2	Very low	206 Å²	206	142.8 Å²	142.8	78%	0.777	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-16.7	179.9	-68.6	-173.8	-159.7	175.7	7.2	114.3
310	A	34.6	Very low	32.5	Very low	86 Å²	86	143.1 Å²	143.1	71%	0.711	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	1.6	-175.5	0	0	0	0	0	114.5	E308	E308-A310 VanDerWaalsContact C-N 3.32Å; E308-A310 PolarHBondContact O-N 3.29Å
311	K	30.2	Very low	31.9	Very low	189 Å²	189	147.6 Å²	147.6	82%	0.822	76%	0.763	S	S	*	*			trans	-92	15.8	-174.4	-104.8	-174.8	-178.2	178	0	116.5
312	I	30.9	Very low	31.3	Very low	165 Å²	165	147.8 Å²	147.8	85%	0.846	78%	0.778	S	S	*	*			trans	-129.4	91.4	175.1	-54.2	177.6	0	0	0	110
313	A	26.9	Very low	30.8	Very low	97 Å²	97	145.7 Å²	145.7	80%	0.802	78%	0.783	S	S	*	*			trans	170.8	95.2	140	0	0	0	0	0	110.3
314	V	27.4	Very low	30.2	Very low	159 Å²	159	148.7 Å²	148.7	96%	0.964	80%	0.8	S	S	*	*			trans	-88.4	131	159.3	170.6	0	0	0	0	107.5
315	G	26	Very low	29.5	Very low	68 Å²	68	145.4 Å²	145.4	70%	0.701	81%	0.807	S	S	*	*			trans	175.6	107.5	167.9	0	0	0	0	0	117.9
316	K	25.1	Very low	28.8	Very low	210 Å²	210	144.7 Å²	144.7	91%	0.913	82%	0.821	S	S	*	*			trans	92.8	122.3	143.1	-78.7	-177.8	173.1	177.9	0	122.8
317	N	26.3	Very low	28.1	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	83%	0.828	S	S	*	*			trans	-16.7	149.6	155.3	-61	-5.6	0	0	0	119.8
318	T	25.1	Very low	27.8	Very low	148 Å²	148	145 Å²	145	91%	0.908	83%	0.832	S	S	*	*				-166.3	147.9	115.3	19.9	0	0	0	0	113.1
319	E	23.5	Very low	27.3	Very low	201 Å²	201	145.1 Å²	145.1	94%	0.939	83%	0.83	S	S	*	*			trans	-72.4	161.6	177.9	-58.1	175.6	143.4	0	0	114
320	G	25.1	Very low	26.7	Very low	79 Å²	79	143.4 Å²	143.4	81%	0.814	84%	0.836	S	S	*	*			trans	-176.8	109.1	164.5	0	0	0	0	0	114.2
321	K	25.2	Very low	26.4	Very low	205 Å²	205	143.8 Å²	143.8	89%	0.891	83%	0.834	S	S	*	*			trans	-70.5	150.4	176.8	-64	170.6	176.8	174.1	0	112.7
322	S	25.9	Very low	26.3	Very low	127 Å²	127	142.8 Å²	142.8	89%	0.888	84%	0.837	S	S	*	*				-165.1	130.2	128.5	-92.2	0	0	0	0	112.7
323	A	27	Very low	26.4	Very low	90 Å²	90	139 Å²	139	74%	0.744	84%	0.839	S	S	*	*			trans	-75.4	154	170	0	0	0	0	0	110.7
324	N	26.2	Very low	26.5	Very low	176 Å²	176	141.6 Å²	141.6	94%	0.941	84%	0.84	S	S	*	*			trans	-147.8	136.1	141.2	-104.5	-26.6	0	0	0	111.1
325	A	25.4	Very low	27	Very low	92 Å²	92	142.7 Å²	142.7	76%	0.76	83%	0.834	S	S	*	*			trans	-97.9	166.5	-172	0	0	0	0	0	111.9
326	A	25.9	Very low	28	Very low	98 Å²	98	146 Å²	146	81%	0.81	84%	0.835	S	S	*	*			trans	92	106.8	154.6	0	0	0	0	0	118.7
327	S	25.3	Very low	29.8	Very low	125 Å²	125	145.4 Å²	145.4	87%	0.874	83%	0.828	S	S	*	*				-150.5	117.1	108.7	54.7	0	0	0	0	111.2
328	R	27.7	Very low	32.3	Very low	218 Å²	218	139.5 Å²	139.5	82%	0.823	80%	0.796	S	S	*	*			trans	-86.2	149.7	159.5	-63.2	171.6	173	163.8	-4	105.8
329	F	26.3	Very low	35.1	Very low	159 Å²	159	140.2 Å²	140.2	70%	0.697	78%	0.782	S	S	*	*			cis	-154	158.1	44.7	-85.5	-95	0	0	0	108.2
330	D	25.2	Very low	37.9	Very low	169 Å²	169	133.2 Å²	133.2	90%	0.904	75%	0.751	S	S	*	*				-146.1	142.6	97.3	-96.6	-20.8	0	0	0	114.5
331	S	28.3	Very low	40.7	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	74%	0.735	S	S	*	*			trans	-82.9	123.8	-179.3	-53.5	0	0	0	0	111
332	N	26.7	Very low	43.6	Very low	167 Å²	167	125.7 Å²	125.7	89%	0.893	71%	0.707	S	S	*	*			trans	-165	122.9	138.7	-108.8	-9	0	0	0	110.4	N334	N332-N334 PolarHBondContact O-N 2.99Å
333	G	32.8	Very low	46.6	Very low	86 Å²	86	120 Å²	120	89%	0.887	67%	0.666	S	S	*	*			trans	-62.6	115.2	179.9	0	0	0	0	0	111.8
334	N	29.8	Very low	49.5	Very low	152 Å²	152	119.4 Å²	119.4	81%	0.813	65%	0.651	S	S	*	*			trans	-148.6	124.3	151.1	-147.7	3	0	0	0	106.7	N332	N332-N334 PolarHBondContact O-N 2.99Å
335	Q	38.4	Very low	52.5	Low	181 Å²	181	113 Å²	113	85%	0.846	61%	0.614	S	S	*	*	S	Bend	trans	-61.2	142.6	-179.1	-77.8	170	-42.3	0	0	110.9
336	D	47.3	Very low	55.2	Low	137 Å²	137	111 Å²	111	73%	0.733	59%	0.59	S	S	*	*			trans	53.6	66.3	162	-70.3	-24.8	0	0	0	119.3
337	R	62.6	Low	58	Low	199 Å²	199	108 Å²	108	75%	0.751	56%	0.56	S	S	*	*			trans	-105.5	109.8	152.7	-81.5	-173.7	162.8	-172.2	-4.9	109.8	R339	R337-R339 WeakPolarHBondContact O-CG 3.37Å
338	I	78.6	Confident	60.8	Low	26 Å²	26	102 Å²	102	13%	0.133	52%	0.519	C	S	.	.			trans	-61.1	131.4	173.1	-65.6	163.1	0	0	0	109.5	F343 H408 S409 F411 T664	I338-F343 HydrophobicContact CG2-CE2 3.42Å; I338-F343 VanDerWaalsContact CG2-CE2 3.42Å; I338-F343 HydrophobicContact CG2-CZ 3.72Å; I338-H408 WeakPolarHBondContact CD1-CE1 3Å; I338-S409 VanDerWaalsContact CD1-CB 3.43Å; I338-S409 WeakPolarHBondContact CD1-OG 3.5Å; I338-F411 HydrophobicContact CG2-CD1 3.94Å; I338-F411 HydrophobicContact CG2-CE1 4.1Å; I338-T664 HydrophobicContact CD1-CG2 3.96Å
339	R	82.8	Confident	63.3	Low	162 Å²	162	92.4 Å²	92.4	61%	0.611	48%	0.483	S	S	*	.			trans	-127.3	161.6	-177.8	-64	174.5	-169.9	-157.8	1.6	110.9	R337 S341 D342 F343	R337-R339 WeakPolarHBondContact O-CG 3.37Å; R339-S341 WeakPolarHBondContact CB-OG 3.2Å; R339-S341 PolarHBondContact O-N 2.84Å; R339-S341 VanDerWaalsContact O-N 3.15Å; R339-D342 PolarHBondContact N-OD2 3.12Å; R339-D342 WeakPolarHBondContact O-CB 3.37Å; R339-D342 PolarHBondContact O-N 3.22Å; R339-F343 WeakPolarHBondContact O-CD2 3.4Å
340	L	83.2	Confident	65.6	Low	55 Å²	55	85.5 Å²	85.5	29%	0.288	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-53.9	-34.9	173	-171.8	63	0	0	0	112.7	D342 F343 F345 F411 Y418	L340-D342 PolarHBondContact O-N 2.96Å; L340-D342 VanDerWaalsContact O-N 3.15Å; L340-F343 PolarHBondContact O-N 3.44Å; L340-F345 HydrophobicContact CD1-CE2 3.54Å; L340-F345 HydrophobicContact CD1-CZ 3.49Å; L340-F345 VanDerWaalsContact CD1-CZ 3.49Å; L340-F345 HydrophobicContact CG-CE2 4.44Å; L340-F411 HydrophobicContact CB-CE2 4.01Å; L340-F411 HydrophobicContact CB-CZ 4.41Å; L340-F411 HydrophobicContact CD1-CE2 4.39Å; L340-F411 HydrophobicContact CD1-CZ 4.31Å; L340-Y418 HydrophobicContact CD1-CD1 4.06Å; L340-Y418 HydrophobicContact CD1-CE1 3.39Å
341	S	84.3	Confident	67.9	Low	69 Å²	69	83.8 Å²	83.8	48%	0.483	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-62.8	-17.5	178.9	52.3	0	0	0	0	114.1	R339 F343 K363	R339-S341 WeakPolarHBondContact CB-OG 3.2Å; R339-S341 PolarHBondContact O-N 2.84Å; R339-S341 VanDerWaalsContact O-N 3.15Å; S341-F343 VanDerWaalsContact C-N 3.29Å; S341-K363 VanDerWaalsContact O-CD 3.28Å; S341-K363 WeakPolarHBondContact O-CD 3.21Å; S341-K363 WeakPolarHBondContact O-CE 3.47Å; S341-K363 PolarHBondContact O-NZ 3.22Å
342	D	86.4	Confident	69.5	Low	56 Å²	56	81.7 Å²	81.7	30%	0.299	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-87	-6.9	-174	-51.9	-21.5	0	0	0	111.7	R339 L340 K363	R339-D342 PolarHBondContact N-OD2 3.12Å; R339-D342 WeakPolarHBondContact O-CB 3.37Å; R339-D342 PolarHBondContact O-N 3.22Å; L340-D342 PolarHBondContact O-N 2.96Å; L340-D342 VanDerWaalsContact O-N 3.15Å; D342-K363 WeakPolarHBondContact O-CB 3.28Å; D342-K363 WeakPolarHBondContact O-CG 3.47Å; D342-K363 PolarHBondContact O-N 2.96Å
343	F	89.3	Confident	70.7	Confident	9 Å²	9	78.3 Å²	78.3	4%	0.039	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.1	-179.3	-62	-78.4	0	0	0	111.6	I338 R339 L340 S341 A360 E361 R362 K363 Y369 I371 F411 V420	I338-F343 HydrophobicContact CG2-CE2 3.42Å; I338-F343 VanDerWaalsContact CG2-CE2 3.42Å; I338-F343 HydrophobicContact CG2-CZ 3.72Å; R339-F343 WeakPolarHBondContact O-CD2 3.4Å; L340-F343 PolarHBondContact O-N 3.44Å; S341-F343 VanDerWaalsContact C-N 3.29Å; F343-A360 HydrophobicContact CB-CB 4.18Å; F343-A360 HydrophobicContact CD1-CB 4.32Å; F343-E361 CarbonylContact C-O 3.53Å; F343-E361 WeakPolarHBondContact CA-O 3.32Å; F343-R362 HydrophobicContact CD1-CB 4.36Å; F343-R362 HydrophobicContact CE1-CB 4.27Å; F343-K363 WeakPolarHBondContact O-CE 3.18Å; F343-Y369 AromaticContact CE1-CD2 3.98Å; F343-Y369 HydrophobicContact CE1-CD2 3.98Å; F343-Y369 HydrophobicContact CE1-CE2 4.39Å; F343-Y369 HydrophobicContact CE1-CG 4.47Å; F343-I371 HydrophobicContact CB-CD1 4.14Å; F343-I371 HydrophobicContact CD1-CD1 3.71Å; F343-I371 HydrophobicContact CD2-CD1 4Å; F343-I371 HydrophobicContact CE1-CD1 4.07Å; F343-I371 HydrophobicContact CE2-CD1 4.33Å; F343-I371 HydrophobicContact CG-CD1 3.66Å; F343-I371 HydrophobicContact CZ-CD1 4.37Å; F343-F411 HydrophobicContact CD2-CE1 4.32Å; F343-F411 HydrophobicContact CD2-CZ 4.39Å; F343-F411 AromaticContact CE2-CE1 3.78Å; F343-F411 HydrophobicContact CE2-CE1 3.78Å; F343-F411 HydrophobicContact CE2-CZ 4.29Å; F343-V420 HydrophobicContact CE1-CG1 4Å; F343-V420 HydrophobicContact CE2-CG2 4.12Å; F343-V420 HydrophobicContact CZ-CG1 3.85Å; F343-V420 HydrophobicContact CZ-CG2 3.88Å
344	N	86.8	Confident	71.9	Confident	77 Å²	77	77.3 Å²	77.3	41%	0.412	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.6	167.2	-176	36.3	0	0	0	108.3	A360 E361	N344-A360 CarbonylContact O-C 3.58Å; N344-A360 VanDerWaalsContact O-CA 3.3Å; N344-A360 WeakPolarHBondContact O-CA 3.32Å; N344-E361 PolarHBondContact N-O 3.38Å; N344-E361 PolarHBondContact O-N 3.22Å
345	F	88.6	Confident	74.1	Confident	41 Å²	41	71.1 Å²	71.1	18%	0.18	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.8	178.2	-63.6	-70.8	0	0	0	110.1	L340 M358 A360 I371 I373 V640	L340-F345 HydrophobicContact CD1-CE2 3.54Å; L340-F345 HydrophobicContact CD1-CZ 3.49Å; L340-F345 VanDerWaalsContact CD1-CZ 3.49Å; L340-F345 HydrophobicContact CG-CE2 4.44Å; F345-M358 HydrophobicContact CB-CE 4.35Å; F345-M358 HydrophobicContact CB-SD 4.49Å; F345-M358 HydrophobicContact CD1-CB 3.78Å; F345-M358 HydrophobicContact CD1-CE 3.44Å; F345-M358 VanDerWaalsContact CD1-CE 3.44Å; F345-M358 HydrophobicContact CD1-SD 4.2Å; F345-M358 HydrophobicContact CD2-CE 3.92Å; F345-M358 HydrophobicContact CE1-CB 4.24Å; F345-M358 HydrophobicContact CE1-CE 3.53Å; F345-M358 HydrophobicContact CE2-CE 3.99Å; F345-M358 HydrophobicContact CG-CE 3.65Å; F345-M358 HydrophobicContact CG-SD 4.35Å; F345-M358 HydrophobicContact CZ-CE 3.81Å; F345-A360 HydrophobicContact CD1-CB 3.78Å; F345-A360 HydrophobicContact CE1-CB 4.13Å; F345-I371 HydrophobicContact CE1-CB 4.24Å; F345-I371 HydrophobicContact CE1-CD1 3.94Å; F345-I371 HydrophobicContact CE1-CG2 4.39Å; F345-I373 HydrophobicContact CE1-CD1 3.92Å; F345-I373 HydrophobicContact CZ-CD1 3.97Å; F345-V640 HydrophobicContact CB-CG1 3.17Å; F345-V640 HydrophobicContact CG-CG1 4.27Å
346	L	83.6	Confident	76.3	Confident	49 Å²	49	64 Å²	64	26%	0.257	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-45.5	-175	-58.3	-176.9	0	0	0	111.6	L359 E361 L368	L346-L359 HydrophobicContact CB-CD2 4.35Å; L346-L359 HydrophobicContact CB-CG 4.29Å; L346-L359 HydrophobicContact CD1-CD2 4.18Å; L346-L359 HydrophobicContact CD1-CG 4.19Å; L346-L359 PolarHBondContact N-O 3.38Å; L346-E361 HydrophobicContact CD1-CB 4.13Å; L346-E361 HydrophobicContact CD2-CB 4.47Å; L346-E361 HydrophobicContact CG-CB 4.39Å; L346-L368 HydrophobicContact CD1-CD2 3.75Å
347	M	83.4	Confident	78.3	Confident	36 Å²	36	59.4 Å²	59.4	18%	0.177	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	166.3	-178.4	62.4	-174.6	81.1	0	0	112.5	L349 M358 L359 T628 T636	M347-L349 HydrophobicContact CG-CD2 4.36Å; M347-M358 CarbonylContact O-C 3.26Å; M347-M358 VanDerWaalsContact O-CA 3.3Å; M347-M358 WeakPolarHBondContact O-CA 2.85Å; M347-L359 HydrophobicContact CE-CD2 4.12Å; M347-L359 HydrophobicContact CG-CB 3.81Å; M347-L359 HydrophobicContact CG-CD2 4.04Å; M347-L359 PolarHBondContact O-N 2.96Å; M347-L359 HydrophobicContact SD-CD2 4.28Å; M347-T628 HydrophobicContact CE-CG2 3.69Å; M347-T628 HydrophobicContact CG-CG2 4.49Å; M347-T628 HydrophobicContact SD-CG2 3.17Å; M347-T628 WeakPolarHBondContact SD-CG2 3.2Å; M347-T628 PolarHBondContact SD-OG1 3.5Å; M347-T628 VanDerWaalsContact SD-OG1 3.4Å; M347-T636 HydrophobicContact SD-CG2 3.94Å
348	V	83.8	Confident	79.5	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.5	172.2	-174.5	0	0	0	0	109.4	K356 M358 F635 T636 M638	V348-K356 HydrophobicContact CB-CD 4.47Å; V348-K356 HydrophobicContact CG1-CD 3.89Å; V348-K356 HydrophobicContact CG1-CG 3.62Å; V348-K356 HydrophobicContact CG2-CD 3.75Å; V348-K356 HydrophobicContact CG2-CG 4.41Å; V348-M358 HydrophobicContact CG2-CG 4.41Å; V348-M358 HydrophobicContact CG2-SD 4.34Å; V348-F635 HydrophobicContact CG1-CB 4.44Å; V348-F635 CarbonylContact O-C 3.59Å; V348-T636 PolarHBondContact O-N 3.5Å; V348-M638 HydrophobicContact CB-CB 4.27Å; V348-M638 HydrophobicContact CG1-SD 4.38Å; V348-M638 HydrophobicContact CG2-CB 3.99Å
349	L	80.6	Confident	80.1	Confident	15 Å²	15	48.7 Å²	48.7	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-31	177.2	-63.9	177.6	0	0	0	111.9	M347 V357 L359 A370 Y423 T628 F631	M347-L349 HydrophobicContact CG-CD2 4.36Å; L349-V357 HydrophobicContact CB-CG1 4.28Å; L349-V357 HydrophobicContact CD1-CG1 4.45Å; L349-V357 PolarHBondContact N-O 2.93Å; L349-L359 HydrophobicContact CD1-CB 3.95Å; L349-L359 HydrophobicContact CD2-CB 3.98Å; L349-L359 HydrophobicContact CG-CB 3.89Å; L349-A370 HydrophobicContact CD1-CB 4.15Å; L349-Y423 HydrophobicContact CD1-CD2 3.96Å; L349-Y423 HydrophobicContact CD1-CE2 3.81Å; L349-Y423 HydrophobicContact CD2-CE2 4.16Å; L349-T628 HydrophobicContact CD2-CG2 4.45Å; L349-F631 HydrophobicContact CB-CD1 4.2Å; L349-F631 HydrophobicContact CB-CE1 4.19Å; L349-F631 HydrophobicContact CD1-CE1 4.45Å; L349-F631 HydrophobicContact CD2-CD1 3.93Å; L349-F631 HydrophobicContact CD2-CD2 4.13Å; L349-F631 HydrophobicContact CD2-CE1 3.96Å; L349-F631 HydrophobicContact CD2-CE2 4.17Å; L349-F631 HydrophobicContact CD2-CG 4.01Å; L349-F631 HydrophobicContact CD2-CZ 4.07Å; L349-F631 HydrophobicContact CG-CE1 4.42Å
350	G	75.9	Confident	80.4	Confident	15 Å²	15	41 Å²	41	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	163.9	179	0	0	0	0	0	112.9	V357	G350-V357 PolarHBondContact N-O 2.86Å; G350-V357 PolarHBondContact O-N 2.9Å
351	K	72.2	Confident	80.7	Confident	133 Å²	133	39.8 Å²	39.8	58%	0.578	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	124.2	175.9	-174.3	-174	176	-168.8	0	108.9	F635 M638	K351-F635 HydrophobicContact CB-CD1 4.45Å; K351-F635 HydrophobicContact CB-CE1 4.22Å; K351-M638 HydrophobicContact CD-CE 4.38Å
352	G	61.9	Low	80.9	Confident	51 Å²	51	40.3 Å²	40.3	53%	0.526	22%	0.224	S	C	.	.			trans	-111.7	-173.5	176.2	0	0	0	0	0	112.1	F354 G355	G352-F354 VanDerWaalsContact C-N 3.34Å; G352-F354 PolarHBondContact O-N 2.69Å; G352-G355 PolarHBondContact N-O 3.14Å
353	S	52.7	Low	80.9	Confident	95 Å²	95	43.7 Å²	43.7	66%	0.664	24%	0.236	S	C	*	.	S	Bend	trans	-58.2	-44.1	175	44.1	0	0	0	0	112.3
354	F	58.5	Low	80.5	Confident	66 Å²	66	47.5 Å²	47.5	29%	0.289	28%	0.278	S	S	.	.	S	Bend	trans	-97.7	-8.4	-171	-50.6	-67.8	0	0	0	114.5	G352 L374 V378 D382 D384	G352-F354 VanDerWaalsContact C-N 3.34Å; G352-F354 PolarHBondContact O-N 2.69Å; F354-L374 HydrophobicContact CB-CD2 3.88Å; F354-L374 WeakPolarHBondContact O-CD2 3.43Å; F354-V378 HydrophobicContact CD1-CG1 4.47Å; F354-D382 HydrophobicContact CE1-CB 4.05Å; F354-D382 WeakPolarHBondContact CE1-OD2 3.43Å; F354-D384 WeakPolarHBondContact CE1-OD2 3.5Å; F354-D384 WeakPolarHBondContact CZ-OD2 3.5Å
355	G	75.6	Confident	80.3	Confident	22 Å²	22	46.2 Å²	46.2	23%	0.227	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	-169.7	-172.8	0	0	0	0	0	117.5	G352 I373	G352-G355 PolarHBondContact N-O 3.14Å; G355-I373 WeakPolarHBondContact CA-O 3.45Å
356	K	84.7	Confident	79.8	Confident	32 Å²	32	51.4 Å²	51.4	14%	0.139	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.6	-176.7	-172.8	-172.4	-90.7	-170.9	0	108.9	V348 M358 I373 A639 D641	V348-K356 HydrophobicContact CB-CD 4.47Å; V348-K356 HydrophobicContact CG1-CD 3.89Å; V348-K356 HydrophobicContact CG1-CG 3.62Å; V348-K356 HydrophobicContact CG2-CD 3.75Å; V348-K356 HydrophobicContact CG2-CG 4.41Å; K356-M358 HydrophobicContact CD-CG 3.86Å; K356-M358 HydrophobicContact CD-SD 3.87Å; K356-M358 HydrophobicContact CG-CG 4.02Å; K356-I373 PolarHBondContact N-O 2.82Å; K356-I373 PolarHBondContact O-N 3.41Å; K356-A639 PolarHBondContact NZ-O 2.98Å; K356-D641 PolarHBondContact NZ-O 2.78Å; K356-D641 VanDerWaalsContact NZ-O 3.12Å
357	V	88.8	Confident	79.9	Confident	40 Å²	40	52.1 Å²	52.1	24%	0.242	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.4	172.5	-173.9	0	0	0	0	108.2	L349 G350 A370 I371 K372	L349-V357 HydrophobicContact CB-CG1 4.28Å; L349-V357 HydrophobicContact CD1-CG1 4.45Å; L349-V357 PolarHBondContact N-O 2.93Å; G350-V357 PolarHBondContact N-O 2.86Å; G350-V357 PolarHBondContact O-N 2.9Å; V357-A370 HydrophobicContact CG1-CB 4.37Å; V357-I371 WeakPolarHBondContact CA-O 3.3Å; V357-K372 HydrophobicContact CG2-CB 4.13Å; V357-K372 HydrophobicContact CG2-CG 4.23Å
358	M	88.6	Confident	80.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.1	-178	-61.6	-155.4	-75.4	0	0	111.4	F345 M347 V348 K356 I371 I373 V640 L642	F345-M358 HydrophobicContact CB-CE 4.35Å; F345-M358 HydrophobicContact CB-SD 4.49Å; F345-M358 HydrophobicContact CD1-CB 3.78Å; F345-M358 HydrophobicContact CD1-CE 3.44Å; F345-M358 VanDerWaalsContact CD1-CE 3.44Å; F345-M358 HydrophobicContact CD1-SD 4.2Å; F345-M358 HydrophobicContact CD2-CE 3.92Å; F345-M358 HydrophobicContact CE1-CB 4.24Å; F345-M358 HydrophobicContact CE1-CE 3.53Å; F345-M358 HydrophobicContact CE2-CE 3.99Å; F345-M358 HydrophobicContact CG-CE 3.65Å; F345-M358 HydrophobicContact CG-SD 4.35Å; F345-M358 HydrophobicContact CZ-CE 3.81Å; M347-M358 CarbonylContact O-C 3.26Å; M347-M358 VanDerWaalsContact O-CA 3.3Å; M347-M358 WeakPolarHBondContact O-CA 2.85Å; V348-M358 HydrophobicContact CG2-CG 4.41Å; V348-M358 HydrophobicContact CG2-SD 4.34Å; K356-M358 HydrophobicContact CD-CG 3.86Å; K356-M358 HydrophobicContact CD-SD 3.87Å; K356-M358 HydrophobicContact CG-CG 4.02Å; M358-I371 PolarHBondContact N-O 2.87Å; M358-I371 PolarHBondContact O-N 2.78Å; M358-I373 HydrophobicContact CE-CD1 3.21Å; M358-I373 HydrophobicContact CG-CD1 4.37Å; M358-V640 HydrophobicContact SD-CG1 4Å; M358-L642 HydrophobicContact CE-CD2 3.61Å; M358-L642 HydrophobicContact CE-CG 4.09Å
359	L	90.2	Very high	80.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.1	165.7	-179.6	60.7	0	0	0	108.3	L346 M347 L349 L368 Y423 T628	L346-L359 HydrophobicContact CB-CD2 4.35Å; L346-L359 HydrophobicContact CB-CG 4.29Å; L346-L359 HydrophobicContact CD1-CD2 4.18Å; L346-L359 HydrophobicContact CD1-CG 4.19Å; L346-L359 PolarHBondContact N-O 3.38Å; M347-L359 HydrophobicContact CE-CD2 4.12Å; M347-L359 HydrophobicContact CG-CB 3.81Å; M347-L359 HydrophobicContact CG-CD2 4.04Å; M347-L359 PolarHBondContact O-N 2.96Å; M347-L359 HydrophobicContact SD-CD2 4.28Å; L349-L359 HydrophobicContact CD1-CB 3.95Å; L349-L359 HydrophobicContact CD2-CB 3.98Å; L349-L359 HydrophobicContact CG-CB 3.89Å; L359-L368 HydrophobicContact CD1-CB 4.17Å; L359-L368 HydrophobicContact CD1-CD2 4.34Å; L359-Y423 HydrophobicContact CD1-CD1 3.82Å; L359-Y423 HydrophobicContact CD1-CD2 3.57Å; L359-Y423 HydrophobicContact CD1-CE1 3.98Å; L359-Y423 HydrophobicContact CD1-CE2 3.77Å; L359-Y423 HydrophobicContact CD1-CG 3.6Å; L359-T628 HydrophobicContact CD2-CG2 4.1Å
360	A	90.6	Very high	81.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.8	178.2	0	0	0	0	0	111.5	F343 N344 F345 L368 Y369 I371	F343-A360 HydrophobicContact CB-CB 4.18Å; F343-A360 HydrophobicContact CD1-CB 4.32Å; N344-A360 CarbonylContact O-C 3.58Å; N344-A360 VanDerWaalsContact O-CA 3.3Å; N344-A360 WeakPolarHBondContact O-CA 3.32Å; F345-A360 HydrophobicContact CD1-CB 3.78Å; F345-A360 HydrophobicContact CE1-CB 4.13Å; A360-L368 WeakPolarHBondContact O-CA 3.39Å; A360-Y369 PolarHBondContact N-O 2.85Å; A360-Y369 PolarHBondContact O-N 3.35Å; A360-I371 HydrophobicContact CB-CD1 3.46Å; A360-I371 VanDerWaalsContact CB-CD1 3.46Å; A360-I371 HydrophobicContact CB-CG1 3.9Å
361	E	88.1	Confident	81.9	Confident	30 Å²	30	50.8 Å²	50.8	14%	0.14	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.7	170.8	179.3	171.4	-131.1	0	0	109.1	F343 N344 L346 E367 L368 R626	F343-E361 CarbonylContact C-O 3.53Å; F343-E361 WeakPolarHBondContact CA-O 3.32Å; N344-E361 PolarHBondContact N-O 3.38Å; N344-E361 PolarHBondContact O-N 3.22Å; L346-E361 HydrophobicContact CD1-CB 4.13Å; L346-E361 HydrophobicContact CD2-CB 4.47Å; L346-E361 HydrophobicContact CG-CB 4.39Å; E361-E367 WeakPolarHBondContact CA-O 3.43Å; E361-L368 HydrophobicContact CB-CD2 4.05Å; E361-R626 IonicContact OE1-CZ 2.71Å; E361-R626 IonicContact OE1-NH2 3.71Å; E361-R626 PolarHBondContact OE1-NH2 2.73Å; E361-R626 IonicContact OE2-NH2 3.56Å; E361-R626 PolarHBondContact OE2-NH2 2.97Å
362	R	88.4	Confident	82.9	Confident	80 Å²	80	45.9 Å²	45.9	30%	0.302	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.7	174.1	178	-178	-174.6	-175.5	4.2	109.6	F343 G364 T365 E367 Y369	F343-R362 HydrophobicContact CD1-CB 4.36Å; F343-R362 HydrophobicContact CE1-CB 4.27Å; R362-G364 PolarHBondContact O-N 3.42Å; R362-T365 WeakPolarHBondContact CB-OG1 3.33Å; R362-T365 PolarHBondContact O-N 2.57Å; R362-T365 VanDerWaalsContact O-N 3.1Å; R362-T365 PolarHBondContact O-OG1 3.33Å; R362-E367 PolarHBondContact N-O 3Å; R362-E367 IonicContact NH1-OE2 2.74Å; R362-Y369 HydrophobicContact CB-CD2 4.26Å; R362-Y369 HydrophobicContact CB-CE2 3.78Å
363	K	85.9	Confident	84.4	Confident	127 Å²	127	43.6 Å²	43.6	55%	0.552	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	130	-177.6	-70.5	-177.2	-174.6	169.9	0	110.7	S341 D342 F343 T365	S341-K363 VanDerWaalsContact O-CD 3.28Å; S341-K363 WeakPolarHBondContact O-CD 3.21Å; S341-K363 WeakPolarHBondContact O-CE 3.47Å; S341-K363 PolarHBondContact O-NZ 3.22Å; D342-K363 WeakPolarHBondContact O-CB 3.28Å; D342-K363 WeakPolarHBondContact O-CG 3.47Å; D342-K363 PolarHBondContact O-N 2.96Å; F343-K363 WeakPolarHBondContact O-CE 3.18Å; K363-T365 VanDerWaalsContact C-N 3.29Å
364	G	81.6	Confident	86.2	Confident	89 Å²	89	39.3 Å²	39.3	92%	0.918	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-3.9	-179.3	0	0	0	0	0	114.2	R362	R362-G364 PolarHBondContact O-N 3.42Å
365	T	83.6	Confident	87.7	Confident	50 Å²	50	38.7 Å²	38.7	31%	0.307	21%	0.212	S	C	.	.	S	Bend	trans	-125.5	169.7	170.1	73.3	0	0	0	0	110.1	R362 K363 E367	R362-T365 WeakPolarHBondContact CB-OG1 3.33Å; R362-T365 PolarHBondContact O-N 2.57Å; R362-T365 VanDerWaalsContact O-N 3.1Å; R362-T365 PolarHBondContact O-OG1 3.33Å; K363-T365 VanDerWaalsContact C-N 3.29Å; T365-E367 VanDerWaalsContact C-N 3.3Å; T365-E367 WeakPolarHBondContact OG1-CB 3.45Å; T365-E367 WeakPolarHBondContact OG1-CG 3.31Å; T365-E367 PolarHBondContact OG1-N 2.84Å; T365-E367 PolarHBondContact OG1-OE2 3.39Å
366	E	78.2	Confident	88.2	Confident	150 Å²	150	37.8 Å²	37.8	70%	0.701	20%	0.202	S	C	*	.			trans	-97.8	17.8	170.1	-62	-173.2	168.5	0	0	111.3
367	E	83.9	Confident	88.1	Confident	63 Å²	63	38.1 Å²	38.1	29%	0.294	21%	0.205	S	C	.	.			trans	-79.4	128.9	-176.5	-62.2	169.3	145	0	0	110.3	E361 R362 T365 Y369	E361-E367 WeakPolarHBondContact CA-O 3.43Å; R362-E367 PolarHBondContact N-O 3Å; R362-E367 IonicContact NH1-OE2 2.74Å; T365-E367 VanDerWaalsContact C-N 3.3Å; T365-E367 WeakPolarHBondContact OG1-CB 3.45Å; T365-E367 WeakPolarHBondContact OG1-CG 3.31Å; T365-E367 PolarHBondContact OG1-N 2.84Å; T365-E367 PolarHBondContact OG1-OE2 3.39Å; E367-Y369 HydrophobicContact CB-CE2 3.69Å; E367-Y369 PolarHBondContact OE2-OH 2.86Å
368	L	88.8	Confident	87.8	Confident	25 Å²	25	37.8 Å²	37.8	13%	0.131	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139	179.8	-64.5	172.8	0	0	0	110.5	L346 L359 A360 E361 Y423 R625 R626	L346-L368 HydrophobicContact CD1-CD2 3.75Å; L359-L368 HydrophobicContact CD1-CB 4.17Å; L359-L368 HydrophobicContact CD1-CD2 4.34Å; A360-L368 WeakPolarHBondContact O-CA 3.39Å; E361-L368 HydrophobicContact CB-CD2 4.05Å; L368-Y423 HydrophobicContact CB-CD1 3.93Å; L368-Y423 HydrophobicContact CB-CG 4.35Å; L368-Y423 HydrophobicContact CD1-CD1 4.11Å; L368-Y423 HydrophobicContact CD1-CE1 4.32Å; L368-R625 HydrophobicContact CD1-CB 4.37Å; L368-R625 WeakPolarHBondContact CD1-O 3.4Å; L368-R626 HydrophobicContact CD1-CG 3.87Å
369	Y	91.7	Very high	87.6	Confident	3 Å²	3	37.8 Å²	37.8	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.9	-179.9	-63	-84.5	0	0	0	110.8	F343 A360 R362 E367 H408 V420 M421 Y668	F343-Y369 AromaticContact CE1-CD2 3.98Å; F343-Y369 HydrophobicContact CE1-CD2 3.98Å; F343-Y369 HydrophobicContact CE1-CE2 4.39Å; F343-Y369 HydrophobicContact CE1-CG 4.47Å; A360-Y369 PolarHBondContact N-O 2.85Å; A360-Y369 PolarHBondContact O-N 3.35Å; R362-Y369 HydrophobicContact CB-CD2 4.26Å; R362-Y369 HydrophobicContact CB-CE2 3.78Å; E367-Y369 HydrophobicContact CB-CE2 3.69Å; E367-Y369 PolarHBondContact OE2-OH 2.86Å; Y369-H408 HydrophobicContact CD1-CB 4.25Å; Y369-H408 HydrophobicContact CE1-CB 3.83Å; Y369-H408 AromaticContact CE1-CD2 3.83Å; Y369-H408 AromaticContact CE1-CG 3.76Å; Y369-V420 HydrophobicContact CD1-CG1 3.61Å; Y369-V420 HydrophobicContact CE1-CG1 4.27Å; Y369-V420 HydrophobicContact CG-CG1 3.73Å; Y369-M421 WeakPolarHBondContact CA-O 3.31Å; Y369-M421 WeakPolarHBondContact CB-O 3.5Å; Y369-Y668 AromaticContact CE1-CE1 3.98Å; Y369-Y668 HydrophobicContact CE1-CE1 3.98Å; Y369-Y668 AromaticContact CE1-CZ 3.92Å
370	A	92.5	Very high	87.1	Confident	11 Å²	11	40.7 Å²	40.7	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.4	164.9	0	0	0	0	0	108.5	L349 V357 M421	L349-A370 HydrophobicContact CD1-CB 4.15Å; V357-A370 HydrophobicContact CG1-CB 4.37Å; A370-M421 PolarHBondContact N-O 3.21Å; A370-M421 WeakPolarHBondContact O-CB 3.49Å; A370-M421 PolarHBondContact O-N 3.14Å
371	I	94.2	Very high	86.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.1	-178.6	-53.9	-172.8	0	0	0	109.6	F343 F345 V357 M358 A360 I373 Y418 F419 V420	F343-I371 HydrophobicContact CB-CD1 4.14Å; F343-I371 HydrophobicContact CD1-CD1 3.71Å; F343-I371 HydrophobicContact CD2-CD1 4Å; F343-I371 HydrophobicContact CE1-CD1 4.07Å; F343-I371 HydrophobicContact CE2-CD1 4.33Å; F343-I371 HydrophobicContact CG-CD1 3.66Å; F343-I371 HydrophobicContact CZ-CD1 4.37Å; F345-I371 HydrophobicContact CE1-CB 4.24Å; F345-I371 HydrophobicContact CE1-CD1 3.94Å; F345-I371 HydrophobicContact CE1-CG2 4.39Å; V357-I371 WeakPolarHBondContact CA-O 3.3Å; M358-I371 PolarHBondContact N-O 2.87Å; M358-I371 PolarHBondContact O-N 2.78Å; A360-I371 HydrophobicContact CB-CD1 3.46Å; A360-I371 VanDerWaalsContact CB-CD1 3.46Å; A360-I371 HydrophobicContact CB-CG1 3.9Å; I371-I373 HydrophobicContact CG2-CD1 4.25Å; I371-I373 HydrophobicContact CG2-CG1 3.81Å; I371-Y418 HydrophobicContact CG2-CD1 4.02Å; I371-F419 CarbonylContact C-O 3.48Å; I371-F419 VanDerWaalsContact CA-O 3.24Å; I371-F419 WeakPolarHBondContact CA-O 3.41Å; I371-V420 HydrophobicContact CD1-CG2 4.3Å; I371-V420 HydrophobicContact CG1-CG1 4.34Å; I371-V420 HydrophobicContact CG1-CG2 4.39Å
372	K	93.3	Very high	85.9	Confident	30 Å²	30	50.4 Å²	50.4	13%	0.13	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.3	171.3	176.9	177.1	179.2	-176.3	0	108.9	V357 L374 E391 Y418 F419 M421 D485	V357-K372 HydrophobicContact CG2-CB 4.13Å; V357-K372 HydrophobicContact CG2-CG 4.23Å; K372-L374 HydrophobicContact CG-CD2 4.34Å; K372-E391 IonicContact NZ-OE1 2.73Å; K372-E391 PolarHBondContact NZ-OE1 3.42Å; K372-E391 IonicContact NZ-OE2 3.77Å; K372-E391 PolarHBondContact NZ-OE2 2.98Å; K372-Y418 WeakPolarHBondContact O-CA 3.18Å; K372-F419 HydrophobicContact CB-CB 4.22Å; K372-F419 PolarHBondContact N-O 2.94Å; K372-F419 PolarHBondContact O-N 3.33Å; K372-M421 HydrophobicContact CB-CE 3.6Å; K372-D485 IonicContact NZ-OD1 3.87Å; K372-D485 PolarHBondContact NZ-OD1 2.98Å
373	I	92.7	Very high	85.5	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.4	-172.2	-52.6	171.5	0	0	0	108.8	F345 G355 K356 M358 I371 R416 L417 Y418 L642	F345-I373 HydrophobicContact CE1-CD1 3.92Å; F345-I373 HydrophobicContact CZ-CD1 3.97Å; G355-I373 WeakPolarHBondContact CA-O 3.45Å; K356-I373 PolarHBondContact N-O 2.82Å; K356-I373 PolarHBondContact O-N 3.41Å; M358-I373 HydrophobicContact CE-CD1 3.21Å; M358-I373 HydrophobicContact CG-CD1 4.37Å; I371-I373 HydrophobicContact CG2-CD1 4.25Å; I371-I373 HydrophobicContact CG2-CG1 3.81Å; I373-R416 HydrophobicContact CG2-CB 4.3Å; I373-R416 HydrophobicContact CG2-CG 4.34Å; I373-L417 WeakPolarHBondContact CA-O 3.25Å; I373-Y418 HydrophobicContact CB-CD1 4.42Å; I373-Y418 HydrophobicContact CB-CE1 4.4Å; I373-Y418 HydrophobicContact CD1-CD1 4.05Å; I373-Y418 HydrophobicContact CD1-CE1 3.82Å; I373-Y418 HydrophobicContact CG1-CD1 3.67Å; I373-Y418 HydrophobicContact CG1-CE1 3.84Å; I373-Y418 HydrophobicContact CG2-CD1 4.1Å; I373-Y418 HydrophobicContact CG2-CE1 3.72Å; I373-L642 HydrophobicContact CD1-CD2 3.9Å; I373-L642 HydrophobicContact CG2-CD2 4.21Å
374	L	90.6	Very high	85.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.6	178.2	-52.3	176.3	0	0	0	109.4	F354 K372 V379 T388 R416 L417 F419	F354-L374 HydrophobicContact CB-CD2 3.88Å; F354-L374 WeakPolarHBondContact O-CD2 3.43Å; K372-L374 HydrophobicContact CG-CD2 4.34Å; L374-V379 HydrophobicContact CB-CG2 4.02Å; L374-V379 HydrophobicContact CD1-CG2 4.33Å; L374-T388 HydrophobicContact CD1-CG2 3.82Å; L374-R416 CarbonylContact O-C 3.43Å; L374-R416 WeakPolarHBondContact O-CA 3.37Å; L374-R416 WeakPolarHBondContact O-CB 3.41Å; L374-L417 HydrophobicContact CB-CB 4.33Å; L374-L417 PolarHBondContact N-O 2.92Å; L374-L417 PolarHBondContact O-N 3.11Å; L374-F419 HydrophobicContact CD1-CE2 3.8Å; L374-F419 HydrophobicContact CG-CE2 4.48Å
375	K	89.1	Confident	85.8	Confident	53 Å²	53	45.5 Å²	45.5	23%	0.23	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.9	170.6	-54.8	-177.4	175.3	-178.9	0	109.7	D377 V378 V379	K375-D377 VanDerWaalsContact C-N 3.32Å; K375-D377 WeakPolarHBondContact CB-OD1 3.25Å; K375-D377 PolarHBondContact O-N 2.93Å; K375-V378 HydrophobicContact CB-CB 4.33Å; K375-V378 HydrophobicContact CB-CG2 4.02Å; K375-V378 HydrophobicContact CD-CG2 4.05Å; K375-V378 PolarHBondContact O-N 3.32Å; K375-V379 WeakPolarHBondContact O-CG2 3.43Å; K375-V379 PolarHBondContact O-N 3.36Å; K375-V379 VanDerWaalsContact O-N 3.13Å
