A0A077Z082_TRITR Loading...

TK protein kinase

AlphaFold DB , UniProt , Accession A0A077Z082, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 766 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	33.8	Very low	227 Å²	227	149.2 Å²	149.2	100%	1.118	78%	0.78	S	S	*	*				0	98.3	0	-80.2	-167.1	-176.2	0	0	105.8	F3	M1-F3 PolarHBondContact O-N 3.49Å; M1-F3 VanDerWaalsContact O-N 3.11Å
2	D	33.3	Very low	34.6	Very low	157 Å²	157	150.3 Å²	150.3	84%	0.84	79%	0.787	S	S	*	*			trans	-65.8	111.4	174.5	-66.1	-38.6	0	0	0	107.3	I4	D2-I4 PolarHBondContact O-N 3.44Å
3	F	32.9	Very low	36	Very low	183 Å²	183	147.2 Å²	147.2	80%	0.803	77%	0.77	S	S	*	*			trans	-65.7	88.5	168.3	-84.2	-92.8	0	0	0	107	M1 Y5	M1-F3 PolarHBondContact O-N 3.49Å; M1-F3 VanDerWaalsContact O-N 3.11Å; F3-Y5 VanDerWaalsContact C-N 3.28Å; F3-Y5 PolarHBondContact O-N 3.48Å
4	I	33.2	Very low	38	Very low	148 Å²	148	141.6 Å²	141.6	76%	0.759	76%	0.756	S	S	*	*			trans	-64.8	98.6	164	-61.1	174.2	0	0	0	104.9	D2	D2-I4 PolarHBondContact O-N 3.44Å
5	Y	30.2	Very low	40.3	Very low	188 Å²	188	136.3 Å²	136.3	74%	0.737	72%	0.722	S	S	*	*			trans	-50.4	124.7	167.1	-78.2	-88.4	0	0	0	107.4	F3 T7	F3-Y5 VanDerWaalsContact C-N 3.28Å; F3-Y5 PolarHBondContact O-N 3.48Å; Y5-T7 VanDerWaalsContact C-N 3.34Å; Y5-T7 PolarHBondContact O-N 3.3Å
6	P	32.1	Very low	42.7	Very low	123 Å²	123	127.8 Å²	127.8	80%	0.799	68%	0.677	S	S	*	*			trans	-64.3	101.6	177.8	25.2	-30.2	0	0	0	107	C8	P6-C8 PolarHBondContact O-N 3.4Å
7	T	33.3	Very low	44.9	Very low	115 Å²	115	128.2 Å²	128.2	71%	0.706	67%	0.671	S	S	*	*			trans	-59.7	110.6	169.8	40.7	0	0	0	0	106.3	Y5 T9	Y5-T7 VanDerWaalsContact C-N 3.34Å; Y5-T7 PolarHBondContact O-N 3.3Å; T7-T9 VanDerWaalsContact C-N 3.3Å; T7-T9 PolarHBondContact O-N 2.93Å; T7-T9 PolarHBondContact O-OG1 3.44Å
8	C	33	Very low	47.1	Very low	92 Å²	92	123.1 Å²	123.1	62%	0.622	65%	0.647	S	S	*	*			trans	-56.8	96.8	175.2	-177.1	0	0	0	0	108.3	P6 K10	P6-C8 PolarHBondContact O-N 3.4Å; C8-K10 PolarHBondContact O-N 3.14Å; C8-K10 VanDerWaalsContact O-N 3.16Å
9	T	35.4	Very low	49.2	Very low	128 Å²	128	116.7 Å²	116.7	79%	0.785	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-6.8	-176.4	9.3	0	0	0	0	111.9	T7	T7-T9 VanDerWaalsContact C-N 3.3Å; T7-T9 PolarHBondContact O-N 2.93Å; T7-T9 PolarHBondContact O-OG1 3.44Å
10	K	34.3	Very low	51.1	Low	197 Å²	197	113.3 Å²	113.3	86%	0.857	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-1.8	-178.3	-92.7	-172	174.1	-178.1	0	116	C8	C8-K10 PolarHBondContact O-N 3.14Å; C8-K10 VanDerWaalsContact O-N 3.16Å
11	C	39.1	Very low	52.9	Low	83 Å²	83	113 Å²	113	56%	0.561	60%	0.601	S	S	*	*			trans	-132.8	31.1	-179.9	-65.6	0	0	0	0	115.2	L13	C11-L13 PolarHBondContact O-N 3.25Å
12	L	44.1	Very low	55.6	Low	163 Å²	163	102.9 Å²	102.9	85%	0.853	55%	0.552	S	S	*	*			trans	-72.1	58.7	153.4	-75.5	166.8	0	0	0	108.8	A14	L12-A14 PolarHBondContact O-N 3.49Å
13	L	52.1	Low	58.5	Low	110 Å²	110	99 Å²	99	58%	0.576	54%	0.535	S	S	*	.			trans	-57	112.2	158.5	-86.6	156.9	0	0	0	104.8	C11 Y15	C11-L13 PolarHBondContact O-N 3.25Å; L13-Y15 HydrophobicContact CB-CE2 4.47Å; L13-Y15 WeakPolarHBondContact O-CD2 2.98Å; L13-Y15 PolarHBondContact O-N 3.2Å