376	K	87.9	Confident	86	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-38.1	-177	-75.2	-177.7	167.4	178	0	112.7	V379 I380 Q412 T413 D415 L417 L653 F658	K376-V379 PolarHBondContact O-N 3.24Å; K376-I380 WeakPolarHBondContact O-CG1 3.25Å; K376-I380 PolarHBondContact O-N 3.18Å; K376-Q412 VanDerWaalsContact CE-OE1 3.3Å; K376-T413 WeakPolarHBondContact CE-O 3.3Å; K376-T413 PolarHBondContact NZ-O 2.93Å; K376-D415 PolarHBondContact N-O 2.98Å; K376-L417 HydrophobicContact CG-CD2 4.25Å; K376-L417 HydrophobicContact CG-CG 4.09Å; K376-L653 HydrophobicContact CB-CD1 3.97Å; K376-L653 HydrophobicContact CB-CD2 4.1Å; K376-F658 HydrophobicContact CB-CD2 4.48Å; K376-F658 HydrophobicContact CB-CE2 3.74Å; K376-F658 HydrophobicContact CB-CZ 4.26Å; K376-F658 HydrophobicContact CD-CD2 3.75Å; K376-F658 HydrophobicContact CD-CE2 3.87Å; K376-F658 HydrophobicContact CG-CD2 3.89Å; K376-F658 HydrophobicContact CG-CE2 3.58Å; K376-F658 HydrophobicContact CG-CZ 4.16Å
377	D	81.9	Confident	86.4	Confident	39 Å²	39	44.1 Å²	44.1	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-45.1	178.3	60.9	-23	0	0	0	112.6	K375 I380 Q381 V649 L653	K375-D377 VanDerWaalsContact C-N 3.32Å; K375-D377 WeakPolarHBondContact CB-OD1 3.25Å; K375-D377 PolarHBondContact O-N 2.93Å; D377-I380 PolarHBondContact O-N 3.08Å; D377-Q381 WeakPolarHBondContact O-CB 3.2Å; D377-Q381 PolarHBondContact O-N 3.32Å; D377-V649 HydrophobicContact CB-CG1 3.44Å; D377-V649 VanDerWaalsContact CB-CG1 3.44Å; D377-L653 HydrophobicContact CB-CD1 4.46Å; D377-L653 HydrophobicContact CB-CD2 4.34Å
378	V	83	Confident	86.8	Confident	33 Å²	33	41.5 Å²	41.5	20%	0.2	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-46.3	175.8	179.2	0	0	0	0	110.6	F354 K375 I380 Q381 D382	F354-V378 HydrophobicContact CD1-CG1 4.47Å; K375-V378 HydrophobicContact CB-CB 4.33Å; K375-V378 HydrophobicContact CB-CG2 4.02Å; K375-V378 HydrophobicContact CD-CG2 4.05Å; K375-V378 PolarHBondContact O-N 3.32Å; V378-I380 VanDerWaalsContact C-N 3.34Å; V378-I380 PolarHBondContact O-N 3.13Å; V378-Q381 PolarHBondContact O-N 3.15Å; V378-D382 WeakPolarHBondContact O-CB 3.1Å; V378-D382 PolarHBondContact O-N 3.03Å
379	V	83.3	Confident	87	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-40.4	179.7	173.8	0	0	0	0	112.1	L374 K375 K376 D383 D384 V385 T388 F658	L374-V379 HydrophobicContact CB-CG2 4.02Å; L374-V379 HydrophobicContact CD1-CG2 4.33Å; K375-V379 WeakPolarHBondContact O-CG2 3.43Å; K375-V379 PolarHBondContact O-N 3.36Å; K375-V379 VanDerWaalsContact O-N 3.13Å; K376-V379 PolarHBondContact O-N 3.24Å; V379-D383 PolarHBondContact O-N 2.81Å; V379-D384 HydrophobicContact CG1-CB 4.29Å; V379-D384 PolarHBondContact O-N 3.28Å; V379-V385 HydrophobicContact CG1-CG2 4.12Å; V379-T388 WeakPolarHBondContact CG1-OG1 3.4Å; V379-F658 HydrophobicContact CB-CZ 4.31Å; V379-F658 HydrophobicContact CG1-CE1 3.95Å; V379-F658 HydrophobicContact CG1-CZ 4.02Å
380	I	80.4	Confident	87.1	Confident	61 Å²	61	41.8 Å²	41.8	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-71.9	-42.2	177.2	-74.2	161.1	0	0	0	111.3	K376 D377 V378 D382 D383 V385 L653 F658	K376-I380 WeakPolarHBondContact O-CG1 3.25Å; K376-I380 PolarHBondContact O-N 3.18Å; D377-I380 PolarHBondContact O-N 3.08Å; V378-I380 VanDerWaalsContact C-N 3.34Å; V378-I380 PolarHBondContact O-N 3.13Å; I380-D382 PolarHBondContact O-N 3.43Å; I380-D383 PolarHBondContact O-N 2.98Å; I380-D383 VanDerWaalsContact O-N 3.16Å; I380-V385 HydrophobicContact CG1-CG2 3.78Å; I380-L653 HydrophobicContact CD1-CD2 3.35Å; I380-F658 HydrophobicContact CD1-CE2 3.64Å; I380-F658 HydrophobicContact CD1-CZ 4.02Å; I380-F658 HydrophobicContact CG1-CE2 4.08Å; I380-F658 HydrophobicContact CG1-CZ 3.93Å
381	Q	77.8	Confident	87.2	Confident	160 Å²	160	41.6 Å²	41.6	75%	0.748	21%	0.213	S	C	*	.	H	α-helix	trans	-61.3	-36	179.8	-179.7	176.9	-11.1	0	0	112	D377 V378 D383	D377-Q381 WeakPolarHBondContact O-CB 3.2Å; D377-Q381 PolarHBondContact O-N 3.32Å; V378-Q381 PolarHBondContact O-N 3.15Å; Q381-D383 VanDerWaalsContact C-N 3.34Å
382	D	76.1	Confident	87.2	Confident	74 Å²	74	43 Å²	43	40%	0.396	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.6	-179.4	-64.4	-18	0	0	0	113.1	F354 V378 I380 D384	F354-D382 HydrophobicContact CE1-CB 4.05Å; F354-D382 WeakPolarHBondContact CE1-OD2 3.43Å; V378-D382 WeakPolarHBondContact O-CB 3.1Å; V378-D382 PolarHBondContact O-N 3.03Å; I380-D382 PolarHBondContact O-N 3.43Å; D382-D384 VanDerWaalsContact C-N 3.28Å; D382-D384 PolarHBondContact O-N 3.4Å
383	D	78.6	Confident	87.4	Confident	144 Å²	144	45.9 Å²	45.9	77%	0.77	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	32.5	-178.3	-160.4	32.6	0	0	0	113.9	V379 I380 Q381	V379-D383 PolarHBondContact O-N 2.81Å; I380-D383 PolarHBondContact O-N 2.98Å; I380-D383 VanDerWaalsContact O-N 3.16Å; Q381-D383 VanDerWaalsContact C-N 3.34Å
384	D	85.6	Confident	87.5	Confident	36 Å²	36	45.8 Å²	45.8	19%	0.193	23%	0.229	C	C	.	.			trans	-103.4	17	-172.7	-86.7	-39.9	0	0	0	114.1	F354 V379 D382 E386 C387 T388	F354-D384 WeakPolarHBondContact CE1-OD2 3.5Å; F354-D384 WeakPolarHBondContact CZ-OD2 3.5Å; V379-D384 HydrophobicContact CG1-CB 4.29Å; V379-D384 PolarHBondContact O-N 3.28Å; D382-D384 VanDerWaalsContact C-N 3.28Å; D382-D384 PolarHBondContact O-N 3.4Å; D384-E386 PolarHBondContact O-N 3.06Å; D384-C387 HydrophobicContact CB-CB 4.42Å; D384-C387 PolarHBondContact O-N 3.47Å; D384-C387 PolarHBondContact OD1-SG 2.93Å; D384-C387 VanDerWaalsContact OD1-SG 3.35Å; D384-T388 WeakPolarHBondContact O-CB 3.39Å; D384-T388 PolarHBondContact O-N 3.27Å; D384-T388 PolarHBondContact O-OG1 3.3Å
385	V	88.5	Confident	87.7	Confident	12 Å²	12	45.7 Å²	45.7	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-50.2	178.9	177.8	0	0	0	0	110.8	V379 I380 C387 T388 M389 E657 F658	V379-V385 HydrophobicContact CG1-CG2 4.12Å; I380-V385 HydrophobicContact CG1-CG2 3.78Å; V385-C387 PolarHBondContact O-N 2.58Å; V385-T388 WeakPolarHBondContact O-CB 3.12Å; V385-T388 PolarHBondContact O-N 2.84Å; V385-M389 WeakPolarHBondContact O-CG 3.45Å; V385-M389 PolarHBondContact O-N 2.98Å; V385-E657 HydrophobicContact CG1-CB 4.29Å; V385-F658 HydrophobicContact CB-CE1 4.4Å; V385-F658 HydrophobicContact CG1-CD1 4.3Å; V385-F658 HydrophobicContact CG1-CE1 3.96Å; V385-F658 HydrophobicContact CG2-CE1 4.1Å; V385-F658 HydrophobicContact CG2-CZ 4.05Å
386	E	87.6	Confident	88	Confident	126 Å²	126	44 Å²	44	59%	0.589	23%	0.225	S	C	*	.	H	α-helix	trans	-64.7	-41.8	179.3	-78.4	-60.8	137.7	0	0	112.2	D384 T388 M389 V390	D384-E386 PolarHBondContact O-N 3.06Å; E386-T388 VanDerWaalsContact C-N 3.27Å; E386-T388 PolarHBondContact O-N 3.4Å; E386-M389 PolarHBondContact O-N 2.85Å; E386-V390 WeakPolarHBondContact O-CB 3.43Å; E386-V390 WeakPolarHBondContact O-CG2 3.27Å; E386-V390 PolarHBondContact O-N 2.96Å
387	C	88.1	Confident	88.3	Confident	46 Å²	46	45.9 Å²	45.9	31%	0.311	23%	0.234	S	C	.	.	H	α-helix	trans	-56.9	-43.8	174.7	-62.1	0	0	0	0	110.9	D384 V385 V390 E391	D384-C387 HydrophobicContact CB-CB 4.42Å; D384-C387 PolarHBondContact O-N 3.47Å; D384-C387 PolarHBondContact OD1-SG 2.93Å; D384-C387 VanDerWaalsContact OD1-SG 3.35Å; V385-C387 PolarHBondContact O-N 2.58Å; C387-V390 PolarHBondContact O-N 3Å; C387-E391 WeakPolarHBondContact O-CB 3.3Å; C387-E391 PolarHBondContact O-N 3.47Å
388	T	91.7	Very high	88.7	Confident	8 Å²	8	47.7 Å²	47.7	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-40.6	178	-58.2	0	0	0	0	112.4	L374 V379 D384 V385 E386 E391 K392 L417 F419 F661	L374-T388 HydrophobicContact CD1-CG2 3.82Å; V379-T388 WeakPolarHBondContact CG1-OG1 3.4Å; D384-T388 WeakPolarHBondContact O-CB 3.39Å; D384-T388 PolarHBondContact O-N 3.27Å; D384-T388 PolarHBondContact O-OG1 3.3Å; V385-T388 WeakPolarHBondContact O-CB 3.12Å; V385-T388 PolarHBondContact O-N 2.84Å; E386-T388 VanDerWaalsContact C-N 3.27Å; E386-T388 PolarHBondContact O-N 3.4Å; T388-E391 PolarHBondContact O-N 3.36Å; T388-K392 PolarHBondContact O-N 3.4Å; T388-K392 VanDerWaalsContact O-N 3.1Å; T388-L417 HydrophobicContact CG2-CD1 3.6Å; T388-F419 HydrophobicContact CG2-CE2 4.16Å; T388-F419 HydrophobicContact CG2-CZ 3.95Å; T388-F661 HydrophobicContact CG2-CE2 4.16Å
389	M	92.9	Very high	89.1	Confident	21 Å²	21	49 Å²	49	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-72	-35.3	178.1	-68.1	-61.2	-77.6	0	0	112.3	V385 E386 K392 R393 L659 F661	V385-M389 WeakPolarHBondContact O-CG 3.45Å; V385-M389 PolarHBondContact O-N 2.98Å; E386-M389 PolarHBondContact O-N 2.85Å; M389-K392 PolarHBondContact O-N 3.44Å; M389-R393 WeakPolarHBondContact O-CG 3.42Å; M389-R393 PolarHBondContact O-N 2.91Å; M389-R393 VanDerWaalsContact O-N 3.08Å; M389-L659 WeakPolarHBondContact CE-O 3.44Å; M389-F661 HydrophobicContact SD-CB 4.28Å; M389-F661 HydrophobicContact SD-CD2 3.91Å
390	V	93.2	Very high	89.6	Confident	13 Å²	13	50.9 Å²	50.9	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-50	169.6	170	0	0	0	0	109.9	E386 C387 K392 R393 V394 C489 E491	E386-V390 WeakPolarHBondContact O-CB 3.43Å; E386-V390 WeakPolarHBondContact O-CG2 3.27Å; E386-V390 PolarHBondContact O-N 2.96Å; C387-V390 PolarHBondContact O-N 3Å; V390-K392 PolarHBondContact O-N 3.15Å; V390-R393 PolarHBondContact O-N 3.13Å; V390-V394 HydrophobicContact CG1-CG2 4.02Å; V390-V394 WeakPolarHBondContact O-CG2 3.4Å; V390-V394 PolarHBondContact O-N 2.91Å; V390-C489 HydrophobicContact CG1-CB 4.06Å; V390-E491 HydrophobicContact CG1-CG 4.1Å
391	E	94.8	Very high	90.3	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.028	26%	0.263	C	S	.	.	H	α-helix	trans	-53.4	-45.6	178.1	-174.9	175.6	179	0	0	111	K372 C387 T388 R393 V394 L395 F419 F486	K372-E391 IonicContact NZ-OE1 2.73Å; K372-E391 PolarHBondContact NZ-OE1 3.42Å; K372-E391 IonicContact NZ-OE2 3.77Å; K372-E391 PolarHBondContact NZ-OE2 2.98Å; C387-E391 WeakPolarHBondContact O-CB 3.3Å; C387-E391 PolarHBondContact O-N 3.47Å; T388-E391 PolarHBondContact O-N 3.36Å; E391-R393 PolarHBondContact O-N 3.42Å; E391-V394 PolarHBondContact O-N 3.41Å; E391-L395 HydrophobicContact CG-CD1 3.89Å; E391-L395 VanDerWaalsContact O-CB 3.27Å; E391-L395 WeakPolarHBondContact O-CB 3.32Å; E391-L395 WeakPolarHBondContact O-CG 3.47Å; E391-L395 PolarHBondContact O-N 3.35Å; E391-F419 HydrophobicContact CG-CE1 4.23Å; E391-F419 HydrophobicContact CG-CZ 4.46Å; E391-F486 HydrophobicContact CG-CB 4.16Å
392	K	95.2	Very high	91.1	Very high	30 Å²	30	42.7 Å²	42.7	13%	0.13	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-44.5	175.8	-179.9	-98.9	172.7	161.8	0	112.7	T388 M389 V390 A396 T410 F419 G660 F661	T388-K392 PolarHBondContact O-N 3.4Å; T388-K392 VanDerWaalsContact O-N 3.1Å; M389-K392 PolarHBondContact O-N 3.44Å; V390-K392 PolarHBondContact O-N 3.15Å; K392-A396 WeakPolarHBondContact O-CB 3.44Å; K392-A396 PolarHBondContact O-N 2.6Å; K392-A396 VanDerWaalsContact O-N 3.08Å; K392-T410 HydrophobicContact CG-CG2 4.02Å; K392-F419 HydrophobicContact CB-CE1 3.79Å; K392-F419 HydrophobicContact CB-CZ 4.33Å; K392-G660 PolarHBondContact NZ-O 2.91Å; K392-F661 HydrophobicContact CB-CD2 4.5Å; K392-F661 HydrophobicContact CB-CE2 4.29Å; K392-F661 WeakPolarHBondContact CE-O 3.34Å; K392-F661 HydrophobicContact CG-CD2 4.45Å; K392-F661 HydrophobicContact CG-CE2 4.46Å
393	R	95.8	Very high	92.1	Very high	90 Å²	90	39.1 Å²	39.1	34%	0.34	22%	0.221	S	C	.	.	H	α-helix	trans	-68.1	-43.6	-179.7	-73.2	-172.9	-62.3	-95	3.2	112	M389 V390 E391 A396 L397 E491	M389-R393 WeakPolarHBondContact O-CG 3.42Å; M389-R393 PolarHBondContact O-N 2.91Å; M389-R393 VanDerWaalsContact O-N 3.08Å; V390-R393 PolarHBondContact O-N 3.13Å; E391-R393 PolarHBondContact O-N 3.42Å; R393-A396 CarbonylContact O-C 3.56Å; R393-A396 PolarHBondContact O-N 3.4Å; R393-L397 PolarHBondContact O-N 3.34Å; R393-E491 WeakPolarHBondContact CB-OE1 3.29Å; R393-E491 IonicContact CZ-OE2 2.61Å; R393-E491 VanDerWaalsContact CZ-OE2 3.23Å; R393-E491 IonicContact NE-OE1 2.82Å; R393-E491 PolarHBondContact NE-OE1 3.34Å; R393-E491 IonicContact NE-OE2 3.28Å; R393-E491 PolarHBondContact NE-OE2 2.96Å; R393-E491 IonicContact NH2-OE2 3.92Å; R393-E491 PolarHBondContact NH2-OE2 3.43Å
394	V	95.7	Very high	92.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-46.2	177.7	176.6	0	0	0	0	110.9	V390 E391 A396 L397 L458 I463 F486 C489 E491	V390-V394 HydrophobicContact CG1-CG2 4.02Å; V390-V394 WeakPolarHBondContact O-CG2 3.4Å; V390-V394 PolarHBondContact O-N 2.91Å; E391-V394 PolarHBondContact O-N 3.41Å; V394-A396 PolarHBondContact O-N 2.66Å; V394-L397 HydrophobicContact CG1-CD1 4.33Å; V394-L397 WeakPolarHBondContact O-CB 3.36Å; V394-L397 WeakPolarHBondContact O-CD1 3.31Å; V394-L397 VanDerWaalsContact O-CG 3.27Å; V394-L397 WeakPolarHBondContact O-CG 3.18Å; V394-L397 PolarHBondContact O-N 2.94Å; V394-L458 HydrophobicContact CG1-CD2 4.05Å; V394-I463 HydrophobicContact CG2-CD1 4.07Å; V394-I463 HydrophobicContact CG2-CG2 4.18Å; V394-F486 HydrophobicContact CB-CB 4.34Å; V394-F486 HydrophobicContact CG1-CB 3.99Å; V394-F486 HydrophobicContact CG1-CD1 3.6Å; V394-F486 HydrophobicContact CG1-CE1 4.34Å; V394-F486 HydrophobicContact CG1-CG 3.92Å; V394-C489 HydrophobicContact CG2-CB 3.92Å; V394-E491 HydrophobicContact CG2-CG 4.23Å
395	L	94.9	Very high	93.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-29.8	176	-82.5	172	0	0	0	113	E391 K400 L407 F419 M421 F486	E391-L395 HydrophobicContact CG-CD1 3.89Å; E391-L395 VanDerWaalsContact O-CB 3.27Å; E391-L395 WeakPolarHBondContact O-CB 3.32Å; E391-L395 WeakPolarHBondContact O-CG 3.47Å; E391-L395 PolarHBondContact O-N 3.35Å; L395-K400 PolarHBondContact O-NZ 3.19Å; L395-L407 HydrophobicContact CB-CB 4.01Å; L395-L407 HydrophobicContact CB-CD1 4.46Å; L395-L407 HydrophobicContact CB-CD2 3.9Å; L395-L407 HydrophobicContact CB-CG 4.34Å; L395-L407 HydrophobicContact CD1-CD1 4.39Å; L395-L407 WeakPolarHBondContact O-CB 3.35Å; L395-F419 HydrophobicContact CD1-CD1 3.79Å; L395-F419 HydrophobicContact CD1-CE1 4.18Å; L395-M421 HydrophobicContact CD1-SD 4.38Å; L395-F486 HydrophobicContact CD2-CD2 3.42Å; L395-F486 VanDerWaalsContact CD2-CD2 3.42Å; L395-F486 HydrophobicContact CD2-CE2 3.59Å; L395-F486 HydrophobicContact CD2-CG 4.47Å; L395-F486 HydrophobicContact CG-CD2 3.81Å; L395-F486 HydrophobicContact CG-CE2 4.45Å; L395-F486 HydrophobicContact CG-CG 4.5Å
396	A	94.8	Very high	93.6	Very high	18 Å²	18	32.5 Å²	32.5	15%	0.149	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	1.1	179.7	0	0	0	0	0	114.7	K392 R393 V394 L407 Y663	K392-A396 WeakPolarHBondContact O-CB 3.44Å; K392-A396 PolarHBondContact O-N 2.6Å; K392-A396 VanDerWaalsContact O-N 3.08Å; R393-A396 CarbonylContact O-C 3.56Å; R393-A396 PolarHBondContact O-N 3.4Å; V394-A396 PolarHBondContact O-N 2.66Å; A396-L407 HydrophobicContact CB-CD2 4.2Å; A396-Y663 HydrophobicContact CB-CD1 3.92Å; A396-Y663 HydrophobicContact CB-CE1 3.58Å
397	L	94.3	Very high	94	Very high	41 Å²	41	26.5 Å²	26.5	22%	0.215	16%	0.156	C	C	.	.			trans	-58.6	142.2	176.5	-69	169	0	0	0	111.9	R393 V394 K400 Y457 I463	R393-L397 PolarHBondContact O-N 3.34Å; V394-L397 HydrophobicContact CG1-CD1 4.33Å; V394-L397 WeakPolarHBondContact O-CB 3.36Å; V394-L397 WeakPolarHBondContact O-CD1 3.31Å; V394-L397 VanDerWaalsContact O-CG 3.27Å; V394-L397 WeakPolarHBondContact O-CG 3.18Å; V394-L397 PolarHBondContact O-N 2.94Å; L397-K400 HydrophobicContact CB-CD 4.38Å; L397-K400 HydrophobicContact CB-CG 4.2Å; L397-K400 WeakPolarHBondContact O-CE 3.44Å; L397-K400 WeakPolarHBondContact O-CG 3.26Å; L397-Y457 HydrophobicContact CB-CE1 4.48Å; L397-Y457 WeakPolarHBondContact CB-OH 3.08Å; L397-Y457 HydrophobicContact CD1-CE1 4.11Å; L397-I463 HydrophobicContact CD1-CD1 3.51Å
398	T	91.3	Very high	94.3	Very high	77 Å²	77	25.2 Å²	25.2	47%	0.472	15%	0.145	S	C	.	.	S	Bend	trans	-93	150.2	178.4	55.9	0	0	0	0	112	K400 Y457	T398-K400 VanDerWaalsContact C-N 3.34Å; T398-Y457 PolarHBondContact O-OH 2.85Å
399	G	90.3	Very high	94.4	Very high	61 Å²	61	24.8 Å²	24.8	63%	0.629	14%	0.143	S	C	*	.	S	Bend	trans	69.7	28	-179.8	0	0	0	0	0	114.3	Y457	G399-Y457 WeakPolarHBondContact O-CE2 3.49Å
400	K	94.1	Very high	94.6	Very high	40 Å²	40	24 Å²	24	17%	0.174	14%	0.139	C	C	.	.			trans	-62.9	141.3	175.5	-70	-178.7	-64.3	180	0	110.7	L395 L397 T398 L404 T405 Y457	L395-K400 PolarHBondContact O-NZ 3.19Å; L397-K400 HydrophobicContact CB-CD 4.38Å; L397-K400 HydrophobicContact CB-CG 4.2Å; L397-K400 WeakPolarHBondContact O-CE 3.44Å; L397-K400 WeakPolarHBondContact O-CG 3.26Å; T398-K400 VanDerWaalsContact C-N 3.34Å; K400-L404 HydrophobicContact CB-CD1 4.47Å; K400-L404 HydrophobicContact CD-CB 4.38Å; K400-L404 HydrophobicContact CD-CD1 4.45Å; K400-L404 HydrophobicContact CG-CD1 4.35Å; K400-T405 PolarHBondContact NZ-O 3.23Å; K400-Y457 HydrophobicContact CB-CE1 4.4Å; K400-Y457 HydrophobicContact CG-CE1 3.76Å
401	P	95.2	Very high	94.6	Very high	9 Å²	9	24 Å²	24	6%	0.058	14%	0.138	C	C	.	.			trans	-63.3	157.7	169.3	29.2	-35.3	0	0	0	109.8	F403 L404 I453 Y457	P401-F403 HydrophobicContact CB-CD2 4.32Å; P401-F403 PolarHBondContact O-N 3.12Å; P401-L404 HydrophobicContact CG-CD1 4.25Å; P401-L404 HydrophobicContact CG-CG 4.14Å; P401-L404 PolarHBondContact O-N 2.91Å; P401-I453 HydrophobicContact CB-CG2 3.77Å; P401-I453 HydrophobicContact CG-CG2 4.19Å; P401-Y457 HydrophobicContact CG-CG 4.12Å
402	P	94.4	Very high	94.5	Very high	40 Å²	40	26.3 Å²	26.3	26%	0.26	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.9	-175.9	27.3	-35.8	0	0	0	113.4	K482 E610 K612	P402-K482 WeakPolarHBondContact O-CD 3.25Å; P402-K482 WeakPolarHBondContact O-CE 3.42Å; P402-K482 PolarHBondContact O-NZ 3.49Å; P402-E610 WeakPolarHBondContact CG-O 3.4Å; P402-K612 HydrophobicContact CB-CD 3.85Å; P402-K612 HydrophobicContact CB-CG 4.23Å; P402-K612 HydrophobicContact CG-CD 4.11Å; P402-K612 HydrophobicContact CG-CG 3.9Å
403	F	96.8	Very high	94.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.3	-177.8	-44.6	-56.9	0	0	0	115.2	P401 E450 I453 H480 I481 K482 I483 L609 K612	P401-F403 HydrophobicContact CB-CD2 4.32Å; P401-F403 PolarHBondContact O-N 3.12Å; F403-E450 HydrophobicContact CD1-CB 3.79Å; F403-E450 HydrophobicContact CD1-CG 3.93Å; F403-E450 HydrophobicContact CD2-CB 4.13Å; F403-E450 HydrophobicContact CE1-CB 3.96Å; F403-E450 HydrophobicContact CE1-CG 3.57Å; F403-E450 WeakPolarHBondContact CE1-OE1 3.49Å; F403-E450 HydrophobicContact CE2-CB 4.27Å; F403-E450 HydrophobicContact CE2-CG 4.21Å; F403-E450 HydrophobicContact CG-CB 3.88Å; F403-E450 HydrophobicContact CG-CG 4.4Å; F403-E450 HydrophobicContact CZ-CB 4.17Å; F403-E450 HydrophobicContact CZ-CG 3.7Å; F403-I453 HydrophobicContact CD2-CB 3.91Å; F403-I453 HydrophobicContact CD2-CD1 4.35Å; F403-I453 HydrophobicContact CD2-CG2 3.77Å; F403-I453 HydrophobicContact CE2-CB 4.09Å; F403-I453 HydrophobicContact CE2-CD1 3.67Å; F403-I453 HydrophobicContact CE2-CG1 4.49Å; F403-I453 HydrophobicContact CE2-CG2 3.93Å; F403-H480 HydrophobicContact CE1-CB 4.45Å; F403-I481 VanDerWaalsContact CA-O 3.26Å; F403-I481 WeakPolarHBondContact CA-O 3.32Å; F403-K482 CarbonylContact O-C 3.6Å; F403-K482 WeakPolarHBondContact O-CA 3.26Å; F403-I483 PolarHBondContact O-N 3.29Å; F403-L609 HydrophobicContact CZ-CG 4.28Å; F403-L609 WeakPolarHBondContact CZ-O 3.23Å; F403-K612 HydrophobicContact CE1-CG 4.29Å
404	L	96.4	Very high	93.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-103.9	143.5	171.5	-60.8	-177.3	0	0	0	110.2	K400 P401 Q406 Y457 L458 I483 F486	K400-L404 HydrophobicContact CB-CD1 4.47Å; K400-L404 HydrophobicContact CD-CB 4.38Å; K400-L404 HydrophobicContact CD-CD1 4.45Å; K400-L404 HydrophobicContact CG-CD1 4.35Å; P401-L404 HydrophobicContact CG-CD1 4.25Å; P401-L404 HydrophobicContact CG-CG 4.14Å; P401-L404 PolarHBondContact O-N 2.91Å; L404-Q406 PolarHBondContact O-N 3.24Å; L404-Y457 HydrophobicContact CD1-CD1 3.63Å; L404-Y457 HydrophobicContact CD1-CE1 4.1Å; L404-L458 HydrophobicContact CD1-CD2 4.16Å; L404-L458 HydrophobicContact CD1-CG 4.24Å; L404-I483 HydrophobicContact CD2-CB 3.83Å; L404-I483 HydrophobicContact CD2-CD1 3.9Å; L404-I483 HydrophobicContact CD2-CG1 4.19Å; L404-F486 HydrophobicContact CB-CZ 4.27Å; L404-F486 HydrophobicContact CD2-CE1 4.19Å; L404-F486 HydrophobicContact CD2-CZ 4.11Å
405	T	94.8	Very high	92.9	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.025	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-59.9	132.9	177.3	-58.8	0	0	0	0	111.2	K400 M421 E422 I424 I483 A484	K400-T405 PolarHBondContact NZ-O 3.23Å; T405-M421 HydrophobicContact CG2-CB 4.13Å; T405-E422 WeakPolarHBondContact CA-OE1 3.3Å; T405-E422 HydrophobicContact CG2-CG 4.1Å; T405-I424 HydrophobicContact CG2-CD1 4.15Å; T405-I483 WeakPolarHBondContact CB-O 3.43Å; T405-I483 PolarHBondContact N-O 3.48Å; T405-I483 PolarHBondContact OG1-O 3.24Å; T405-A484 WeakPolarHBondContact OG1-CA 3.27Å; T405-A484 WeakPolarHBondContact OG1-CB 3.38Å
406	Q	93.6	Very high	92.7	Very high	48 Å²	48	29.9 Å²	29.9	22%	0.224	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-85.8	137.6	178.4	-64.7	-171.5	84.6	0	0	111.8	L404 M421 E422 Y668	L404-Q406 PolarHBondContact O-N 3.24Å; Q406-M421 WeakPolarHBondContact O-CA 3.36Å; Q406-E422 HydrophobicContact CB-CB 4.36Å; Q406-E422 HydrophobicContact CB-CG 4.15Å; Q406-E422 WeakPolarHBondContact CG-OE1 3.47Å; Q406-E422 PolarHBondContact N-OE1 3Å; Q406-E422 PolarHBondContact NE2-OE2 2.86Å; Q406-E422 PolarHBondContact O-N 3.37Å; Q406-Y668 HydrophobicContact CB-CD2 4.08Å; Q406-Y668 HydrophobicContact CB-CE2 3.86Å
407	L	95.3	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.2	172	-178.6	72.2	0	0	0	108.2	L395 A396 T410 F419 V420 M421 Y663 N665	L395-L407 HydrophobicContact CB-CB 4.01Å; L395-L407 HydrophobicContact CB-CD1 4.46Å; L395-L407 HydrophobicContact CB-CD2 3.9Å; L395-L407 HydrophobicContact CB-CG 4.34Å; L395-L407 HydrophobicContact CD1-CD1 4.39Å; L395-L407 WeakPolarHBondContact O-CB 3.35Å; A396-L407 HydrophobicContact CB-CD2 4.2Å; L407-T410 HydrophobicContact CD1-CG2 3.94Å; L407-T410 HydrophobicContact CD2-CG2 4.04Å; L407-F419 HydrophobicContact CD1-CB 4.44Å; L407-F419 HydrophobicContact CD1-CD1 4.41Å; L407-V420 WeakPolarHBondContact CD1-O 3.4Å; L407-M421 HydrophobicContact CD1-CG 4.23Å; L407-Y663 HydrophobicContact CD2-CD1 3.84Å; L407-Y663 HydrophobicContact CD2-CE1 4.11Å; L407-N665 WeakPolarHBondContact O-CB 2.92Å; L407-N665 PolarHBondContact O-ND2 2.67Å
408	H	94.2	Very high	92.7	Very high	18 Å²	18	27.1 Å²	27.1	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-51	169.8	174.5	-93	0	0	0	110.4	I338 Y369 V420 N665 Y668	I338-H408 WeakPolarHBondContact CD1-CE1 3Å; Y369-H408 HydrophobicContact CD1-CB 4.25Å; Y369-H408 HydrophobicContact CE1-CB 3.83Å; Y369-H408 AromaticContact CE1-CD2 3.83Å; Y369-H408 AromaticContact CE1-CG 3.76Å; H408-V420 HydrophobicContact CB-CB 4.4Å; H408-V420 HydrophobicContact CB-CG1 4.09Å; H408-V420 WeakPolarHBondContact CB-O 3.22Å; H408-V420 PolarHBondContact N-O 3.46Å; H408-N665 WeakPolarHBondContact O-CB 3.5Å; H408-N665 PolarHBondContact O-N 2.76Å; H408-Y668 HydrophobicContact CB-CD1 4.38Å; H408-Y668 HydrophobicContact CB-CD2 3.88Å; H408-Y668 HydrophobicContact CB-CE1 4.4Å; H408-Y668 HydrophobicContact CB-CE2 3.9Å; H408-Y668 HydrophobicContact CB-CG 4.11Å; H408-Y668 AromaticContact CD2-CD1 3.54Å; H408-Y668 AromaticContact CD2-CE1 3.87Å; H408-Y668 AromaticContact CD2-CG 3.86Å
409	S	94.9	Very high	92.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	158.2	-176.6	56.9	0	0	0	0	112.2	I338 V420 Y663	I338-S409 VanDerWaalsContact CD1-CB 3.43Å; I338-S409 WeakPolarHBondContact CD1-OG 3.5Å; S409-V420 PolarHBondContact N-O 3Å; S409-V420 WeakPolarHBondContact O-CA 3.32Å; S409-V420 VanDerWaalsContact O-CB 3.32Å; S409-V420 WeakPolarHBondContact O-CB 3.35Å; S409-V420 PolarHBondContact O-N 2.68Å; S409-V420 WeakPolarHBondContact OG-CB 3.44Å; S409-V420 WeakPolarHBondContact OG-CG2 3.39Å; S409-Y663 CarbonylContact C-O 3.19Å; S409-Y663 VanDerWaalsContact CA-O 3.22Å; S409-Y663 WeakPolarHBondContact CA-O 3.18Å; S409-Y663 VanDerWaalsContact CB-O 3.3Å; S409-Y663 WeakPolarHBondContact CB-O 3.49Å
410	T	96.3	Very high	93.2	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.2	164.8	51.2	0	0	0	0	110.1	K392 L407 Y418 F419 F661 S662 Y663	K392-T410 HydrophobicContact CG-CG2 4.02Å; L407-T410 HydrophobicContact CD1-CG2 3.94Å; L407-T410 HydrophobicContact CD2-CG2 4.04Å; T410-Y418 WeakPolarHBondContact CA-O 3.42Å; T410-F419 HydrophobicContact CG2-CB 4.46Å; T410-F419 HydrophobicContact CG2-CD1 3.52Å; T410-F419 HydrophobicContact CG2-CE1 4Å; T410-F419 HydrophobicContact CG2-CG 4.08Å; T410-F661 WeakPolarHBondContact CB-O 3.27Å; T410-F661 HydrophobicContact CG2-CE1 4.21Å; T410-F661 HydrophobicContact CG2-CZ 4.02Å; T410-F661 PolarHBondContact OG1-O 3.04Å; T410-S662 VanDerWaalsContact O-CA 3.3Å; T410-S662 WeakPolarHBondContact O-CA 3.22Å; T410-Y663 PolarHBondContact N-O 3.48Å; T410-Y663 PolarHBondContact O-N 3.02Å; T410-Y663 VanDerWaalsContact O-O 3.13Å; T410-Y663 WeakPolarHBondContact OG1-CB 3.23Å; T410-Y663 PolarHBondContact OG1-N 3.02Å; T410-Y663 VanDerWaalsContact OG1-N 3.12Å
411	F	94.1	Very high	93.1	Very high	14 Å²	14	19.7 Å²	19.7	6%	0.061	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165.2	172.3	66.4	-91.1	0	0	0	110.2	I338 L340 F343 Y418 V420 F661	I338-F411 HydrophobicContact CG2-CD1 3.94Å; I338-F411 HydrophobicContact CG2-CE1 4.1Å; L340-F411 HydrophobicContact CB-CE2 4.01Å; L340-F411 HydrophobicContact CB-CZ 4.41Å; L340-F411 HydrophobicContact CD1-CE2 4.39Å; L340-F411 HydrophobicContact CD1-CZ 4.31Å; F343-F411 HydrophobicContact CD2-CE1 4.32Å; F343-F411 HydrophobicContact CD2-CZ 4.39Å; F343-F411 AromaticContact CE2-CE1 3.78Å; F343-F411 HydrophobicContact CE2-CE1 3.78Å; F343-F411 HydrophobicContact CE2-CZ 4.29Å; F411-Y418 AromaticContact CD2-CD2 3.72Å; F411-Y418 HydrophobicContact CD2-CD2 3.72Å; F411-Y418 HydrophobicContact CD2-CE2 4.46Å; F411-Y418 AromaticContact CD2-CG 3.94Å; F411-Y418 HydrophobicContact CD2-CG 3.94Å; F411-Y418 HydrophobicContact CE1-CG 4.19Å; F411-Y418 AromaticContact CE2-CD1 3.84Å; F411-Y418 HydrophobicContact CE2-CD1 3.84Å; F411-Y418 AromaticContact CE2-CD2 3.36Å; F411-Y418 HydrophobicContact CE2-CD2 3.36Å; F411-Y418 HydrophobicContact CE2-CE1 4.35Å; F411-Y418 AromaticContact CE2-CE2 3.93Å; F411-Y418 HydrophobicContact CE2-CE2 3.93Å; F411-Y418 AromaticContact CE2-CG 3.32Å; F411-Y418 HydrophobicContact CE2-CG 3.32Å; F411-Y418 AromaticContact CZ-CD1 3.71Å; F411-Y418 HydrophobicContact CZ-CD1 3.71Å; F411-Y418 HydrophobicContact CZ-CD2 4.03Å; F411-Y418 HydrophobicContact CZ-CE1 4.45Å; F411-Y418 AromaticContact CZ-CG 3.47Å; F411-Y418 HydrophobicContact CZ-CG 3.47Å; F411-Y418 VanDerWaalsContact CZ-CG 3.47Å; F411-Y418 PolarHBondContact N-O 3.38Å; F411-Y418 WeakPolarHBondContact O-CB 3.28Å; F411-Y418 PolarHBondContact O-N 3.47Å; F411-V420 HydrophobicContact CD1-CG2 4.09Å; F411-V420 HydrophobicContact CE1-CG2 3.64Å; F411-F661 VanDerWaalsContact O-CE1 3.25Å; F411-F661 WeakPolarHBondContact O-CE1 3.26Å
412	Q	92.5	Very high	92.9	Very high	55 Å²	55	19.8 Å²	19.8	26%	0.257	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.9	-177.6	58.8	178.4	-49.1	0	0	111	K376 R416 L417 F658 F661	K376-Q412 VanDerWaalsContact CE-OE1 3.3Å; Q412-R416 WeakPolarHBondContact CA-O 3.45Å; Q412-L417 HydrophobicContact CB-CD2 3.71Å; Q412-F658 PolarHBondContact NE2-O 3.46Å; Q412-F661 HydrophobicContact CB-CD1 4.06Å
413	T	87.7	Confident	92.7	Very high	41 Å²	41	19.2 Å²	19.2	25%	0.252	9%	0.094	S	C	.	.			trans	-107.7	-175.6	165.7	58.4	0	0	0	0	109.1	K376 D415 R416 Y418	K376-T413 WeakPolarHBondContact CE-O 3.3Å; K376-T413 PolarHBondContact NZ-O 2.93Å; T413-D415 PolarHBondContact O-N 3.11Å; T413-D415 PolarHBondContact OG1-OD1 3.07Å; T413-R416 PolarHBondContact N-O 2.78Å; T413-R416 WeakPolarHBondContact OG1-CB 3.46Å; T413-R416 PolarHBondContact OG1-N 3.3Å; T413-R416 VanDerWaalsContact OG1-N 3.14Å; T413-Y418 HydrophobicContact CG2-CE2 3.7Å
414	M	83	Confident	92.4	Very high	116 Å²	116	19.8 Å²	19.8	57%	0.571	10%	0.097	S	C	*	.	S	Bend	trans	-61.2	-24.6	176	-64.6	-64.2	-70.3	0	0	112.9	I650 Q655	M414-I650 HydrophobicContact CB-CG2 3.79Å; M414-I650 HydrophobicContact CE-CG2 4.25Å; M414-Q655 PolarHBondContact O-NE2 3.33Å; M414-Q655 PolarHBondContact O-OE1 2.98Å
415	D	82.8	Confident	91.6	Very high	28 Å²	28	20.5 Å²	20.5	15%	0.15	10%	0.101	C	C	.	.	S	Bend	trans	-123.3	-13.5	-170.3	68.2	-41.8	0	0	0	114.5	K376 T413 T645 I650	K376-D415 PolarHBondContact N-O 2.98Å; T413-D415 PolarHBondContact O-N 3.11Å; T413-D415 PolarHBondContact OG1-OD1 3.07Å; D415-T645 HydrophobicContact CB-CG2 3.96Å; D415-T645 WeakPolarHBondContact OD2-CB 3.47Å; D415-T645 PolarHBondContact OD2-OG1 3.11Å; D415-I650 HydrophobicContact CB-CD1 3.9Å; D415-I650 HydrophobicContact CB-CG1 3.9Å
416	R	90.8	Very high	90.8	Very high	13 Å²	13	20.3 Å²	20.3	5%	0.049	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.7	-170.1	-69	162.6	-166.3	-81.4	-15.5	113.7	I373 L374 Q412 T413 Y418 T643 T645	I373-R416 HydrophobicContact CG2-CB 4.3Å; I373-R416 HydrophobicContact CG2-CG 4.34Å; L374-R416 CarbonylContact O-C 3.43Å; L374-R416 WeakPolarHBondContact O-CA 3.37Å; L374-R416 WeakPolarHBondContact O-CB 3.41Å; Q412-R416 WeakPolarHBondContact CA-O 3.45Å; T413-R416 PolarHBondContact N-O 2.78Å; T413-R416 WeakPolarHBondContact OG1-CB 3.46Å; T413-R416 PolarHBondContact OG1-N 3.3Å; T413-R416 VanDerWaalsContact OG1-N 3.14Å; R416-Y418 HydrophobicContact CB-CD2 4.32Å; R416-Y418 HydrophobicContact CB-CE2 3.51Å; R416-Y418 WeakPolarHBondContact CD-OH 3.22Å; R416-T643 PolarHBondContact NH2-O 2.9Å; R416-T645 PolarHBondContact NH2-OG1 3.27Å