14	A	63.6	Low	61.4	Low	69 Å²	69	91.3 Å²	91.3	57%	0.57	50%	0.503	S	S	*	.			trans	-65.8	89.3	172.8	0	0	0	0	0	107.1	L12 N50	L12-A14 PolarHBondContact O-N 3.49Å; A14-N50 PolarHBondContact O-ND2 3.46Å
15	Y	73.8	Confident	64.2	Low	62 Å²	62	87.9 Å²	87.9	24%	0.243	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-58.7	139	176	-67.2	-77.6	0	0	0	109	L13 K17 P124 V126 Y132	L13-Y15 HydrophobicContact CB-CE2 4.47Å; L13-Y15 WeakPolarHBondContact O-CD2 2.98Å; L13-Y15 PolarHBondContact O-N 3.2Å; Y15-K17 PolarHBondContact O-N 3.43Å; Y15-P124 HydrophobicContact CD1-CB 4.21Å; Y15-P124 HydrophobicContact CD1-CG 4.16Å; Y15-P124 WeakPolarHBondContact CD1-O 3.5Å; Y15-P124 HydrophobicContact CE1-CB 4.18Å; Y15-P124 HydrophobicContact CE1-CG 4.4Å; Y15-V126 HydrophobicContact CD2-CG2 3.65Å; Y15-V126 HydrophobicContact CE1-CG2 4.43Å; Y15-V126 HydrophobicContact CE2-CG2 3.17Å; Y15-V126 HydrophobicContact CG-CG2 4.45Å; Y15-Y132 VanDerWaalsContact CB-CE1 3.43Å; Y15-Y132 HydrophobicContact CG-CE1 4.47Å
16	A	78	Confident	67.2	Low	0 Å²	0	80.2 Å²	80.2	0%	0	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-59.6	135.3	-178.6	0	0	0	0	0	110.2	D48 R51	A16-D48 VanDerWaalsContact CA-OD2 3.26Å; A16-D48 WeakPolarHBondContact CA-OD2 3.45Å; A16-D48 HydrophobicContact CB-CB 4.08Å; A16-D48 WeakPolarHBondContact CB-OD2 3.5Å; A16-R51 HydrophobicContact CB-CB 3.66Å; A16-R51 HydrophobicContact CB-CG 4.16Å
17	K	81	Confident	69.9	Low	135 Å²	135	76 Å²	76	59%	0.587	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-53.4	148.2	177	-73.1	-178.2	-175.6	170.3	0	110.6	Y15 R51 S122	Y15-K17 PolarHBondContact O-N 3.43Å; K17-R51 PolarHBondContact O-NH2 2.86Å; K17-S122 PolarHBondContact O-OG 2.81Å
18	P	84.4	Confident	72.3	Confident	36 Å²	36	72 Å²	72	23%	0.234	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-63.7	158	176.4	29.6	-36.4	0	0	0	111	N131 V134	P18-N131 WeakPolarHBondContact CG-O 3.27Å; P18-V134 HydrophobicContact CB-CG2 4.13Å; P18-V134 HydrophobicContact CG-CG2 4.35Å
19	P	86.1	Confident	74.4	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.006	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-54.3	151.2	171.6	-29.6	40.3	0	0	0	113	V22 W43 F54 L120 V134	P19-V22 HydrophobicContact CB-CG2 4.35Å; P19-W43 HydrophobicContact CB-CB 4.2Å; P19-W43 HydrophobicContact CB-CG 4.09Å; P19-F54 HydrophobicContact CG-CD1 3.63Å; P19-F54 HydrophobicContact CG-CE1 3.79Å; P19-L120 HydrophobicContact CB-CD2 3.51Å; P19-L120 HydrophobicContact CB-CG 4.29Å; P19-L120 HydrophobicContact CG-CB 4.38Å; P19-L120 HydrophobicContact CG-CD2 3.5Å; P19-L120 HydrophobicContact CG-CG 3.82Å; P19-V134 WeakPolarHBondContact O-CG2 3.48Å
20	A	87.2	Confident	76	Confident	48 Å²	48	74.4 Å²	74.4	40%	0.397	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	168.1	176.1	0	0	0	0	0	111.3	V22 D44	A20-V22 PolarHBondContact O-N 3.04Å; A20-V22 VanDerWaalsContact O-N 3.15Å; A20-D44 PolarHBondContact N-O 2.82Å; A20-D44 PolarHBondContact O-N 3.3Å