417	L	93.6	Very high	90.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.3	172.4	-55.9	174.7	0	0	0	109.2	I373 L374 K376 T388 Q412 F658 F661	I373-L417 WeakPolarHBondContact CA-O 3.25Å; L374-L417 HydrophobicContact CB-CB 4.33Å; L374-L417 PolarHBondContact N-O 2.92Å; L374-L417 PolarHBondContact O-N 3.11Å; K376-L417 HydrophobicContact CG-CD2 4.25Å; K376-L417 HydrophobicContact CG-CG 4.09Å; T388-L417 HydrophobicContact CG2-CD1 3.6Å; Q412-L417 HydrophobicContact CB-CD2 3.71Å; L417-F658 HydrophobicContact CD1-CD1 3.62Å; L417-F658 HydrophobicContact CD1-CE1 3.58Å; L417-F658 HydrophobicContact CD1-CG 4.33Å; L417-F658 HydrophobicContact CD1-CZ 4.24Å; L417-F658 HydrophobicContact CD2-CB 4.15Å; L417-F658 HydrophobicContact CD2-CD1 4.09Å; L417-F658 HydrophobicContact CD2-CG 4.02Å; L417-F658 HydrophobicContact CG-CD1 4.42Å; L417-F661 HydrophobicContact CB-CE1 3.93Å; L417-F661 HydrophobicContact CB-CE2 4.18Å; L417-F661 HydrophobicContact CB-CZ 3.71Å; L417-F661 HydrophobicContact CD1-CD2 4.46Å; L417-F661 HydrophobicContact CD1-CE2 4.22Å; L417-F661 HydrophobicContact CD2-CD1 3.92Å; L417-F661 HydrophobicContact CD2-CD2 4.19Å; L417-F661 HydrophobicContact CD2-CE1 4.11Å; L417-F661 HydrophobicContact CD2-CE2 4.37Å; L417-F661 HydrophobicContact CD2-CG 3.98Å; L417-F661 HydrophobicContact CD2-CZ 4.35Å; L417-F661 HydrophobicContact CG-CZ 4.43Å
418	Y	95	Very high	89.9	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.008	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.7	-175.8	-61.4	-100.6	0	0	0	110.2	L340 I371 K372 I373 T410 F411 T413 R416	L340-Y418 HydrophobicContact CD1-CD1 4.06Å; L340-Y418 HydrophobicContact CD1-CE1 3.39Å; I371-Y418 HydrophobicContact CG2-CD1 4.02Å; K372-Y418 WeakPolarHBondContact O-CA 3.18Å; I373-Y418 HydrophobicContact CB-CD1 4.42Å; I373-Y418 HydrophobicContact CB-CE1 4.4Å; I373-Y418 HydrophobicContact CD1-CD1 4.05Å; I373-Y418 HydrophobicContact CD1-CE1 3.82Å; I373-Y418 HydrophobicContact CG1-CD1 3.67Å; I373-Y418 HydrophobicContact CG1-CE1 3.84Å; I373-Y418 HydrophobicContact CG2-CD1 4.1Å; I373-Y418 HydrophobicContact CG2-CE1 3.72Å; T410-Y418 WeakPolarHBondContact CA-O 3.42Å; F411-Y418 AromaticContact CD2-CD2 3.72Å; F411-Y418 HydrophobicContact CD2-CD2 3.72Å; F411-Y418 HydrophobicContact CD2-CE2 4.46Å; F411-Y418 AromaticContact CD2-CG 3.94Å; F411-Y418 HydrophobicContact CD2-CG 3.94Å; F411-Y418 HydrophobicContact CE1-CG 4.19Å; F411-Y418 AromaticContact CE2-CD1 3.84Å; F411-Y418 HydrophobicContact CE2-CD1 3.84Å; F411-Y418 AromaticContact CE2-CD2 3.36Å; F411-Y418 HydrophobicContact CE2-CD2 3.36Å; F411-Y418 HydrophobicContact CE2-CE1 4.35Å; F411-Y418 AromaticContact CE2-CE2 3.93Å; F411-Y418 HydrophobicContact CE2-CE2 3.93Å; F411-Y418 AromaticContact CE2-CG 3.32Å; F411-Y418 HydrophobicContact CE2-CG 3.32Å; F411-Y418 AromaticContact CZ-CD1 3.71Å; F411-Y418 HydrophobicContact CZ-CD1 3.71Å; F411-Y418 HydrophobicContact CZ-CD2 4.03Å; F411-Y418 HydrophobicContact CZ-CE1 4.45Å; F411-Y418 AromaticContact CZ-CG 3.47Å; F411-Y418 HydrophobicContact CZ-CG 3.47Å; F411-Y418 VanDerWaalsContact CZ-CG 3.47Å; F411-Y418 PolarHBondContact N-O 3.38Å; F411-Y418 WeakPolarHBondContact O-CB 3.28Å; F411-Y418 PolarHBondContact O-N 3.47Å; T413-Y418 HydrophobicContact CG2-CE2 3.7Å; R416-Y418 HydrophobicContact CB-CD2 4.32Å; R416-Y418 HydrophobicContact CB-CE2 3.51Å; R416-Y418 WeakPolarHBondContact CD-OH 3.22Å
419	F	95.7	Very high	89.6	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.7	168.9	-63.1	-102.5	0	0	0	108.7	I371 K372 L374 T388 E391 K392 L395 L407 T410 M421 F661	I371-F419 CarbonylContact C-O 3.48Å; I371-F419 VanDerWaalsContact CA-O 3.24Å; I371-F419 WeakPolarHBondContact CA-O 3.41Å; K372-F419 HydrophobicContact CB-CB 4.22Å; K372-F419 PolarHBondContact N-O 2.94Å; K372-F419 PolarHBondContact O-N 3.33Å; L374-F419 HydrophobicContact CD1-CE2 3.8Å; L374-F419 HydrophobicContact CG-CE2 4.48Å; T388-F419 HydrophobicContact CG2-CE2 4.16Å; T388-F419 HydrophobicContact CG2-CZ 3.95Å; E391-F419 HydrophobicContact CG-CE1 4.23Å; E391-F419 HydrophobicContact CG-CZ 4.46Å; K392-F419 HydrophobicContact CB-CE1 3.79Å; K392-F419 HydrophobicContact CB-CZ 4.33Å; L395-F419 HydrophobicContact CD1-CD1 3.79Å; L395-F419 HydrophobicContact CD1-CE1 4.18Å; L407-F419 HydrophobicContact CD1-CB 4.44Å; L407-F419 HydrophobicContact CD1-CD1 4.41Å; T410-F419 HydrophobicContact CG2-CB 4.46Å; T410-F419 HydrophobicContact CG2-CD1 3.52Å; T410-F419 HydrophobicContact CG2-CE1 4Å; T410-F419 HydrophobicContact CG2-CG 4.08Å; F419-M421 HydrophobicContact CB-CG 4.38Å; F419-M421 HydrophobicContact CB-SD 4.49Å; F419-F661 HydrophobicContact CD1-CZ 4.41Å; F419-F661 AromaticContact CD2-CZ 3.96Å; F419-F661 HydrophobicContact CD2-CZ 3.96Å; F419-F661 HydrophobicContact CE1-CE2 4.02Å; F419-F661 HydrophobicContact CE1-CZ 4.06Å; F419-F661 AromaticContact CE2-CE2 3.77Å; F419-F661 HydrophobicContact CE2-CE2 3.77Å; F419-F661 AromaticContact CE2-CZ 3.55Å; F419-F661 HydrophobicContact CE2-CZ 3.55Å; F419-F661 HydrophobicContact CG-CZ 4.37Å; F419-F661 AromaticContact CZ-CE2 3.45Å; F419-F661 HydrophobicContact CZ-CE2 3.45Å; F419-F661 VanDerWaalsContact CZ-CE2 3.45Å; F419-F661 AromaticContact CZ-CZ 3.62Å; F419-F661 HydrophobicContact CZ-CZ 3.62Å
420	V	95.3	Very high	89.1	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	107.7	177.1	-173	0	0	0	0	108	F343 Y369 I371 L407 H408 S409 F411	F343-V420 HydrophobicContact CE1-CG1 4Å; F343-V420 HydrophobicContact CE2-CG2 4.12Å; F343-V420 HydrophobicContact CZ-CG1 3.85Å; F343-V420 HydrophobicContact CZ-CG2 3.88Å; Y369-V420 HydrophobicContact CD1-CG1 3.61Å; Y369-V420 HydrophobicContact CE1-CG1 4.27Å; Y369-V420 HydrophobicContact CG-CG1 3.73Å; I371-V420 HydrophobicContact CD1-CG2 4.3Å; I371-V420 HydrophobicContact CG1-CG1 4.34Å; I371-V420 HydrophobicContact CG1-CG2 4.39Å; L407-V420 WeakPolarHBondContact CD1-O 3.4Å; H408-V420 HydrophobicContact CB-CB 4.4Å; H408-V420 HydrophobicContact CB-CG1 4.09Å; H408-V420 WeakPolarHBondContact CB-O 3.22Å; H408-V420 PolarHBondContact N-O 3.46Å; S409-V420 PolarHBondContact N-O 3Å; S409-V420 WeakPolarHBondContact O-CA 3.32Å; S409-V420 VanDerWaalsContact O-CB 3.32Å; S409-V420 WeakPolarHBondContact O-CB 3.35Å; S409-V420 PolarHBondContact O-N 2.68Å; S409-V420 WeakPolarHBondContact OG-CB 3.44Å; S409-V420 WeakPolarHBondContact OG-CG2 3.39Å; F411-V420 HydrophobicContact CD1-CG2 4.09Å; F411-V420 HydrophobicContact CE1-CG2 3.64Å
421	M	93.8	Very high	88.4	Confident	22 Å²	22	22.7 Å²	22.7	11%	0.108	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	160.8	-175	-56.4	172.5	-65.9	0	0	110.6	Y369 A370 K372 L395 T405 Q406 L407 F419	Y369-M421 WeakPolarHBondContact CA-O 3.31Å; Y369-M421 WeakPolarHBondContact CB-O 3.5Å; A370-M421 PolarHBondContact N-O 3.21Å; A370-M421 WeakPolarHBondContact O-CB 3.49Å; A370-M421 PolarHBondContact O-N 3.14Å; K372-M421 HydrophobicContact CB-CE 3.6Å; L395-M421 HydrophobicContact CD1-SD 4.38Å; T405-M421 HydrophobicContact CG2-CB 4.13Å; Q406-M421 WeakPolarHBondContact O-CA 3.36Å; L407-M421 HydrophobicContact CD1-CG 4.23Å; F419-M421 HydrophobicContact CB-CG 4.38Å; F419-M421 HydrophobicContact CB-SD 4.49Å
422	E	91.1	Very high	87.9	Confident	11 Å²	11	22.8 Å²	22.8	5%	0.051	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	142.7	171.4	69.5	-175.3	147.4	0	0	110.8	T405 Q406 I424 K482 Y668	T405-E422 WeakPolarHBondContact CA-OE1 3.3Å; T405-E422 HydrophobicContact CG2-CG 4.1Å; Q406-E422 HydrophobicContact CB-CB 4.36Å; Q406-E422 HydrophobicContact CB-CG 4.15Å; Q406-E422 WeakPolarHBondContact CG-OE1 3.47Å; Q406-E422 PolarHBondContact N-OE1 3Å; Q406-E422 PolarHBondContact NE2-OE2 2.86Å; Q406-E422 PolarHBondContact O-N 3.37Å; E422-I424 HydrophobicContact CG-CD1 4.38Å; E422-I424 HydrophobicContact CG-CG1 4.11Å; E422-K482 WeakPolarHBondContact OE1-CE 3.3Å; E422-K482 IonicContact OE1-NZ 3.33Å; E422-K482 PolarHBondContact OE1-NZ 2.87Å; E422-K482 IonicContact OE2-NZ 2.66Å; E422-K482 PolarHBondContact OE2-NZ 3.05Å; E422-Y668 HydrophobicContact CB-CE2 4.23Å; E422-Y668 WeakPolarHBondContact CB-OH 3.5Å
423	Y	90.2	Very high	87.5	Confident	27 Å²	27	20.4 Å²	20.4	11%	0.106	10%	0.099	C	C	.	.			trans	-85.7	119.4	176	174.9	-125.2	0	0	0	110.8	L349 L359 L368 N425 D627 T628 F631	L349-Y423 HydrophobicContact CD1-CD2 3.96Å; L349-Y423 HydrophobicContact CD1-CE2 3.81Å; L349-Y423 HydrophobicContact CD2-CE2 4.16Å; L359-Y423 HydrophobicContact CD1-CD1 3.82Å; L359-Y423 HydrophobicContact CD1-CD2 3.57Å; L359-Y423 HydrophobicContact CD1-CE1 3.98Å; L359-Y423 HydrophobicContact CD1-CE2 3.77Å; L359-Y423 HydrophobicContact CD1-CG 3.6Å; L368-Y423 HydrophobicContact CB-CD1 3.93Å; L368-Y423 HydrophobicContact CB-CG 4.35Å; L368-Y423 HydrophobicContact CD1-CD1 4.11Å; L368-Y423 HydrophobicContact CD1-CE1 4.32Å; Y423-N425 HydrophobicContact CD1-CB 4.38Å; Y423-N425 HydrophobicContact CE1-CB 3.66Å; Y423-D627 PolarHBondContact OH-O 3.37Å; Y423-T628 WeakPolarHBondContact OH-CG2 3.46Å; Y423-F631 AromaticContact CE2-CE2 3.83Å; Y423-F631 HydrophobicContact CE2-CE2 3.83Å; Y423-F631 AromaticContact CE2-CZ 3.76Å; Y423-F631 HydrophobicContact CE2-CZ 3.76Å; Y423-F631 AromaticContact CZ-CE2 3.97Å; Y423-F631 VanDerWaalsContact OH-CE2 3.3Å; Y423-F631 WeakPolarHBondContact OH-CE2 3.12Å
424	I	88.4	Confident	87.1	Confident	12 Å²	12	22.9 Å²	22.9	6%	0.062	11%	0.107	C	C	.	.			trans	-107.5	116.1	-178.8	-57.9	160.1	0	0	0	108.6	T405 E422 M474 L475 K482 F631	T405-I424 HydrophobicContact CG2-CD1 4.15Å; E422-I424 HydrophobicContact CG-CD1 4.38Å; E422-I424 HydrophobicContact CG-CG1 4.11Å; I424-M474 HydrophobicContact CB-SD 4.28Å; I424-M474 HydrophobicContact CD1-SD 4.25Å; I424-M474 HydrophobicContact CG2-CB 3.71Å; I424-M474 HydrophobicContact CG2-SD 4.37Å; I424-L475 WeakPolarHBondContact CG2-O 3.28Å; I424-K482 HydrophobicContact CD1-CB 3.49Å; I424-K482 VanDerWaalsContact CD1-CB 3.49Å; I424-K482 HydrophobicContact CD1-CD 4.47Å; I424-K482 HydrophobicContact CD1-CG 3.84Å; I424-K482 HydrophobicContact CG1-CB 4.26Å; I424-K482 HydrophobicContact CG1-CG 4.13Å; I424-K482 HydrophobicContact CG2-CB 4.39Å; I424-K482 HydrophobicContact CG2-CG 4.39Å; I424-F631 WeakPolarHBondContact O-CZ 3.45Å
425	N	81.3	Confident	86.9	Confident	16 Å²	16	22.9 Å²	22.9	9%	0.086	11%	0.106	C	C	.	.			trans	-110.6	1.3	-168.4	70.3	-13.6	0	0	0	115.7	Y423 G427 C477 N630	Y423-N425 HydrophobicContact CD1-CB 4.38Å; Y423-N425 HydrophobicContact CE1-CB 3.66Å; N425-G427 PolarHBondContact O-N 3.31Å; N425-C477 WeakPolarHBondContact OD1-CB 3.37Å; N425-N630 PolarHBondContact O-ND2 2.86Å
426	G	76.6	Confident	86.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-78.9	-3.4	179.6	0	0	0	0	0	114.8	Q432 L475	G426-Q432 PolarHBondContact O-NE2 3Å; G426-L475 WeakPolarHBondContact CA-O 3.46Å; G426-L475 PolarHBondContact N-O 3.18Å
427	G	82.7	Confident	86.8	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.			trans	78.7	170.5	-174.9	0	0	0	0	0	112.6	N425 M474 L475	N425-G427 PolarHBondContact O-N 3.31Å; G427-M474 CarbonylContact O-C 3.49Å; G427-M474 WeakPolarHBondContact O-CA 3.49Å; G427-L475 PolarHBondContact O-N 3.43Å
428	D	87	Confident	86.7	Confident	40 Å²	40	30.3 Å²	30.3	21%	0.214	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-79.5	158.3	174.5	56.6	78.6	0	0	0	112.6	M430 Y431 Q432	D428-M430 PolarHBondContact O-N 3.11Å; D428-M430 WeakPolarHBondContact OD1-CA 3.28Å; D428-M430 VanDerWaalsContact OD1-CB 3.24Å; D428-M430 WeakPolarHBondContact OD1-CB 3.17Å; D428-M430 PolarHBondContact OD1-N 3.47Å; D428-Y431 PolarHBondContact O-N 2.88Å; D428-Y431 WeakPolarHBondContact OD1-CB 3.5Å; D428-Y431 PolarHBondContact OD1-N 3.34Å; D428-Q432 WeakPolarHBondContact O-CG 3.3Å; D428-Q432 PolarHBondContact O-N 3.2Å
429	L	88	Confident	86.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-28.7	177.8	-81.1	-179.5	0	0	0	112	Q432 I433 F439 Y447 I451 L470 V473 L475 I481 M535	L429-Q432 PolarHBondContact O-N 3.16Å; L429-I433 WeakPolarHBondContact O-CG1 3.36Å; L429-I433 PolarHBondContact O-N 3.38Å; L429-F439 HydrophobicContact CD2-CE2 3.93Å; L429-F439 HydrophobicContact CD2-CZ 4.09Å; L429-Y447 HydrophobicContact CD2-CD2 4.08Å; L429-Y447 HydrophobicContact CD2-CE2 4.18Å; L429-Y447 HydrophobicContact CD2-CG 4.42Å; L429-I451 HydrophobicContact CD1-CD1 4.34Å; L429-L470 HydrophobicContact CB-CD2 3.91Å; L429-L470 HydrophobicContact CD1-CD2 4.35Å; L429-L470 PolarHBondContact N-O 2.87Å; L429-V473 HydrophobicContact CD1-CB 3.83Å; L429-V473 HydrophobicContact CD1-CG1 3.39Å; L429-V473 HydrophobicContact CG-CB 4.32Å; L429-V473 HydrophobicContact CG-CG1 4.01Å; L429-V473 PolarHBondContact N-O 3.34Å; L429-L475 HydrophobicContact CD2-CD2 4.15Å; L429-L475 HydrophobicContact CD2-CG 4.31Å; L429-I481 HydrophobicContact CD1-CD1 3.73Å; L429-I481 HydrophobicContact CD2-CD1 4.18Å; L429-I481 HydrophobicContact CG-CD1 4.1Å; L429-M535 HydrophobicContact CD1-SD 4.47Å
430	M	85.5	Confident	86.6	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-50.3	176.5	175.5	64.3	79.5	0	0	110.1	L127 I128 D428 Q432 I433 Q434 L470	L127-M430 HydrophobicContact CB-CE 3.78Å; L127-M430 HydrophobicContact CD1-CE 4.24Å; L127-M430 HydrophobicContact CD2-CE 4.43Å; L127-M430 HydrophobicContact CG-CE 4.37Å; I128-M430 HydrophobicContact CD1-SD 4.1Å; I128-M430 HydrophobicContact CG1-SD 4.11Å; D428-M430 PolarHBondContact O-N 3.11Å; D428-M430 WeakPolarHBondContact OD1-CA 3.28Å; D428-M430 VanDerWaalsContact OD1-CB 3.24Å; D428-M430 WeakPolarHBondContact OD1-CB 3.17Å; D428-M430 PolarHBondContact OD1-N 3.47Å; M430-Q432 VanDerWaalsContact C-N 3.31Å; M430-Q432 PolarHBondContact O-N 3.3Å; M430-I433 PolarHBondContact O-N 3.14Å; M430-Q434 VanDerWaalsContact O-CG 3.3Å; M430-Q434 WeakPolarHBondContact O-CG 3.46Å; M430-Q434 PolarHBondContact O-N 3.3Å; M430-Q434 HydrophobicContact SD-CG 4.44Å; M430-L470 HydrophobicContact CB-CB 3.83Å; M430-L470 HydrophobicContact CE-CB 4.02Å; M430-L470 HydrophobicContact CE-CD1 3.95Å; M430-L470 HydrophobicContact SD-CD1 4.19Å
431	Y	81.9	Confident	86.7	Confident	74 Å²	74	41.4 Å²	41.4	29%	0.29	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-40.2	175.7	177.1	-112.8	0	0	0	112.7	D428 Q434 Q435 N630	D428-Y431 PolarHBondContact O-N 2.88Å; D428-Y431 WeakPolarHBondContact OD1-CB 3.5Å; D428-Y431 PolarHBondContact OD1-N 3.34Å; Y431-Q434 PolarHBondContact O-N 3.16Å; Y431-Q435 HydrophobicContact CE2-CG 4.46Å; Y431-Q435 PolarHBondContact O-N 2.87Å; Y431-N630 HydrophobicContact CE1-CB 4.4Å
432	Q	83.4	Confident	86.8	Confident	15 Å²	15	44.8 Å²	44.8	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-40.3	178.7	-61	-60.4	-19.2	0	0	112.2	G426 D428 L429 M430 Q435 A436 F439 L475	G426-Q432 PolarHBondContact O-NE2 3Å; D428-Q432 WeakPolarHBondContact O-CG 3.3Å; D428-Q432 PolarHBondContact O-N 3.2Å; L429-Q432 PolarHBondContact O-N 3.16Å; M430-Q432 VanDerWaalsContact C-N 3.31Å; M430-Q432 PolarHBondContact O-N 3.3Å; Q432-Q435 PolarHBondContact O-N 3.47Å; Q432-A436 WeakPolarHBondContact O-CB 3.39Å; Q432-A436 PolarHBondContact O-N 2.9Å; Q432-F439 HydrophobicContact CB-CE1 4.2Å; Q432-F439 HydrophobicContact CB-CZ 3.85Å; Q432-L475 HydrophobicContact CG-CD1 3.87Å
433	I	84.7	Confident	87	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-41.5	174.5	-72.3	178.1	0	0	0	110.8	L429 M430 Q435 A436 G437 F439 L470 M535	L429-I433 WeakPolarHBondContact O-CG1 3.36Å; L429-I433 PolarHBondContact O-N 3.38Å; M430-I433 PolarHBondContact O-N 3.14Å; I433-Q435 PolarHBondContact O-N 3.43Å; I433-A436 PolarHBondContact O-N 3.49Å; I433-A436 VanDerWaalsContact O-N 3.16Å; I433-G437 CarbonylContact O-C 3.49Å; I433-G437 VanDerWaalsContact O-CA 3.3Å; I433-G437 WeakPolarHBondContact O-CA 3.13Å; I433-G437 PolarHBondContact O-N 3Å; I433-F439 HydrophobicContact CB-CZ 4.43Å; I433-F439 HydrophobicContact CD1-CD2 4.16Å; I433-F439 HydrophobicContact CD1-CE2 3.73Å; I433-F439 HydrophobicContact CD1-CZ 4.3Å; I433-F439 HydrophobicContact CG1-CD2 3.86Å; I433-F439 HydrophobicContact CG1-CE1 4Å; I433-F439 HydrophobicContact CG1-CE2 3.26Å; I433-F439 HydrophobicContact CG1-CG 4.44Å; I433-F439 HydrophobicContact CG1-CZ 3.35Å; I433-L470 HydrophobicContact CD1-CD1 3.65Å; I433-L470 HydrophobicContact CD1-CD2 3.51Å; I433-L470 HydrophobicContact CD1-CG 4.23Å; I433-M535 HydrophobicContact CD1-CG 3.95Å
434	Q	78.5	Confident	87.3	Confident	93 Å²	93	45.4 Å²	45.4	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-35.4	177.5	-74.1	176.1	7.6	0	0	112.5	M430 Y431	M430-Q434 VanDerWaalsContact O-CG 3.3Å; M430-Q434 WeakPolarHBondContact O-CG 3.46Å; M430-Q434 PolarHBondContact O-N 3.3Å; M430-Q434 HydrophobicContact SD-CG 4.44Å; Y431-Q434 PolarHBondContact O-N 3.16Å
435	Q	79.3	Confident	87.8	Confident	117 Å²	117	45.8 Å²	45.8	55%	0.547	24%	0.241	S	C	.	.	H	α-helix	trans	-75.6	-39.5	175.3	-71.4	-178.5	85.7	0	0	113	Y431 Q432 I433	Y431-Q435 HydrophobicContact CE2-CG 4.46Å; Y431-Q435 PolarHBondContact O-N 2.87Å; Q432-Q435 PolarHBondContact O-N 3.47Å; I433-Q435 PolarHBondContact O-N 3.43Å
436	A	82.9	Confident	88.6	Confident	62 Å²	62	45.5 Å²	45.5	51%	0.512	24%	0.239	S	C	.	.	H	α-helix	trans	-84.4	-17.9	-176.8	0	0	0	0	0	113.7	Q432 I433 K438 F439	Q432-A436 WeakPolarHBondContact O-CB 3.39Å; Q432-A436 PolarHBondContact O-N 2.9Å; I433-A436 PolarHBondContact O-N 3.49Å; I433-A436 VanDerWaalsContact O-N 3.16Å; A436-K438 PolarHBondContact O-N 2.91Å; A436-F439 HydrophobicContact CB-CD1 4.23Å; A436-F439 HydrophobicContact CB-CE1 4.22Å
437	G	87.8	Confident	89.6	Confident	44 Å²	44	45.6 Å²	45.6	45%	0.454	24%	0.239	S	C	.	.	S	Bend	trans	73.8	-50.3	-166.3	0	0	0	0	0	112.9	I433 G538	I433-G437 CarbonylContact O-C 3.49Å; I433-G437 VanDerWaalsContact O-CA 3.3Å; I433-G437 WeakPolarHBondContact O-CA 3.13Å; I433-G437 PolarHBondContact O-N 3Å; G437-G538 VanDerWaalsContact O-CA 3.24Å; G437-G538 WeakPolarHBondContact O-CA 3.07Å
438	K	91.4	Very high	90.4	Very high	91 Å²	91	45.6 Å²	45.6	40%	0.396	24%	0.239	S	C	.	.	S	Bend	trans	-155.9	158.4	170.8	65.9	-177.6	-179	180	0	110.8	A436 S564	A436-K438 PolarHBondContact O-N 2.91Å; K438-S564 PolarHBondContact NZ-OG 3.34Å
439	F	93.7	Very high	90.9	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.079	23%	0.229	C	C	.	.			trans	-84.2	148.9	174.1	-64.5	-37.9	0	0	0	112.3	L429 Q432 I433 A436 H443 A444 Y447 M535	L429-F439 HydrophobicContact CD2-CE2 3.93Å; L429-F439 HydrophobicContact CD2-CZ 4.09Å; Q432-F439 HydrophobicContact CB-CE1 4.2Å; Q432-F439 HydrophobicContact CB-CZ 3.85Å; I433-F439 HydrophobicContact CB-CZ 4.43Å; I433-F439 HydrophobicContact CD1-CD2 4.16Å; I433-F439 HydrophobicContact CD1-CE2 3.73Å; I433-F439 HydrophobicContact CD1-CZ 4.3Å; I433-F439 HydrophobicContact CG1-CD2 3.86Å; I433-F439 HydrophobicContact CG1-CE1 4Å; I433-F439 HydrophobicContact CG1-CE2 3.26Å; I433-F439 HydrophobicContact CG1-CG 4.44Å; I433-F439 HydrophobicContact CG1-CZ 3.35Å; A436-F439 HydrophobicContact CB-CD1 4.23Å; A436-F439 HydrophobicContact CB-CE1 4.22Å; F439-H443 HydrophobicContact CB-CB 4.14Å; F439-A444 HydrophobicContact CB-CB 4.5Å; F439-Y447 HydrophobicContact CD2-CD2 4.2Å; F439-Y447 HydrophobicContact CD2-CE2 4.31Å; F439-Y447 HydrophobicContact CE2-CD2 4.1Å; F439-Y447 HydrophobicContact CE2-CE2 4.08Å; F439-Y447 HydrophobicContact CZ-CE2 4.28Å; F439-M535 WeakPolarHBondContact CB-O 3.3Å; F439-M535 HydrophobicContact CD2-CB 3.92Å; F439-M535 HydrophobicContact CD2-CG 3.79Å; F439-M535 HydrophobicContact CD2-SD 3.99Å; F439-M535 HydrophobicContact CE2-CG 4.13Å; F439-M535 HydrophobicContact CE2-SD 4.23Å; F439-M535 PolarHBondContact N-O 3.49Å
440	K	95.3	Very high	91.4	Very high	157 Å²	157	43.7 Å²	43.7	68%	0.683	23%	0.229	S	C	*	.			trans	-70.7	147.9	166.4	-62.7	178.6	-178	175	0	108.4	P442 H443 A444	K440-P442 VanDerWaalsContact C-CD 3.5Å; K440-P442 VanDerWaalsContact C-N 3.34Å; K440-P442 VanDerWaalsContact O-N 3.17Å; K440-H443 WeakPolarHBondContact O-CA 3.32Å; K440-H443 WeakPolarHBondContact O-CB 3.29Å; K440-H443 PolarHBondContact O-N 2.86Å; K440-A444 PolarHBondContact O-N 3.44Å; K440-A444 VanDerWaalsContact O-N 3.14Å
441	E	96.6	Very high	92	Very high	59 Å²	59	43.4 Å²	43.4	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-49.4	-44.8	-177.2	-175.4	171.7	125.2	0	0	114.2	H443 A444 V445 L536 S566 F600	E441-H443 PolarHBondContact O-N 2.74Å; E441-A444 PolarHBondContact O-N 2.9Å; E441-A444 VanDerWaalsContact O-N 3.13Å; E441-V445 HydrophobicContact CG-CG2 4.11Å; E441-V445 VanDerWaalsContact O-CG2 3.26Å; E441-V445 WeakPolarHBondContact O-CG2 3.2Å; E441-V445 PolarHBondContact O-N 2.8Å; E441-L536 HydrophobicContact CB-CD2 4.19Å; E441-L536 HydrophobicContact CG-CD2 4.23Å; E441-S566 PolarHBondContact OE1-OG 3.41Å; E441-S566 VanDerWaalsContact OE1-OG 3.07Å; E441-S566 WeakPolarHBondContact OE2-CB 3.04Å; E441-S566 PolarHBondContact OE2-OG 3.43Å; E441-F600 HydrophobicContact CG-CE2 4Å
442	P	96.1	Very high	92.8	Very high	93 Å²	93	39.9 Å²	39.9	60%	0.604	21%	0.214	S	C	*	.	H	α-helix	trans	-60.4	-30.6	177	-25.2	35.6	0	0	0	114.5	K440 F446	K440-P442 VanDerWaalsContact C-CD 3.5Å; K440-P442 VanDerWaalsContact C-N 3.34Å; K440-P442 VanDerWaalsContact O-N 3.17Å; P442-F446 PolarHBondContact O-N 3.24Å
443	H	95.4	Very high	93.5	Very high	52 Å²	52	39.2 Å²	39.2	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-73.7	-44.8	176.7	-60.2	51.4	0	0	0	110.1	F439 K440 E441 V445 F446 Y447 P617	F439-H443 HydrophobicContact CB-CB 4.14Å; K440-H443 WeakPolarHBondContact O-CA 3.32Å; K440-H443 WeakPolarHBondContact O-CB 3.29Å; K440-H443 PolarHBondContact O-N 2.86Å; E441-H443 PolarHBondContact O-N 2.74Å; H443-V445 PolarHBondContact O-N 2.94Å; H443-F446 PolarHBondContact O-N 3.45Å; H443-Y447 HydrophobicContact CB-CE2 4.25Å; H443-Y447 VanDerWaalsContact O-CD2 3.23Å; H443-Y447 WeakPolarHBondContact O-CD2 3.45Å; H443-Y447 PolarHBondContact O-N 3.47Å; H443-P617 HydrophobicContact CB-CB 4.31Å; H443-P617 HydrophobicContact CB-CG 4.12Å
444	A	97.2	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-40.1	177.3	0	0	0	0	0	112	F439 K440 E441 A448 L532 M535 L536	F439-A444 HydrophobicContact CB-CB 4.5Å; K440-A444 PolarHBondContact O-N 3.44Å; K440-A444 VanDerWaalsContact O-N 3.14Å; E441-A444 PolarHBondContact O-N 2.9Å; E441-A444 VanDerWaalsContact O-N 3.13Å; A444-A448 WeakPolarHBondContact O-CB 3.3Å; A444-A448 PolarHBondContact O-N 2.91Å; A444-L532 HydrophobicContact CB-CD1 4.39Å; A444-M535 HydrophobicContact CB-CB 3.99Å; A444-M535 HydrophobicContact CB-CE 4.35Å; A444-L536 HydrophobicContact CB-CD2 3.61Å; A444-L536 HydrophobicContact CB-CG 3.97Å
445	V	98.2	Very high	95.1	Very high	20 Å²	20	34.6 Å²	34.6	12%	0.121	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-46.3	174.7	172.2	0	0	0	0	110.8	E441 H443 A449 F600 F601 M604	E441-V445 HydrophobicContact CG-CG2 4.11Å; E441-V445 VanDerWaalsContact O-CG2 3.26Å; E441-V445 WeakPolarHBondContact O-CG2 3.2Å; E441-V445 PolarHBondContact O-N 2.8Å; H443-V445 PolarHBondContact O-N 2.94Å; V445-A449 WeakPolarHBondContact O-CB 3.18Å; V445-A449 PolarHBondContact O-N 3.02Å; V445-F600 HydrophobicContact CB-CE1 4.2Å; V445-F600 HydrophobicContact CB-CZ 4.29Å; V445-F600 HydrophobicContact CG2-CD1 4.08Å; V445-F600 HydrophobicContact CG2-CD2 4.18Å; V445-F600 HydrophobicContact CG2-CE1 3.56Å; V445-F600 HydrophobicContact CG2-CE2 3.67Å; V445-F600 HydrophobicContact CG2-CG 4.37Å; V445-F600 HydrophobicContact CG2-CZ 3.33Å; V445-F601 HydrophobicContact CG1-CD1 3.93Å; V445-F601 HydrophobicContact CG1-CE1 4.42Å; V445-M604 HydrophobicContact CG1-CE 4.21Å
446	F	98.1	Very high	96	Very high	9 Å²	9	29.5 Å²	29.5	4%	0.039	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-55.3	179.2	-179.8	-88.2	0	0	0	111.6	P442 H443 A448 A449 E450 H480 M604 L609 V614 P616 P617	P442-F446 PolarHBondContact O-N 3.24Å; H443-F446 PolarHBondContact O-N 3.45Å; F446-A448 PolarHBondContact O-N 3.31Å; F446-A449 PolarHBondContact O-N 3.32Å; F446-E450 VanDerWaalsContact CE1-CD 3.42Å; F446-E450 HydrophobicContact CE1-CG 4.29Å; F446-E450 WeakPolarHBondContact CE1-OE1 3.35Å; F446-E450 WeakPolarHBondContact CE1-OE2 3.31Å; F446-E450 HydrophobicContact CZ-CG 4.48Å; F446-E450 WeakPolarHBondContact CZ-OE1 3.19Å; F446-E450 PolarHBondContact O-N 2.92Å; F446-H480 AromaticContact CZ-ND1 3.76Å; F446-M604 HydrophobicContact CD2-CE 4.43Å; F446-L609 HydrophobicContact CD2-CD1 4.06Å; F446-L609 HydrophobicContact CE2-CD1 3.58Å; F446-L609 HydrophobicContact CZ-CD1 4.09Å; F446-V614 HydrophobicContact CD2-CG1 4.05Å; F446-V614 HydrophobicContact CE2-CB 4.11Å; F446-V614 HydrophobicContact CE2-CG1 3.75Å; F446-P616 HydrophobicContact CE1-CB 4.13Å; F446-P616 HydrophobicContact CE1-CG 4.4Å; F446-P616 HydrophobicContact CZ-CB 4.08Å; F446-P616 HydrophobicContact CZ-CG 4.01Å; F446-P617 HydrophobicContact CB-CG 4.15Å; F446-P617 HydrophobicContact CD1-CG 3.93Å; F446-P617 HydrophobicContact CG-CG 4.09Å
447	Y	98.1	Very high	96.7	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-40	-179.2	-60.1	-40.6	0	0	0	112.5	L429 F439 H443 A449 E450 I451 L475 I481 M535 P617 F618	L429-Y447 HydrophobicContact CD2-CD2 4.08Å; L429-Y447 HydrophobicContact CD2-CE2 4.18Å; L429-Y447 HydrophobicContact CD2-CG 4.42Å; F439-Y447 HydrophobicContact CD2-CD2 4.2Å; F439-Y447 HydrophobicContact CD2-CE2 4.31Å; F439-Y447 HydrophobicContact CE2-CD2 4.1Å; F439-Y447 HydrophobicContact CE2-CE2 4.08Å; F439-Y447 HydrophobicContact CZ-CE2 4.28Å; H443-Y447 HydrophobicContact CB-CE2 4.25Å; H443-Y447 VanDerWaalsContact O-CD2 3.23Å; H443-Y447 WeakPolarHBondContact O-CD2 3.45Å; H443-Y447 PolarHBondContact O-N 3.47Å; Y447-A449 VanDerWaalsContact C-N 3.29Å; Y447-A449 PolarHBondContact O-N 3.2Å; Y447-E450 PolarHBondContact O-N 2.74Å; Y447-I451 WeakPolarHBondContact O-CB 3.36Å; Y447-I451 WeakPolarHBondContact O-CD1 3.27Å; Y447-I451 WeakPolarHBondContact O-CG1 3.36Å; Y447-I451 PolarHBondContact O-N 3.37Å; Y447-L475 HydrophobicContact CD1-CD2 4.25Å; Y447-L475 HydrophobicContact CE1-CD2 3.75Å; Y447-I481 HydrophobicContact CD1-CD1 3.72Å; Y447-I481 HydrophobicContact CD1-CG1 3.77Å; Y447-I481 HydrophobicContact CG-CD1 3.99Å; Y447-I481 HydrophobicContact CG-CG1 4.31Å; Y447-M535 HydrophobicContact CD2-SD 4.31Å; Y447-P617 HydrophobicContact CE1-CG 4.12Å; Y447-F618 WeakPolarHBondContact OH-CB 3.36Å
448	A	98.4	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.5	-37	177	0	0	0	0	0	112.2	A444 F446 A452 F528 L532 M535 F601	A444-A448 WeakPolarHBondContact O-CB 3.3Å; A444-A448 PolarHBondContact O-N 2.91Å; F446-A448 PolarHBondContact O-N 3.31Å; A448-A452 VanDerWaalsContact O-CB 3.26Å; A448-A452 WeakPolarHBondContact O-CB 3.48Å; A448-A452 PolarHBondContact O-N 2.89Å; A448-F528 HydrophobicContact CB-CE2 4.17Å; A448-F528 HydrophobicContact CB-CZ 3.84Å; A448-F528 VanDerWaalsContact O-CE2 3.26Å; A448-F528 WeakPolarHBondContact O-CE2 3.46Å; A448-F528 VanDerWaalsContact O-CZ 3.26Å; A448-F528 WeakPolarHBondContact O-CZ 3.35Å; A448-L532 HydrophobicContact CB-CD1 3.88Å; A448-M535 HydrophobicContact CB-CE 4.02Å; A448-F601 HydrophobicContact CB-CE1 4.03Å; A448-F601 HydrophobicContact CB-CZ 4.06Å
449	A	98.6	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.9	-44	176.9	0	0	0	0	0	111.6	V445 F446 Y447 A452 I453 F601 M604 W606 L609	V445-A449 WeakPolarHBondContact O-CB 3.18Å; V445-A449 PolarHBondContact O-N 3.02Å; F446-A449 PolarHBondContact O-N 3.32Å; Y447-A449 VanDerWaalsContact C-N 3.29Å; Y447-A449 PolarHBondContact O-N 3.2Å; A449-A452 PolarHBondContact O-N 3.35Å; A449-I453 WeakPolarHBondContact O-CG1 3.46Å; A449-I453 PolarHBondContact O-N 3.42Å; A449-F601 HydrophobicContact CB-CD1 4.07Å; A449-F601 HydrophobicContact CB-CE1 3.9Å; A449-M604 HydrophobicContact CB-CE 4.03Å; A449-M604 HydrophobicContact CB-CG 3.97Å; A449-M604 HydrophobicContact CB-SD 4.44Å; A449-W606 HydrophobicContact CB-CE3 4.45Å; A449-W606 HydrophobicContact CB-CH2 3.86Å; A449-W606 HydrophobicContact CB-CZ3 3.8Å; A449-W606 WeakPolarHBondContact O-CZ3 3.47Å; A449-L609 HydrophobicContact CB-CD2 3.35Å
450	E	98.4	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-41.8	177	-64.9	-170	150	0	0	112.4	F403 F446 Y447 A452 I453 G454 H480 I481 L609	F403-E450 HydrophobicContact CD1-CB 3.79Å; F403-E450 HydrophobicContact CD1-CG 3.93Å; F403-E450 HydrophobicContact CD2-CB 4.13Å; F403-E450 HydrophobicContact CE1-CB 3.96Å; F403-E450 HydrophobicContact CE1-CG 3.57Å; F403-E450 WeakPolarHBondContact CE1-OE1 3.49Å; F403-E450 HydrophobicContact CE2-CB 4.27Å; F403-E450 HydrophobicContact CE2-CG 4.21Å; F403-E450 HydrophobicContact CG-CB 3.88Å; F403-E450 HydrophobicContact CG-CG 4.4Å; F403-E450 HydrophobicContact CZ-CB 4.17Å; F403-E450 HydrophobicContact CZ-CG 3.7Å; F446-E450 VanDerWaalsContact CE1-CD 3.42Å; F446-E450 HydrophobicContact CE1-CG 4.29Å; F446-E450 WeakPolarHBondContact CE1-OE1 3.35Å; F446-E450 WeakPolarHBondContact CE1-OE2 3.31Å; F446-E450 HydrophobicContact CZ-CG 4.48Å; F446-E450 WeakPolarHBondContact CZ-OE1 3.19Å; F446-E450 PolarHBondContact O-N 2.92Å; Y447-E450 PolarHBondContact O-N 2.74Å; E450-A452 VanDerWaalsContact C-N 3.34Å; E450-A452 PolarHBondContact O-N 3.12Å; E450-I453 PolarHBondContact O-N 2.77Å; E450-G454 PolarHBondContact O-N 2.95Å; E450-H480 IonicContact OE1-CE1 4Å; E450-H480 IonicContact OE1-CG 3.46Å; E450-H480 IonicContact OE1-ND1 2.78Å; E450-H480 PolarHBondContact OE1-ND1 2.57Å; E450-I481 HydrophobicContact CB-CB 3.84Å; E450-I481 HydrophobicContact CB-CG1 3.94Å; E450-I481 VanDerWaalsContact OE2-CB 3.31Å; E450-I481 WeakPolarHBondContact OE2-CB 3.09Å; E450-I481 WeakPolarHBondContact OE2-CG1 3.36Å; E450-I481 PolarHBondContact OE2-N 2.86Å; E450-L609 HydrophobicContact CG-CD1 3.82Å; E450-L609 HydrophobicContact CG-CD2 3.88Å; E450-L609 HydrophobicContact CG-CG 3.98Å
451	I	98.6	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-45.2	174	-65.6	164.2	0	0	0	110.3	L429 Y447 I453 G454 L455 L468 V473 I481 I483 F528 L531	L429-I451 HydrophobicContact CD1-CD1 4.34Å; Y447-I451 WeakPolarHBondContact O-CB 3.36Å; Y447-I451 WeakPolarHBondContact O-CD1 3.27Å; Y447-I451 WeakPolarHBondContact O-CG1 3.36Å; Y447-I451 PolarHBondContact O-N 3.37Å; I451-I453 VanDerWaalsContact C-N 3.35Å; I451-I453 PolarHBondContact O-N 2.77Å; I451-G454 PolarHBondContact O-N 3.14Å; I451-G454 VanDerWaalsContact O-N 3.16Å; I451-L455 HydrophobicContact CG2-CD1 4.27Å; I451-L455 PolarHBondContact O-N 3.04Å; I451-L468 HydrophobicContact CG2-CD1 3.98Å; I451-L468 HydrophobicContact CG2-CD2 4.17Å; I451-V473 HydrophobicContact CD1-CG1 3.95Å; I451-V473 HydrophobicContact CD1-CG2 4.45Å; I451-V473 HydrophobicContact CG1-CG1 4Å; I451-I481 HydrophobicContact CG1-CD1 4.44Å; I451-I481 HydrophobicContact CG1-CG1 4.38Å; I451-I481 HydrophobicContact CG1-CG2 3.82Å; I451-I483 HydrophobicContact CG2-CD1 4.19Å; I451-F528 HydrophobicContact CB-CD2 4.49Å; I451-F528 HydrophobicContact CB-CE2 4.05Å; I451-F528 HydrophobicContact CG2-CD2 3.78Å; I451-F528 HydrophobicContact CG2-CE2 3.84Å; I451-L531 HydrophobicContact CD1-CD1 4.44Å; I451-L531 HydrophobicContact CD1-CD2 3.83Å
452	A	98.6	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-39.9	179.9	0	0	0	0	0	112.2	A448 A449 E450 G454 L455 F456 W525 F528 W606	A448-A452 VanDerWaalsContact O-CB 3.26Å; A448-A452 WeakPolarHBondContact O-CB 3.48Å; A448-A452 PolarHBondContact O-N 2.89Å; A449-A452 PolarHBondContact O-N 3.35Å; E450-A452 VanDerWaalsContact C-N 3.34Å; E450-A452 PolarHBondContact O-N 3.12Å; A452-G454 VanDerWaalsContact C-N 3.32Å; A452-G454 PolarHBondContact O-N 3.14Å; A452-L455 PolarHBondContact O-N 3.11Å; A452-L455 VanDerWaalsContact O-N 3.16Å; A452-F456 HydrophobicContact CB-CE2 3.94Å; A452-F456 HydrophobicContact CB-CZ 4.14Å; A452-F456 WeakPolarHBondContact O-CD2 3.41Å; A452-F456 WeakPolarHBondContact O-CG 3.35Å; A452-F456 PolarHBondContact O-N 2.91Å; A452-W525 HydrophobicContact CB-CZ3 4.45Å; A452-F528 HydrophobicContact CB-CE2 4.2Å; A452-F528 HydrophobicContact CB-CZ 3.95Å; A452-W606 HydrophobicContact CB-CH2 4.29Å; A452-W606 HydrophobicContact CB-CZ3 4.23Å
453	I	98.6	Very high	97.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-58.1	-45.1	173.8	-69.2	167.2	0	0	0	110.8	P401 F403 A449 E450 I451 L455 F456 Y457 W606 L609 E610	P401-I453 HydrophobicContact CB-CG2 3.77Å; P401-I453 HydrophobicContact CG-CG2 4.19Å; F403-I453 HydrophobicContact CD2-CB 3.91Å; F403-I453 HydrophobicContact CD2-CD1 4.35Å; F403-I453 HydrophobicContact CD2-CG2 3.77Å; F403-I453 HydrophobicContact CE2-CB 4.09Å; F403-I453 HydrophobicContact CE2-CD1 3.67Å; F403-I453 HydrophobicContact CE2-CG1 4.49Å; F403-I453 HydrophobicContact CE2-CG2 3.93Å; A449-I453 WeakPolarHBondContact O-CG1 3.46Å; A449-I453 PolarHBondContact O-N 3.42Å; E450-I453 PolarHBondContact O-N 2.77Å; I451-I453 VanDerWaalsContact C-N 3.35Å; I451-I453 PolarHBondContact O-N 2.77Å; I453-L455 VanDerWaalsContact C-N 3.34Å; I453-L455 PolarHBondContact O-N 3.32Å; I453-F456 PolarHBondContact O-N 3.43Å; I453-Y457 PolarHBondContact O-N 3.09Å; I453-Y457 VanDerWaalsContact O-N 3.1Å; I453-W606 HydrophobicContact CD1-CE3 4.02Å; I453-W606 HydrophobicContact CD1-CZ3 4.44Å; I453-W606 HydrophobicContact CG1-CE3 3.83Å; I453-W606 HydrophobicContact CG1-CZ3 4Å; I453-L609 HydrophobicContact CD1-CB 4.31Å; I453-L609 HydrophobicContact CD1-CD2 3.77Å; I453-L609 HydrophobicContact CD1-CG 4.07Å; I453-E610 HydrophobicContact CD1-CB 4.27Å; I453-E610 HydrophobicContact CG2-CG 4.32Å
454	G	98.1	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.3	-43.8	174.8	0	0	0	0	0	112.9	E450 I451 A452 L458	E450-G454 PolarHBondContact O-N 2.95Å; I451-G454 PolarHBondContact O-N 3.14Å; I451-G454 VanDerWaalsContact O-N 3.16Å; A452-G454 VanDerWaalsContact C-N 3.32Å; A452-G454 PolarHBondContact O-N 3.14Å; G454-L458 WeakPolarHBondContact O-CG 3.44Å; G454-L458 PolarHBondContact O-N 2.86Å
455	L	98.4	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.3	-42.5	177.8	-65.9	176.2	0	0	0	112.8	I451 A452 I453 Y457 L458 H459 L468 D524 W525 F528	I451-L455 HydrophobicContact CG2-CD1 4.27Å; I451-L455 PolarHBondContact O-N 3.04Å; A452-L455 PolarHBondContact O-N 3.11Å; A452-L455 VanDerWaalsContact O-N 3.16Å; I453-L455 VanDerWaalsContact C-N 3.34Å; I453-L455 PolarHBondContact O-N 3.32Å; L455-Y457 VanDerWaalsContact C-N 3.28Å; L455-Y457 PolarHBondContact O-N 3.4Å; L455-L458 PolarHBondContact O-N 3.03Å; L455-H459 WeakPolarHBondContact O-CB 3.45Å; L455-H459 PolarHBondContact O-CD2 2.98Å; L455-H459 VanDerWaalsContact O-CG 3.28Å; L455-H459 PolarHBondContact O-N 3.48Å; L455-L468 HydrophobicContact CD1-CD2 4.01Å; L455-D524 HydrophobicContact CD2-CB 4.43Å; L455-W525 HydrophobicContact CB-CH2 4Å; L455-W525 HydrophobicContact CB-CZ3 4.45Å; L455-W525 HydrophobicContact CD1-CE3 4.38Å; L455-W525 HydrophobicContact CD1-CH2 4.29Å; L455-W525 HydrophobicContact CD1-CZ3 3.91Å; L455-F528 HydrophobicContact CD1-CB 4.25Å; L455-F528 HydrophobicContact CD1-CD2 4.1Å; L455-F528 HydrophobicContact CD1-CG 4.36Å
456	F	98	Very high	97.8	Very high	10 Å²	10	16.6 Å²	16.6	4%	0.044	7%	0.074	C	C	.	.	H	α-helix	trans	-56.8	-45.9	176.3	-64.8	-39.9	0	0	0	111	A452 I453 L458 H459 Q460 W525 E592 I595 R596 W606	A452-F456 HydrophobicContact CB-CE2 3.94Å; A452-F456 HydrophobicContact CB-CZ 4.14Å; A452-F456 WeakPolarHBondContact O-CD2 3.41Å; A452-F456 WeakPolarHBondContact O-CG 3.35Å; A452-F456 PolarHBondContact O-N 2.91Å; I453-F456 PolarHBondContact O-N 3.43Å; F456-L458 PolarHBondContact O-N 2.81Å; F456-H459 PolarHBondContact O-N 2.7Å; F456-Q460 VanDerWaalsContact O-CB 3.28Å; F456-Q460 WeakPolarHBondContact O-CB 3.37Å; F456-Q460 PolarHBondContact O-N 3.33Å; F456-W525 AromaticContact CD1-CH2 3.59Å; F456-W525 HydrophobicContact CD1-CH2 3.59Å; F456-W525 AromaticContact CD1-CZ2 3.61Å; F456-W525 HydrophobicContact CD1-CZ2 3.61Å; F456-W525 AromaticContact CE1-CH2 3.19Å; F456-W525 HydrophobicContact CE1-CH2 3.19Å; F456-W525 AromaticContact CE1-CZ2 3.39Å; F456-W525 HydrophobicContact CE1-CZ2 3.39Å; F456-W525 HydrophobicContact CE1-CZ3 4.3Å; F456-W525 AromaticContact CZ-CH2 3.9Å; F456-W525 HydrophobicContact CZ-CH2 3.9Å; F456-W525 HydrophobicContact CZ-CZ2 4.46Å; F456-E592 HydrophobicContact CD1-CB 3.86Å; F456-E592 HydrophobicContact CD1-CG 3.65Å; F456-E592 HydrophobicContact CD2-CG 4.02Å; F456-E592 HydrophobicContact CE1-CB 3.8Å; F456-E592 HydrophobicContact CE1-CG 3.69Å; F456-E592 HydrophobicContact CE2-CG 4.06Å; F456-E592 HydrophobicContact CG-CG 3.85Å; F456-E592 HydrophobicContact CZ-CB 4.41Å; F456-E592 HydrophobicContact CZ-CG 3.9Å; F456-I595 HydrophobicContact CE1-CB 4.4Å; F456-I595 HydrophobicContact CE1-CD1 4.18Å; F456-I595 HydrophobicContact CZ-CB 3.95Å; F456-I595 HydrophobicContact CZ-CD1 4.45Å; F456-I595 HydrophobicContact CZ-CG2 3.79Å; F456-R596 HydrophobicContact CE2-CG 3.92Å; F456-R596 HydrophobicContact CZ-CG 4.22Å; F456-W606 HydrophobicContact CE2-CZ3 4.18Å
457	Y	97.9	Very high	97.7	Very high	21 Å²	21	16.8 Å²	16.8	8%	0.082	8%	0.076	C	C	.	.	H	α-helix	trans	-58.9	-47.9	176.2	173.9	-93.1	0	0	0	112.3	L397 T398 G399 K400 P401 L404 I453 L455 Q460 K461	L397-Y457 HydrophobicContact CB-CE1 4.48Å; L397-Y457 WeakPolarHBondContact CB-OH 3.08Å; L397-Y457 HydrophobicContact CD1-CE1 4.11Å; T398-Y457 PolarHBondContact O-OH 2.85Å; G399-Y457 WeakPolarHBondContact O-CE2 3.49Å; K400-Y457 HydrophobicContact CB-CE1 4.4Å; K400-Y457 HydrophobicContact CG-CE1 3.76Å; P401-Y457 HydrophobicContact CG-CG 4.12Å; L404-Y457 HydrophobicContact CD1-CD1 3.63Å; L404-Y457 HydrophobicContact CD1-CE1 4.1Å; I453-Y457 PolarHBondContact O-N 3.09Å; I453-Y457 VanDerWaalsContact O-N 3.1Å; L455-Y457 VanDerWaalsContact C-N 3.28Å; L455-Y457 PolarHBondContact O-N 3.4Å; Y457-Q460 PolarHBondContact O-N 3.09Å; Y457-K461 HydrophobicContact CE1-CG 4.25Å; Y457-K461 HydrophobicContact CE2-CG 4.37Å; Y457-K461 WeakPolarHBondContact O-CG 3.3Å; Y457-K461 PolarHBondContact O-N 3.37Å; Y457-K461 VanDerWaalsContact O-N 3.16Å
458	L	97.9	Very high	97.6	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-47.1	178.4	-69	173.9	0	0	0	111.4	V394 L404 G454 L455 F456 Q460 K461 G462 I463 Y465 F486	V394-L458 HydrophobicContact CG1-CD2 4.05Å; L404-L458 HydrophobicContact CD1-CD2 4.16Å; L404-L458 HydrophobicContact CD1-CG 4.24Å; G454-L458 WeakPolarHBondContact O-CG 3.44Å; G454-L458 PolarHBondContact O-N 2.86Å; L455-L458 PolarHBondContact O-N 3.03Å; F456-L458 PolarHBondContact O-N 2.81Å; L458-Q460 VanDerWaalsContact C-N 3.32Å; L458-Q460 PolarHBondContact O-N 3.31Å; L458-K461 CarbonylContact O-C 3.45Å; L458-K461 PolarHBondContact O-N 2.79Å; L458-K461 VanDerWaalsContact O-N 3.09Å; L458-G462 PolarHBondContact O-N 3.09Å; L458-I463 CarbonylContact C-O 3.45Å; L458-I463 HydrophobicContact CB-CB 4.37Å; L458-I463 HydrophobicContact CD2-CG2 4.25Å; L458-I463 WeakPolarHBondContact O-CB 3.26Å; L458-I463 PolarHBondContact O-N 3.5Å; L458-I463 VanDerWaalsContact O-O 3.12Å; L458-Y465 HydrophobicContact CD1-CD2 4.02Å; L458-Y465 HydrophobicContact CD1-CG 4.43Å; L458-F486 HydrophobicContact CD1-CE1 4.28Å
459	H	97.3	Very high	97.3	Very high	23 Å²	23	18.4 Å²	18.4	11%	0.106	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-39	179.8	-68.2	-179.6	0	0	0	111.6	L455 F456 K461 G462 I463 K521 D524 W525	L455-H459 WeakPolarHBondContact O-CB 3.45Å; L455-H459 PolarHBondContact O-CD2 2.98Å; L455-H459 VanDerWaalsContact O-CG 3.28Å; L455-H459 PolarHBondContact O-N 3.48Å; F456-H459 PolarHBondContact O-N 2.7Å; H459-K461 VanDerWaalsContact C-N 3.26Å; H459-K461 PolarHBondContact O-N 2.81Å; H459-G462 WeakPolarHBondContact O-CA 3.45Å; H459-G462 PolarHBondContact O-N 2.8Å; H459-I463 PolarHBondContact CD2-O 3.34Å; H459-I463 VanDerWaalsContact CD2-O 3.3Å; H459-I463 PolarHBondContact N-O 2.65Å; H459-K521 HydrophobicContact CB-CD 4.44Å; H459-D524 IonicContact CD2-OD2 3.62Å; H459-D524 IonicContact CE1-OD2 3.12Å; H459-D524 IonicContact NE2-OD2 3.71Å; H459-D524 PolarHBondContact NE2-OD2 3.45Å; H459-W525 AromaticContact CE1-CE2 3.77Å; H459-W525 AromaticContact CE1-CZ2 3.93Å; H459-W525 AromaticContact CE1-NE1 3.61Å; H459-W525 AromaticContact ND1-CE2 3.86Å; H459-W525 AromaticContact ND1-CZ2 3.77Å; H459-W525 AromaticContact ND1-NE1 3.62Å
460	Q	96	Very high	96.9	Very high	144 Å²	144	18.5 Å²	18.5	67%	0.673	8%	0.083	S	C	*	.	H	α-helix	trans	-61.8	-34	175.1	-172.3	-173.1	46.7	0	0	112.1	F456 Y457 L458 G462	F456-Q460 VanDerWaalsContact O-CB 3.28Å; F456-Q460 WeakPolarHBondContact O-CB 3.37Å; F456-Q460 PolarHBondContact O-N 3.33Å; Y457-Q460 PolarHBondContact O-N 3.09Å; L458-Q460 VanDerWaalsContact C-N 3.32Å; L458-Q460 PolarHBondContact O-N 3.31Å; Q460-G462 PolarHBondContact O-N 3.16Å
461	K	97.1	Very high	96.4	Very high	101 Å²	101	21.5 Å²	21.5	44%	0.439	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	3.8	173.8	-62.7	-65.8	-177.5	177.9	0	113.3	Y457 L458 H459 I463	Y457-K461 HydrophobicContact CE1-CG 4.25Å; Y457-K461 HydrophobicContact CE2-CG 4.37Å; Y457-K461 WeakPolarHBondContact O-CG 3.3Å; Y457-K461 PolarHBondContact O-N 3.37Å; Y457-K461 VanDerWaalsContact O-N 3.16Å; L458-K461 CarbonylContact O-C 3.45Å; L458-K461 PolarHBondContact O-N 2.79Å; L458-K461 VanDerWaalsContact O-N 3.09Å; H459-K461 VanDerWaalsContact C-N 3.26Å; H459-K461 PolarHBondContact O-N 2.81Å; K461-I463 HydrophobicContact CB-CD1 3.99Å
462	G	96.9	Very high	96.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	36.5	-177.1	0	0	0	0	0	112.5	L458 H459 Q460 E491 N492 M493	L458-G462 PolarHBondContact O-N 3.09Å; H459-G462 WeakPolarHBondContact O-CA 3.45Å; H459-G462 PolarHBondContact O-N 2.8Å; Q460-G462 PolarHBondContact O-N 3.16Å; G462-E491 CarbonylContact O-C 3Å; G462-N492 PolarHBondContact O-N 3.46Å; G462-M493 PolarHBondContact O-N 3.21Å
463	I	98.1	Very high	96	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	10%	0.103	C	C	.	.			trans	-121.7	132.7	179.2	-64.4	159.1	0	0	0	109	V394 L397 L458 H459 K461 C489 K490 E491	V394-I463 HydrophobicContact CG2-CD1 4.07Å; V394-I463 HydrophobicContact CG2-CG2 4.18Å; L397-I463 HydrophobicContact CD1-CD1 3.51Å; L458-I463 CarbonylContact C-O 3.45Å; L458-I463 HydrophobicContact CB-CB 4.37Å; L458-I463 HydrophobicContact CD2-CG2 4.25Å; L458-I463 WeakPolarHBondContact O-CB 3.26Å; L458-I463 PolarHBondContact O-N 3.5Å; L458-I463 VanDerWaalsContact O-O 3.12Å; H459-I463 PolarHBondContact CD2-O 3.34Å; H459-I463 VanDerWaalsContact CD2-O 3.3Å; H459-I463 PolarHBondContact N-O 2.65Å; K461-I463 HydrophobicContact CB-CD1 3.99Å; I463-C489 HydrophobicContact CG2-CB 4.04Å; I463-K490 WeakPolarHBondContact CA-O 3.2Å; I463-E491 HydrophobicContact CD1-CG 4.41Å; I463-E491 HydrophobicContact CG1-CB 4.45Å; I463-E491 HydrophobicContact CG1-CG 3.98Å
464	I	97.8	Very high	95.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-107.1	143.9	168.9	62.1	177.6	0	0	0	109.9	R466 C489 K490 M493 T499 Y519 K521 D524	I464-R466 HydrophobicContact CB-CG 4.36Å; I464-R466 HydrophobicContact CD1-CG 3.86Å; I464-R466 HydrophobicContact CG1-CG 3.81Å; I464-C489 CarbonylContact O-C 3.58Å; I464-C489 VanDerWaalsContact O-CA 3.27Å; I464-C489 WeakPolarHBondContact O-CA 3.46Å; I464-K490 HydrophobicContact CD1-CB 4.2Å; I464-K490 HydrophobicContact CG1-CB 3.79Å; I464-K490 PolarHBondContact N-O 3.06Å; I464-K490 PolarHBondContact O-N 3.49Å; I464-M493 HydrophobicContact CD1-CB 4.5Å; I464-M493 HydrophobicContact CD1-CE 3.82Å; I464-M493 HydrophobicContact CD1-CG 3.96Å; I464-M493 HydrophobicContact CD1-SD 4.46Å; I464-M493 HydrophobicContact CG1-CB 4.29Å; I464-M493 HydrophobicContact CG1-CG 3.89Å; I464-M493 HydrophobicContact CG2-CB 3.87Å; I464-M493 HydrophobicContact CG2-CG 4.41Å; I464-T499 HydrophobicContact CD1-CG2 4.1Å; I464-Y519 HydrophobicContact CD1-CD2 4.36Å; I464-Y519 HydrophobicContact CD1-CE2 4.01Å; I464-K521 HydrophobicContact CG2-CB 3.84Å; I464-D524 WeakPolarHBondContact CA-OD2 3.23Å
465	Y	97.6	Very high	95.3	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	11%	0.11	C	C	.	.			trans	-87.1	-46.3	-168.8	-174.3	-110.8	0	0	0	113.4	L458 D467 L468 I483 A484 D485 F486 M488 D524	L458-Y465 HydrophobicContact CD1-CD2 4.02Å; L458-Y465 HydrophobicContact CD1-CG 4.43Å; Y465-D467 VanDerWaalsContact CE1-O 3.26Å; Y465-D467 WeakPolarHBondContact CE1-O 3.46Å; Y465-D467 PolarHBondContact O-N 2.74Å; Y465-L468 HydrophobicContact CD1-CB 3.87Å; Y465-L468 HydrophobicContact CD1-CD1 4.4Å; Y465-L468 HydrophobicContact CE1-CB 4.1Å; Y465-L468 HydrophobicContact CE1-CD1 4.23Å; Y465-I483 HydrophobicContact CE1-CG2 4.07Å; Y465-I483 HydrophobicContact CE2-CG2 3.8Å; Y465-I483 WeakPolarHBondContact OH-CG2 3.41Å; Y465-A484 PolarHBondContact OH-O 3.5Å; Y465-D485 PolarHBondContact OH-O 2.66Å; Y465-D485 VanDerWaalsContact OH-O 3.09Å; Y465-F486 AromaticContact CD2-CD1 3.92Å; Y465-F486 HydrophobicContact CD2-CD1 3.92Å; Y465-F486 HydrophobicContact CD2-CE1 4.21Å; Y465-F486 AromaticContact CE2-CD1 3.61Å; Y465-F486 HydrophobicContact CE2-CD1 3.61Å; Y465-F486 AromaticContact CE2-CE1 3.85Å; Y465-F486 HydrophobicContact CE2-CE1 3.85Å; Y465-F486 HydrophobicContact CE2-CG 4.29Å; Y465-M488 CarbonylContact O-C 3.49Å; Y465-D524 PolarHBondContact N-OD1 3.19Å; Y465-D524 PolarHBondContact N-OD2 3.43Å
466	R	96	Very high	94.8	Very high	28 Å²	28	24.3 Å²	24.3	11%	0.106	11%	0.114	C	C	.	.			trans	64.4	-5.4	172.3	-53	-172	-65.5	168.2	2.2	118.2	I464 M488 C489 C503 G504 Y519 V523 D524	I464-R466 HydrophobicContact CB-CG 4.36Å; I464-R466 HydrophobicContact CD1-CG 3.86Å; I464-R466 HydrophobicContact CG1-CG 3.81Å; R466-M488 PolarHBondContact NE-O 3.42Å; R466-M488 PolarHBondContact NH2-O 3.33Å; R466-C489 PolarHBondContact NH2-O 2.83Å; R466-C503 PolarHBondContact NH1-SG 3.1Å; R466-C503 VanDerWaalsContact NH1-SG 3.38Å; R466-G504 WeakPolarHBondContact O-CA 3.12Å; R466-Y519 PolarHBondContact NH1-OH 3.46Å; R466-V523 HydrophobicContact CG-CG2 4.22Å; R466-D524 PolarHBondContact N-OD1 3.41Å
467	D	94.9	Very high	94	Very high	14 Å²	14	26.7 Å²	26.7	8%	0.075	13%	0.131	C	C	.	.			trans	-133.2	44	175.4	-161.7	39.6	0	0	0	112.6	Y465 K469 N472 M488 T505	Y465-D467 VanDerWaalsContact CE1-O 3.26Å; Y465-D467 WeakPolarHBondContact CE1-O 3.46Å; Y465-D467 PolarHBondContact O-N 2.74Å; D467-K469 PolarHBondContact O-N 3.32Å; D467-K469 IonicContact OD1-NZ 3.88Å; D467-K469 PolarHBondContact OD1-NZ 2.76Å; D467-K469 IonicContact OD2-NZ 3.22Å; D467-K469 PolarHBondContact OD2-NZ 2.93Å; D467-N472 PolarHBondContact O-ND2 2.95Å; D467-N472 PolarHBondContact OD2-ND2 3.41Å; D467-M488 HydrophobicContact CB-CB 3.78Å; D467-M488 HydrophobicContact CB-CG 3.9Å; D467-T505 PolarHBondContact OD1-N 3.28Å; D467-T505 PolarHBondContact OD1-OG1 2.88Å
468	L	96.9	Very high	93.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.149	C	C	.	.			trans	-74.1	117.2	174.4	-171	69.6	0	0	0	110.3	I451 L455 Y465 V473 Y508 A527 F528 L531	I451-L468 HydrophobicContact CG2-CD1 3.98Å; I451-L468 HydrophobicContact CG2-CD2 4.17Å; L455-L468 HydrophobicContact CD1-CD2 4.01Å; Y465-L468 HydrophobicContact CD1-CB 3.87Å; Y465-L468 HydrophobicContact CD1-CD1 4.4Å; Y465-L468 HydrophobicContact CE1-CB 4.1Å; Y465-L468 HydrophobicContact CE1-CD1 4.23Å; L468-V473 HydrophobicContact CD1-CG2 3.92Å; L468-Y508 WeakPolarHBondContact O-CD1 3.48Å; L468-A527 HydrophobicContact CB-CB 3.98Å; L468-F528 HydrophobicContact CD2-CB 3.86Å; L468-F528 HydrophobicContact CD2-CD2 4.18Å; L468-L531 HydrophobicContact CD1-CD1 4.11Å; L468-L531 HydrophobicContact CD2-CD1 4.28Å; L468-L531 HydrophobicContact CG-CD1 3.8Å
469	K	92.6	Very high	93	Very high	34 Å²	34	30.3 Å²	30.3	15%	0.148	15%	0.148	C	C	.	.			trans	-155.5	163.3	178.6	65.3	-162.2	-173.9	-150.2	0	110.4	D467 D471 N472 V473 T505 Y508	D467-K469 PolarHBondContact O-N 3.32Å; D467-K469 IonicContact OD1-NZ 3.88Å; D467-K469 PolarHBondContact OD1-NZ 2.76Å; D467-K469 IonicContact OD2-NZ 3.22Å; D467-K469 PolarHBondContact OD2-NZ 2.93Å; K469-D471 HydrophobicContact CG-CB 4.23Å; K469-D471 PolarHBondContact O-N 3.38Å; K469-N472 WeakPolarHBondContact CE-ND2 3.35Å; K469-N472 WeakPolarHBondContact CE-OD1 3.49Å; K469-N472 HydrophobicContact CG-CB 4Å; K469-N472 PolarHBondContact O-N 3.13Å; K469-N472 VanDerWaalsContact O-N 3.15Å; K469-V473 WeakPolarHBondContact O-CG2 3.45Å; K469-T505 HydrophobicContact CD-CG2 4.27Å; K469-T505 WeakPolarHBondContact CD-OG1 3.2Å; K469-T505 PolarHBondContact NZ-OG1 3.25Å; K469-T505 VanDerWaalsContact NZ-OG1 3.08Å; K469-Y508 HydrophobicContact CB-CD2 3.63Å; K469-Y508 HydrophobicContact CB-CE1 4.3Å; K469-Y508 HydrophobicContact CB-CE2 3.3Å; K469-Y508 HydrophobicContact CB-CG 4.22Å
470	L	89.9	Confident	92.9	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59	-33.7	-178	-70.4	170.6	0	0	0	113.6	L429 M430 I433 N472 V473 Y508 L531 E534 M535	L429-L470 HydrophobicContact CB-CD2 3.91Å; L429-L470 HydrophobicContact CD1-CD2 4.35Å; L429-L470 PolarHBondContact N-O 2.87Å; M430-L470 HydrophobicContact CB-CB 3.83Å; M430-L470 HydrophobicContact CE-CB 4.02Å; M430-L470 HydrophobicContact CE-CD1 3.95Å; M430-L470 HydrophobicContact SD-CD1 4.19Å; I433-L470 HydrophobicContact CD1-CD1 3.65Å; I433-L470 HydrophobicContact CD1-CD2 3.51Å; I433-L470 HydrophobicContact CD1-CG 4.23Å; L470-N472 VanDerWaalsContact C-N 3.32Å; L470-N472 PolarHBondContact O-N 3.44Å; L470-V473 PolarHBondContact O-N 3.39Å; L470-Y508 WeakPolarHBondContact CG-OH 3.48Å; L470-Y508 PolarHBondContact N-OH 3.11Å; L470-L531 HydrophobicContact CD2-CD2 4.19Å; L470-L531 HydrophobicContact CD2-CG 3.97Å; L470-L531 HydrophobicContact CG-CG 4.4Å; L470-E534 HydrophobicContact CD1-CB 4.25Å; L470-E534 WeakPolarHBondContact CD1-OE2 3.12Å; L470-M535 HydrophobicContact CD2-CG 4.33Å
471	D	87.1	Confident	92.9	Very high	62 Å²	62	22.7 Å²	22.7	33%	0.332	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-68.7	-29.4	179.8	-49.6	-97	0	0	0	113	K469 V473	K469-D471 HydrophobicContact CG-CB 4.23Å; K469-D471 PolarHBondContact O-N 3.38Å; D471-V473 VanDerWaalsContact C-N 3.3Å
472	N	93.1	Very high	92.9	Very high	15 Å²	15	18.2 Å²	18.2	8%	0.08	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-88.9	1.8	-179.6	-74.7	-5.3	0	0	0	112.8	D467 K469 L470 A484	D467-N472 PolarHBondContact O-ND2 2.95Å; D467-N472 PolarHBondContact OD2-ND2 3.41Å; K469-N472 WeakPolarHBondContact CE-ND2 3.35Å; K469-N472 WeakPolarHBondContact CE-OD1 3.49Å; K469-N472 HydrophobicContact CG-CB 4Å; K469-N472 PolarHBondContact O-N 3.13Å; K469-N472 VanDerWaalsContact O-N 3.15Å; L470-N472 VanDerWaalsContact C-N 3.32Å; L470-N472 PolarHBondContact O-N 3.44Å; N472-A484 WeakPolarHBondContact CB-O 3.36Å; N472-A484 PolarHBondContact O-N 2.74Å
473	V	94.9	Very high	92.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	110.9	-179.2	-175.7	0	0	0	0	108.6	L429 I451 L468 K469 L470 D471 I481 L531	L429-V473 HydrophobicContact CD1-CB 3.83Å; L429-V473 HydrophobicContact CD1-CG1 3.39Å; L429-V473 HydrophobicContact CG-CB 4.32Å; L429-V473 HydrophobicContact CG-CG1 4.01Å; L429-V473 PolarHBondContact N-O 3.34Å; I451-V473 HydrophobicContact CD1-CG1 3.95Å; I451-V473 HydrophobicContact CD1-CG2 4.45Å; I451-V473 HydrophobicContact CG1-CG1 4Å; L468-V473 HydrophobicContact CD1-CG2 3.92Å; K469-V473 WeakPolarHBondContact O-CG2 3.45Å; L470-V473 PolarHBondContact O-N 3.39Å; D471-V473 VanDerWaalsContact C-N 3.3Å; V473-I481 HydrophobicContact CG1-CD1 3.55Å; V473-I481 HydrophobicContact CG1-CG2 3.6Å; V473-L531 HydrophobicContact CG2-CD1 4.16Å
474	M	92.4	Very high	92.6	Very high	32 Å²	32	18.8 Å²	18.8	16%	0.158	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	162.9	-174.2	-52	-174.2	87.5	0	0	112.1	I424 G427 I481 K482 A484 F631	I424-M474 HydrophobicContact CB-SD 4.28Å; I424-M474 HydrophobicContact CD1-SD 4.25Å; I424-M474 HydrophobicContact CG2-CB 3.71Å; I424-M474 HydrophobicContact CG2-SD 4.37Å; G427-M474 CarbonylContact O-C 3.49Å; G427-M474 WeakPolarHBondContact O-CA 3.49Å; M474-I481 CarbonylContact O-C 3.55Å; M474-I481 WeakPolarHBondContact O-CA 3.11Å; M474-K482 HydrophobicContact CB-CB 4.45Å; M474-K482 PolarHBondContact N-O 3.16Å; M474-K482 PolarHBondContact O-N 2.92Å; M474-A484 HydrophobicContact SD-CB 4.24Å; M474-F631 HydrophobicContact CE-CE1 4.2Å; M474-F631 HydrophobicContact CE-CZ 4.42Å
475	L	90.4	Very high	92.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.5	169	-62.9	-180	0	0	0	110.6	I424 G426 G427 L429 Q432 Y447 H480 I481 F618 P620	I424-L475 WeakPolarHBondContact CG2-O 3.28Å; G426-L475 WeakPolarHBondContact CA-O 3.46Å; G426-L475 PolarHBondContact N-O 3.18Å; G427-L475 PolarHBondContact O-N 3.43Å; L429-L475 HydrophobicContact CD2-CD2 4.15Å; L429-L475 HydrophobicContact CD2-CG 4.31Å; Q432-L475 HydrophobicContact CG-CD1 3.87Å; Y447-L475 HydrophobicContact CD1-CD2 4.25Å; Y447-L475 HydrophobicContact CE1-CD2 3.75Å; L475-H480 CarbonylContact C-O 3.55Å; L475-H480 WeakPolarHBondContact CA-O 3.45Å; L475-I481 HydrophobicContact CD2-CD1 3.84Å; L475-F618 HydrophobicContact CD1-CD1 3.96Å; L475-F618 HydrophobicContact CD1-CE1 4.25Å; L475-P620 HydrophobicContact CB-CG 4.13Å; L475-P620 HydrophobicContact CD1-CG 4.27Å
476	D	87.4	Confident	91.9	Very high	15 Å²	15	22.1 Å²	22.1	8%	0.08	12%	0.116	C	C	.	.			trans	-76.7	179.9	167.2	72.5	16.8	0	0	0	112	E478 G479 H480 K482 K612	D476-E478 PolarHBondContact O-N 3.03Å; D476-E478 WeakPolarHBondContact OD1-CA 3.35Å; D476-E478 WeakPolarHBondContact OD1-CB 3.37Å; D476-E478 PolarHBondContact OD1-N 3.33Å; D476-G479 PolarHBondContact O-N 3.17Å; D476-G479 PolarHBondContact OD1-N 3.22Å; D476-H480 PolarHBondContact N-O 2.94Å; D476-H480 PolarHBondContact OD1-N 3.23Å; D476-K482 HydrophobicContact CB-CG 4.38Å; D476-K612 IonicContact OD2-NZ 3.47Å; D476-K612 PolarHBondContact OD2-NZ 3.12Å
477	C	82.5	Confident	91.6	Very high	59 Å²	59	21.4 Å²	21.4	40%	0.399	12%	0.118	S	C	.	.	S	Bend	trans	-67.3	-16.7	-178.3	63.1	0	0	0	0	113.8	N425	N425-C477 WeakPolarHBondContact OD1-CB 3.37Å
478	E	85.1	Confident	91.3	Very high	98 Å²	98	24.1 Å²	24.1	46%	0.458	13%	0.131	S	C	.	.	S	Bend	trans	-92	-23.7	177.1	-60.6	-168.4	106.9	0	0	111.6	D476 P616	D476-E478 PolarHBondContact O-N 3.03Å; D476-E478 WeakPolarHBondContact OD1-CA 3.35Å; D476-E478 WeakPolarHBondContact OD1-CB 3.37Å; D476-E478 PolarHBondContact OD1-N 3.33Å; E478-P616 WeakPolarHBondContact O-CG 3.18Å
479	G	89.6	Confident	91.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	106.4	12.7	179.8	0	0	0	0	0	114	D476 F618	D476-G479 PolarHBondContact O-N 3.17Å; D476-G479 PolarHBondContact OD1-N 3.22Å; G479-F618 WeakPolarHBondContact CA-O 3Å
480	H	94.5	Very high	91.4	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.032	14%	0.142	C	C	.	.			trans	-84.9	154.4	173.7	-64	-83	0	0	0	111.2	F403 F446 E450 L475 D476 V614 P616	F403-H480 HydrophobicContact CE1-CB 4.45Å; F446-H480 AromaticContact CZ-ND1 3.76Å; E450-H480 IonicContact OE1-CE1 4Å; E450-H480 IonicContact OE1-CG 3.46Å; E450-H480 IonicContact OE1-ND1 2.78Å; E450-H480 PolarHBondContact OE1-ND1 2.57Å; L475-H480 CarbonylContact C-O 3.55Å; L475-H480 WeakPolarHBondContact CA-O 3.45Å; D476-H480 PolarHBondContact N-O 2.94Å; D476-H480 PolarHBondContact OD1-N 3.23Å; H480-V614 PolarHBondContact CE1-O 3.05Å; H480-P616 VanDerWaalsContact CE1-CG 3.44Å; H480-P616 WeakPolarHBondContact CE1-CG 3.31Å; H480-P616 VanDerWaalsContact NE2-CG 3.34Å; H480-P616 WeakPolarHBondContact NE2-CG 3.16Å
481	I	96.9	Very high	91.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	144.1	179.3	-67.5	-71.2	0	0	0	111.7	F403 L429 Y447 E450 I451 V473 M474 L475 I483	F403-I481 VanDerWaalsContact CA-O 3.26Å; F403-I481 WeakPolarHBondContact CA-O 3.32Å; L429-I481 HydrophobicContact CD1-CD1 3.73Å; L429-I481 HydrophobicContact CD2-CD1 4.18Å; L429-I481 HydrophobicContact CG-CD1 4.1Å; Y447-I481 HydrophobicContact CD1-CD1 3.72Å; Y447-I481 HydrophobicContact CD1-CG1 3.77Å; Y447-I481 HydrophobicContact CG-CD1 3.99Å; Y447-I481 HydrophobicContact CG-CG1 4.31Å; E450-I481 HydrophobicContact CB-CB 3.84Å; E450-I481 HydrophobicContact CB-CG1 3.94Å; E450-I481 VanDerWaalsContact OE2-CB 3.31Å; E450-I481 WeakPolarHBondContact OE2-CB 3.09Å; E450-I481 WeakPolarHBondContact OE2-CG1 3.36Å; E450-I481 PolarHBondContact OE2-N 2.86Å; I451-I481 HydrophobicContact CG1-CD1 4.44Å; I451-I481 HydrophobicContact CG1-CG1 4.38Å; I451-I481 HydrophobicContact CG1-CG2 3.82Å; V473-I481 HydrophobicContact CG1-CD1 3.55Å; V473-I481 HydrophobicContact CG1-CG2 3.6Å; M474-I481 CarbonylContact O-C 3.55Å; M474-I481 WeakPolarHBondContact O-CA 3.11Å; L475-I481 HydrophobicContact CD2-CD1 3.84Å; I481-I483 HydrophobicContact CG2-CG1 4.27Å
482	K	95.9	Very high	92	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	112.2	165.3	-70.4	-70.1	-171	165.6	0	109.6	P402 F403 E422 I424 M474 D476	P402-K482 WeakPolarHBondContact O-CD 3.25Å; P402-K482 WeakPolarHBondContact O-CE 3.42Å; P402-K482 PolarHBondContact O-NZ 3.49Å; F403-K482 CarbonylContact O-C 3.6Å; F403-K482 WeakPolarHBondContact O-CA 3.26Å; E422-K482 WeakPolarHBondContact OE1-CE 3.3Å; E422-K482 IonicContact OE1-NZ 3.33Å; E422-K482 PolarHBondContact OE1-NZ 2.87Å; E422-K482 IonicContact OE2-NZ 2.66Å; E422-K482 PolarHBondContact OE2-NZ 3.05Å; I424-K482 HydrophobicContact CD1-CB 3.49Å; I424-K482 VanDerWaalsContact CD1-CB 3.49Å; I424-K482 HydrophobicContact CD1-CD 4.47Å; I424-K482 HydrophobicContact CD1-CG 3.84Å; I424-K482 HydrophobicContact CG1-CB 4.26Å; I424-K482 HydrophobicContact CG1-CG 4.13Å; I424-K482 HydrophobicContact CG2-CB 4.39Å; I424-K482 HydrophobicContact CG2-CG 4.39Å; M474-K482 HydrophobicContact CB-CB 4.45Å; M474-K482 PolarHBondContact N-O 3.16Å; M474-K482 PolarHBondContact O-N 2.92Å; D476-K482 HydrophobicContact CB-CG 4.38Å
483	I	97	Very high	92.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	128	170.2	-53.8	178.8	0	0	0	108.3	F403 L404 T405 I451 Y465 I481 F486	F403-I483 PolarHBondContact O-N 3.29Å; L404-I483 HydrophobicContact CD2-CB 3.83Å; L404-I483 HydrophobicContact CD2-CD1 3.9Å; L404-I483 HydrophobicContact CD2-CG1 4.19Å; T405-I483 WeakPolarHBondContact CB-O 3.43Å; T405-I483 PolarHBondContact N-O 3.48Å; T405-I483 PolarHBondContact OG1-O 3.24Å; I451-I483 HydrophobicContact CG2-CD1 4.19Å; Y465-I483 HydrophobicContact CE1-CG2 4.07Å; Y465-I483 HydrophobicContact CE2-CG2 3.8Å; Y465-I483 WeakPolarHBondContact OH-CG2 3.41Å; I481-I483 HydrophobicContact CG2-CG1 4.27Å; I483-F486 HydrophobicContact CG2-CZ 4.5Å; I483-F486 WeakPolarHBondContact O-CZ 3.46Å
484	A	91.9	Very high	92	Very high	17 Å²	17	36.8 Å²	36.8	14%	0.14	20%	0.195	C	C	.	.			trans	-128.7	159.3	-176.4	0	0	0	0	0	111.2	T405 Y465 N472 M474	T405-A484 WeakPolarHBondContact OG1-CA 3.27Å; T405-A484 WeakPolarHBondContact OG1-CB 3.38Å; Y465-A484 PolarHBondContact OH-O 3.5Å; N472-A484 WeakPolarHBondContact CB-O 3.36Å; N472-A484 PolarHBondContact O-N 2.74Å; M474-A484 HydrophobicContact SD-CB 4.24Å
485	D	89	Confident	91.8	Very high	67 Å²	67	41 Å²	41	36%	0.358	22%	0.218	S	C	.	.			trans	69.4	88.6	-178.4	-156.6	7.7	0	0	0	115.1	K372 Y465	K372-D485 IonicContact NZ-OD1 3.87Å; K372-D485 PolarHBondContact NZ-OD1 2.98Å; Y465-D485 PolarHBondContact OH-O 2.66Å; Y465-D485 VanDerWaalsContact OH-O 3.09Å
486	F	92.7	Very high	91.7	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.022	26%	0.258	C	S	.	.			trans	-96.8	15.9	-178.7	-58.7	-91.4	0	0	0	112.7	E391 V394 L395 L404 L458 Y465 I483 M488 C489	E391-F486 HydrophobicContact CG-CB 4.16Å; V394-F486 HydrophobicContact CB-CB 4.34Å; V394-F486 HydrophobicContact CG1-CB 3.99Å; V394-F486 HydrophobicContact CG1-CD1 3.6Å; V394-F486 HydrophobicContact CG1-CE1 4.34Å; V394-F486 HydrophobicContact CG1-CG 3.92Å; L395-F486 HydrophobicContact CD2-CD2 3.42Å; L395-F486 VanDerWaalsContact CD2-CD2 3.42Å; L395-F486 HydrophobicContact CD2-CE2 3.59Å; L395-F486 HydrophobicContact CD2-CG 4.47Å; L395-F486 HydrophobicContact CG-CD2 3.81Å; L395-F486 HydrophobicContact CG-CE2 4.45Å; L395-F486 HydrophobicContact CG-CG 4.5Å; L404-F486 HydrophobicContact CB-CZ 4.27Å; L404-F486 HydrophobicContact CD2-CE1 4.19Å; L404-F486 HydrophobicContact CD2-CZ 4.11Å; L458-F486 HydrophobicContact CD1-CE1 4.28Å; Y465-F486 AromaticContact CD2-CD1 3.92Å; Y465-F486 HydrophobicContact CD2-CD1 3.92Å; Y465-F486 HydrophobicContact CD2-CE1 4.21Å; Y465-F486 AromaticContact CE2-CD1 3.61Å; Y465-F486 HydrophobicContact CE2-CD1 3.61Å; Y465-F486 AromaticContact CE2-CE1 3.85Å; Y465-F486 HydrophobicContact CE2-CE1 3.85Å; Y465-F486 HydrophobicContact CE2-CG 4.29Å; I483-F486 HydrophobicContact CG2-CZ 4.5Å; I483-F486 WeakPolarHBondContact O-CZ 3.46Å; F486-M488 PolarHBondContact O-N 2.87Å; F486-C489 WeakPolarHBondContact O-CB 2.94Å; F486-C489 PolarHBondContact O-N 3.4Å; F486-C489 VanDerWaalsContact O-N 3.12Å
487	G	88.9	Confident	92.1	Very high	14 Å²	14	47.5 Å²	47.5	14%	0.144	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24	-177.1	0	0	0	0	0	114.5
488	M	89.6	Confident	92.7	Very high	70 Å²	70	48.8 Å²	48.8	35%	0.345	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	3.2	179.6	-67.8	-66.9	174	0	0	113.6	Y465 R466 D467 F486 C503	Y465-M488 CarbonylContact O-C 3.49Å; R466-M488 PolarHBondContact NE-O 3.42Å; R466-M488 PolarHBondContact NH2-O 3.33Å; D467-M488 HydrophobicContact CB-CB 3.78Å; D467-M488 HydrophobicContact CB-CG 3.9Å; F486-M488 PolarHBondContact O-N 2.87Å; M488-C503 HydrophobicContact SD-CB 4.26Å
489	C	95.1	Very high	93.1	Very high	4 Å²	4	45 Å²	45	3%	0.027	26%	0.264	C	S	.	.			trans	-61.5	154.9	-179.6	-77.5	0	0	0	0	112.9	V390 V394 I463 I464 R466 F486	V390-C489 HydrophobicContact CG1-CB 4.06Å; V394-C489 HydrophobicContact CG2-CB 3.92Å; I463-C489 HydrophobicContact CG2-CB 4.04Å; I464-C489 CarbonylContact O-C 3.58Å; I464-C489 VanDerWaalsContact O-CA 3.27Å; I464-C489 WeakPolarHBondContact O-CA 3.46Å; R466-C489 PolarHBondContact NH2-O 2.83Å; F486-C489 WeakPolarHBondContact O-CB 2.94Å; F486-C489 PolarHBondContact O-N 3.4Å; F486-C489 VanDerWaalsContact O-N 3.12Å
490	K	94.9	Very high	93.2	Very high	84 Å²	84	53.1 Å²	53.1	37%	0.365	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-131	119.5	168.7	-167.1	70.1	175.9	177.8	0	110	I463 I464 M493	I463-K490 WeakPolarHBondContact CA-O 3.2Å; I464-K490 HydrophobicContact CD1-CB 4.2Å; I464-K490 HydrophobicContact CG1-CB 3.79Å; I464-K490 PolarHBondContact N-O 3.06Å; I464-K490 PolarHBondContact O-N 3.49Å; K490-M493 HydrophobicContact CB-CG 4.1Å; K490-M493 HydrophobicContact CG-CG 3.91Å; K490-M493 HydrophobicContact CG-SD 4.07Å; K490-M493 WeakPolarHBondContact O-CG 3.32Å
491	E	95.4	Very high	92.8	Very high	37 Å²	37	56 Å²	56	17%	0.173	32%	0.317	C	S	.	.	S	Bend	trans	-79.8	168.5	174.4	-65.5	171.1	114.6	0	0	111.7	V390 R393 V394 G462 I463 M493	V390-E491 HydrophobicContact CG1-CG 4.1Å; R393-E491 WeakPolarHBondContact CB-OE1 3.29Å; R393-E491 IonicContact CZ-OE2 2.61Å; R393-E491 VanDerWaalsContact CZ-OE2 3.23Å; R393-E491 IonicContact NE-OE1 2.82Å; R393-E491 PolarHBondContact NE-OE1 3.34Å; R393-E491 IonicContact NE-OE2 3.28Å; R393-E491 PolarHBondContact NE-OE2 2.96Å; R393-E491 IonicContact NH2-OE2 3.92Å; R393-E491 PolarHBondContact NH2-OE2 3.43Å; V394-E491 HydrophobicContact CG2-CG 4.23Å; G462-E491 CarbonylContact O-C 3Å; I463-E491 HydrophobicContact CD1-CG 4.41Å; I463-E491 HydrophobicContact CG1-CB 4.45Å; I463-E491 HydrophobicContact CG1-CG 3.98Å; E491-M493 VanDerWaalsContact C-N 3.3Å; E491-M493 PolarHBondContact O-N 3.32Å
492	N	94.7	Very high	92.3	Very high	135 Å²	135	59.9 Å²	59.9	72%	0.722	33%	0.334	S	S	*	.			trans	64	30.1	179.1	-53	-53.3	0	0	0	114.4	G462 V497	G462-N492 PolarHBondContact O-N 3.46Å; N492-V497 WeakPolarHBondContact O-CG1 3.36Å
493	M	95.9	Very high	91.7	Very high	14 Å²	14	60.3 Å²	60.3	7%	0.069	34%	0.338	C	S	.	.			trans	-102.6	52	-178.1	-64.1	-59.8	-59	0	0	111.8	G462 I464 K490 E491 V497 T499	G462-M493 PolarHBondContact O-N 3.21Å; I464-M493 HydrophobicContact CD1-CB 4.5Å; I464-M493 HydrophobicContact CD1-CE 3.82Å; I464-M493 HydrophobicContact CD1-CG 3.96Å; I464-M493 HydrophobicContact CD1-SD 4.46Å; I464-M493 HydrophobicContact CG1-CB 4.29Å; I464-M493 HydrophobicContact CG1-CG 3.89Å; I464-M493 HydrophobicContact CG2-CB 3.87Å; I464-M493 HydrophobicContact CG2-CG 4.41Å; K490-M493 HydrophobicContact CB-CG 4.1Å; K490-M493 HydrophobicContact CG-CG 3.91Å; K490-M493 HydrophobicContact CG-SD 4.07Å; K490-M493 WeakPolarHBondContact O-CG 3.32Å; E491-M493 VanDerWaalsContact C-N 3.3Å; E491-M493 PolarHBondContact O-N 3.32Å; M493-V497 WeakPolarHBondContact CE-O 3.43Å; M493-V497 HydrophobicContact SD-CG1 4.1Å; M493-T499 HydrophobicContact CE-CG2 3.9Å; M493-T499 HydrophobicContact SD-CG2 4.3Å
494	L	92.9	Very high	91	Very high	108 Å²	108	61.6 Å²	61.6	57%	0.565	35%	0.351	S	S	*	.			trans	-69.1	169	172	-65.4	173	0	0	0	111.2	G496 V497	L494-G496 PolarHBondContact O-N 3.33Å; L494-V497 WeakPolarHBondContact O-CB 3.33Å; L494-V497 PolarHBondContact O-N 2.77Å
495	D	88.3	Confident	90.7	Very high	121 Å²	121	61.9 Å²	61.9	65%	0.647	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	130.6	-177.9	-70.7	-29.4	0	0	0	112.2	V497 K521	D495-V497 VanDerWaalsContact C-N 3.32Å; D495-K521 IonicContact OD1-NZ 3.28Å; D495-K521 PolarHBondContact OD1-NZ 2.84Å; D495-K521 IonicContact OD2-NZ 3.59Å
496	G	87.6	Confident	90.6	Very high	81 Å²	81	60.6 Å²	60.6	84%	0.835	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-12.6	-176.1	0	0	0	0	0	115.1	L494	L494-G496 PolarHBondContact O-N 3.33Å
497	V	95.6	Very high	90.4	Very high	70 Å²	70	61.2 Å²	61.2	42%	0.424	35%	0.35	S	S	.	.			trans	-84.8	136.3	174.5	-173.9	0	0	0	0	110.4	N492 M493 L494 D495	N492-V497 WeakPolarHBondContact O-CG1 3.36Å; M493-V497 WeakPolarHBondContact CE-O 3.43Å; M493-V497 HydrophobicContact SD-CG1 4.1Å; L494-V497 WeakPolarHBondContact O-CB 3.33Å; L494-V497 PolarHBondContact O-N 2.77Å; D495-V497 VanDerWaalsContact C-N 3.32Å
498	T	96.2	Very high	90.7	Very high	85 Å²	85	61 Å²	61	52%	0.521	35%	0.345	S	S	.	.			trans	-127.7	149.3	-179	62.2	0	0	0	0	112.2	P518 Y519	T498-P518 HydrophobicContact CG2-CB 4.25Å; T498-Y519 CarbonylContact C-O 3.57Å; T498-Y519 VanDerWaalsContact CA-O 3.26Å; T498-Y519 WeakPolarHBondContact CA-O 3.29Å
499	T	93.1	Very high	90.9	Very high	19 Å²	19	57.9 Å²	57.9	12%	0.117	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-121.8	172.3	169.3	-172.1	0	0	0	0	110.2	I464 M493 P518 Y519	I464-T499 HydrophobicContact CD1-CG2 4.1Å; M493-T499 HydrophobicContact CE-CG2 3.9Å; M493-T499 HydrophobicContact SD-CG2 4.3Å; T499-P518 CarbonylContact O-C 3.48Å; T499-P518 VanDerWaalsContact O-CA 3.3Å; T499-P518 WeakPolarHBondContact O-CA 3.48Å; T499-Y519 HydrophobicContact CG2-CD2 3.92Å; T499-Y519 HydrophobicContact CG2-CE1 4.24Å; T499-Y519 HydrophobicContact CG2-CE2 3.35Å; T499-Y519 PolarHBondContact N-O 3.13Å; T499-Y519 PolarHBondContact O-N 2.83Å
500	K	90.8	Very high	90.9	Very high	171 Å²	171	57.7 Å²	57.7	74%	0.743	33%	0.329	S	S	*	.			trans	-137.6	8.3	-176	66.5	177	-178.3	178.6	0	114.6	F502	K500-F502 PolarHBondContact O-N 2.88Å
501	T	85.9	Confident	91	Very high	67 Å²	67	54 Å²	54	41%	0.411	31%	0.313	S	S	.	.			trans	-63.4	127.2	-179.8	-51.4	0	0	0	0	109.6	C503 Y519	T501-C503 HydrophobicContact CG2-CB 4.41Å; T501-C503 PolarHBondContact O-N 3.4Å; T501-Y519 VanDerWaalsContact O-CE1 3.29Å; T501-Y519 WeakPolarHBondContact O-CE1 3.4Å; T501-Y519 PolarHBondContact O-OH 2.99Å
502	F	86.6	Confident	91.1	Very high	81 Å²	81	52.3 Å²	52.3	36%	0.355	31%	0.305	S	S	.	.			trans	-80.5	107.6	173.8	-167.7	-80.1	0	0	0	108.9	K500 I509 I513 Y516 F551	K500-F502 PolarHBondContact O-N 2.88Å; F502-I509 HydrophobicContact CE1-CD1 3.86Å; F502-I509 HydrophobicContact CE2-CD1 4.18Å; F502-I509 HydrophobicContact CZ-CD1 3.67Å; F502-I513 HydrophobicContact CD2-CG2 3.82Å; F502-I513 HydrophobicContact CE2-CG2 4.15Å; F502-I513 HydrophobicContact CG-CG2 4.25Å; F502-Y516 HydrophobicContact CD2-CD1 4.4Å; F502-Y516 AromaticContact CD2-CE1 3.93Å; F502-Y516 HydrophobicContact CD2-CE1 3.93Å; F502-F551 AromaticContact CZ-CE2 3.92Å; F502-F551 HydrophobicContact CZ-CE2 3.92Å; F502-F551 AromaticContact CZ-CZ 4Å; F502-F551 HydrophobicContact CZ-CZ 4Å
503	C	84.4	Confident	91	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.115	27%	0.273	C	S	.	.			trans	-155.6	169.3	-177.6	63.8	0	0	0	0	111.1	R466 M488 T501	R466-C503 PolarHBondContact NH1-SG 3.1Å; R466-C503 VanDerWaalsContact NH1-SG 3.38Å; M488-C503 HydrophobicContact SD-CB 4.26Å; T501-C503 HydrophobicContact CG2-CB 4.41Å; T501-C503 PolarHBondContact O-N 3.4Å
504	G	82.7	Confident	90.7	Very high	27 Å²	27	46.7 Å²	46.7	28%	0.278	28%	0.275	S	S	.	.	S	Bend	trans	109.1	166.8	-178.3	0	0	0	0	0	112.1	R466	R466-G504 WeakPolarHBondContact O-CA 3.12Å
505	T	85.4	Confident	90.4	Very high	23 Å²	23	43.4 Å²	43.4	14%	0.141	26%	0.263	C	S	.	.			trans	-76.7	131.6	178.1	-60.2	0	0	0	0	110.2	L127 D467 K469 D507 Y508 I509	L127-T505 HydrophobicContact CD2-CG2 4.33Å; D467-T505 PolarHBondContact OD1-N 3.28Å; D467-T505 PolarHBondContact OD1-OG1 2.88Å; K469-T505 HydrophobicContact CD-CG2 4.27Å; K469-T505 WeakPolarHBondContact CD-OG1 3.2Å; K469-T505 PolarHBondContact NZ-OG1 3.25Å; K469-T505 VanDerWaalsContact NZ-OG1 3.08Å; T505-D507 VanDerWaalsContact C-N 3.31Å; T505-D507 PolarHBondContact O-N 3.27Å; T505-D507 VanDerWaalsContact O-N 3.15Å; T505-Y508 HydrophobicContact CG2-CD2 4.08Å; T505-Y508 PolarHBondContact O-N 2.99Å; T505-I509 PolarHBondContact O-N 2.87Å; T505-I509 VanDerWaalsContact O-N 3.13Å
506	P	86.8	Confident	90.4	Very high	40 Å²	40	46.1 Å²	46.1	26%	0.26	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-50.3	-41.1	-172.6	-32.2	36.7	0	0	0	115.6	Y508 I509 L550 F551	P506-Y508 VanDerWaalsContact C-N 3.27Å; P506-Y508 PolarHBondContact O-N 3.32Å; P506-I509 WeakPolarHBondContact O-CG2 3.44Å; P506-I509 PolarHBondContact O-N 3.06Å; P506-L550 HydrophobicContact CB-CD2 3.93Å; P506-F551 HydrophobicContact CB-CE1 4.07Å
507	D	88.3	Confident	90.6	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.091	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-67	-25.2	-179.1	-55.9	-91.8	0	0	0	113.7	L127 T505	L127-D507 HydrophobicContact CD1-CB 3.83Å; L127-D507 HydrophobicContact CG-CB 4.28Å; T505-D507 VanDerWaalsContact C-N 3.31Å; T505-D507 PolarHBondContact O-N 3.27Å; T505-D507 VanDerWaalsContact O-N 3.15Å
508	Y	95.4	Very high	90.5	Very high	9 Å²	9	48 Å²	48	4%	0.035	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-105.8	-2.2	-177.2	-61.3	-91.3	0	0	0	113.1	L127 L468 K469 L470 T505 P506 V530 L531 E534	L127-Y508 HydrophobicContact CD1-CD2 4.43Å; L127-Y508 HydrophobicContact CD1-CE2 3.45Å; L127-Y508 VanDerWaalsContact CD1-CE2 3.45Å; L127-Y508 HydrophobicContact CD2-CE2 4.48Å; L468-Y508 WeakPolarHBondContact O-CD1 3.48Å; K469-Y508 HydrophobicContact CB-CD2 3.63Å; K469-Y508 HydrophobicContact CB-CE1 4.3Å; K469-Y508 HydrophobicContact CB-CE2 3.3Å; K469-Y508 HydrophobicContact CB-CG 4.22Å; L470-Y508 WeakPolarHBondContact CG-OH 3.48Å; L470-Y508 PolarHBondContact N-OH 3.11Å; T505-Y508 HydrophobicContact CG2-CD2 4.08Å; T505-Y508 PolarHBondContact O-N 2.99Å; P506-Y508 VanDerWaalsContact C-N 3.27Å; P506-Y508 PolarHBondContact O-N 3.32Å; Y508-V530 HydrophobicContact CD1-CB 3.87Å; Y508-V530 HydrophobicContact CD1-CG1 3.51Å; Y508-V530 HydrophobicContact CE1-CB 4.36Å; Y508-V530 HydrophobicContact CE1-CG1 3.74Å; Y508-V530 HydrophobicContact CG-CG1 4.22Å; Y508-L531 HydrophobicContact CE1-CB 4Å; Y508-E534 PolarHBondContact OH-OE2 3.01Å
509	I	92.8	Very high	90.5	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	23%	0.232	C	C	.	.			trans	-68.4	138.9	-174	-155.2	174.1	0	0	0	110.7	F502 T505 P506 I513 I514 W526 F551 I554	F502-I509 HydrophobicContact CE1-CD1 3.86Å; F502-I509 HydrophobicContact CE2-CD1 4.18Å; F502-I509 HydrophobicContact CZ-CD1 3.67Å; T505-I509 PolarHBondContact O-N 2.87Å; T505-I509 VanDerWaalsContact O-N 3.13Å; P506-I509 WeakPolarHBondContact O-CG2 3.44Å; P506-I509 PolarHBondContact O-N 3.06Å; I509-I513 HydrophobicContact CD1-CB 4.27Å; I509-I513 HydrophobicContact CD1-CG2 3.72Å; I509-I513 HydrophobicContact CG1-CB 3.95Å; I509-I513 HydrophobicContact CG1-CD1 4.02Å; I509-I513 HydrophobicContact CG1-CG2 3.91Å; I509-I514 HydrophobicContact CG2-CD1 3.69Å; I509-I514 HydrophobicContact CG2-CG1 3.66Å; I509-W526 PolarHBondContact O-NE1 3.25Å; I509-F551 HydrophobicContact CG2-CD1 4.2Å; I509-F551 HydrophobicContact CG2-CE1 3.77Å; I509-I554 HydrophobicContact CG2-CD1 4.02Å
510	A	96.3	Very high	90.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	23%	0.233	C	C	.	.			trans	-81	148.8	-176.4	0	0	0	0	0	112.4	E512 I513 I514 V523 W526	A510-E512 HydrophobicContact CB-CG 4.3Å; A510-E512 WeakPolarHBondContact CB-OE2 3.44Å; A510-E512 PolarHBondContact O-N 3.3Å; A510-I513 HydrophobicContact CB-CD1 4.36Å; A510-I513 HydrophobicContact CB-CG1 4.32Å; A510-I513 WeakPolarHBondContact O-CB 3.42Å; A510-I513 PolarHBondContact O-N 2.8Å; A510-I514 PolarHBondContact O-N 2.94Å; A510-V523 HydrophobicContact CB-CB 4.01Å; A510-V523 HydrophobicContact CB-CG1 3.92Å; A510-W526 VanDerWaalsContact CA-CD1 3.48Å; A510-W526 HydrophobicContact CB-CB 3.9Å; A510-W526 HydrophobicContact CB-CD2 4.45Å; A510-W526 HydrophobicContact CB-CG 3.78Å
511	P	96.4	Very high	90.9	Very high	5 Å²	5	38 Å²	38	3%	0.032	21%	0.207	C	C	.	.	H	α-helix	trans	-54.1	-38.3	179.5	-28.7	35.2	0	0	0	113.6	I513 I514 A515 W526 I554 M555 K579	P511-I513 VanDerWaalsContact C-N 3.3Å; P511-I513 PolarHBondContact O-N 2.97Å; P511-I514 PolarHBondContact O-N 2.73Å; P511-A515 VanDerWaalsContact O-CB 3.3Å; P511-A515 WeakPolarHBondContact O-CB 3.24Å; P511-A515 PolarHBondContact O-N 3.48Å; P511-W526 VanDerWaalsContact CD-CD2 3.47Å; P511-W526 VanDerWaalsContact CD-CE2 3.45Å; P511-W526 HydrophobicContact CG-CD2 4.29Å; P511-W526 HydrophobicContact CG-CE3 4.03Å; P511-W526 HydrophobicContact CG-CH2 3.44Å; P511-W526 VanDerWaalsContact CG-CH2 3.44Å; P511-W526 HydrophobicContact CG-CZ2 3.75Å; P511-W526 HydrophobicContact CG-CZ3 3.59Å; P511-I554 HydrophobicContact CB-CG2 4.47Å; P511-I554 HydrophobicContact CG-CG2 3.82Å; P511-M555 HydrophobicContact CB-SD 3.63Å; P511-K579 HydrophobicContact CG-CB 4.27Å; P511-K579 HydrophobicContact CG-CG 4.25Å
512	E	96.4	Very high	91.5	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-30.4	178.2	61.3	-95	-141.7	0	0	113.2	A510 Y516 Q517 S522 V523 P581 R584	A510-E512 HydrophobicContact CB-CG 4.3Å; A510-E512 WeakPolarHBondContact CB-OE2 3.44Å; A510-E512 PolarHBondContact O-N 3.3Å; E512-Y516 PolarHBondContact O-N 3.07Å; E512-Q517 HydrophobicContact CB-CB 4.2Å; E512-Q517 WeakPolarHBondContact O-CB 3.44Å; E512-Q517 PolarHBondContact O-N 3.37Å; E512-S522 PolarHBondContact OE1-OG 2.93Å; E512-V523 HydrophobicContact CG-CG1 4.03Å; E512-P581 HydrophobicContact CB-CG 4.43Å; E512-R584 IonicContact OE1-CZ 3.25Å; E512-R584 IonicContact OE1-NH1 2.74Å; E512-R584 PolarHBondContact OE1-NH1 2.73Å; E512-R584 IonicContact OE1-NH2 2.83Å; E512-R584 IonicContact OE2-CZ 2.88Å; E512-R584 IonicContact OE2-NH1 3.63Å; E512-R584 PolarHBondContact OE2-NH1 2.99Å; E512-R584 IonicContact OE2-NH2 3.88Å; E512-R584 PolarHBondContact OE2-NH2 2.63Å
513	I	92.9	Very high	92	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.046	18%	0.177	C	C	.	.	H	α-helix	trans	-72.3	-45.8	175.3	-56.7	178.1	0	0	0	109.6	F502 I509 A510 P511 A515 Y516 Y519 V523	F502-I513 HydrophobicContact CD2-CG2 3.82Å; F502-I513 HydrophobicContact CE2-CG2 4.15Å; F502-I513 HydrophobicContact CG-CG2 4.25Å; I509-I513 HydrophobicContact CD1-CB 4.27Å; I509-I513 HydrophobicContact CD1-CG2 3.72Å; I509-I513 HydrophobicContact CG1-CB 3.95Å; I509-I513 HydrophobicContact CG1-CD1 4.02Å; I509-I513 HydrophobicContact CG1-CG2 3.91Å; A510-I513 HydrophobicContact CB-CD1 4.36Å; A510-I513 HydrophobicContact CB-CG1 4.32Å; A510-I513 WeakPolarHBondContact O-CB 3.42Å; A510-I513 PolarHBondContact O-N 2.8Å; P511-I513 VanDerWaalsContact C-N 3.3Å; P511-I513 PolarHBondContact O-N 2.97Å; I513-A515 PolarHBondContact O-N 3.07Å; I513-Y516 WeakPolarHBondContact O-CA 3.11Å; I513-Y516 PolarHBondContact O-N 3.29Å; I513-Y519 HydrophobicContact CD1-CE1 4.28Å; I513-Y519 HydrophobicContact CG1-CD1 3.72Å; I513-Y519 HydrophobicContact CG1-CE1 3.81Å; I513-Y519 HydrophobicContact CG1-CG 4.14Å; I513-Y519 HydrophobicContact CG2-CE1 4.46Å; I513-V523 HydrophobicContact CD1-CB 4Å; I513-V523 HydrophobicContact CD1-CG1 3.78Å; I513-V523 HydrophobicContact CD1-CG2 4.49Å; I513-V523 HydrophobicContact CG1-CG1 3.83Å
514	I	90.5	Very high	92.7	Very high	21 Å²	21	31.1 Å²	31.1	11%	0.108	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-40.4	176.3	-58.4	172.4	0	0	0	110.6	I509 A510 P511 Y516 F551 I554 M555	I509-I514 HydrophobicContact CG2-CD1 3.69Å; I509-I514 HydrophobicContact CG2-CG1 3.66Å; A510-I514 PolarHBondContact O-N 2.94Å; P511-I514 PolarHBondContact O-N 2.73Å; I514-Y516 VanDerWaalsContact O-CD2 3.23Å; I514-Y516 WeakPolarHBondContact O-CD2 3.46Å; I514-Y516 WeakPolarHBondContact O-CE2 3.36Å; I514-Y516 PolarHBondContact O-N 3.32Å; I514-F551 HydrophobicContact CD1-CB 4.12Å; I514-F551 HydrophobicContact CD1-CD1 3.83Å; I514-F551 HydrophobicContact CD1-CG 4.06Å; I514-F551 HydrophobicContact CG1-CD1 4.17Å; I514-F551 HydrophobicContact CG1-CG 4.25Å; I514-F551 HydrophobicContact CG2-CB 3.85Å; I514-F551 HydrophobicContact CG2-CD2 4.23Å; I514-F551 HydrophobicContact CG2-CG 4.06Å; I514-I554 HydrophobicContact CD1-CB 3.81Å; I514-I554 HydrophobicContact CD1-CD1 3.88Å; I514-I554 HydrophobicContact CD1-CG1 4.46Å; I514-I554 HydrophobicContact CD1-CG2 3.51Å; I514-M555 HydrophobicContact CB-SD 4.25Å; I514-M555 HydrophobicContact CG2-CG 4.08Å; I514-M555 HydrophobicContact CG2-SD 4.35Å
515	A	87.1	Confident	93.4	Very high	39 Å²	39	30 Å²	30	32%	0.322	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	6.1	177.1	0	0	0	0	0	114	P511 I513 Q517 M555	P511-A515 VanDerWaalsContact O-CB 3.3Å; P511-A515 WeakPolarHBondContact O-CB 3.24Å; P511-A515 PolarHBondContact O-N 3.48Å; I513-A515 PolarHBondContact O-N 3.07Å; A515-Q517 HydrophobicContact CB-CG 3.99Å; A515-Q517 PolarHBondContact O-N 2.67Å; A515-M555 HydrophobicContact CB-CE 4Å
516	Y	86.8	Confident	94.1	Very high	179 Å²	179	28.9 Å²	28.9	70%	0.702	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	30.7	-177.3	-64.6	-92.1	0	0	0	113.8	F502 E512 I513 I514	F502-Y516 HydrophobicContact CD2-CD1 4.4Å; F502-Y516 AromaticContact CD2-CE1 3.93Å; F502-Y516 HydrophobicContact CD2-CE1 3.93Å; E512-Y516 PolarHBondContact O-N 3.07Å; I513-Y516 WeakPolarHBondContact O-CA 3.11Å; I513-Y516 PolarHBondContact O-N 3.29Å; I514-Y516 VanDerWaalsContact O-CD2 3.23Å; I514-Y516 WeakPolarHBondContact O-CD2 3.46Å; I514-Y516 WeakPolarHBondContact O-CE2 3.36Å; I514-Y516 PolarHBondContact O-N 3.32Å
517	Q	91.4	Very high	94.6	Very high	103 Å²	103	27.2 Å²	27.2	48%	0.481	14%	0.142	S	C	.	.			trans	-86.2	149.2	177.7	-63.4	-176.4	-13.2	0	0	110.9	E512 A515 Y519	E512-Q517 HydrophobicContact CB-CB 4.2Å; E512-Q517 WeakPolarHBondContact O-CB 3.44Å; E512-Q517 PolarHBondContact O-N 3.37Å; A515-Q517 HydrophobicContact CB-CG 3.99Å; A515-Q517 PolarHBondContact O-N 2.67Å; Q517-Y519 PolarHBondContact O-N 3.4Å
518	P	93.9	Very high	95.1	Very high	86 Å²	86	26.4 Å²	26.4	56%	0.558	14%	0.138	S	C	*	.			trans	-60.3	138.4	168.9	-19.8	31.9	0	0	0	110.8	T498 T499	T498-P518 HydrophobicContact CG2-CB 4.25Å; T499-P518 CarbonylContact O-C 3.48Å; T499-P518 VanDerWaalsContact O-CA 3.3Å; T499-P518 WeakPolarHBondContact O-CA 3.48Å
519	Y	96.4	Very high	95.3	Very high	5 Å²	5	26 Å²	26	2%	0.02	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-137.9	160.4	-174.9	66.1	-99.4	0	0	0	112.1	I464 R466 T498 T499 T501 I513 Q517 V523	I464-Y519 HydrophobicContact CD1-CD2 4.36Å; I464-Y519 HydrophobicContact CD1-CE2 4.01Å; R466-Y519 PolarHBondContact NH1-OH 3.46Å; T498-Y519 CarbonylContact C-O 3.57Å; T498-Y519 VanDerWaalsContact CA-O 3.26Å; T498-Y519 WeakPolarHBondContact CA-O 3.29Å; T499-Y519 HydrophobicContact CG2-CD2 3.92Å; T499-Y519 HydrophobicContact CG2-CE1 4.24Å; T499-Y519 HydrophobicContact CG2-CE2 3.35Å; T499-Y519 PolarHBondContact N-O 3.13Å; T499-Y519 PolarHBondContact O-N 2.83Å; T501-Y519 VanDerWaalsContact O-CE1 3.29Å; T501-Y519 WeakPolarHBondContact O-CE1 3.4Å; T501-Y519 PolarHBondContact O-OH 2.99Å; I513-Y519 HydrophobicContact CD1-CE1 4.28Å; I513-Y519 HydrophobicContact CG1-CD1 3.72Å; I513-Y519 HydrophobicContact CG1-CE1 3.81Å; I513-Y519 HydrophobicContact CG1-CG 4.14Å; I513-Y519 HydrophobicContact CG2-CE1 4.46Å; Q517-Y519 PolarHBondContact O-N 3.4Å; Y519-V523 HydrophobicContact CD2-CB 4.34Å; Y519-V523 HydrophobicContact CD2-CG1 3.46Å; Y519-V523 VanDerWaalsContact CD2-CG1 3.46Å; Y519-V523 HydrophobicContact CD2-CG2 3.91Å; Y519-V523 HydrophobicContact CE2-CG1 4.24Å; Y519-V523 HydrophobicContact CE2-CG2 4.11Å; Y519-V523 HydrophobicContact CG-CG1 3.65Å
520	G	96.3	Very high	95.5	Very high	14 Å²	14	25.8 Å²	25.8	14%	0.144	14%	0.135	C	C	.	.			trans	-131	-142.2	176.3	0	0	0	0	0	110.7	S522 V523	G520-S522 PolarHBondContact O-N 3.06Å; G520-V523 PolarHBondContact O-N 3.07Å
521	K	96.3	Very high	95.6	Very high	48 Å²	48	25.8 Å²	25.8	21%	0.209	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-11.6	179.2	74.3	-172.6	-176.4	-164.2	0	115.2	H459 I464 D495 V523 D524	H459-K521 HydrophobicContact CB-CD 4.44Å; I464-K521 HydrophobicContact CG2-CB 3.84Å; D495-K521 IonicContact OD1-NZ 3.28Å; D495-K521 PolarHBondContact OD1-NZ 2.84Å; D495-K521 IonicContact OD2-NZ 3.59Å; K521-V523 PolarHBondContact O-N 3.46Å; K521-D524 PolarHBondContact O-N 3.1Å
522	S	97.5	Very high	95.7	Very high	13 Å²	13	25.5 Å²	25.5	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-30.2	179.1	61.7	0	0	0	0	114.1	E512 G520 W525 W526 R584 C587	E512-S522 PolarHBondContact OE1-OG 2.93Å; G520-S522 PolarHBondContact O-N 3.06Å; S522-W525 PolarHBondContact O-N 3.46Å; S522-W526 PolarHBondContact O-N 2.92Å; S522-R584 PolarHBondContact O-NH1 2.84Å; S522-C587 VanDerWaalsContact CA-SG 3.51Å; S522-C587 WeakPolarHBondContact CB-SG 3.19Å
523	V	98.1	Very high	95.8	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.036	13%	0.133	C	C	.	.	H	α-helix	trans	-71.3	-33.1	-176.7	-55.5	0	0	0	0	111.8	R466 A510 E512 I513 Y519 G520 K521 W526 A527	R466-V523 HydrophobicContact CG-CG2 4.22Å; A510-V523 HydrophobicContact CB-CB 4.01Å; A510-V523 HydrophobicContact CB-CG1 3.92Å; E512-V523 HydrophobicContact CG-CG1 4.03Å; I513-V523 HydrophobicContact CD1-CB 4Å; I513-V523 HydrophobicContact CD1-CG1 3.78Å; I513-V523 HydrophobicContact CD1-CG2 4.49Å; I513-V523 HydrophobicContact CG1-CG1 3.83Å; Y519-V523 HydrophobicContact CD2-CB 4.34Å; Y519-V523 HydrophobicContact CD2-CG1 3.46Å; Y519-V523 VanDerWaalsContact CD2-CG1 3.46Å; Y519-V523 HydrophobicContact CD2-CG2 3.91Å; Y519-V523 HydrophobicContact CE2-CG1 4.24Å; Y519-V523 HydrophobicContact CE2-CG2 4.11Å; Y519-V523 HydrophobicContact CG-CG1 3.65Å; G520-V523 PolarHBondContact O-N 3.07Å; K521-V523 PolarHBondContact O-N 3.46Å; V523-W526 WeakPolarHBondContact O-CB 3.44Å; V523-W526 PolarHBondContact O-N 3.05Å; V523-A527 PolarHBondContact O-N 3.31Å
524	D	98.4	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68	-38.9	176.2	-67.9	-19.2	0	0	0	110.8	L455 H459 I464 Y465 R466 K521 W526 A527 F528	L455-D524 HydrophobicContact CD2-CB 4.43Å; H459-D524 IonicContact CD2-OD2 3.62Å; H459-D524 IonicContact CE1-OD2 3.12Å; H459-D524 IonicContact NE2-OD2 3.71Å; H459-D524 PolarHBondContact NE2-OD2 3.45Å; I464-D524 WeakPolarHBondContact CA-OD2 3.23Å; Y465-D524 PolarHBondContact N-OD1 3.19Å; Y465-D524 PolarHBondContact N-OD2 3.43Å; R466-D524 PolarHBondContact N-OD1 3.41Å; K521-D524 PolarHBondContact O-N 3.1Å; D524-W526 VanDerWaalsContact C-N 3.33Å; D524-W526 PolarHBondContact O-N 2.92Å; D524-A527 PolarHBondContact O-N 3.47Å; D524-F528 VanDerWaalsContact O-CB 3.26Å; D524-F528 WeakPolarHBondContact O-CB 3.39Å; D524-F528 PolarHBondContact O-N 2.72Å
525	W	98.6	Very high	96.1	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-69.4	-30.4	176.6	-66.7	125	0	0	0	113.4	A452 L455 F456 H459 S522 F528 G529 L576 G586 I595	A452-W525 HydrophobicContact CB-CZ3 4.45Å; L455-W525 HydrophobicContact CB-CH2 4Å; L455-W525 HydrophobicContact CB-CZ3 4.45Å; L455-W525 HydrophobicContact CD1-CE3 4.38Å; L455-W525 HydrophobicContact CD1-CH2 4.29Å; L455-W525 HydrophobicContact CD1-CZ3 3.91Å; F456-W525 AromaticContact CD1-CH2 3.59Å; F456-W525 HydrophobicContact CD1-CH2 3.59Å; F456-W525 AromaticContact CD1-CZ2 3.61Å; F456-W525 HydrophobicContact CD1-CZ2 3.61Å; F456-W525 AromaticContact CE1-CH2 3.19Å; F456-W525 HydrophobicContact CE1-CH2 3.19Å; F456-W525 AromaticContact CE1-CZ2 3.39Å; F456-W525 HydrophobicContact CE1-CZ2 3.39Å; F456-W525 HydrophobicContact CE1-CZ3 4.3Å; F456-W525 AromaticContact CZ-CH2 3.9Å; F456-W525 HydrophobicContact CZ-CH2 3.9Å; F456-W525 HydrophobicContact CZ-CZ2 4.46Å; H459-W525 AromaticContact CE1-CE2 3.77Å; H459-W525 AromaticContact CE1-CZ2 3.93Å; H459-W525 AromaticContact CE1-NE1 3.61Å; H459-W525 AromaticContact ND1-CE2 3.86Å; H459-W525 AromaticContact ND1-CZ2 3.77Å; H459-W525 AromaticContact ND1-NE1 3.62Å; S522-W525 PolarHBondContact O-N 3.46Å; W525-F528 HydrophobicContact CE3-CB 4.15Å; W525-F528 AromaticContact CE3-CD1 3.86Å; W525-F528 HydrophobicContact CE3-CD1 3.86Å; W525-F528 HydrophobicContact CE3-CG 4.11Å; W525-F528 HydrophobicContact CZ3-CD1 4Å; W525-F528 HydrophobicContact CZ3-CE1 4.35Å; W525-F528 HydrophobicContact CZ3-CG 4.21Å; W525-G529 PolarHBondContact O-N 3.34Å; W525-G529 VanDerWaalsContact O-N 3.08Å; W525-L576 HydrophobicContact CB-CD2 4.23Å; W525-L576 HydrophobicContact CE3-CD2 4.38Å; W525-G586 PolarHBondContact NE1-O 3.38Å; W525-I595 HydrophobicContact CD2-CD1 3.57Å; W525-I595 HydrophobicContact CE3-CD1 3.42Å; W525-I595 VanDerWaalsContact CE3-CD1 3.42Å; W525-I595 HydrophobicContact CG-CD1 4.43Å; W525-I595 HydrophobicContact CH2-CD1 3.61Å; W525-I595 HydrophobicContact CZ2-CD1 3.71Å; W525-I595 HydrophobicContact CZ3-CD1 3.46Å; W525-I595 VanDerWaalsContact CZ3-CD1 3.46Å
526	W	98.6	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.7	-53.1	169.2	173.6	-87.1	0	0	0	111.2	I509 A510 P511 S522 V523 D524 F528 G529 V530 F542 I554 M577 K579	I509-W526 PolarHBondContact O-NE1 3.25Å; A510-W526 VanDerWaalsContact CA-CD1 3.48Å; A510-W526 HydrophobicContact CB-CB 3.9Å; A510-W526 HydrophobicContact CB-CD2 4.45Å; A510-W526 HydrophobicContact CB-CG 3.78Å; P511-W526 VanDerWaalsContact CD-CD2 3.47Å; P511-W526 VanDerWaalsContact CD-CE2 3.45Å; P511-W526 HydrophobicContact CG-CD2 4.29Å; P511-W526 HydrophobicContact CG-CE3 4.03Å; P511-W526 HydrophobicContact CG-CH2 3.44Å; P511-W526 VanDerWaalsContact CG-CH2 3.44Å; P511-W526 HydrophobicContact CG-CZ2 3.75Å; P511-W526 HydrophobicContact CG-CZ3 3.59Å; S522-W526 PolarHBondContact O-N 2.92Å; V523-W526 WeakPolarHBondContact O-CB 3.44Å; V523-W526 PolarHBondContact O-N 3.05Å; D524-W526 VanDerWaalsContact C-N 3.33Å; D524-W526 PolarHBondContact O-N 2.92Å; W526-F528 PolarHBondContact O-N 3.16Å; W526-G529 WeakPolarHBondContact O-CA 3.44Å; W526-G529 PolarHBondContact O-N 3.28Å; W526-V530 PolarHBondContact O-N 3.39Å; W526-F542 AromaticContact CH2-CE2 3.92Å; W526-F542 HydrophobicContact CH2-CE2 3.92Å; W526-F542 AromaticContact CH2-CZ 3.76Å; W526-F542 HydrophobicContact CH2-CZ 3.76Å; W526-F542 HydrophobicContact CZ2-CD2 4.38Å; W526-F542 AromaticContact CZ2-CE2 3.45Å; W526-F542 HydrophobicContact CZ2-CE2 3.45Å; W526-F542 VanDerWaalsContact CZ2-CE2 3.45Å; W526-F542 AromaticContact CZ2-CZ 3.79Å; W526-F542 HydrophobicContact CZ2-CZ 3.79Å; W526-I554 HydrophobicContact CH2-CG2 4.42Å; W526-I554 HydrophobicContact CZ2-CG2 3.81Å; W526-M577 HydrophobicContact CE3-CB 4.41Å; W526-M577 HydrophobicContact CH2-CB 4.37Å; W526-M577 HydrophobicContact CZ3-CB 4.1Å; W526-M577 VanDerWaalsContact CZ3-O 3.31Å; W526-M577 WeakPolarHBondContact CZ3-O 3.38Å; W526-K579 HydrophobicContact CH2-CG 4.32Å; W526-K579 HydrophobicContact CZ3-CG 4.3Å
527	A	98.4	Very high	96.9	Very high	5 Å²	5	15.5 Å²	15.5	4%	0.041	9%	0.088	C	C	.	.	H	α-helix	trans	-58.9	-37.5	178.9	0	0	0	0	0	111.6	L468 V523 D524 G529 V530 L531	L468-A527 HydrophobicContact CB-CB 3.98Å; V523-A527 PolarHBondContact O-N 3.31Å; D524-A527 PolarHBondContact O-N 3.47Å; A527-G529 VanDerWaalsContact C-N 3.33Å; A527-G529 PolarHBondContact O-N 3.36Å; A527-V530 PolarHBondContact O-N 3.2Å; A527-L531 WeakPolarHBondContact O-CB 3.44Å; A527-L531 PolarHBondContact O-N 3.39Å
528	F	98.8	Very high	96.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-39.9	173	-178.7	-107.4	0	0	0	112.1	A448 I451 A452 L455 L468 D524 W525 W526 L532 L576 F601	A448-F528 HydrophobicContact CB-CE2 4.17Å; A448-F528 HydrophobicContact CB-CZ 3.84Å; A448-F528 VanDerWaalsContact O-CE2 3.26Å; A448-F528 WeakPolarHBondContact O-CE2 3.46Å; A448-F528 VanDerWaalsContact O-CZ 3.26Å; A448-F528 WeakPolarHBondContact O-CZ 3.35Å; I451-F528 HydrophobicContact CB-CD2 4.49Å; I451-F528 HydrophobicContact CB-CE2 4.05Å; I451-F528 HydrophobicContact CG2-CD2 3.78Å; I451-F528 HydrophobicContact CG2-CE2 3.84Å; A452-F528 HydrophobicContact CB-CE2 4.2Å; A452-F528 HydrophobicContact CB-CZ 3.95Å; L455-F528 HydrophobicContact CD1-CB 4.25Å; L455-F528 HydrophobicContact CD1-CD2 4.1Å; L455-F528 HydrophobicContact CD1-CG 4.36Å; L468-F528 HydrophobicContact CD2-CB 3.86Å; L468-F528 HydrophobicContact CD2-CD2 4.18Å; D524-F528 VanDerWaalsContact O-CB 3.26Å; D524-F528 WeakPolarHBondContact O-CB 3.39Å; D524-F528 PolarHBondContact O-N 2.72Å; W525-F528 HydrophobicContact CE3-CB 4.15Å; W525-F528 AromaticContact CE3-CD1 3.86Å; W525-F528 HydrophobicContact CE3-CD1 3.86Å; W525-F528 HydrophobicContact CE3-CG 4.11Å; W525-F528 HydrophobicContact CZ3-CD1 4Å; W525-F528 HydrophobicContact CZ3-CE1 4.35Å; W525-F528 HydrophobicContact CZ3-CG 4.21Å; W526-F528 PolarHBondContact O-N 3.16Å; F528-L532 VanDerWaalsContact O-CB 3.24Å; F528-L532 WeakPolarHBondContact O-CB 3.26Å; F528-L532 PolarHBondContact O-N 3.05Å; F528-L576 HydrophobicContact CD1-CD1 3.55Å; F528-L576 HydrophobicContact CD1-CD2 4.03Å; F528-L576 HydrophobicContact CD1-CG 4.43Å; F528-L576 HydrophobicContact CE1-CD1 3.84Å; F528-F601 HydrophobicContact CZ-CZ 4.35Å
529	G	98.6	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.7	-41.3	173.6	0	0	0	0	0	113.8	W525 W526 A527 Y533	W525-G529 PolarHBondContact O-N 3.34Å; W525-G529 VanDerWaalsContact O-N 3.08Å; W526-G529 WeakPolarHBondContact O-CA 3.44Å; W526-G529 PolarHBondContact O-N 3.28Å; A527-G529 VanDerWaalsContact C-N 3.33Å; A527-G529 PolarHBondContact O-N 3.36Å; G529-Y533 WeakPolarHBondContact O-CB 3.39Å; G529-Y533 PolarHBondContact O-N 2.73Å
530	V	98.3	Very high	96.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-50.6	175.1	174.1	0	0	0	0	110.4	Y508 W526 A527 L532 Y533 E534 P541 M577	Y508-V530 HydrophobicContact CD1-CB 3.87Å; Y508-V530 HydrophobicContact CD1-CG1 3.51Å; Y508-V530 HydrophobicContact CE1-CB 4.36Å; Y508-V530 HydrophobicContact CE1-CG1 3.74Å; Y508-V530 HydrophobicContact CG-CG1 4.22Å; W526-V530 PolarHBondContact O-N 3.39Å; A527-V530 PolarHBondContact O-N 3.2Å; V530-L532 VanDerWaalsContact C-N 3.33Å; V530-L532 PolarHBondContact O-N 3.33Å; V530-Y533 WeakPolarHBondContact O-CB 3.4Å; V530-Y533 PolarHBondContact O-N 2.99Å; V530-Y533 VanDerWaalsContact O-N 3.16Å; V530-E534 PolarHBondContact O-N 3.45Å; V530-P541 HydrophobicContact CB-CG 4.26Å; V530-P541 HydrophobicContact CG1-CG 3.81Å; V530-P541 HydrophobicContact CG2-CG 4.09Å; V530-M577 HydrophobicContact CG2-CG 4.46Å; V530-M577 HydrophobicContact CG2-SD 4.23Å
531	L	97.8	Very high	96.3	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-58.2	-44.4	177.5	-170.8	158.8	0	0	0	111.6	I451 L468 L470 V473 Y508 A527 Y533 E534 M535	I451-L531 HydrophobicContact CD1-CD1 4.44Å; I451-L531 HydrophobicContact CD1-CD2 3.83Å; L468-L531 HydrophobicContact CD1-CD1 4.11Å; L468-L531 HydrophobicContact CD2-CD1 4.28Å; L468-L531 HydrophobicContact CG-CD1 3.8Å; L470-L531 HydrophobicContact CD2-CD2 4.19Å; L470-L531 HydrophobicContact CD2-CG 3.97Å; L470-L531 HydrophobicContact CG-CG 4.4Å; V473-L531 HydrophobicContact CG2-CD1 4.16Å; Y508-L531 HydrophobicContact CE1-CB 4Å; A527-L531 WeakPolarHBondContact O-CB 3.44Å; A527-L531 PolarHBondContact O-N 3.39Å; L531-Y533 PolarHBondContact O-N 3.29Å; L531-E534 PolarHBondContact O-N 2.73Å; L531-M535 HydrophobicContact CD2-CE 3.67Å; L531-M535 HydrophobicContact CD2-CG 4.17Å; L531-M535 HydrophobicContact CD2-SD 4.01Å; L531-M535 WeakPolarHBondContact O-CG 3.5Å; L531-M535 PolarHBondContact O-N 3.02Å
532	L	98.4	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.2	-41.3	177.1	-179.3	56	0	0	0	112.3	A444 A448 F528 V530 E534 M535 L536 I572 L576 F600	A444-L532 HydrophobicContact CB-CD1 4.39Å; A448-L532 HydrophobicContact CB-CD1 3.88Å; F528-L532 VanDerWaalsContact O-CB 3.24Å; F528-L532 WeakPolarHBondContact O-CB 3.26Å; F528-L532 PolarHBondContact O-N 3.05Å; V530-L532 VanDerWaalsContact C-N 3.33Å; V530-L532 PolarHBondContact O-N 3.33Å; L532-E534 VanDerWaalsContact C-N 3.35Å; L532-M535 HydrophobicContact CD1-CE 3.78Å; L532-M535 PolarHBondContact O-N 2.77Å; L532-L536 HydrophobicContact CD1-CD1 3.81Å; L532-L536 HydrophobicContact CD1-CG 4.28Å; L532-L536 HydrophobicContact CG-CD1 3.89Å; L532-L536 WeakPolarHBondContact O-CD1 3.31Å; L532-L536 WeakPolarHBondContact O-CG 3.49Å; L532-L536 PolarHBondContact O-N 2.89Å; L532-I572 HydrophobicContact CD2-CD1 4.21Å; L532-I572 HydrophobicContact CD2-CG1 4.32Å; L532-I572 HydrophobicContact CD2-CG2 3.67Å; L532-L576 HydrophobicContact CD2-CD1 4.21Å; L532-F600 HydrophobicContact CD1-CE1 3.88Å; L532-F600 HydrophobicContact CD1-CZ 3.82Å; L532-F600 HydrophobicContact CD2-CD1 4.46Å; L532-F600 HydrophobicContact CD2-CE1 3.98Å; L532-F600 HydrophobicContact CD2-CZ 4.35Å
533	Y	97.9	Very high	95.7	Very high	5 Å²	5	18 Å²	18	2%	0.02	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-44.9	175.1	177.7	-85.5	0	0	0	111.1	G529 V530 L531 M535 L536 A537 Q539 P541 V559 S560 Y561 M565 M577	G529-Y533 WeakPolarHBondContact O-CB 3.39Å; G529-Y533 PolarHBondContact O-N 2.73Å; V530-Y533 WeakPolarHBondContact O-CB 3.4Å; V530-Y533 PolarHBondContact O-N 2.99Å; V530-Y533 VanDerWaalsContact O-N 3.16Å; L531-Y533 PolarHBondContact O-N 3.29Å; Y533-M535 PolarHBondContact O-N 2.88Å; Y533-L536 PolarHBondContact O-N 3.25Å; Y533-L536 VanDerWaalsContact O-N 3.12Å; Y533-A537 HydrophobicContact CD1-CB 3.99Å; Y533-A537 HydrophobicContact CE1-CB 3.59Å; Y533-A537 HydrophobicContact CE2-CB 4.14Å; Y533-A537 HydrophobicContact CG-CB 4.44Å; Y533-A537 VanDerWaalsContact O-CB 3.24Å; Y533-A537 WeakPolarHBondContact O-CB 3.22Å; Y533-A537 PolarHBondContact O-N 2.94Å; Y533-Q539 WeakPolarHBondContact CD1-O 3.45Å; Y533-Q539 HydrophobicContact CE1-CG 4.38Å; Y533-Q539 WeakPolarHBondContact CE1-O 3.38Å; Y533-P541 HydrophobicContact CD1-CB 3.57Å; Y533-P541 HydrophobicContact CD1-CG 4Å; Y533-P541 HydrophobicContact CD2-CB 4.39Å; Y533-P541 VanDerWaalsContact CE1-CA 3.4Å; Y533-P541 HydrophobicContact CE1-CB 3.79Å; Y533-P541 HydrophobicContact CG-CB 3.89Å; Y533-P541 HydrophobicContact CG-CG 4.39Å; Y533-V559 HydrophobicContact CD2-CG1 3.97Å; Y533-V559 HydrophobicContact CE2-CG1 3.64Å; Y533-S560 WeakPolarHBondContact CE2-O 3.03Å; Y533-S560 PolarHBondContact OH-O 3.42Å; Y533-Y561 HydrophobicContact CD2-CD1 4.22Å; Y533-Y561 HydrophobicContact CD2-CE1 4.1Å; Y533-Y561 HydrophobicContact CE2-CD1 4.03Å; Y533-Y561 HydrophobicContact CE2-CE1 4.24Å; Y533-M565 HydrophobicContact CD2-CE 4.47Å; Y533-M565 HydrophobicContact CD2-SD 4.42Å; Y533-M565 HydrophobicContact CE2-SD 4.27Å; Y533-M577 HydrophobicContact CD2-CE 3.99Å; Y533-M577 HydrophobicContact CG-CE 4.15Å
534	E	95.3	Very high	94.9	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-61.1	-43	178.2	-74.3	-177.1	173	0	0	112.5	L470 Y508 V530 L531 L532 L536 G538	L470-E534 HydrophobicContact CD1-CB 4.25Å; L470-E534 WeakPolarHBondContact CD1-OE2 3.12Å; Y508-E534 PolarHBondContact OH-OE2 3.01Å; V530-E534 PolarHBondContact O-N 3.45Å; L531-E534 PolarHBondContact O-N 2.73Å; L532-E534 VanDerWaalsContact C-N 3.35Å; E534-L536 VanDerWaalsContact C-N 3.26Å; E534-L536 PolarHBondContact O-N 2.8Å; E534-G538 VanDerWaalsContact O-CA 3.28Å; E534-G538 WeakPolarHBondContact O-CA 3.11Å; E534-G538 PolarHBondContact O-N 3.12Å
535	M	95.8	Very high	93.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.1	-40.4	174.1	-72.7	-163.7	-65.4	0	0	112.3	L429 I433 F439 A444 Y447 A448 L470 L531 L532 Y533	L429-M535 HydrophobicContact CD1-SD 4.47Å; I433-M535 HydrophobicContact CD1-CG 3.95Å; F439-M535 WeakPolarHBondContact CB-O 3.3Å; F439-M535 HydrophobicContact CD2-CB 3.92Å; F439-M535 HydrophobicContact CD2-CG 3.79Å; F439-M535 HydrophobicContact CD2-SD 3.99Å; F439-M535 HydrophobicContact CE2-CG 4.13Å; F439-M535 HydrophobicContact CE2-SD 4.23Å; F439-M535 PolarHBondContact N-O 3.49Å; A444-M535 HydrophobicContact CB-CB 3.99Å; A444-M535 HydrophobicContact CB-CE 4.35Å; Y447-M535 HydrophobicContact CD2-SD 4.31Å; A448-M535 HydrophobicContact CB-CE 4.02Å; L470-M535 HydrophobicContact CD2-CG 4.33Å; L531-M535 HydrophobicContact CD2-CE 3.67Å; L531-M535 HydrophobicContact CD2-CG 4.17Å; L531-M535 HydrophobicContact CD2-SD 4.01Å; L531-M535 WeakPolarHBondContact O-CG 3.5Å; L531-M535 PolarHBondContact O-N 3.02Å; L532-M535 HydrophobicContact CD1-CE 3.78Å; L532-M535 PolarHBondContact O-N 2.77Å; Y533-M535 PolarHBondContact O-N 2.88Å
536	L	96.7	Very high	92.8	Very high	12 Å²	12	27 Å²	27	6%	0.063	15%	0.153	C	C	.	.	H	α-helix	trans	-85.7	-33.9	-174.2	-69.1	165.6	0	0	0	113.7	E441 A444 L532 Y533 E534 M565 A569 F600	E441-L536 HydrophobicContact CB-CD2 4.19Å; E441-L536 HydrophobicContact CG-CD2 4.23Å; A444-L536 HydrophobicContact CB-CD2 3.61Å; A444-L536 HydrophobicContact CB-CG 3.97Å; L532-L536 HydrophobicContact CD1-CD1 3.81Å; L532-L536 HydrophobicContact CD1-CG 4.28Å; L532-L536 HydrophobicContact CG-CD1 3.89Å; L532-L536 WeakPolarHBondContact O-CD1 3.31Å; L532-L536 WeakPolarHBondContact O-CG 3.49Å; L532-L536 PolarHBondContact O-N 2.89Å; Y533-L536 PolarHBondContact O-N 3.25Å; Y533-L536 VanDerWaalsContact O-N 3.12Å; E534-L536 VanDerWaalsContact C-N 3.26Å; E534-L536 PolarHBondContact O-N 2.8Å; L536-M565 HydrophobicContact CB-CE 3.97Å; L536-M565 HydrophobicContact CD1-CE 3.86Å; L536-A569 HydrophobicContact CD1-CB 4Å; L536-F600 HydrophobicContact CD1-CE2 4.24Å; L536-F600 HydrophobicContact CD1-CZ 4.18Å
537	A	94.3	Very high	91.9	Very high	15 Å²	15	29.5 Å²	29.5	12%	0.124	17%	0.165	C	C	.	.	H	α-helix	trans	-99.9	-26.5	-174.5	0	0	0	0	0	113	Y533 Q539 P562	Y533-A537 HydrophobicContact CD1-CB 3.99Å; Y533-A537 HydrophobicContact CE1-CB 3.59Å; Y533-A537 HydrophobicContact CE2-CB 4.14Å; Y533-A537 HydrophobicContact CG-CB 4.44Å; Y533-A537 VanDerWaalsContact O-CB 3.24Å; Y533-A537 WeakPolarHBondContact O-CB 3.22Å; Y533-A537 PolarHBondContact O-N 2.94Å; A537-Q539 VanDerWaalsContact C-N 3.29Å; A537-Q539 HydrophobicContact CB-CG 4.15Å; A537-P562 HydrophobicContact CB-CG 4.3Å
538	G	89.6	Confident	91.1	Very high	26 Å²	26	34.4 Å²	34.4	27%	0.268	19%	0.19	S	C	.	.	S	Bend	trans	76.3	13.1	-175.4	0	0	0	0	0	114.5	G437 E534	G437-G538 VanDerWaalsContact O-CA 3.24Å; G437-G538 WeakPolarHBondContact O-CA 3.07Å; E534-G538 VanDerWaalsContact O-CA 3.28Å; E534-G538 WeakPolarHBondContact O-CA 3.11Å; E534-G538 PolarHBondContact O-N 3.12Å
539	Q	89.1	Confident	90.5	Very high	103 Å²	103	38.5 Å²	38.5	48%	0.481	21%	0.209	S	C	.	.	S	Bend	trans	-151.9	156.1	-177.7	64	-175.5	-2.8	0	0	109.1	Y533 A537	Y533-Q539 WeakPolarHBondContact CD1-O 3.45Å; Y533-Q539 HydrophobicContact CE1-CG 4.38Å; Y533-Q539 WeakPolarHBondContact CE1-O 3.38Å; A537-Q539 VanDerWaalsContact C-N 3.29Å; A537-Q539 HydrophobicContact CB-CG 4.15Å
540	P	92.1	Very high	90.1	Very high	47 Å²	47	39.1 Å²	39.1	31%	0.305	21%	0.212	S	C	.	.			trans	-67.9	152.1	178.5	29.6	-36.3	0	0	0	111.7	F542	P540-F542 VanDerWaalsContact C-N 3.34Å; P540-F542 WeakPolarHBondContact CB-O 3.33Å
541	P	93.5	Very high	89.7	Confident	17 Å²	17	40.1 Å²	40.1	11%	0.11	22%	0.217	C	C	.	.	S	Bend	trans	-75	-23.9	179	26.9	-30.3	0	0	0	113.5	V530 Y533 V559 M577	V530-P541 HydrophobicContact CB-CG 4.26Å; V530-P541 HydrophobicContact CG1-CG 3.81Å; V530-P541 HydrophobicContact CG2-CG 4.09Å; Y533-P541 HydrophobicContact CD1-CB 3.57Å; Y533-P541 HydrophobicContact CD1-CG 4Å; Y533-P541 HydrophobicContact CD2-CB 4.39Å; Y533-P541 VanDerWaalsContact CE1-CA 3.4Å; Y533-P541 HydrophobicContact CE1-CB 3.79Å; Y533-P541 HydrophobicContact CG-CB 3.89Å; Y533-P541 HydrophobicContact CG-CG 4.39Å; P541-V559 HydrophobicContact CB-CG1 3.82Å; P541-V559 HydrophobicContact CB-CG2 4.15Å; P541-M577 HydrophobicContact CB-CE 4.49Å; P541-M577 HydrophobicContact CB-SD 3.85Å; P541-M577 HydrophobicContact CG-SD 3.89Å
542	F	94.1	Very high	89.3	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.031	24%	0.239	C	C	.	.	S	Bend	trans	-128.6	147.8	177.5	-50.2	-77.1	0	0	0	108.3	W526 P540 L550 I554 V559 M577	W526-F542 AromaticContact CH2-CE2 3.92Å; W526-F542 HydrophobicContact CH2-CE2 3.92Å; W526-F542 AromaticContact CH2-CZ 3.76Å; W526-F542 HydrophobicContact CH2-CZ 3.76Å; W526-F542 HydrophobicContact CZ2-CD2 4.38Å; W526-F542 AromaticContact CZ2-CE2 3.45Å; W526-F542 HydrophobicContact CZ2-CE2 3.45Å; W526-F542 VanDerWaalsContact CZ2-CE2 3.45Å; W526-F542 AromaticContact CZ2-CZ 3.79Å; W526-F542 HydrophobicContact CZ2-CZ 3.79Å; P540-F542 VanDerWaalsContact C-N 3.34Å; P540-F542 WeakPolarHBondContact CB-O 3.33Å; F542-L550 HydrophobicContact CB-CD1 4.09Å; F542-I554 HydrophobicContact CB-CG1 3.85Å; F542-I554 HydrophobicContact CD1-CG1 4.4Å; F542-I554 HydrophobicContact CD2-CG1 3.77Å; F542-I554 HydrophobicContact CE2-CG1 4.47Å; F542-I554 HydrophobicContact CG-CB 4.48Å; F542-I554 HydrophobicContact CG-CG1 3.74Å; F542-V559 HydrophobicContact CE1-CG2 3.62Å; F542-V559 HydrophobicContact CE2-CG2 4.13Å; F542-V559 HydrophobicContact CZ-CG2 3.35Å; F542-M577 HydrophobicContact CE2-SD 4.4Å
543	D	87.6	Confident	89.1	Confident	120 Å²	120	45.4 Å²	45.4	64%	0.642	24%	0.243	S	C	*	.			trans	-146.2	158.4	-180	-167	11	0	0	0	108.6	S553	D543-S553 VanDerWaalsContact O-CB 3.28Å; D543-S553 WeakPolarHBondContact O-CB 3.28Å; D543-S553 PolarHBondContact O-OG 3.04Å; D543-S553 VanDerWaalsContact O-OG 3.11Å
544	G	80.7	Confident	88.9	Confident	21 Å²	21	45.1 Å²	45.1	22%	0.216	24%	0.242	C	C	.	.			trans	-169.3	149.4	-179.9	0	0	0	0	0	111.2	D546	G544-D546 VanDerWaalsContact C-N 3.26Å; G544-D546 PolarHBondContact O-N 2.9Å
545	E	74.5	Confident	88.7	Confident	139 Å²	139	48.1 Å²	48.1	65%	0.65	26%	0.257	S	S	*	.	S	Bend	trans	-74.1	-21.3	-179.4	-60.7	-167.8	173	0	0	112.8	E549	E545-E549 VanDerWaalsContact CB-OE2 3.31Å; E545-E549 WeakPolarHBondContact CB-OE2 3.29Å; E545-E549 PolarHBondContact N-OE2 3.34Å
546	D	78.8	Confident	88.4	Confident	41 Å²	41	53.8 Å²	53.8	22%	0.219	28%	0.283	C	S	.	.	S	Bend	trans	-141.7	175.3	171	63	42.1	0	0	0	111.8	G544 D548 E549 L550	G544-D546 VanDerWaalsContact C-N 3.26Å; G544-D546 PolarHBondContact O-N 2.9Å; D546-D548 VanDerWaalsContact C-N 3.31Å; D546-D548 PolarHBondContact O-N 3.35Å; D546-D548 PolarHBondContact OD1-N 2.9Å; D546-D548 VanDerWaalsContact OD1-N 3.12Å; D546-E549 PolarHBondContact O-N 3.37Å; D546-E549 PolarHBondContact OD1-N 3.2Å; D546-L550 WeakPolarHBondContact O-CB 3.16Å; D546-L550 PolarHBondContact O-N 2.95Å
547	E	80.5	Confident	88.1	Confident	52 Å²	52	58.4 Å²	58.4	24%	0.243	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-36.9	-177.6	-171.3	179.1	135.8	0	0	112.7	Y125 L550 F551	Y125-E547 HydrophobicContact CD1-CB 4.45Å; Y125-E547 HydrophobicContact CE1-CB 3.92Å; E547-L550 PolarHBondContact O-N 2.8Å; E547-F551 HydrophobicContact CG-CD1 4.33Å; E547-F551 HydrophobicContact CG-CD2 3.96Å; E547-F551 HydrophobicContact CG-CE1 3.81Å; E547-F551 HydrophobicContact CG-CE2 3.39Å; E547-F551 HydrophobicContact CG-CG 4.41Å; E547-F551 HydrophobicContact CG-CZ 3.3Å; E547-F551 VanDerWaalsContact O-CB 3.3Å; E547-F551 WeakPolarHBondContact O-CB 3.49Å; E547-F551 WeakPolarHBondContact O-CD1 3.4Å; E547-F551 WeakPolarHBondContact O-CD2 3.4Å; E547-F551 WeakPolarHBondContact O-CG 3.12Å; E547-F551 PolarHBondContact O-N 2.9Å; E547-F551 WeakPolarHBondContact OE1-CE2 3.49Å; E547-F551 VanDerWaalsContact OE1-CZ 3.25Å; E547-F551 WeakPolarHBondContact OE1-CZ 3.27Å
548	D	80.4	Confident	87.9	Confident	107 Å²	107	66 Å²	66	57%	0.572	34%	0.337	S	S	*	.	H	α-helix	trans	-68.4	-42.6	179.8	-73	-30.7	0	0	0	110.1	D546 F551 Q552	D546-D548 VanDerWaalsContact C-N 3.31Å; D546-D548 PolarHBondContact O-N 3.35Å; D546-D548 PolarHBondContact OD1-N 2.9Å; D546-D548 VanDerWaalsContact OD1-N 3.12Å; D548-F551 PolarHBondContact O-N 3.44Å; D548-Q552 WeakPolarHBondContact O-CB 3.41Å; D548-Q552 PolarHBondContact O-N 2.79Å
549	E	87.7	Confident	88.1	Confident	87 Å²	87	65.7 Å²	65.7	41%	0.407	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-42.3	174.2	-73.3	-173.1	177.2	0	0	112.4	E545 D546 Q552 S553	E545-E549 VanDerWaalsContact CB-OE2 3.31Å; E545-E549 WeakPolarHBondContact CB-OE2 3.29Å; E545-E549 PolarHBondContact N-OE2 3.34Å; D546-E549 PolarHBondContact O-N 3.37Å; D546-E549 PolarHBondContact OD1-N 3.2Å; E549-Q552 PolarHBondContact O-N 2.77Å; E549-S553 WeakPolarHBondContact O-CB 3.11Å; E549-S553 PolarHBondContact O-N 2.96Å
550	L	90	Very high	88.4	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-45.4	175.7	175.2	62.2	0	0	0	110.8	P506 F542 D546 E547 Q552 S553 I554	P506-L550 HydrophobicContact CB-CD2 3.93Å; F542-L550 HydrophobicContact CB-CD1 4.09Å; D546-L550 WeakPolarHBondContact O-CB 3.16Å; D546-L550 PolarHBondContact O-N 2.95Å; E547-L550 PolarHBondContact O-N 2.8Å; L550-Q552 PolarHBondContact O-N 3.45Å; L550-S553 WeakPolarHBondContact O-CA 3.32Å; L550-S553 WeakPolarHBondContact O-CB 3.47Å; L550-S553 PolarHBondContact O-N 3.34Å; L550-S553 VanDerWaalsContact O-N 3.11Å; L550-I554 HydrophobicContact CD1-CD1 4.31Å; L550-I554 HydrophobicContact CG-CD1 4.15Å; L550-I554 WeakPolarHBondContact O-CG1 3.44Å; L550-I554 PolarHBondContact O-N 2.84Å
551	F	89.5	Confident	88.6	Confident	21 Å²	21	65.3 Å²	65.3	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-40.2	177.4	-70.8	-7.5	0	0	0	112	F502 P506 I509 I514 E547 D548 S553 I554 M555	F502-F551 AromaticContact CZ-CE2 3.92Å; F502-F551 HydrophobicContact CZ-CE2 3.92Å; F502-F551 AromaticContact CZ-CZ 4Å; F502-F551 HydrophobicContact CZ-CZ 4Å; P506-F551 HydrophobicContact CB-CE1 4.07Å; I509-F551 HydrophobicContact CG2-CD1 4.2Å; I509-F551 HydrophobicContact CG2-CE1 3.77Å; I514-F551 HydrophobicContact CD1-CB 4.12Å; I514-F551 HydrophobicContact CD1-CD1 3.83Å; I514-F551 HydrophobicContact CD1-CG 4.06Å; I514-F551 HydrophobicContact CG1-CD1 4.17Å; I514-F551 HydrophobicContact CG1-CG 4.25Å; I514-F551 HydrophobicContact CG2-CB 3.85Å; I514-F551 HydrophobicContact CG2-CD2 4.23Å; I514-F551 HydrophobicContact CG2-CG 4.06Å; E547-F551 HydrophobicContact CG-CD1 4.33Å; E547-F551 HydrophobicContact CG-CD2 3.96Å; E547-F551 HydrophobicContact CG-CE1 3.81Å; E547-F551 HydrophobicContact CG-CE2 3.39Å; E547-F551 HydrophobicContact CG-CG 4.41Å; E547-F551 HydrophobicContact CG-CZ 3.3Å; E547-F551 VanDerWaalsContact O-CB 3.3Å; E547-F551 WeakPolarHBondContact O-CB 3.49Å; E547-F551 WeakPolarHBondContact O-CD1 3.4Å; E547-F551 WeakPolarHBondContact O-CD2 3.4Å; E547-F551 WeakPolarHBondContact O-CG 3.12Å; E547-F551 PolarHBondContact O-N 2.9Å; E547-F551 WeakPolarHBondContact OE1-CE2 3.49Å; E547-F551 VanDerWaalsContact OE1-CZ 3.25Å; E547-F551 WeakPolarHBondContact OE1-CZ 3.27Å; D548-F551 PolarHBondContact O-N 3.44Å; F551-S553 VanDerWaalsContact C-N 3.29Å; F551-S553 PolarHBondContact O-N 3.28Å; F551-I554 HydrophobicContact CD1-CD1 4.33Å; F551-I554 PolarHBondContact O-N 2.99Å; F551-M555 WeakPolarHBondContact O-CB 3.5Å; F551-M555 WeakPolarHBondContact O-CG 3.49Å; F551-M555 PolarHBondContact O-N 3Å
552	Q	89.9	Confident	88.6	Confident	99 Å²	99	66.2 Å²	66.2	46%	0.463	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-39.5	171.6	-171.2	177.7	-0.9	0	0	111.3	D548 E549 L550 M555 E556	D548-Q552 WeakPolarHBondContact O-CB 3.41Å; D548-Q552 PolarHBondContact O-N 2.79Å; E549-Q552 PolarHBondContact O-N 2.77Å; L550-Q552 PolarHBondContact O-N 3.45Å; Q552-M555 PolarHBondContact O-N 2.87Å; Q552-E556 HydrophobicContact CG-CG 4.22Å; Q552-E556 WeakPolarHBondContact CG-OE2 3.14Å; Q552-E556 PolarHBondContact NE2-OE2 2.9Å; Q552-E556 WeakPolarHBondContact O-CB 3.36Å; Q552-E556 PolarHBondContact O-N 2.87Å
553	S	92.9	Very high	88.6	Confident	13 Å²	13	76.3 Å²	76.3	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-57.7	-50.3	175.2	-161.6	0	0	0	0	111.6	D543 E549 L550 F551 M555 E556 H557	D543-S553 VanDerWaalsContact O-CB 3.28Å; D543-S553 WeakPolarHBondContact O-CB 3.28Å; D543-S553 PolarHBondContact O-OG 3.04Å; D543-S553 VanDerWaalsContact O-OG 3.11Å; E549-S553 WeakPolarHBondContact O-CB 3.11Å; E549-S553 PolarHBondContact O-N 2.96Å; L550-S553 WeakPolarHBondContact O-CA 3.32Å; L550-S553 WeakPolarHBondContact O-CB 3.47Å; L550-S553 PolarHBondContact O-N 3.34Å; L550-S553 VanDerWaalsContact O-N 3.11Å; F551-S553 VanDerWaalsContact C-N 3.29Å; F551-S553 PolarHBondContact O-N 3.28Å; S553-M555 VanDerWaalsContact C-N 3.32Å; S553-M555 PolarHBondContact O-N 3.24Å; S553-E556 PolarHBondContact O-N 3.34Å; S553-H557 WeakPolarHBondContact CA-ND1 3.35Å; S553-H557 WeakPolarHBondContact O-CB 3.33Å; S553-H557 PolarHBondContact O-N 2.91Å
554	I	93.9	Very high	88.8	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-58.3	-42.7	176	-69	166	0	0	0	111.5	I509 P511 I514 W526 F542 L550 F551 K579	I509-I554 HydrophobicContact CG2-CD1 4.02Å; P511-I554 HydrophobicContact CB-CG2 4.47Å; P511-I554 HydrophobicContact CG-CG2 3.82Å; I514-I554 HydrophobicContact CD1-CB 3.81Å; I514-I554 HydrophobicContact CD1-CD1 3.88Å; I514-I554 HydrophobicContact CD1-CG1 4.46Å; I514-I554 HydrophobicContact CD1-CG2 3.51Å; W526-I554 HydrophobicContact CH2-CG2 4.42Å; W526-I554 HydrophobicContact CZ2-CG2 3.81Å; F542-I554 HydrophobicContact CB-CG1 3.85Å; F542-I554 HydrophobicContact CD1-CG1 4.4Å; F542-I554 HydrophobicContact CD2-CG1 3.77Å; F542-I554 HydrophobicContact CE2-CG1 4.47Å; F542-I554 HydrophobicContact CG-CB 4.48Å; F542-I554 HydrophobicContact CG-CG1 3.74Å; L550-I554 HydrophobicContact CD1-CD1 4.31Å; L550-I554 HydrophobicContact CG-CD1 4.15Å; L550-I554 WeakPolarHBondContact O-CG1 3.44Å; L550-I554 PolarHBondContact O-N 2.84Å; F551-I554 HydrophobicContact CD1-CD1 4.33Å; F551-I554 PolarHBondContact O-N 2.99Å; I554-K579 WeakPolarHBondContact O-CE 3.45Å
555	M	91	Very high	89.5	Confident	72 Å²	72	74.2 Å²	74.2	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-75.8	-36.4	-176.4	-68.7	-62.3	-71.2	0	0	113.4	P511 I514 A515 F551 Q552 S553 K579	P511-M555 HydrophobicContact CB-SD 3.63Å; I514-M555 HydrophobicContact CB-SD 4.25Å; I514-M555 HydrophobicContact CG2-CG 4.08Å; I514-M555 HydrophobicContact CG2-SD 4.35Å; A515-M555 HydrophobicContact CB-CE 4Å; F551-M555 WeakPolarHBondContact O-CB 3.5Å; F551-M555 WeakPolarHBondContact O-CG 3.49Å; F551-M555 PolarHBondContact O-N 3Å; Q552-M555 PolarHBondContact O-N 2.87Å; S553-M555 VanDerWaalsContact C-N 3.32Å; S553-M555 PolarHBondContact O-N 3.24Å; M555-K579 VanDerWaalsContact O-CD 3.29Å; M555-K579 WeakPolarHBondContact O-CD 3.46Å; M555-K579 WeakPolarHBondContact O-CE 3.45Å; M555-K579 PolarHBondContact O-NZ 2.92Å
556	E	89.8	Confident	90.6	Very high	118 Å²	118	68.9 Å²	68.9	55%	0.551	35%	0.35	S	S	*	.	H	α-helix	trans	-112.4	-41.3	-166.9	-63.1	-176.3	169.5	0	0	113.4	Q552 S553 K579	Q552-E556 HydrophobicContact CG-CG 4.22Å; Q552-E556 WeakPolarHBondContact CG-OE2 3.14Å; Q552-E556 PolarHBondContact NE2-OE2 2.9Å; Q552-E556 WeakPolarHBondContact O-CB 3.36Å; Q552-E556 PolarHBondContact O-N 2.87Å; S553-E556 PolarHBondContact O-N 3.34Å; E556-K579 PolarHBondContact O-NZ 3.14Å
557	H	90.9	Very high	91.5	Very high	109 Å²	109	75.7 Å²	75.7	51%	0.505	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-74.4	147.7	-171.8	-69.5	72.4	0	0	0	112.4	S553 K579	S553-H557 WeakPolarHBondContact CA-ND1 3.35Å; S553-H557 WeakPolarHBondContact O-CB 3.33Å; S553-H557 PolarHBondContact O-N 2.91Å; H557-K579 WeakPolarHBondContact O-CE 3.41Å; H557-K579 PolarHBondContact O-NZ 2.79Å
558	H	90.4	Very high	92.4	Very high	175 Å²	175	75.5 Å²	75.5	81%	0.81	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-90.2	130	169.6	-72.4	-67.9	0	0	0	109.2	S560	H558-S560 PolarHBondContact O-N 3.37Å
559	V	94	Very high	93.2	Very high	20 Å²	20	70.4 Å²	70.4	12%	0.121	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-57.2	128.4	177.1	-176.9	0	0	0	0	110	Y533 P541 F542 Y561 M577	Y533-V559 HydrophobicContact CD2-CG1 3.97Å; Y533-V559 HydrophobicContact CE2-CG1 3.64Å; P541-V559 HydrophobicContact CB-CG1 3.82Å; P541-V559 HydrophobicContact CB-CG2 4.15Å; F542-V559 HydrophobicContact CE1-CG2 3.62Å; F542-V559 HydrophobicContact CE2-CG2 4.13Å; F542-V559 HydrophobicContact CZ-CG2 3.35Å; V559-Y561 HydrophobicContact CB-CE2 3.95Å; V559-Y561 HydrophobicContact CG1-CD1 4.46Å; V559-Y561 HydrophobicContact CG1-CE1 3.9Å; V559-Y561 HydrophobicContact CG1-CE2 4.08Å; V559-Y561 VanDerWaalsContact O-CD2 3.31Å; V559-Y561 WeakPolarHBondContact O-CD2 3.47Å; V559-Y561 WeakPolarHBondContact O-CE2 3.35Å; V559-M577 HydrophobicContact CG1-CE 4.04Å; V559-M577 HydrophobicContact CG2-CE 4.25Å; V559-M577 HydrophobicContact CG2-SD 4.09Å
560	S	94.6	Very high	93.7	Very high	92 Å²	92	67.4 Å²	67.4	64%	0.643	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-86.9	132.8	174	-175	0	0	0	0	109.8	Y533 H558	Y533-S560 WeakPolarHBondContact CE2-O 3.03Å; Y533-S560 PolarHBondContact OH-O 3.42Å; H558-S560 PolarHBondContact O-N 3.37Å
561	Y	96	Very high	94.1	Very high	50 Å²	50	69 Å²	69	20%	0.196	35%	0.352	C	S	.	.			trans	-111.5	118.2	-178.1	-62.2	-84.2	0	0	0	110.1	Y533 V559 M565 V570 C573 K574 M577	Y533-Y561 HydrophobicContact CD2-CD1 4.22Å; Y533-Y561 HydrophobicContact CD2-CE1 4.1Å; Y533-Y561 HydrophobicContact CE2-CD1 4.03Å; Y533-Y561 HydrophobicContact CE2-CE1 4.24Å; V559-Y561 HydrophobicContact CB-CE2 3.95Å; V559-Y561 HydrophobicContact CG1-CD1 4.46Å; V559-Y561 HydrophobicContact CG1-CE1 3.9Å; V559-Y561 HydrophobicContact CG1-CE2 4.08Å; V559-Y561 VanDerWaalsContact O-CD2 3.31Å; V559-Y561 WeakPolarHBondContact O-CD2 3.47Å; V559-Y561 WeakPolarHBondContact O-CE2 3.35Å; Y561-M565 HydrophobicContact CD1-CE 4.18Å; Y561-M565 HydrophobicContact CD1-SD 4.01Å; Y561-V570 HydrophobicContact CD1-CB 4.35Å; Y561-V570 HydrophobicContact CD1-CG1 4Å; Y561-V570 HydrophobicContact CD1-CG2 3.98Å; Y561-V570 HydrophobicContact CD2-CG1 4.04Å; Y561-V570 HydrophobicContact CE1-CG1 4.37Å; Y561-V570 HydrophobicContact CE2-CG1 4.43Å; Y561-V570 HydrophobicContact CG-CB 4.48Å; Y561-V570 HydrophobicContact CG-CG1 3.81Å; Y561-V570 HydrophobicContact CG-CG2 4.03Å; Y561-C573 HydrophobicContact CE1-CB 3.65Å; Y561-K574 HydrophobicContact CE1-CG 4.48Å; Y561-K574 HydrophobicContact CE2-CD 4.32Å; Y561-K574 HydrophobicContact CE2-CG 3.76Å; Y561-K574 VanDerWaalsContact OH-CG 3.32Å; Y561-K574 WeakPolarHBondContact OH-CG 3.2Å; Y561-M577 HydrophobicContact CE1-CE 4.23Å
562	P	93.7	Very high	94.6	Very high	36 Å²	36	68 Å²	68	23%	0.234	35%	0.347	C	S	.	.			trans	-57.5	144	176.1	-26.1	33.8	0	0	0	112.5	A537 S564 M565	A537-P562 HydrophobicContact CB-CG 4.3Å; P562-S564 PolarHBondContact O-N 2.86Å; P562-M565 PolarHBondContact O-N 2.92Å
563	K	92.9	Very high	95	Very high	218 Å²	218	63.3 Å²	63.3	95%	0.948	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.3	175.8	-66.9	-175.9	-178.9	178.3	0	113.8	M565	K563-M565 VanDerWaalsContact C-N 3.29Å
564	S	92	Very high	95.2	Very high	78 Å²	78	68.2 Å²	68.2	55%	0.545	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14	176.4	59.9	0	0	0	0	114	K438 P562	K438-S564 PolarHBondContact NZ-OG 3.34Å; P562-S564 PolarHBondContact O-N 2.86Å
565	M	96.6	Very high	95.4	Very high	19 Å²	19	69.1 Å²	69.1	9%	0.094	35%	0.354	C	S	.	.	S	Bend	trans	-80.5	138.8	176.7	-66.6	-178.7	70.7	0	0	110.8	Y533 L536 Y561 P562 K563 A569 V570	Y533-M565 HydrophobicContact CD2-CE 4.47Å; Y533-M565 HydrophobicContact CD2-SD 4.42Å; Y533-M565 HydrophobicContact CE2-SD 4.27Å; L536-M565 HydrophobicContact CB-CE 3.97Å; L536-M565 HydrophobicContact CD1-CE 3.86Å; Y561-M565 HydrophobicContact CD1-CE 4.18Å; Y561-M565 HydrophobicContact CD1-SD 4.01Å; P562-M565 PolarHBondContact O-N 2.92Å; K563-M565 VanDerWaalsContact C-N 3.29Å; M565-A569 HydrophobicContact CB-CB 4.42Å; M565-A569 HydrophobicContact CE-CB 4.07Å; M565-V570 HydrophobicContact CB-CG2 3.72Å; M565-V570 HydrophobicContact CE-CG2 4.36Å; M565-V570 HydrophobicContact SD-CG2 4.46Å
566	S	97.9	Very high	95.8	Very high	28 Å²	28	65.7 Å²	65.7	20%	0.196	34%	0.337	C	S	.	.			trans	-67.9	165.7	175	70.1	0	0	0	0	112.1	E441 E568 A569 V570	E441-S566 PolarHBondContact OE1-OG 3.41Å; E441-S566 VanDerWaalsContact OE1-OG 3.07Å; E441-S566 WeakPolarHBondContact OE2-CB 3.04Å; E441-S566 PolarHBondContact OE2-OG 3.43Å; S566-E568 VanDerWaalsContact C-N 3.25Å; S566-E568 PolarHBondContact O-N 3.31Å; S566-A569 PolarHBondContact O-N 3.03Å; S566-A569 VanDerWaalsContact OG-CB 3.23Å; S566-A569 WeakPolarHBondContact OG-CB 3.13Å; S566-A569 PolarHBondContact OG-N 2.98Å; S566-V570 WeakPolarHBondContact O-CG2 3.41Å; S566-V570 PolarHBondContact O-N 3.06Å
567	K	97.9	Very high	96.2	Very high	184 Å²	184	60.7 Å²	60.7	80%	0.8	31%	0.314	S	S	*	.	H	α-helix	trans	-62.4	-39.2	177.2	-67.2	-179.9	-179.5	176.9	0	110.8	A571	K567-A571 VanDerWaalsContact O-CB 3.31Å; K567-A571 WeakPolarHBondContact O-CB 3.44Å; K567-A571 PolarHBondContact O-N 3.12Å
568	E	98.1	Very high	96.5	Very high	48 Å²	48	57.6 Å²	57.6	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-43.3	179.8	-63.1	87.3	158	0	0	111.6	S566 A571 I572 R602	S566-E568 VanDerWaalsContact C-N 3.25Å; S566-E568 PolarHBondContact O-N 3.31Å; E568-A571 PolarHBondContact O-N 3.32Å; E568-I572 PolarHBondContact O-N 2.81Å; E568-R602 IonicContact OE1-CZ 3.17Å; E568-R602 VanDerWaalsContact OE1-CZ 3.25Å; E568-R602 IonicContact OE1-NH1 2.9Å; E568-R602 PolarHBondContact OE1-NH1 2.81Å; E568-R602 IonicContact OE1-NH2 2.7Å; E568-R602 PolarHBondContact OE1-NH2 3.48Å
569	A	98.3	Very high	96.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-46.3	173.6	0	0	0	0	0	112.3	L536 M565 S566 A571 I572 C573 F600	L536-A569 HydrophobicContact CD1-CB 4Å; M565-A569 HydrophobicContact CB-CB 4.42Å; M565-A569 HydrophobicContact CE-CB 4.07Å; S566-A569 PolarHBondContact O-N 3.03Å; S566-A569 VanDerWaalsContact OG-CB 3.23Å; S566-A569 WeakPolarHBondContact OG-CB 3.13Å; S566-A569 PolarHBondContact OG-N 2.98Å; A569-A571 VanDerWaalsContact C-N 3.33Å; A569-A571 PolarHBondContact O-N 2.81Å; A569-I572 VanDerWaalsContact O-CG2 3.24Å; A569-I572 WeakPolarHBondContact O-CG2 3.49Å; A569-C573 WeakPolarHBondContact O-CB 3.17Å; A569-C573 PolarHBondContact O-N 2.61Å; A569-C573 VanDerWaalsContact O-N 3.17Å; A569-C573 PolarHBondContact O-SG 2.75Å; A569-C573 VanDerWaalsContact O-SG 3.38Å; A569-F600 HydrophobicContact CB-CD2 4.18Å; A569-F600 HydrophobicContact CB-CE2 3.89Å
570	V	98.4	Very high	96.9	Very high	24 Å²	24	56.7 Å²	56.7	15%	0.145	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-39.1	176.8	173.9	0	0	0	0	111.2	Y561 M565 S566 K574	Y561-V570 HydrophobicContact CD1-CB 4.35Å; Y561-V570 HydrophobicContact CD1-CG1 4Å; Y561-V570 HydrophobicContact CD1-CG2 3.98Å; Y561-V570 HydrophobicContact CD2-CG1 4.04Å; Y561-V570 HydrophobicContact CE1-CG1 4.37Å; Y561-V570 HydrophobicContact CE2-CG1 4.43Å; Y561-V570 HydrophobicContact CG-CB 4.48Å; Y561-V570 HydrophobicContact CG-CG1 3.81Å; Y561-V570 HydrophobicContact CG-CG2 4.03Å; M565-V570 HydrophobicContact CB-CG2 3.72Å; M565-V570 HydrophobicContact CE-CG2 4.36Å; M565-V570 HydrophobicContact SD-CG2 4.46Å; S566-V570 WeakPolarHBondContact O-CG2 3.41Å; S566-V570 PolarHBondContact O-N 3.06Å; V570-K574 HydrophobicContact CG1-CD 3.96Å; V570-K574 HydrophobicContact CG1-CG 4.31Å; V570-K574 WeakPolarHBondContact O-CB 3.05Å; V570-K574 VanDerWaalsContact O-CG 3.3Å; V570-K574 WeakPolarHBondContact O-CG 3.32Å; V570-K574 PolarHBondContact O-N 3.24Å
571	A	98.5	Very high	97	Very high	45 Å²	45	53.7 Å²	53.7	37%	0.372	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-47.1	179.9	0	0	0	0	0	112.2	K567 E568 A569 K574 G575	K567-A571 VanDerWaalsContact O-CB 3.31Å; K567-A571 WeakPolarHBondContact O-CB 3.44Å; K567-A571 PolarHBondContact O-N 3.12Å; E568-A571 PolarHBondContact O-N 3.32Å; A569-A571 VanDerWaalsContact C-N 3.33Å; A569-A571 PolarHBondContact O-N 2.81Å; A571-K574 PolarHBondContact O-N 2.75Å; A571-G575 PolarHBondContact O-N 3.35Å
572	I	98.7	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-44.9	179.3	-166.5	166.1	0	0	0	111.5	L532 E568 A569 K574 G575 L576 L585 H598 F600 F601	L532-I572 HydrophobicContact CD2-CD1 4.21Å; L532-I572 HydrophobicContact CD2-CG1 4.32Å; L532-I572 HydrophobicContact CD2-CG2 3.67Å; E568-I572 PolarHBondContact O-N 2.81Å; A569-I572 VanDerWaalsContact O-CG2 3.24Å; A569-I572 WeakPolarHBondContact O-CG2 3.49Å; I572-K574 VanDerWaalsContact C-N 3.31Å; I572-K574 PolarHBondContact O-N 3.23Å; I572-G575 PolarHBondContact O-N 3.17Å; I572-G575 VanDerWaalsContact O-N 3.13Å; I572-L576 HydrophobicContact CD1-CD1 4.37Å; I572-L576 HydrophobicContact CG1-CD1 3.77Å; I572-L576 HydrophobicContact CG1-CG 4.29Å; I572-L576 WeakPolarHBondContact O-CG 3.39Å; I572-L576 PolarHBondContact O-N 3.27Å; I572-L585 HydrophobicContact CG1-CD2 4Å; I572-H598 VanDerWaalsContact CB-CE1 3.41Å; I572-H598 WeakPolarHBondContact CB-CE1 3.49Å; I572-H598 PolarHBondContact N-CE1 3.17Å; I572-F600 HydrophobicContact CB-CB 4.03Å; I572-F600 HydrophobicContact CB-CG 4.31Å; I572-F600 HydrophobicContact CD1-CB 3.9Å; I572-F600 HydrophobicContact CD1-CD1 3.75Å; I572-F600 HydrophobicContact CD1-CG 4.09Å; I572-F600 HydrophobicContact CG2-CB 3.91Å; I572-F600 HydrophobicContact CG2-CD1 4Å; I572-F600 HydrophobicContact CG2-CD2 3.88Å; I572-F600 HydrophobicContact CG2-CE1 4.48Å; I572-F600 HydrophobicContact CG2-CE2 4.38Å; I572-F600 HydrophobicContact CG2-CG 3.66Å; I572-F601 HydrophobicContact CD1-CD2 4.02Å; I572-F601 HydrophobicContact CD1-CE2 3.36Å; I572-F601 HydrophobicContact CD1-CZ 4.02Å
573	C	98.5	Very high	97	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.2	-41.5	177.5	-76.2	0	0	0	0	111.6	Y561 A569 L576 M577	Y561-C573 HydrophobicContact CE1-CB 3.65Å; A569-C573 WeakPolarHBondContact O-CB 3.17Å; A569-C573 PolarHBondContact O-N 2.61Å; A569-C573 VanDerWaalsContact O-N 3.17Å; A569-C573 PolarHBondContact O-SG 2.75Å; A569-C573 VanDerWaalsContact O-SG 3.38Å; C573-L576 PolarHBondContact O-N 2.96Å; C573-M577 HydrophobicContact CB-CE 3.62Å; C573-M577 VanDerWaalsContact O-CB 3.31Å; C573-M577 WeakPolarHBondContact O-CB 3.22Å; C573-M577 PolarHBondContact O-N 3.28Å
574	K	98.1	Very high	97.2	Very high	116 Å²	116	51.4 Å²	51.4	50%	0.504	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-41.4	175.4	-78.1	179.4	176.7	-178.8	0	112.5	Y561 V570 A571 I572 T578	Y561-K574 HydrophobicContact CE1-CG 4.48Å; Y561-K574 HydrophobicContact CE2-CD 4.32Å; Y561-K574 HydrophobicContact CE2-CG 3.76Å; Y561-K574 VanDerWaalsContact OH-CG 3.32Å; Y561-K574 WeakPolarHBondContact OH-CG 3.2Å; V570-K574 HydrophobicContact CG1-CD 3.96Å; V570-K574 HydrophobicContact CG1-CG 4.31Å; V570-K574 WeakPolarHBondContact O-CB 3.05Å; V570-K574 VanDerWaalsContact O-CG 3.3Å; V570-K574 WeakPolarHBondContact O-CG 3.32Å; V570-K574 PolarHBondContact O-N 3.24Å; A571-K574 PolarHBondContact O-N 2.75Å; I572-K574 VanDerWaalsContact C-N 3.31Å; I572-K574 PolarHBondContact O-N 3.23Å; K574-T578 PolarHBondContact O-N 3.02Å; K574-T578 PolarHBondContact O-OG1 3.39Å
575	G	98.1	Very high	97.5	Very high	19 Å²	19	49.1 Å²	49.1	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-44.7	177.7	0	0	0	0	0	112.5	A571 I572 T578 R584 L585	A571-G575 PolarHBondContact O-N 3.35Å; I572-G575 PolarHBondContact O-N 3.17Å; I572-G575 VanDerWaalsContact O-N 3.13Å; G575-T578 PolarHBondContact O-OG1 3.07Å; G575-R584 WeakPolarHBondContact O-CG 3.26Å; G575-L585 PolarHBondContact O-N 2.97Å
576	L	98.6	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-74.4	-41.5	-179.4	-66.2	167.5	0	0	0	112.7	W525 F528 L532 I572 C573 T578 R584 L585	W525-L576 HydrophobicContact CB-CD2 4.23Å; W525-L576 HydrophobicContact CE3-CD2 4.38Å; F528-L576 HydrophobicContact CD1-CD1 3.55Å; F528-L576 HydrophobicContact CD1-CD2 4.03Å; F528-L576 HydrophobicContact CD1-CG 4.43Å; F528-L576 HydrophobicContact CE1-CD1 3.84Å; L532-L576 HydrophobicContact CD2-CD1 4.21Å; I572-L576 HydrophobicContact CD1-CD1 4.37Å; I572-L576 HydrophobicContact CG1-CD1 3.77Å; I572-L576 HydrophobicContact CG1-CG 4.29Å; I572-L576 WeakPolarHBondContact O-CG 3.39Å; I572-L576 PolarHBondContact O-N 3.27Å; C573-L576 PolarHBondContact O-N 2.96Å; L576-T578 PolarHBondContact O-N 3.23Å; L576-R584 WeakPolarHBondContact O-CD 3.31Å; L576-R584 WeakPolarHBondContact O-CG 3.39Å; L576-R584 PolarHBondContact O-NE 3.22Å; L576-L585 HydrophobicContact CD2-CB 4.17Å; L576-L585 HydrophobicContact CD2-CD2 4.21Å; L576-L585 HydrophobicContact CD2-CG 4.35Å; L576-L585 HydrophobicContact CG-CB 4.48Å; L576-L585 HydrophobicContact CG-CD2 4.19Å
577	M	98.3	Very high	97.3	Very high	13 Å²	13	48.5 Å²	48.5	6%	0.064	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	30.7	177.2	-62.2	-176.1	-75.8	0	0	112.6	W526 V530 Y533 P541 F542 V559 Y561 C573 K579	W526-M577 HydrophobicContact CE3-CB 4.41Å; W526-M577 HydrophobicContact CH2-CB 4.37Å; W526-M577 HydrophobicContact CZ3-CB 4.1Å; W526-M577 VanDerWaalsContact CZ3-O 3.31Å; W526-M577 WeakPolarHBondContact CZ3-O 3.38Å; V530-M577 HydrophobicContact CG2-CG 4.46Å; V530-M577 HydrophobicContact CG2-SD 4.23Å; Y533-M577 HydrophobicContact CD2-CE 3.99Å; Y533-M577 HydrophobicContact CG-CE 4.15Å; P541-M577 HydrophobicContact CB-CE 4.49Å; P541-M577 HydrophobicContact CB-SD 3.85Å; P541-M577 HydrophobicContact CG-SD 3.89Å; F542-M577 HydrophobicContact CE2-SD 4.4Å; V559-M577 HydrophobicContact CG1-CE 4.04Å; V559-M577 HydrophobicContact CG2-CE 4.25Å; V559-M577 HydrophobicContact CG2-SD 4.09Å; Y561-M577 HydrophobicContact CE1-CE 4.23Å; C573-M577 HydrophobicContact CB-CE 3.62Å; C573-M577 VanDerWaalsContact O-CB 3.31Å; C573-M577 WeakPolarHBondContact O-CB 3.22Å; C573-M577 PolarHBondContact O-N 3.28Å; M577-K579 PolarHBondContact O-N 2.85Å
578	T	98.1	Very high	97	Very high	44 Å²	44	40.9 Å²	40.9	27%	0.27	23%	0.23	S	C	.	.			trans	-75.4	122.2	169.2	-72.4	0	0	0	0	109.3	K574 G575 L576 H580 K583 R584	K574-T578 PolarHBondContact O-N 3.02Å; K574-T578 PolarHBondContact O-OG1 3.39Å; G575-T578 PolarHBondContact O-OG1 3.07Å; L576-T578 PolarHBondContact O-N 3.23Å; T578-H580 VanDerWaalsContact C-N 3.31Å; T578-H580 PolarHBondContact O-N 3.2Å; T578-K583 HydrophobicContact CG2-CB 4.17Å; T578-R584 PolarHBondContact O-NE 3.02Å; T578-R584 PolarHBondContact O-NH2 2.79Å; T578-R584 VanDerWaalsContact O-NH2 3.08Å
579	K	96.4	Very high	96.5	Very high	62 Å²	62	44.7 Å²	44.7	27%	0.27	26%	0.258	S	S	.	.	S	Bend	trans	-61.5	-36.6	-173.2	-64	-177.7	-177.8	175.9	0	113.7	P511 W526 I554 M555 E556 H557 M577 P581 R584	P511-K579 HydrophobicContact CG-CB 4.27Å; P511-K579 HydrophobicContact CG-CG 4.25Å; W526-K579 HydrophobicContact CH2-CG 4.32Å; W526-K579 HydrophobicContact CZ3-CG 4.3Å; I554-K579 WeakPolarHBondContact O-CE 3.45Å; M555-K579 VanDerWaalsContact O-CD 3.29Å; M555-K579 WeakPolarHBondContact O-CD 3.46Å; M555-K579 WeakPolarHBondContact O-CE 3.45Å; M555-K579 PolarHBondContact O-NZ 2.92Å; E556-K579 PolarHBondContact O-NZ 3.14Å; H557-K579 WeakPolarHBondContact O-CE 3.41Å; H557-K579 PolarHBondContact O-NZ 2.79Å; M577-K579 PolarHBondContact O-N 2.85Å; K579-P581 WeakPolarHBondContact O-CD 3.48Å; K579-R584 PolarHBondContact O-NH2 3.06Å; K579-R584 VanDerWaalsContact O-NH2 3.14Å
580	H	96	Very high	96.3	Very high	114 Å²	114	49.5 Å²	49.5	53%	0.528	28%	0.281	S	S	.	.	S	Bend	trans	-84	115.6	178.7	-167.6	-68.3	0	0	0	110.8	T578 A582 K583 R584	T578-H580 VanDerWaalsContact C-N 3.31Å; T578-H580 PolarHBondContact O-N 3.2Å; H580-A582 VanDerWaalsContact C-N 3.35Å; H580-A582 PolarHBondContact ND1-N 3.38Å; H580-A582 PolarHBondContact O-N 3.42Å; H580-K583 PolarHBondContact O-N 3.45Å; H580-K583 VanDerWaalsContact O-N 3.11Å; H580-R584 PolarHBondContact O-N 3.12Å
581	P	96.3	Very high	96	Very high	29 Å²	29	48.5 Å²	48.5	19%	0.188	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.1	-38.4	-171.3	21.6	-32.7	0	0	0	113.4	E512 K579 K583 R584 C587	E512-P581 HydrophobicContact CB-CG 4.43Å; K579-P581 WeakPolarHBondContact O-CD 3.48Å; P581-K583 PolarHBondContact O-N 2.87Å; P581-K583 VanDerWaalsContact O-N 3.1Å; P581-R584 VanDerWaalsContact O-CB 3.27Å; P581-R584 WeakPolarHBondContact O-CB 3.37Å; P581-R584 PolarHBondContact O-N 3.43Å; P581-C587 VanDerWaalsContact O-CB 3.27Å; P581-C587 WeakPolarHBondContact O-CB 3.4Å
582	A	93.8	Very high	95.9	Very high	79 Å²	79	50.1 Å²	50.1	65%	0.653	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-65.4	-15.6	-179.8	0	0	0	0	0	115.2	H580	H580-A582 VanDerWaalsContact C-N 3.35Å; H580-A582 PolarHBondContact ND1-N 3.38Å; H580-A582 PolarHBondContact O-N 3.42Å
583	K	95.8	Very high	95.8	Very high	172 Å²	172	56.6 Å²	56.6	75%	0.748	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-108.4	1.9	176.8	-64.6	-174	179.6	-179.4	0	112.4	T578 H580 P581	T578-K583 HydrophobicContact CG2-CB 4.17Å; H580-K583 PolarHBondContact O-N 3.45Å; H580-K583 VanDerWaalsContact O-N 3.11Å; P581-K583 PolarHBondContact O-N 2.87Å; P581-K583 VanDerWaalsContact O-N 3.1Å
584	R	98.1	Very high	95.8	Very high	5 Å²	5	60 Å²	60	2%	0.019	32%	0.318	C	S	.	.	S	Bend	trans	-78.3	139.8	-176.7	-172	-179.6	-64	150.8	4.9	109.8	E512 S522 G575 L576 T578 K579 H580 P581 G586 C587	E512-R584 IonicContact OE1-CZ 3.25Å; E512-R584 IonicContact OE1-NH1 2.74Å; E512-R584 PolarHBondContact OE1-NH1 2.73Å; E512-R584 IonicContact OE1-NH2 2.83Å; E512-R584 IonicContact OE2-CZ 2.88Å; E512-R584 IonicContact OE2-NH1 3.63Å; E512-R584 PolarHBondContact OE2-NH1 2.99Å; E512-R584 IonicContact OE2-NH2 3.88Å; E512-R584 PolarHBondContact OE2-NH2 2.63Å; S522-R584 PolarHBondContact O-NH1 2.84Å; G575-R584 WeakPolarHBondContact O-CG 3.26Å; L576-R584 WeakPolarHBondContact O-CD 3.31Å; L576-R584 WeakPolarHBondContact O-CG 3.39Å; L576-R584 PolarHBondContact O-NE 3.22Å; T578-R584 PolarHBondContact O-NE 3.02Å; T578-R584 PolarHBondContact O-NH2 2.79Å; T578-R584 VanDerWaalsContact O-NH2 3.08Å; K579-R584 PolarHBondContact O-NH2 3.06Å; K579-R584 VanDerWaalsContact O-NH2 3.14Å; H580-R584 PolarHBondContact O-N 3.12Å; P581-R584 VanDerWaalsContact O-CB 3.27Å; P581-R584 WeakPolarHBondContact O-CB 3.37Å; P581-R584 PolarHBondContact O-N 3.43Å; R584-G586 PolarHBondContact O-N 2.91Å; R584-C587 HydrophobicContact CB-CB 4.48Å; R584-C587 WeakPolarHBondContact O-CB 3.33Å; R584-C587 PolarHBondContact O-N 3.01Å
585	L	98.1	Very high	95.8	Very high	31 Å²	31	54.5 Å²	54.5	16%	0.162	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137.4	174	-176.1	66	0	0	0	109.7	I572 G575 L576 C587 D594 I595	I572-L585 HydrophobicContact CG1-CD2 4Å; G575-L585 PolarHBondContact O-N 2.97Å; L576-L585 HydrophobicContact CD2-CB 4.17Å; L576-L585 HydrophobicContact CD2-CD2 4.21Å; L576-L585 HydrophobicContact CD2-CG 4.35Å; L576-L585 HydrophobicContact CG-CB 4.48Å; L576-L585 HydrophobicContact CG-CD2 4.19Å; L585-C587 VanDerWaalsContact C-N 3.33Å; L585-D594 HydrophobicContact CD1-CB 3.8Å; L585-I595 HydrophobicContact CD1-CG1 4.47Å; L585-I595 HydrophobicContact CD2-CG1 4.26Å; L585-I595 HydrophobicContact CG-CG1 3.91Å
586	G	95.2	Very high	95.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.01	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-8.3	-176.8	0	0	0	0	0	115.7	W525 R584	W525-G586 PolarHBondContact NE1-O 3.38Å; R584-G586 PolarHBondContact O-N 2.91Å
587	C	94.7	Very high	95.7	Very high	32 Å²	32	62.6 Å²	62.6	22%	0.216	32%	0.324	C	S	.	.			trans	-98.6	-8.8	-177.5	-59.8	0	0	0	0	114.2	S522 P581 R584 L585	S522-C587 VanDerWaalsContact CA-SG 3.51Å; S522-C587 WeakPolarHBondContact CB-SG 3.19Å; P581-C587 VanDerWaalsContact O-CB 3.27Å; P581-C587 WeakPolarHBondContact O-CB 3.4Å; R584-C587 HydrophobicContact CB-CB 4.48Å; R584-C587 WeakPolarHBondContact O-CB 3.33Å; R584-C587 PolarHBondContact O-N 3.01Å; L585-C587 VanDerWaalsContact C-N 3.33Å
588	G	90.4	Very high	95.7	Very high	25 Å²	25	63.7 Å²	63.7	26%	0.258	33%	0.329	S	S	.	.	S	Bend	trans	-73.1	171.2	173.4	0	0	0	0	0	112.8	E590 G591	G588-E590 PolarHBondContact O-N 3Å; G588-G591 WeakPolarHBondContact O-CA 3.24Å; G588-G591 PolarHBondContact O-N 3.05Å
589	P	88.5	Confident	95.7	Very high	127 Å²	127	64.9 Å²	64.9	83%	0.825	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.4	174.9	23.6	-31.8	0	0	0	112.2	G591	P589-G591 VanDerWaalsContact C-N 3.29Å; P589-G591 PolarHBondContact O-N 3.11Å
590	E	93.2	Very high	95.8	Very high	102 Å²	102	62.3 Å²	62.3	48%	0.477	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	23.3	174.5	-60.8	-63.8	126	0	0	112.1	G588 E592 R593 D594	G588-E590 PolarHBondContact O-N 3Å; E590-E592 VanDerWaalsContact C-N 3.28Å; E590-E592 PolarHBondContact O-N 2.76Å; E590-E592 VanDerWaalsContact O-N 3.13Å; E590-R593 HydrophobicContact CB-CB 4.36Å; E590-R593 WeakPolarHBondContact O-CA 3.46Å; E590-R593 WeakPolarHBondContact O-CB 3.4Å; E590-R593 PolarHBondContact O-N 2.83Å; E590-D594 PolarHBondContact O-N 2.85Å
591	G	93.3	Very high	96	Very high	3 Å²	3	57 Å²	57	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-56	-36.8	-168.1	0	0	0	0	0	114.8	G588 P589 I595	G588-G591 WeakPolarHBondContact O-CA 3.24Å; G588-G591 PolarHBondContact O-N 3.05Å; P589-G591 VanDerWaalsContact C-N 3.29Å; P589-G591 PolarHBondContact O-N 3.11Å; G591-I595 WeakPolarHBondContact O-CG1 3.46Å; G591-I595 PolarHBondContact O-N 2.81Å
592	E	95.9	Very high	96	Very high	78 Å²	78	61.8 Å²	61.8	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-46.3	174.3	173.2	168	-180	0	0	112	F456 E590 I595 R596	F456-E592 HydrophobicContact CD1-CB 3.86Å; F456-E592 HydrophobicContact CD1-CG 3.65Å; F456-E592 HydrophobicContact CD2-CG 4.02Å; F456-E592 HydrophobicContact CE1-CB 3.8Å; F456-E592 HydrophobicContact CE1-CG 3.69Å; F456-E592 HydrophobicContact CE2-CG 4.06Å; F456-E592 HydrophobicContact CG-CG 3.85Å; F456-E592 HydrophobicContact CZ-CB 4.41Å; F456-E592 HydrophobicContact CZ-CG 3.9Å; E590-E592 VanDerWaalsContact C-N 3.28Å; E590-E592 PolarHBondContact O-N 2.76Å; E590-E592 VanDerWaalsContact O-N 3.13Å; E592-I595 PolarHBondContact O-N 2.84Å; E592-R596 HydrophobicContact CG-CG 4.4Å; E592-R596 WeakPolarHBondContact O-CG 3.15Å; E592-R596 PolarHBondContact O-N 2.69Å; E592-R596 IonicContact OE1-CZ 3.32Å; E592-R596 IonicContact OE1-NE 3.33Å; E592-R596 PolarHBondContact OE1-NE 2.91Å; E592-R596 IonicContact OE1-NH2 2.7Å; E592-R596 PolarHBondContact OE1-NH2 2.89Å
593	R	97.1	Very high	95.9	Very high	136 Å²	136	67.4 Å²	67.4	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-44.6	177.8	-175.9	-177.3	-176.4	176.7	1.5	111.4	E590 I595 R596 E597	E590-R593 HydrophobicContact CB-CB 4.36Å; E590-R593 WeakPolarHBondContact O-CA 3.46Å; E590-R593 WeakPolarHBondContact O-CB 3.4Å; E590-R593 PolarHBondContact O-N 2.83Å; R593-I595 PolarHBondContact O-N 2.98Å; R593-R596 PolarHBondContact O-N 3.33Å; R593-E597 HydrophobicContact CG-CG 4.12Å; R593-E597 WeakPolarHBondContact CG-OE1 3.45Å; R593-E597 IonicContact CZ-OE1 3.47Å; R593-E597 IonicContact NE-OE1 2.78Å; R593-E597 PolarHBondContact NE-OE1 2.88Å; R593-E597 IonicContact NE-OE2 3.29Å; R593-E597 PolarHBondContact NE-OE2 2.85Å; R593-E597 IonicContact NH2-OE1 3.25Å; R593-E597 PolarHBondContact NH2-OE1 2.9Å; R593-E597 IonicContact NH2-OE2 3.99Å; R593-E597 WeakPolarHBondContact O-CB 3.34Å; R593-E597 PolarHBondContact O-N 2.98Å
594	D	97.4	Very high	96	Very high	72 Å²	72	60.6 Å²	60.6	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-58	-37.3	178.8	-67.7	-25.3	0	0	0	111.9	L585 E590 H598	L585-D594 HydrophobicContact CD1-CB 3.8Å; E590-D594 PolarHBondContact O-N 2.85Å; D594-H598 PolarHBondContact O-N 2.88Å
595	I	98.2	Very high	95.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-74.3	-48.5	175.5	-68.8	171.1	0	0	0	110.5	F456 W525 L585 G591 E592 R593 E597 H598 F601	F456-I595 HydrophobicContact CE1-CB 4.4Å; F456-I595 HydrophobicContact CE1-CD1 4.18Å; F456-I595 HydrophobicContact CZ-CB 3.95Å; F456-I595 HydrophobicContact CZ-CD1 4.45Å; F456-I595 HydrophobicContact CZ-CG2 3.79Å; W525-I595 HydrophobicContact CD2-CD1 3.57Å; W525-I595 HydrophobicContact CE3-CD1 3.42Å; W525-I595 VanDerWaalsContact CE3-CD1 3.42Å; W525-I595 HydrophobicContact CG-CD1 4.43Å; W525-I595 HydrophobicContact CH2-CD1 3.61Å; W525-I595 HydrophobicContact CZ2-CD1 3.71Å; W525-I595 HydrophobicContact CZ3-CD1 3.46Å; W525-I595 VanDerWaalsContact CZ3-CD1 3.46Å; L585-I595 HydrophobicContact CD1-CG1 4.47Å; L585-I595 HydrophobicContact CD2-CG1 4.26Å; L585-I595 HydrophobicContact CG-CG1 3.91Å; G591-I595 WeakPolarHBondContact O-CG1 3.46Å; G591-I595 PolarHBondContact O-N 2.81Å; E592-I595 PolarHBondContact O-N 2.84Å; R593-I595 PolarHBondContact O-N 2.98Å; I595-E597 VanDerWaalsContact C-N 3.32Å; I595-E597 PolarHBondContact O-N 2.83Å; I595-H598 WeakPolarHBondContact O-CB 3.17Å; I595-H598 PolarHBondContact O-N 3.33Å; I595-F601 HydrophobicContact CG2-CE2 3.95Å; I595-F601 VanDerWaalsContact O-CD2 3.27Å; I595-F601 WeakPolarHBondContact O-CD2 3.15Å
596	R	98.1	Very high	95.9	Very high	64 Å²	64	63.3 Å²	63.3	24%	0.242	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-39.4	-177.6	-73.1	-177.4	-178.4	-121.9	6.3	113	F456 E592 R593 W606	F456-R596 HydrophobicContact CE2-CG 3.92Å; F456-R596 HydrophobicContact CZ-CG 4.22Å; E592-R596 HydrophobicContact CG-CG 4.4Å; E592-R596 WeakPolarHBondContact O-CG 3.15Å; E592-R596 PolarHBondContact O-N 2.69Å; E592-R596 IonicContact OE1-CZ 3.32Å; E592-R596 IonicContact OE1-NE 3.33Å; E592-R596 PolarHBondContact OE1-NE 2.91Å; E592-R596 IonicContact OE1-NH2 2.7Å; E592-R596 PolarHBondContact OE1-NH2 2.89Å; R593-R596 PolarHBondContact O-N 3.33Å; R596-W606 HydrophobicContact CB-CD2 4.4Å; R596-W606 HydrophobicContact CB-CZ2 4.16Å; R596-W606 HydrophobicContact CG-CD2 3.89Å; R596-W606 HydrophobicContact CG-CE3 4.27Å; R596-W606 HydrophobicContact CG-CG 4.32Å; R596-W606 HydrophobicContact CG-CH2 4.4Å; R596-W606 HydrophobicContact CG-CZ2 4.04Å; R596-W606 HydrophobicContact CG-CZ3 4.5Å; R596-W606 PolarHBondContact O-NE1 3.31Å
597	E	97.8	Very high	95.9	Very high	125 Å²	125	70 Å²	70	58%	0.584	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.8	-178.8	-65.4	-176.9	177.8	0	0	113.3	R593 I595 S599	R593-E597 HydrophobicContact CG-CG 4.12Å; R593-E597 WeakPolarHBondContact CG-OE1 3.45Å; R593-E597 IonicContact CZ-OE1 3.47Å; R593-E597 IonicContact NE-OE1 2.78Å; R593-E597 PolarHBondContact NE-OE1 2.88Å; R593-E597 IonicContact NE-OE2 3.29Å; R593-E597 PolarHBondContact NE-OE2 2.85Å; R593-E597 IonicContact NH2-OE1 3.25Å; R593-E597 PolarHBondContact NH2-OE1 2.9Å; R593-E597 IonicContact NH2-OE2 3.99Å; R593-E597 WeakPolarHBondContact O-CB 3.34Å; R593-E597 PolarHBondContact O-N 2.98Å; I595-E597 VanDerWaalsContact C-N 3.32Å; I595-E597 PolarHBondContact O-N 2.83Å; E597-S599 PolarHBondContact O-N 3.37Å
598	H	98.6	Very high	96	Very high	36 Å²	36	73.2 Å²	73.2	17%	0.167	35%	0.349	C	S	.	.	S	Bend	trans	-60.2	138.1	180	-170.3	-84.9	0	0	0	111.1	I572 D594 I595 F600 F601	I572-H598 VanDerWaalsContact CB-CE1 3.41Å; I572-H598 WeakPolarHBondContact CB-CE1 3.49Å; I572-H598 PolarHBondContact N-CE1 3.17Å; D594-H598 PolarHBondContact O-N 2.88Å; I595-H598 WeakPolarHBondContact O-CB 3.17Å; I595-H598 PolarHBondContact O-N 3.33Å; H598-F600 WeakPolarHBondContact ND1-CB 3.41Å; H598-F600 PolarHBondContact ND1-N 2.93Å; H598-F600 VanDerWaalsContact ND1-N 3.17Å; H598-F600 PolarHBondContact O-N 2.85Å; H598-F601 PolarHBondContact O-N 3.26Å
599	S	98.1	Very high	96.3	Very high	69 Å²	69	72 Å²	72	48%	0.483	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-54.4	-20	-176.2	-58.8	0	0	0	0	115.5	E597 F601 R602	E597-S599 PolarHBondContact O-N 3.37Å; S599-F601 VanDerWaalsContact C-N 3.32Å; S599-R602 WeakPolarHBondContact O-CB 3.28Å; S599-R602 VanDerWaalsContact O-CG 3.3Å; S599-R602 WeakPolarHBondContact O-CG 3.47Å; S599-R602 PolarHBondContact O-N 3.31Å
600	F	98.5	Very high	96.6	Very high	8 Å²	8	69.7 Å²	69.7	4%	0.035	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-65	-34.8	173.4	-174.9	-107.9	0	0	0	112.3	E441 V445 L532 L536 A569 I572 H598	E441-F600 HydrophobicContact CG-CE2 4Å; V445-F600 HydrophobicContact CB-CE1 4.2Å; V445-F600 HydrophobicContact CB-CZ 4.29Å; V445-F600 HydrophobicContact CG2-CD1 4.08Å; V445-F600 HydrophobicContact CG2-CD2 4.18Å; V445-F600 HydrophobicContact CG2-CE1 3.56Å; V445-F600 HydrophobicContact CG2-CE2 3.67Å; V445-F600 HydrophobicContact CG2-CG 4.37Å; V445-F600 HydrophobicContact CG2-CZ 3.33Å; L532-F600 HydrophobicContact CD1-CE1 3.88Å; L532-F600 HydrophobicContact CD1-CZ 3.82Å; L532-F600 HydrophobicContact CD2-CD1 4.46Å; L532-F600 HydrophobicContact CD2-CE1 3.98Å; L532-F600 HydrophobicContact CD2-CZ 4.35Å; L536-F600 HydrophobicContact CD1-CE2 4.24Å; L536-F600 HydrophobicContact CD1-CZ 4.18Å; A569-F600 HydrophobicContact CB-CD2 4.18Å; A569-F600 HydrophobicContact CB-CE2 3.89Å; I572-F600 HydrophobicContact CB-CB 4.03Å; I572-F600 HydrophobicContact CB-CG 4.31Å; I572-F600 HydrophobicContact CD1-CB 3.9Å; I572-F600 HydrophobicContact CD1-CD1 3.75Å; I572-F600 HydrophobicContact CD1-CG 4.09Å; I572-F600 HydrophobicContact CG2-CB 3.91Å; I572-F600 HydrophobicContact CG2-CD1 4Å; I572-F600 HydrophobicContact CG2-CD2 3.88Å; I572-F600 HydrophobicContact CG2-CE1 4.48Å; I572-F600 HydrophobicContact CG2-CE2 4.38Å; I572-F600 HydrophobicContact CG2-CG 3.66Å; H598-F600 WeakPolarHBondContact ND1-CB 3.41Å; H598-F600 PolarHBondContact ND1-N 2.93Å; H598-F600 VanDerWaalsContact ND1-N 3.17Å; H598-F600 PolarHBondContact O-N 2.85Å
601	F	98.3	Very high	96.7	Very high	3 Å²	3	69.3 Å²	69.3	1%	0.013	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-99.6	15.5	178.6	-60.2	-69.5	0	0	0	113.2	V445 A448 A449 F528 I572 I595 H598 S599 Y603 M604 W606	V445-F601 HydrophobicContact CG1-CD1 3.93Å; V445-F601 HydrophobicContact CG1-CE1 4.42Å; A448-F601 HydrophobicContact CB-CE1 4.03Å; A448-F601 HydrophobicContact CB-CZ 4.06Å; A449-F601 HydrophobicContact CB-CD1 4.07Å; A449-F601 HydrophobicContact CB-CE1 3.9Å; F528-F601 HydrophobicContact CZ-CZ 4.35Å; I572-F601 HydrophobicContact CD1-CD2 4.02Å; I572-F601 HydrophobicContact CD1-CE2 3.36Å; I572-F601 HydrophobicContact CD1-CZ 4.02Å; I595-F601 HydrophobicContact CG2-CE2 3.95Å; I595-F601 VanDerWaalsContact O-CD2 3.27Å; I595-F601 WeakPolarHBondContact O-CD2 3.15Å; H598-F601 PolarHBondContact O-N 3.26Å; S599-F601 VanDerWaalsContact C-N 3.32Å; F601-Y603 PolarHBondContact O-N 2.87Å; F601-M604 HydrophobicContact CB-CB 4.21Å; F601-M604 WeakPolarHBondContact O-CB 3.08Å; F601-M604 PolarHBondContact O-N 2.85Å; F601-W606 HydrophobicContact CB-CZ2 3.71Å; F601-W606 HydrophobicContact CD1-CH2 4.12Å; F601-W606 AromaticContact CD1-CZ2 3.91Å; F601-W606 HydrophobicContact CD1-CZ2 3.91Å; F601-W606 HydrophobicContact CD2-CH2 4.21Å; F601-W606 AromaticContact CD2-CZ2 3.79Å; F601-W606 HydrophobicContact CD2-CZ2 3.79Å; F601-W606 HydrophobicContact CE1-CH2 4.24Å; F601-W606 HydrophobicContact CE1-CZ2 4.47Å; F601-W606 HydrophobicContact CE2-CH2 4.29Å; F601-W606 HydrophobicContact CE2-CZ2 4.32Å; F601-W606 HydrophobicContact CG-CH2 4.11Å; F601-W606 AromaticContact CG-CZ2 3.55Å; F601-W606 HydrophobicContact CG-CZ2 3.55Å; F601-W606 HydrophobicContact CZ-CH2 4.32Å
602	R	96.5	Very high	96.7	Very high	129 Å²	129	72 Å²	72	49%	0.487	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-22.7	-174.4	67.5	-179.3	160.1	-154.3	-13.6	115.9	E568 S599	E568-R602 IonicContact OE1-CZ 3.17Å; E568-R602 VanDerWaalsContact OE1-CZ 3.25Å; E568-R602 IonicContact OE1-NH1 2.9Å; E568-R602 PolarHBondContact OE1-NH1 2.81Å; E568-R602 IonicContact OE1-NH2 2.7Å; E568-R602 PolarHBondContact OE1-NH2 3.48Å; S599-R602 WeakPolarHBondContact O-CB 3.28Å; S599-R602 VanDerWaalsContact O-CG 3.3Å; S599-R602 WeakPolarHBondContact O-CG 3.47Å; S599-R602 PolarHBondContact O-N 3.31Å
603	Y	93.3	Very high	96.6	Very high	197 Å²	197	74.2 Å²	74.2	77%	0.773	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	0.9	179.5	-59	-58	0	0	0	112.9	F601	F601-Y603 PolarHBondContact O-N 2.87Å
604	M	96.8	Very high	96.4	Very high	29 Å²	29	69.7 Å²	69.7	14%	0.143	33%	0.325	C	S	.	.			trans	-87.5	121.6	-177.5	-169.9	54	69	0	0	110.4	V445 F446 A449 F601 W606 L609	V445-M604 HydrophobicContact CG1-CE 4.21Å; F446-M604 HydrophobicContact CD2-CE 4.43Å; A449-M604 HydrophobicContact CB-CE 4.03Å; A449-M604 HydrophobicContact CB-CG 3.97Å; A449-M604 HydrophobicContact CB-SD 4.44Å; F601-M604 HydrophobicContact CB-CB 4.21Å; F601-M604 WeakPolarHBondContact O-CB 3.08Å; F601-M604 PolarHBondContact O-N 2.85Å; M604-W606 HydrophobicContact CG-CD2 4.33Å; M604-W606 PolarHBondContact O-N 3.22Å; M604-L609 HydrophobicContact CE-CD2 4.33Å; M604-L609 HydrophobicContact CG-CD2 4.15Å; M604-L609 HydrophobicContact SD-CB 4.07Å; M604-L609 HydrophobicContact SD-CD1 4.18Å; M604-L609 HydrophobicContact SD-CD2 3.75Å; M604-L609 HydrophobicContact SD-CG 4.22Å
605	D	96.8	Very high	96.1	Very high	68 Å²	68	74.4 Å²	74.4	36%	0.364	35%	0.345	S	S	.	.			trans	-89.7	98	167.3	-172.7	-28	0	0	0	107.7	E607 K608 L609	D605-E607 VanDerWaalsContact C-N 3.31Å; D605-E607 PolarHBondContact O-N 3.39Å; D605-E607 PolarHBondContact OD1-N 2.87Å; D605-K608 HydrophobicContact CB-CB 4.08Å; D605-K608 HydrophobicContact CB-CD 4.3Å; D605-K608 HydrophobicContact CB-CG 4.32Å; D605-K608 PolarHBondContact O-N 3.45Å; D605-K608 PolarHBondContact OD1-N 3.33Å; D605-K608 WeakPolarHBondContact OD2-CD 3.49Å; D605-K608 VanDerWaalsContact OD2-CE 3.26Å; D605-K608 WeakPolarHBondContact OD2-CE 3.41Å; D605-K608 WeakPolarHBondContact OD2-CG 3.17Å; D605-K608 IonicContact OD2-NZ 2.69Å; D605-K608 PolarHBondContact OD2-NZ 2.82Å; D605-L609 WeakPolarHBondContact O-CB 3Å; D605-L609 PolarHBondContact O-N 2.98Å
606	W	97.2	Very high	95.9	Very high	26 Å²	26	75.4 Å²	75.4	10%	0.098	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-34.3	-172.6	-67.2	91.5	0	0	0	113.1	A449 A452 I453 F456 R596 F601 M604 L609 E610	A449-W606 HydrophobicContact CB-CE3 4.45Å; A449-W606 HydrophobicContact CB-CH2 3.86Å; A449-W606 HydrophobicContact CB-CZ3 3.8Å; A449-W606 WeakPolarHBondContact O-CZ3 3.47Å; A452-W606 HydrophobicContact CB-CH2 4.29Å; A452-W606 HydrophobicContact CB-CZ3 4.23Å; I453-W606 HydrophobicContact CD1-CE3 4.02Å; I453-W606 HydrophobicContact CD1-CZ3 4.44Å; I453-W606 HydrophobicContact CG1-CE3 3.83Å; I453-W606 HydrophobicContact CG1-CZ3 4Å; F456-W606 HydrophobicContact CE2-CZ3 4.18Å; R596-W606 HydrophobicContact CB-CD2 4.4Å; R596-W606 HydrophobicContact CB-CZ2 4.16Å; R596-W606 HydrophobicContact CG-CD2 3.89Å; R596-W606 HydrophobicContact CG-CE3 4.27Å; R596-W606 HydrophobicContact CG-CG 4.32Å; R596-W606 HydrophobicContact CG-CH2 4.4Å; R596-W606 HydrophobicContact CG-CZ2 4.04Å; R596-W606 HydrophobicContact CG-CZ3 4.5Å; R596-W606 PolarHBondContact O-NE1 3.31Å; F601-W606 HydrophobicContact CB-CZ2 3.71Å; F601-W606 HydrophobicContact CD1-CH2 4.12Å; F601-W606 AromaticContact CD1-CZ2 3.91Å; F601-W606 HydrophobicContact CD1-CZ2 3.91Å; F601-W606 HydrophobicContact CD2-CH2 4.21Å; F601-W606 AromaticContact CD2-CZ2 3.79Å; F601-W606 HydrophobicContact CD2-CZ2 3.79Å; F601-W606 HydrophobicContact CE1-CH2 4.24Å; F601-W606 HydrophobicContact CE1-CZ2 4.47Å; F601-W606 HydrophobicContact CE2-CH2 4.29Å; F601-W606 HydrophobicContact CE2-CZ2 4.32Å; F601-W606 HydrophobicContact CG-CH2 4.11Å; F601-W606 AromaticContact CG-CZ2 3.55Å; F601-W606 HydrophobicContact CG-CZ2 3.55Å; F601-W606 HydrophobicContact CZ-CH2 4.32Å; M604-W606 HydrophobicContact CG-CD2 4.33Å; M604-W606 PolarHBondContact O-N 3.22Å; W606-L609 PolarHBondContact O-N 2.94Å; W606-E610 WeakPolarHBondContact O-CB 3.36Å; W606-E610 PolarHBondContact O-N 3.27Å
607	E	96.4	Very high	95.5	Very high	142 Å²	142	74.7 Å²	74.7	66%	0.664	36%	0.355	S	S	*	.	H	α-helix	trans	-69.4	-46.8	179.2	-177	177.6	-167.7	0	0	110.4	D605 L609 E610 N611	D605-E607 VanDerWaalsContact C-N 3.31Å; D605-E607 PolarHBondContact O-N 3.39Å; D605-E607 PolarHBondContact OD1-N 2.87Å; E607-L609 VanDerWaalsContact C-N 3.29Å; E607-L609 PolarHBondContact O-N 3.44Å; E607-E610 PolarHBondContact O-N 3.39Å; E607-N611 PolarHBondContact O-N 3.49Å; E607-N611 VanDerWaalsContact O-N 3.08Å; E607-N611 PolarHBondContact O-ND2 2.89Å
608	K	96.6	Very high	95	Very high	99 Å²	99	72.3 Å²	72.3	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-36.9	174.1	-70.5	-170.3	-174.7	159.9	0	112.7	D605 N611 K612 E613 V614	D605-K608 HydrophobicContact CB-CB 4.08Å; D605-K608 HydrophobicContact CB-CD 4.3Å; D605-K608 HydrophobicContact CB-CG 4.32Å; D605-K608 PolarHBondContact O-N 3.45Å; D605-K608 PolarHBondContact OD1-N 3.33Å; D605-K608 WeakPolarHBondContact OD2-CD 3.49Å; D605-K608 VanDerWaalsContact OD2-CE 3.26Å; D605-K608 WeakPolarHBondContact OD2-CE 3.41Å; D605-K608 WeakPolarHBondContact OD2-CG 3.17Å; D605-K608 IonicContact OD2-NZ 2.69Å; D605-K608 PolarHBondContact OD2-NZ 2.82Å; K608-N611 PolarHBondContact O-N 2.97Å; K608-K612 PolarHBondContact O-N 3.14Å; K608-E613 HydrophobicContact CB-CB 4.07Å; K608-E613 HydrophobicContact CG-CB 4.48Å; K608-E613 WeakPolarHBondContact CG-OE2 3.31Å; K608-E613 WeakPolarHBondContact O-CB 3.49Å; K608-E613 PolarHBondContact O-N 3.46Å; K608-V614 HydrophobicContact CB-CG2 3.93Å
609	L	96.1	Very high	94.3	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-49.4	176.7	-172.4	67.7	0	0	0	110.2	F403 F446 A449 E450 I453 M604 D605 W606 E607 N611 K612 V614	F403-L609 HydrophobicContact CZ-CG 4.28Å; F403-L609 WeakPolarHBondContact CZ-O 3.23Å; F446-L609 HydrophobicContact CD2-CD1 4.06Å; F446-L609 HydrophobicContact CE2-CD1 3.58Å; F446-L609 HydrophobicContact CZ-CD1 4.09Å; A449-L609 HydrophobicContact CB-CD2 3.35Å; E450-L609 HydrophobicContact CG-CD1 3.82Å; E450-L609 HydrophobicContact CG-CD2 3.88Å; E450-L609 HydrophobicContact CG-CG 3.98Å; I453-L609 HydrophobicContact CD1-CB 4.31Å; I453-L609 HydrophobicContact CD1-CD2 3.77Å; I453-L609 HydrophobicContact CD1-CG 4.07Å; M604-L609 HydrophobicContact CE-CD2 4.33Å; M604-L609 HydrophobicContact CG-CD2 4.15Å; M604-L609 HydrophobicContact SD-CB 4.07Å; M604-L609 HydrophobicContact SD-CD1 4.18Å; M604-L609 HydrophobicContact SD-CD2 3.75Å; M604-L609 HydrophobicContact SD-CG 4.22Å; D605-L609 WeakPolarHBondContact O-CB 3Å; D605-L609 PolarHBondContact O-N 2.98Å; W606-L609 PolarHBondContact O-N 2.94Å; E607-L609 VanDerWaalsContact C-N 3.29Å; E607-L609 PolarHBondContact O-N 3.44Å; L609-N611 PolarHBondContact O-N 2.79Å; L609-K612 WeakPolarHBondContact O-CA 3.38Å; L609-K612 PolarHBondContact O-N 3.24Å; L609-V614 HydrophobicContact CB-CG2 4.23Å; L609-V614 HydrophobicContact CD1-CB 3.95Å; L609-V614 HydrophobicContact CD1-CG1 4.47Å; L609-V614 HydrophobicContact CD1-CG2 4.25Å
610	E	94.9	Very high	93.4	Very high	77 Å²	77	74.5 Å²	74.5	36%	0.36	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-33.4	178.5	-169.1	162.8	-148.2	0	0	112.8	P402 I453 W606 E607 K612	P402-E610 WeakPolarHBondContact CG-O 3.4Å; I453-E610 HydrophobicContact CD1-CB 4.27Å; I453-E610 HydrophobicContact CG2-CG 4.32Å; W606-E610 WeakPolarHBondContact O-CB 3.36Å; W606-E610 PolarHBondContact O-N 3.27Å; E607-E610 PolarHBondContact O-N 3.39Å; E610-K612 VanDerWaalsContact C-N 3.27Å; E610-K612 PolarHBondContact O-N 3.28Å
611	N	94.1	Very high	91.8	Very high	95 Å²	95	84.7 Å²	84.7	51%	0.508	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	5.1	173.7	-67.3	-30.4	0	0	0	114.6	E607 K608 L609 E613	E607-N611 PolarHBondContact O-N 3.49Å; E607-N611 VanDerWaalsContact O-N 3.08Å; E607-N611 PolarHBondContact O-ND2 2.89Å; K608-N611 PolarHBondContact O-N 2.97Å; L609-N611 PolarHBondContact O-N 2.79Å; N611-E613 HydrophobicContact CB-CG 3.88Å; N611-E613 PolarHBondContact O-N 2.99Å
612	K	93.9	Very high	89.9	Confident	60 Å²	60	86.3 Å²	86.3	26%	0.261	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	31	-174	-70.3	-177.3	142.8	-162.5	0	114	P402 F403 D476 K608 L609 E610	P402-K612 HydrophobicContact CB-CD 3.85Å; P402-K612 HydrophobicContact CB-CG 4.23Å; P402-K612 HydrophobicContact CG-CD 4.11Å; P402-K612 HydrophobicContact CG-CG 3.9Å; F403-K612 HydrophobicContact CE1-CG 4.29Å; D476-K612 IonicContact OD2-NZ 3.47Å; D476-K612 PolarHBondContact OD2-NZ 3.12Å; K608-K612 PolarHBondContact O-N 3.14Å; L609-K612 WeakPolarHBondContact O-CA 3.38Å; L609-K612 PolarHBondContact O-N 3.24Å; E610-K612 VanDerWaalsContact C-N 3.27Å; E610-K612 PolarHBondContact O-N 3.28Å
613	E	94.1	Very high	87.7	Confident	123 Å²	123	91.1 Å²	91.1	58%	0.575	41%	0.414	S	S	*	.			trans	-86.2	-11.8	177.2	-62.5	178.6	-169.2	0	0	112.9	K608 N611	K608-E613 HydrophobicContact CB-CB 4.07Å; K608-E613 HydrophobicContact CG-CB 4.48Å; K608-E613 WeakPolarHBondContact CG-OE2 3.31Å; K608-E613 WeakPolarHBondContact O-CB 3.49Å; K608-E613 PolarHBondContact O-N 3.46Å; N611-E613 HydrophobicContact CB-CG 3.88Å; N611-E613 PolarHBondContact O-N 2.99Å
614	V	93.1	Very high	86	Confident	41 Å²	41	86.3 Å²	86.3	25%	0.248	40%	0.402	C	S	.	.	S	Bend	trans	-91.1	120.7	175.8	-173.6	0	0	0	0	109.3	F446 H480 K608 L609	F446-V614 HydrophobicContact CD2-CG1 4.05Å; F446-V614 HydrophobicContact CE2-CB 4.11Å; F446-V614 HydrophobicContact CE2-CG1 3.75Å; H480-V614 PolarHBondContact CE1-O 3.05Å; K608-V614 HydrophobicContact CB-CG2 3.93Å; L609-V614 HydrophobicContact CB-CG2 4.23Å; L609-V614 HydrophobicContact CD1-CB 3.95Å; L609-V614 HydrophobicContact CD1-CG1 4.47Å; L609-V614 HydrophobicContact CD1-CG2 4.25Å
615	Q	91.4	Very high	84.3	Confident	172 Å²	172	91.8 Å²	91.8	80%	0.804	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-64.6	130.3	-179.1	-174.3	-179.8	5	0	0	111.9
616	P	93.3	Very high	82.6	Confident	20 Å²	20	94.7 Å²	94.7	13%	0.13	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-59.2	143.2	174.9	-28.9	37.3	0	0	0	113.7	F446 E478 H480 F618	F446-P616 HydrophobicContact CE1-CB 4.13Å; F446-P616 HydrophobicContact CE1-CG 4.4Å; F446-P616 HydrophobicContact CZ-CB 4.08Å; F446-P616 HydrophobicContact CZ-CG 4.01Å; E478-P616 WeakPolarHBondContact O-CG 3.18Å; H480-P616 VanDerWaalsContact CE1-CG 3.44Å; H480-P616 WeakPolarHBondContact CE1-CG 3.31Å; H480-P616 VanDerWaalsContact NE2-CG 3.34Å; H480-P616 WeakPolarHBondContact NE2-CG 3.16Å; P616-F618 VanDerWaalsContact C-N 3.26Å; P616-F618 PolarHBondContact O-N 2.72Å
617	P	90.1	Very high	81	Confident	50 Å²	50	94.4 Å²	94.4	33%	0.325	43%	0.427	S	S	.	.	S	Bend	trans	-72.9	-21.8	-177.9	31.6	-37.3	0	0	0	112.5	H443 F446 Y447	H443-P617 HydrophobicContact CB-CB 4.31Å; H443-P617 HydrophobicContact CB-CG 4.12Å; F446-P617 HydrophobicContact CB-CG 4.15Å; F446-P617 HydrophobicContact CD1-CG 3.93Å; F446-P617 HydrophobicContact CG-CG 4.09Å; Y447-P617 HydrophobicContact CE1-CG 4.12Å
618	F	86.9	Confident	79.2	Confident	75 Å²	75	88.9 Å²	88.9	33%	0.329	40%	0.404	S	S	.	.			trans	-138.4	128.9	176.9	169.1	-100.5	0	0	0	109.6	Y447 L475 G479 P616 P620	Y447-F618 WeakPolarHBondContact OH-CB 3.36Å; L475-F618 HydrophobicContact CD1-CD1 3.96Å; L475-F618 HydrophobicContact CD1-CE1 4.25Å; G479-F618 WeakPolarHBondContact CA-O 3Å; P616-F618 VanDerWaalsContact C-N 3.26Å; P616-F618 PolarHBondContact O-N 2.72Å; F618-P620 HydrophobicContact CD1-CG 4.24Å; F618-P620 HydrophobicContact CE1-CB 4.17Å; F618-P620 HydrophobicContact CE1-CG 3.86Å
619	K	84.2	Confident	77.6	Confident	141 Å²	141	87.5 Å²	87.5	61%	0.613	41%	0.405	S	S	*	.			trans	-105.5	116.1	173.6	-174	164.7	-176.3	160.2	0	109.5
620	P	78.9	Confident	75.9	Confident	9 Å²	9	88.5 Å²	88.5	6%	0.058	41%	0.411	C	S	.	.			trans	-57.9	141.8	178.7	-25.2	34.4	0	0	0	112.3	L475 F618 A622	L475-P620 HydrophobicContact CB-CG 4.13Å; L475-P620 HydrophobicContact CD1-CG 4.27Å; F618-P620 HydrophobicContact CD1-CG 4.24Å; F618-P620 HydrophobicContact CE1-CB 4.17Å; F618-P620 HydrophobicContact CE1-CG 3.86Å; P620-A622 VanDerWaalsContact C-N 3.34Å; P620-A622 PolarHBondContact O-N 3.09Å
621	R	65.6	Low	74.5	Confident	222 Å²	222	86.2 Å²	86.2	84%	0.838	40%	0.4	S	S	*	.			trans	-82.7	76.3	175.9	-70	-175.2	178.2	-179.3	0.3	110.4	R623	R621-R623 PolarHBondContact O-N 3.27Å
622	A	58.5	Low	73	Confident	38 Å²	38	84.2 Å²	84.2	31%	0.314	39%	0.389	S	S	.	.			trans	-77.8	114.6	167.8	0	0	0	0	0	109.4	P620 N624	P620-A622 VanDerWaalsContact C-N 3.34Å; P620-A622 PolarHBondContact O-N 3.09Å; A622-N624 VanDerWaalsContact C-N 3.3Å
623	R	50.8	Low	71.8	Confident	229 Å²	229	88.5 Å²	88.5	86%	0.864	41%	0.407	S	S	*	.	S	Bend	trans	-71.6	-25.6	179.2	-65.3	-175.8	-177.7	-165	1.3	112.4	R621 D627	R621-R623 PolarHBondContact O-N 3.27Å; R623-D627 WeakPolarHBondContact CB-OD2 3.31Å; R623-D627 PolarHBondContact N-OD2 3Å
624	N	57.3	Low	70.5	Confident	97 Å²	97	88.3 Å²	88.3	52%	0.519	41%	0.407	S	S	.	.	S	Bend	trans	-160.4	169.7	172.4	59.2	38.8	0	0	0	111.2	A622 R626 D627	A622-N624 VanDerWaalsContact C-N 3.3Å; N624-R626 PolarHBondContact O-N 2.97Å; N624-R626 VanDerWaalsContact OD1-C 3.26Å; N624-R626 PolarHBondContact OD1-N 3.25Å; N624-D627 WeakPolarHBondContact O-CB 3.4Å; N624-D627 PolarHBondContact O-N 2.94Å; N624-D627 WeakPolarHBondContact OD1-CA 3.49Å; N624-D627 WeakPolarHBondContact OD1-CB 3.45Å; N624-D627 PolarHBondContact OD1-N 3.27Å
625	R	60	Low	69.2	Low	143 Å²	143	87.9 Å²	87.9	54%	0.54	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.6	179.2	-86	-174.1	-179.5	169.9	0.6	114.2	L368 N672	L368-R625 HydrophobicContact CD1-CB 4.37Å; L368-R625 WeakPolarHBondContact CD1-O 3.4Å; R625-N672 PolarHBondContact NH2-OXT 3.12Å
626	R	61.1	Low	68.1	Low	129 Å²	129	81.5 Å²	81.5	49%	0.487	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	9.2	179	-65.5	179.7	178.8	-173.1	-2.5	112.5	E361 L368 N624 T628	E361-R626 IonicContact OE1-CZ 2.71Å; E361-R626 IonicContact OE1-NH2 3.71Å; E361-R626 PolarHBondContact OE1-NH2 2.73Å; E361-R626 IonicContact OE2-NH2 3.56Å; E361-R626 PolarHBondContact OE2-NH2 2.97Å; L368-R626 HydrophobicContact CD1-CG 3.87Å; N624-R626 PolarHBondContact O-N 2.97Å; N624-R626 VanDerWaalsContact OD1-C 3.26Å; N624-R626 PolarHBondContact OD1-N 3.25Å; R626-T628 PolarHBondContact O-N 2.83Å
627	D	63.8	Low	67.2	Low	20 Å²	20	88.7 Å²	88.7	11%	0.107	40%	0.404	C	S	.	.			trans	-73.1	118.8	-170.7	-167.3	1.3	0	0	0	110	Y423 R623 N624 C629	Y423-D627 PolarHBondContact OH-O 3.37Å; R623-D627 WeakPolarHBondContact CB-OD2 3.31Å; R623-D627 PolarHBondContact N-OD2 3Å; N624-D627 WeakPolarHBondContact O-CB 3.4Å; N624-D627 PolarHBondContact O-N 2.94Å; N624-D627 WeakPolarHBondContact OD1-CA 3.49Å; N624-D627 WeakPolarHBondContact OD1-CB 3.45Å; N624-D627 PolarHBondContact OD1-N 3.27Å; D627-C629 VanDerWaalsContact OD1-CB 3.27Å; D627-C629 WeakPolarHBondContact OD1-CB 3.28Å; D627-C629 PolarHBondContact OD1-N 2.75Å; D627-C629 PolarHBondContact OD1-SG 2.88Å; D627-C629 PolarHBondContact OD2-SG 3.07Å
628	T	58.9	Low	66.3	Low	27 Å²	27	89.4 Å²	89.4	17%	0.166	40%	0.403	C	S	.	.			trans	-111.9	16.4	-179.9	58.4	0	0	0	0	112.4	M347 L349 L359 Y423 R626 N630 F631	M347-T628 HydrophobicContact CE-CG2 3.69Å; M347-T628 HydrophobicContact CG-CG2 4.49Å; M347-T628 HydrophobicContact SD-CG2 3.17Å; M347-T628 WeakPolarHBondContact SD-CG2 3.2Å; M347-T628 PolarHBondContact SD-OG1 3.5Å; M347-T628 VanDerWaalsContact SD-OG1 3.4Å; L349-T628 HydrophobicContact CD2-CG2 4.45Å; L359-T628 HydrophobicContact CD2-CG2 4.1Å; Y423-T628 WeakPolarHBondContact OH-CG2 3.46Å; R626-T628 PolarHBondContact O-N 2.83Å; T628-N630 PolarHBondContact O-N 2.93Å; T628-N630 VanDerWaalsContact O-N 3.09Å; T628-F631 HydrophobicContact CG2-CD2 4.33Å; T628-F631 PolarHBondContact O-N 2.87Å
629	C	62	Low	65.6	Low	69 Å²	69	89 Å²	89	47%	0.466	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19	179.2	68.9	0	0	0	0	114.2	D627	D627-C629 VanDerWaalsContact OD1-CB 3.27Å; D627-C629 WeakPolarHBondContact OD1-CB 3.28Å; D627-C629 PolarHBondContact OD1-N 2.75Å; D627-C629 PolarHBondContact OD1-SG 2.88Å; D627-C629 PolarHBondContact OD2-SG 3.07Å
630	N	62.2	Low	65.3	Low	21 Å²	21	84.3 Å²	84.3	11%	0.112	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.6	175.6	-57	-42.1	0	0	0	113.4	N425 Y431 T628	N425-N630 PolarHBondContact O-ND2 2.86Å; Y431-N630 HydrophobicContact CE1-CB 4.4Å; T628-N630 PolarHBondContact O-N 2.93Å; T628-N630 VanDerWaalsContact O-N 3.09Å
631	F	63.8	Low	65.1	Low	30 Å²	30	89.9 Å²	89.9	13%	0.132	43%	0.426	C	S	.	.	S	Bend	trans	-107.6	155	175.3	-67.2	-90.3	0	0	0	111.1	L349 Y423 I424 M474 T628 K633 T636	L349-F631 HydrophobicContact CB-CD1 4.2Å; L349-F631 HydrophobicContact CB-CE1 4.19Å; L349-F631 HydrophobicContact CD1-CE1 4.45Å; L349-F631 HydrophobicContact CD2-CD1 3.93Å; L349-F631 HydrophobicContact CD2-CD2 4.13Å; L349-F631 HydrophobicContact CD2-CE1 3.96Å; L349-F631 HydrophobicContact CD2-CE2 4.17Å; L349-F631 HydrophobicContact CD2-CG 4.01Å; L349-F631 HydrophobicContact CD2-CZ 4.07Å; L349-F631 HydrophobicContact CG-CE1 4.42Å; Y423-F631 AromaticContact CE2-CE2 3.83Å; Y423-F631 HydrophobicContact CE2-CE2 3.83Å; Y423-F631 AromaticContact CE2-CZ 3.76Å; Y423-F631 HydrophobicContact CE2-CZ 3.76Å; Y423-F631 AromaticContact CZ-CE2 3.97Å; Y423-F631 VanDerWaalsContact OH-CE2 3.3Å; Y423-F631 WeakPolarHBondContact OH-CE2 3.12Å; I424-F631 WeakPolarHBondContact O-CZ 3.45Å; M474-F631 HydrophobicContact CE-CE1 4.2Å; M474-F631 HydrophobicContact CE-CZ 4.42Å; T628-F631 HydrophobicContact CG2-CD2 4.33Å; T628-F631 PolarHBondContact O-N 2.87Å; F631-K633 PolarHBondContact O-N 3.45Å; F631-T636 HydrophobicContact CB-CG2 4.02Å
632	D	63.5	Low	65.5	Low	52 Å²	52	81.6 Å²	81.6	28%	0.278	40%	0.398	S	S	.	.			trans	-60.2	133.5	-178.2	-158.7	-37.7	0	0	0	111.7	S112 E634 F635 T636	S112-D632 WeakPolarHBondContact CB-OD2 3.2Å; S112-D632 PolarHBondContact OG-OD2 2.95Å; D632-E634 PolarHBondContact O-N 3.32Å; D632-E634 PolarHBondContact OD1-N 3.1Å; D632-F635 HydrophobicContact CB-CD2 3.51Å; D632-F635 HydrophobicContact CB-CE2 3.83Å; D632-F635 HydrophobicContact CB-CG 4.42Å; D632-F635 PolarHBondContact O-N 2.96Å; D632-T636 PolarHBondContact O-N 2.88Å; D632-T636 VanDerWaalsContact O-N 3.11Å; D632-T636 PolarHBondContact O-OG1 2.83Å; D632-T636 VanDerWaalsContact O-OG1 3.06Å
633	K	69.4	Low	66.1	Low	150 Å²	150	83.6 Å²	83.6	65%	0.652	41%	0.406	S	S	*	.	H	α-helix	trans	-67.9	-21.9	178.5	-70.6	-177.2	-176.1	173.5	0	112.4	F631 T636 K637	F631-K633 PolarHBondContact O-N 3.45Å; K633-T636 WeakPolarHBondContact CA-OG1 3.27Å; K633-K637 WeakPolarHBondContact O-CB 3.15Å; K633-K637 VanDerWaalsContact O-CD 3.31Å; K633-K637 WeakPolarHBondContact O-CD 3.4Å; K633-K637 WeakPolarHBondContact O-CG 3.23Å; K633-K637 PolarHBondContact O-N 2.97Å
634	E	65.9	Low	66.6	Low	119 Å²	119	78.5 Å²	78.5	56%	0.556	40%	0.403	S	S	*	.	H	α-helix	trans	-68.1	-44.7	174.3	-67.7	-164.9	163.7	0	0	111.1	D632 M638	D632-E634 PolarHBondContact O-N 3.32Å; D632-E634 PolarHBondContact OD1-N 3.1Å; E634-M638 WeakPolarHBondContact O-CG 3.46Å
635	F	66.4	Low	66.6	Low	33 Å²	33	75.1 Å²	75.1	15%	0.145	39%	0.386	C	S	.	.	H	α-helix	trans	-72.6	-45.5	179	-56.5	-50.6	0	0	0	112.4	V348 K351 D632 K637 M638	V348-F635 HydrophobicContact CG1-CB 4.44Å; V348-F635 CarbonylContact O-C 3.59Å; K351-F635 HydrophobicContact CB-CD1 4.45Å; K351-F635 HydrophobicContact CB-CE1 4.22Å; D632-F635 HydrophobicContact CB-CD2 3.51Å; D632-F635 HydrophobicContact CB-CE2 3.83Å; D632-F635 HydrophobicContact CB-CG 4.42Å; D632-F635 PolarHBondContact O-N 2.96Å; F635-K637 PolarHBondContact O-N 3.23Å; F635-M638 HydrophobicContact CD1-SD 4Å; F635-M638 VanDerWaalsContact O-CB 3.32Å; F635-M638 WeakPolarHBondContact O-CB 3.39Å; F635-M638 PolarHBondContact O-N 2.95Å
636	T	67.6	Low	66.8	Low	38 Å²	38	72.4 Å²	72.4	23%	0.233	38%	0.382	C	S	.	.	H	α-helix	trans	-65.4	-15.2	-177.6	52.6	0	0	0	0	113.8	M347 V348 F631 D632 K633	M347-T636 HydrophobicContact SD-CG2 3.94Å; V348-T636 PolarHBondContact O-N 3.5Å; F631-T636 HydrophobicContact CB-CG2 4.02Å; D632-T636 PolarHBondContact O-N 2.88Å; D632-T636 VanDerWaalsContact O-N 3.11Å; D632-T636 PolarHBondContact O-OG1 2.83Å; D632-T636 VanDerWaalsContact O-OG1 3.06Å; K633-T636 WeakPolarHBondContact CA-OG1 3.27Å
637	K	74.3	Confident	66.9	Low	171 Å²	171	74.2 Å²	74.2	74%	0.743	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.5	172.6	-72	176.3	-173.7	175.7	0	114.3	K633 F635	K633-K637 WeakPolarHBondContact O-CB 3.15Å; K633-K637 VanDerWaalsContact O-CD 3.31Å; K633-K637 WeakPolarHBondContact O-CD 3.4Å; K633-K637 WeakPolarHBondContact O-CG 3.23Å; K633-K637 PolarHBondContact O-N 2.97Å; F635-K637 PolarHBondContact O-N 3.23Å
638	M	71.8	Confident	66.5	Low	65 Å²	65	78 Å²	78	32%	0.32	41%	0.413	S	S	.	.	S	Bend	trans	-68.2	148.8	179.4	-65.4	-177.2	70.5	0	0	111.3	V348 K351 E634 F635 V640	V348-M638 HydrophobicContact CB-CB 4.27Å; V348-M638 HydrophobicContact CG1-SD 4.38Å; V348-M638 HydrophobicContact CG2-CB 3.99Å; K351-M638 HydrophobicContact CD-CE 4.38Å; E634-M638 WeakPolarHBondContact O-CG 3.46Å; F635-M638 HydrophobicContact CD1-SD 4Å; F635-M638 VanDerWaalsContact O-CB 3.32Å; F635-M638 WeakPolarHBondContact O-CB 3.39Å; F635-M638 PolarHBondContact O-N 2.95Å; M638-V640 PolarHBondContact O-N 2.73Å
639	A	72.1	Confident	66.7	Low	65 Å²	65	79 Å²	79	54%	0.537	42%	0.419	S	S	.	.			trans	-58.9	139.1	170	0	0	0	0	0	110.8	K356 D641	K356-A639 PolarHBondContact NZ-O 2.98Å; A639-D641 PolarHBondContact O-N 3.12Å
640	V	78.5	Confident	66.8	Low	44 Å²	44	77.5 Å²	77.5	27%	0.267	41%	0.406	S	S	.	.			trans	-76	-5.7	-179.5	-167.8	0	0	0	0	111.5	F345 M358 M638	F345-V640 HydrophobicContact CB-CG1 3.17Å; F345-V640 HydrophobicContact CG-CG1 4.27Å; M358-V640 HydrophobicContact SD-CG1 4Å; M638-V640 PolarHBondContact O-N 2.73Å
641	D	74.6	Confident	66.9	Low	126 Å²	126	83.7 Å²	83.7	67%	0.674	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-65.1	138.2	-179.6	-59.6	-57.6	0	0	0	112.3	K356 A639	K356-D641 PolarHBondContact NZ-O 2.78Å; K356-D641 VanDerWaalsContact NZ-O 3.12Å; A639-D641 PolarHBondContact O-N 3.12Å
642	L	72.5	Confident	67.2	Low	47 Å²	47	89 Å²	89	25%	0.246	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-78.8	130.5	166.7	-68.6	177.9	0	0	0	108.1	M358 I373	M358-L642 HydrophobicContact CE-CD2 3.61Å; M358-L642 HydrophobicContact CE-CG 4.09Å; I373-L642 HydrophobicContact CD1-CD2 3.9Å; I373-L642 HydrophobicContact CG2-CD2 4.21Å
643	T	71.4	Confident	67.6	Low	80 Å²	80	87.5 Å²	87.5	49%	0.491	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-55.3	131	174.4	-41.4	0	0	0	0	109.2	R416 T645	R416-T643 PolarHBondContact NH2-O 2.9Å; T643-T645 PolarHBondContact O-N 2.88Å
644	P	62.6	Low	67.9	Low	122 Å²	122	84.4 Å²	84.4	79%	0.792	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-57.8	139.3	175.2	-22.5	32.5	0	0	0	110.8
645	T	55.8	Low	68.4	Low	26 Å²	26	81.2 Å²	81.2	16%	0.16	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-102.8	136.1	177.2	-39.3	0	0	0	0	109.6	D415 R416 T643 K647 I650	D415-T645 HydrophobicContact CB-CG2 3.96Å; D415-T645 WeakPolarHBondContact OD2-CB 3.47Å; D415-T645 PolarHBondContact OD2-OG1 3.11Å; R416-T645 PolarHBondContact NH2-OG1 3.27Å; T643-T645 PolarHBondContact O-N 2.88Å; T645-K647 PolarHBondContact O-N 2.83Å; T645-I650 HydrophobicContact CG2-CG1 4.38Å
646	D	65.1	Low	69.3	Low	87 Å²	87	85.4 Å²	85.4	47%	0.465	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-65.7	131.4	-178.2	-169.9	-20.5	0	0	0	110.9	L648 V649 I650	D646-L648 PolarHBondContact O-N 3.25Å; D646-L648 PolarHBondContact OD1-N 3.11Å; D646-V649 HydrophobicContact CB-CB 4.28Å; D646-V649 HydrophobicContact CB-CG2 3.92Å; D646-V649 WeakPolarHBondContact O-CB 3.36Å; D646-V649 PolarHBondContact O-N 2.85Å; D646-V649 VanDerWaalsContact O-N 3.14Å; D646-I650 WeakPolarHBondContact O-CG1 3.26Å; D646-I650 PolarHBondContact O-N 2.99Å; D646-I650 VanDerWaalsContact O-N 3.11Å
647	K	63.2	Low	70	Confident	167 Å²	167	88.2 Å²	88.2	73%	0.726	47%	0.468	S	S	*	.	H	α-helix	trans	-61.3	-31.3	178	-66.6	-175.3	179.3	-178.2	0	112.5	T645 I650 M651	T645-K647 PolarHBondContact O-N 2.83Å; K647-I650 PolarHBondContact O-N 3.32Å; K647-M651 VanDerWaalsContact O-CG 3.3Å; K647-M651 WeakPolarHBondContact O-CG 3.34Å; K647-M651 PolarHBondContact O-N 2.72Å
648	L	54.9	Low	70.8	Confident	98 Å²	98	80.1 Å²	80.1	51%	0.513	43%	0.433	S	S	.	.	H	α-helix	trans	-69.4	-36.3	176.8	-69.6	172.7	0	0	0	111.7	D646 M651 N652	D646-L648 PolarHBondContact O-N 3.25Å; D646-L648 PolarHBondContact OD1-N 3.11Å; L648-M651 PolarHBondContact O-N 3.12Å; L648-N652 PolarHBondContact O-N 3.23Å; L648-N652 PolarHBondContact O-ND2 3.06Å
649	V	62.6	Low	71.6	Confident	48 Å²	48	83.4 Å²	83.4	29%	0.291	45%	0.451	S	S	.	.	H	α-helix	trans	-64.1	-45.1	172.9	174.3	0	0	0	0	109.7	D377 D646 M651 N652 L653	D377-V649 HydrophobicContact CB-CG1 3.44Å; D377-V649 VanDerWaalsContact CB-CG1 3.44Å; D646-V649 HydrophobicContact CB-CB 4.28Å; D646-V649 HydrophobicContact CB-CG2 3.92Å; D646-V649 WeakPolarHBondContact O-CB 3.36Å; D646-V649 PolarHBondContact O-N 2.85Å; D646-V649 VanDerWaalsContact O-N 3.14Å; V649-M651 VanDerWaalsContact C-N 3.29Å; V649-M651 PolarHBondContact O-N 2.87Å; V649-N652 PolarHBondContact O-N 3.07Å; V649-N652 VanDerWaalsContact O-N 3.16Å; V649-L653 HydrophobicContact CG1-CD1 4.1Å; V649-L653 HydrophobicContact CG1-CG 4.29Å; V649-L653 VanDerWaalsContact O-CG 3.25Å; V649-L653 WeakPolarHBondContact O-CG 3.16Å; V649-L653 PolarHBondContact O-N 3.13Å
650	I	65.5	Low	72.4	Confident	38 Å²	38	82.6 Å²	82.6	20%	0.195	45%	0.449	C	S	.	.	H	α-helix	trans	-59	-38.3	176.8	-61.8	170.2	0	0	0	112.7	M414 D415 T645 D646 K647 N652	M414-I650 HydrophobicContact CB-CG2 3.79Å; M414-I650 HydrophobicContact CE-CG2 4.25Å; D415-I650 HydrophobicContact CB-CD1 3.9Å; D415-I650 HydrophobicContact CB-CG1 3.9Å; T645-I650 HydrophobicContact CG2-CG1 4.38Å; D646-I650 WeakPolarHBondContact O-CG1 3.26Å; D646-I650 PolarHBondContact O-N 2.99Å; D646-I650 VanDerWaalsContact O-N 3.11Å; K647-I650 PolarHBondContact O-N 3.32Å; I650-N652 VanDerWaalsContact C-N 3.35Å
651	M	63.4	Low	73.1	Confident	152 Å²	152	80.5 Å²	80.5	75%	0.749	44%	0.436	S	S	*	.	H	α-helix	trans	-73.1	-25.7	179.5	-71	178.6	74.7	0	0	113.6	K647 L648 V649	K647-M651 VanDerWaalsContact O-CG 3.3Å; K647-M651 WeakPolarHBondContact O-CG 3.34Å; K647-M651 PolarHBondContact O-N 2.72Å; L648-M651 PolarHBondContact O-N 3.12Å; V649-M651 VanDerWaalsContact C-N 3.29Å; V649-M651 PolarHBondContact O-N 2.87Å
652	N	70.4	Confident	73.9	Confident	141 Å²	141	77.5 Å²	77.5	75%	0.754	43%	0.425	S	S	*	.	H	α-helix	trans	-97	-7.4	179.7	-68.4	-25.5	0	0	0	113.2	L648 V649 I650 D654	L648-N652 PolarHBondContact O-N 3.23Å; L648-N652 PolarHBondContact O-ND2 3.06Å; V649-N652 PolarHBondContact O-N 3.07Å; V649-N652 VanDerWaalsContact O-N 3.16Å; I650-N652 VanDerWaalsContact C-N 3.35Å; N652-D654 PolarHBondContact O-N 2.91Å
653	L	71.3	Confident	74.9	Confident	21 Å²	21	78 Å²	78	11%	0.11	42%	0.424	C	S	.	.	S	Bend	trans	-72	122.8	175.7	-85.6	168.8	0	0	0	110	K376 D377 I380 V649 Q655	K376-L653 HydrophobicContact CB-CD1 3.97Å; K376-L653 HydrophobicContact CB-CD2 4.1Å; D377-L653 HydrophobicContact CB-CD1 4.46Å; D377-L653 HydrophobicContact CB-CD2 4.34Å; I380-L653 HydrophobicContact CD1-CD2 3.35Å; V649-L653 HydrophobicContact CG1-CD1 4.1Å; V649-L653 HydrophobicContact CG1-CG 4.29Å; V649-L653 VanDerWaalsContact O-CG 3.25Å; V649-L653 WeakPolarHBondContact O-CG 3.16Å; V649-L653 PolarHBondContact O-N 3.13Å; L653-Q655 PolarHBondContact O-N 2.93Å; L653-Q655 VanDerWaalsContact O-N 3.15Å
654	D	75.9	Confident	75.9	Confident	85 Å²	85	77.5 Å²	77.5	46%	0.455	42%	0.421	S	S	.	.			trans	-66.3	112.1	166.2	-167.7	-16	0	0	0	108.8	N652 D656 E657	N652-D654 PolarHBondContact O-N 2.91Å; D654-D656 VanDerWaalsContact C-N 3.3Å; D654-D656 WeakPolarHBondContact OD1-CB 3.29Å; D654-D656 PolarHBondContact OD1-N 2.81Å; D654-E657 HydrophobicContact CB-CG 3.97Å
655	Q	77.1	Confident	77.2	Confident	51 Å²	51	72.5 Å²	72.5	24%	0.238	39%	0.388	C	S	.	.	S	Bend	trans	-80.1	-16.5	-177.4	-63.5	-64.2	-37.7	0	0	112.1	M414 L653	M414-Q655 PolarHBondContact O-NE2 3.33Å; M414-Q655 PolarHBondContact O-OE1 2.98Å; L653-Q655 PolarHBondContact O-N 2.93Å; L653-Q655 VanDerWaalsContact O-N 3.15Å
656	D	84.3	Confident	78.6	Confident	121 Å²	121	76.9 Å²	76.9	65%	0.647	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-79.1	-21.4	-176	-68.1	-20.9	0	0	0	112	D654 F658 L659	D654-D656 VanDerWaalsContact C-N 3.3Å; D654-D656 WeakPolarHBondContact OD1-CB 3.29Å; D654-D656 PolarHBondContact OD1-N 2.81Å; D656-F658 PolarHBondContact O-N 3.11Å; D656-F658 VanDerWaalsContact O-N 3.12Å; D656-L659 VanDerWaalsContact O-CB 3.27Å; D656-L659 WeakPolarHBondContact O-CB 3.46Å; D656-L659 PolarHBondContact O-N 3.06Å
657	E	83	Confident	79.6	Confident	98 Å²	98	78 Å²	78	46%	0.458	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-55.7	-27.1	173.6	-70.9	-71.7	177.7	0	0	113.2	V385 D654	V385-E657 HydrophobicContact CG1-CB 4.29Å; D654-E657 HydrophobicContact CB-CG 3.97Å
658	F	90.1	Very high	80.7	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-108.9	20.9	-179.6	-56.1	-70.6	0	0	0	113.4	K376 V379 I380 V385 Q412 L417 D656 G660 F661	K376-F658 HydrophobicContact CB-CD2 4.48Å; K376-F658 HydrophobicContact CB-CE2 3.74Å; K376-F658 HydrophobicContact CB-CZ 4.26Å; K376-F658 HydrophobicContact CD-CD2 3.75Å; K376-F658 HydrophobicContact CD-CE2 3.87Å; K376-F658 HydrophobicContact CG-CD2 3.89Å; K376-F658 HydrophobicContact CG-CE2 3.58Å; K376-F658 HydrophobicContact CG-CZ 4.16Å; V379-F658 HydrophobicContact CB-CZ 4.31Å; V379-F658 HydrophobicContact CG1-CE1 3.95Å; V379-F658 HydrophobicContact CG1-CZ 4.02Å; I380-F658 HydrophobicContact CD1-CE2 3.64Å; I380-F658 HydrophobicContact CD1-CZ 4.02Å; I380-F658 HydrophobicContact CG1-CE2 4.08Å; I380-F658 HydrophobicContact CG1-CZ 3.93Å; V385-F658 HydrophobicContact CB-CE1 4.4Å; V385-F658 HydrophobicContact CG1-CD1 4.3Å; V385-F658 HydrophobicContact CG1-CE1 3.96Å; V385-F658 HydrophobicContact CG2-CE1 4.1Å; V385-F658 HydrophobicContact CG2-CZ 4.05Å; Q412-F658 PolarHBondContact NE2-O 3.46Å; L417-F658 HydrophobicContact CD1-CD1 3.62Å; L417-F658 HydrophobicContact CD1-CE1 3.58Å; L417-F658 HydrophobicContact CD1-CG 4.33Å; L417-F658 HydrophobicContact CD1-CZ 4.24Å; L417-F658 HydrophobicContact CD2-CB 4.15Å; L417-F658 HydrophobicContact CD2-CD1 4.09Å; L417-F658 HydrophobicContact CD2-CG 4.02Å; L417-F658 HydrophobicContact CG-CD1 4.42Å; D656-F658 PolarHBondContact O-N 3.11Å; D656-F658 VanDerWaalsContact O-N 3.12Å; F658-G660 PolarHBondContact O-N 3.49Å; F658-F661 VanDerWaalsContact O-CB 3.28Å; F658-F661 WeakPolarHBondContact O-CB 3.17Å; F658-F661 PolarHBondContact O-N 3.34Å
659	L	88.3	Confident	81.6	Confident	135 Å²	135	72.1 Å²	72.1	71%	0.707	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	135.6	175.8	-168	69.4	0	0	0	110.5	M389 D656 F661	M389-L659 WeakPolarHBondContact CE-O 3.44Å; D656-L659 VanDerWaalsContact O-CB 3.27Å; D656-L659 WeakPolarHBondContact O-CB 3.46Å; D656-L659 PolarHBondContact O-N 3.06Å; L659-F661 VanDerWaalsContact C-N 3.32Å; L659-F661 PolarHBondContact O-N 2.8Å
660	G	89	Confident	81.9	Confident	48 Å²	48	71.4 Å²	71.4	50%	0.495	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	7.8	-177.9	0	0	0	0	0	115.4	K392 F658	K392-G660 PolarHBondContact NZ-O 2.91Å; F658-G660 PolarHBondContact O-N 3.49Å
661	F	93.3	Very high	81.8	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.412	C	S	.	.			trans	-64.4	-41.5	174.8	-175.5	-97.4	0	0	0	112.8	T388 M389 K392 T410 F411 Q412 L417 F419 F658 L659 Y663	T388-F661 HydrophobicContact CG2-CE2 4.16Å; M389-F661 HydrophobicContact SD-CB 4.28Å; M389-F661 HydrophobicContact SD-CD2 3.91Å; K392-F661 HydrophobicContact CB-CD2 4.5Å; K392-F661 HydrophobicContact CB-CE2 4.29Å; K392-F661 WeakPolarHBondContact CE-O 3.34Å; K392-F661 HydrophobicContact CG-CD2 4.45Å; K392-F661 HydrophobicContact CG-CE2 4.46Å; T410-F661 WeakPolarHBondContact CB-O 3.27Å; T410-F661 HydrophobicContact CG2-CE1 4.21Å; T410-F661 HydrophobicContact CG2-CZ 4.02Å; T410-F661 PolarHBondContact OG1-O 3.04Å; F411-F661 VanDerWaalsContact O-CE1 3.25Å; F411-F661 WeakPolarHBondContact O-CE1 3.26Å; Q412-F661 HydrophobicContact CB-CD1 4.06Å; L417-F661 HydrophobicContact CB-CE1 3.93Å; L417-F661 HydrophobicContact CB-CE2 4.18Å; L417-F661 HydrophobicContact CB-CZ 3.71Å; L417-F661 HydrophobicContact CD1-CD2 4.46Å; L417-F661 HydrophobicContact CD1-CE2 4.22Å; L417-F661 HydrophobicContact CD2-CD1 3.92Å; L417-F661 HydrophobicContact CD2-CD2 4.19Å; L417-F661 HydrophobicContact CD2-CE1 4.11Å; L417-F661 HydrophobicContact CD2-CE2 4.37Å; L417-F661 HydrophobicContact CD2-CG 3.98Å; L417-F661 HydrophobicContact CD2-CZ 4.35Å; L417-F661 HydrophobicContact CG-CZ 4.43Å; F419-F661 HydrophobicContact CD1-CZ 4.41Å; F419-F661 AromaticContact CD2-CZ 3.96Å; F419-F661 HydrophobicContact CD2-CZ 3.96Å; F419-F661 HydrophobicContact CE1-CE2 4.02Å; F419-F661 HydrophobicContact CE1-CZ 4.06Å; F419-F661 AromaticContact CE2-CE2 3.77Å; F419-F661 HydrophobicContact CE2-CE2 3.77Å; F419-F661 AromaticContact CE2-CZ 3.55Å; F419-F661 HydrophobicContact CE2-CZ 3.55Å; F419-F661 HydrophobicContact CG-CZ 4.37Å; F419-F661 AromaticContact CZ-CE2 3.45Å; F419-F661 HydrophobicContact CZ-CE2 3.45Å; F419-F661 VanDerWaalsContact CZ-CE2 3.45Å; F419-F661 AromaticContact CZ-CZ 3.62Å; F419-F661 HydrophobicContact CZ-CZ 3.62Å; F658-F661 VanDerWaalsContact O-CB 3.28Å; F658-F661 WeakPolarHBondContact O-CB 3.17Å; F658-F661 PolarHBondContact O-N 3.34Å; L659-F661 VanDerWaalsContact C-N 3.32Å; L659-F661 PolarHBondContact O-N 2.8Å; F661-Y663 PolarHBondContact O-N 2.82Å
662	S	92.3	Very high	81	Confident	63 Å²	63	75.4 Å²	75.4	44%	0.441	43%	0.426	S	S	.	.			trans	-65.2	130.2	-176	-58.8	0	0	0	0	112.6	T410	T410-S662 VanDerWaalsContact O-CA 3.3Å; T410-S662 WeakPolarHBondContact O-CA 3.22Å
663	Y	93.4	Very high	81.5	Confident	58 Å²	58	72.1 Å²	72.1	23%	0.227	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.1	-178.4	171.5	-105.1	0	0	0	110.6	A396 L407 S409 T410 F661 N665	A396-Y663 HydrophobicContact CB-CD1 3.92Å; A396-Y663 HydrophobicContact CB-CE1 3.58Å; L407-Y663 HydrophobicContact CD2-CD1 3.84Å; L407-Y663 HydrophobicContact CD2-CE1 4.11Å; S409-Y663 CarbonylContact C-O 3.19Å; S409-Y663 VanDerWaalsContact CA-O 3.22Å; S409-Y663 WeakPolarHBondContact CA-O 3.18Å; S409-Y663 VanDerWaalsContact CB-O 3.3Å; S409-Y663 WeakPolarHBondContact CB-O 3.49Å; T410-Y663 PolarHBondContact N-O 3.48Å; T410-Y663 PolarHBondContact O-N 3.02Å; T410-Y663 VanDerWaalsContact O-O 3.13Å; T410-Y663 WeakPolarHBondContact OG1-CB 3.23Å; T410-Y663 PolarHBondContact OG1-N 3.02Å; T410-Y663 VanDerWaalsContact OG1-N 3.12Å; F661-Y663 PolarHBondContact O-N 2.82Å; Y663-N665 HydrophobicContact CE1-CB 3.82Å
664	T	92.3	Very high	82	Confident	68 Å²	68	74.8 Å²	74.8	42%	0.417	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.1	171.8	-59.5	0	0	0	0	107.3	I338 P666	I338-T664 HydrophobicContact CD1-CG2 3.96Å; T664-P666 VanDerWaalsContact O-CD 3.32Å; T664-P666 WeakPolarHBondContact O-CD 3.48Å
665	N	89.9	Confident	82.4	Confident	18 Å²	18	74.2 Å²	74.2	10%	0.096	42%	0.423	C	S	.	.			trans	-81.2	114.2	-175	-177.1	5.1	0	0	0	110	L407 H408 Y663 E667	L407-N665 WeakPolarHBondContact O-CB 2.92Å; L407-N665 PolarHBondContact O-ND2 2.67Å; H408-N665 WeakPolarHBondContact O-CB 3.5Å; H408-N665 PolarHBondContact O-N 2.76Å; Y663-N665 HydrophobicContact CE1-CB 3.82Å; N665-E667 PolarHBondContact O-N 2.96Å; N665-E667 PolarHBondContact OD1-N 2.81Å
666	P	86.3	Confident	82.7	Confident	117 Å²	117	75.6 Å²	75.6	76%	0.76	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.4	178.7	30.8	-34.4	0	0	0	113	T664	T664-P666 VanDerWaalsContact O-CD 3.32Å; T664-P666 WeakPolarHBondContact O-CD 3.48Å
667	E	85.6	Confident	82.6	Confident	112 Å²	112	72.8 Å²	72.8	52%	0.523	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	4.1	-177.5	-62.1	178.3	175.2	0	0	112.7	N665 V669	N665-E667 PolarHBondContact O-N 2.96Å; N665-E667 PolarHBondContact OD1-N 2.81Å; E667-V669 PolarHBondContact O-N 2.74Å; E667-V669 VanDerWaalsContact O-N 3.16Å
668	Y	84.9	Confident	82.5	Confident	33 Å²	33	71.1 Å²	71.1	13%	0.129	42%	0.419	C	S	.	.			trans	-67.9	117.1	-178.7	-174.8	-88.5	0	0	0	110.8	Y369 Q406 H408 E422 A670	Y369-Y668 AromaticContact CE1-CE1 3.98Å; Y369-Y668 HydrophobicContact CE1-CE1 3.98Å; Y369-Y668 AromaticContact CE1-CZ 3.92Å; Q406-Y668 HydrophobicContact CB-CD2 4.08Å; Q406-Y668 HydrophobicContact CB-CE2 3.86Å; H408-Y668 HydrophobicContact CB-CD1 4.38Å; H408-Y668 HydrophobicContact CB-CD2 3.88Å; H408-Y668 HydrophobicContact CB-CE1 4.4Å; H408-Y668 HydrophobicContact CB-CE2 3.9Å; H408-Y668 HydrophobicContact CB-CG 4.11Å; H408-Y668 AromaticContact CD2-CD1 3.54Å; H408-Y668 AromaticContact CD2-CE1 3.87Å; H408-Y668 AromaticContact CD2-CG 3.86Å; E422-Y668 HydrophobicContact CB-CE2 4.23Å; E422-Y668 WeakPolarHBondContact CB-OH 3.5Å; Y668-A670 HydrophobicContact CE1-CB 4.24Å
669	V	75.3	Confident	82	Confident	107 Å²	107	76.1 Å²	76.1	65%	0.648	45%	0.448	S	S	*	.			trans	-104.2	119	172.1	-175.4	0	0	0	0	108	E667	E667-V669 PolarHBondContact O-N 2.74Å; E667-V669 VanDerWaalsContact O-N 3.16Å
670	A	69.1	Low	81.5	Confident	34 Å²	34	71.6 Å²	71.6	28%	0.281	43%	0.429	S	S	.	.			trans	-62.3	131.2	175.1	0	0	0	0	0	109.6	Y668 N672	Y668-A670 HydrophobicContact CE1-CB 4.24Å; A670-N672 PolarHBondContact O-N 2.8Å
671	P	63.1	Low	80.9	Confident	81 Å²	81	73.6 Å²	73.6	53%	0.526	42%	0.423	S	S	.	.			trans	-62.5	130.7	174.6	22.2	-28.8	0	0	0	109.9
672	N	45.2	Very low	79.8	Confident	192 Å²	192	80.3 Å²	80.3	100%	1.027	46%	0.461	S	S	*	.			trans	-67.8	0	-179.9	-84.3	-28.8	0	0	0	113.8	R625 A670	R625-N672 PolarHBondContact NH2-OXT 3.12Å; A670-N672 PolarHBondContact O-N 2.8Å

Retrieved 672 of 672 residues in 2242.9 ms (Link to these results)

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