21	N	89.3	Confident	77.3	Confident	108 Å²	108	68.3 Å²	68.3	58%	0.578	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.7	39.1	174.8	-61.5	-23.8	0	0	0	114.3	T23 D44	N21-T23 PolarHBondContact O-N 3.02Å; N21-T23 VanDerWaalsContact O-N 3.14Å; N21-D44 HydrophobicContact CB-CB 4.33Å; N21-D44 PolarHBondContact ND2-OD2 3.23Å
22	V	91.7	Very high	78.6	Confident	15 Å²	15	75 Å²	75	9%	0.091	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	115.7	179	-175.1	0	0	0	0	109.3	P19 A20 V41 H42 W43 V118 L120 V134 V136	P19-V22 HydrophobicContact CB-CG2 4.35Å; A20-V22 PolarHBondContact O-N 3.04Å; A20-V22 VanDerWaalsContact O-N 3.15Å; V22-V41 HydrophobicContact CG1-CG1 4.02Å; V22-H42 CarbonylContact C-O 3.47Å; V22-H42 VanDerWaalsContact CA-O 3.3Å; V22-H42 WeakPolarHBondContact CA-O 3.43Å; V22-W43 HydrophobicContact CG2-CB 3.97Å; V22-V118 HydrophobicContact CG1-CG1 4.25Å; V22-L120 HydrophobicContact CG2-CB 4.42Å; V22-L120 HydrophobicContact CG2-CD2 4.09Å; V22-V134 HydrophobicContact CB-CG1 4.09Å; V22-V134 HydrophobicContact CG2-CB 4.19Å; V22-V134 HydrophobicContact CG2-CG1 3.58Å; V22-V136 HydrophobicContact CB-CG1 4.2Å; V22-V136 HydrophobicContact CB-CG2 4.17Å; V22-V136 HydrophobicContact CG1-CG2 3.71Å
23	T	93	Very high	79.1	Confident	76 Å²	76	72.6 Å²	72.6	47%	0.466	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	158	177.4	56.3	0	0	0	0	109.9	N21 V41 H42	N21-T23 PolarHBondContact O-N 3.02Å; N21-T23 VanDerWaalsContact O-N 3.14Å; T23-V41 CarbonylContact O-C 3.46Å; T23-V41 WeakPolarHBondContact O-CA 3.33Å; T23-H42 PolarHBondContact N-O 2.96Å; T23-H42 PolarHBondContact O-N 3.44Å
24	V	93.9	Very high	79.2	Confident	21 Å²	21	69.7 Å²	69.7	13%	0.127	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.7	176.9	-173.4	0	0	0	0	108.1	F26 A39 V40 V41 F58 V118 V138	V24-F26 HydrophobicContact CB-CE2 4.39Å; V24-F26 HydrophobicContact CB-CZ 4.19Å; V24-F26 HydrophobicContact CG1-CD1 4.33Å; V24-F26 HydrophobicContact CG1-CE1 3.71Å; V24-F26 HydrophobicContact CG1-CE2 4.11Å; V24-F26 HydrophobicContact CG1-CZ 3.58Å; V24-A39 HydrophobicContact CG1-CB 4.04Å; V24-V40 WeakPolarHBondContact CA-O 3.32Å; V24-V41 HydrophobicContact CG2-CG2 4.3Å; V24-F58 HydrophobicContact CG1-CE2 4.27Å; V24-V118 HydrophobicContact CG2-CG2 3.69Å; V24-V138 HydrophobicContact CB-CB 4.39Å; V24-V138 HydrophobicContact CB-CG1 4.01Å; V24-V138 HydrophobicContact CB-CG2 4.04Å; V24-V138 HydrophobicContact CG1-CG2 4.42Å; V24-V138 HydrophobicContact CG2-CB 4.39Å; V24-V138 HydrophobicContact CG2-CG1 3.79Å; V24-V138 HydrophobicContact CG2-CG2 3.85Å
25	V	93	Very high	79.3	Confident	76 Å²	76	71.2 Å²	71.2	46%	0.461	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125	175.1	179.1	0	0	0	0	108	V40	V25-V40 PolarHBondContact N-O 3.44Å; V25-V40 PolarHBondContact O-N 2.75Å
26	F	93.1	Very high	79.4	Confident	26 Å²	26	71.7 Å²	71.7	11%	0.114	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.2	173.7	-58.4	-73.4	0	0	0	109.5	V24 K38 A39 V138 I140 V144	V24-F26 HydrophobicContact CB-CE2 4.39Å; V24-F26 HydrophobicContact CB-CZ 4.19Å; V24-F26 HydrophobicContact CG1-CD1 4.33Å; V24-F26 HydrophobicContact CG1-CE1 3.71Å; V24-F26 HydrophobicContact CG1-CE2 4.11Å; V24-F26 HydrophobicContact CG1-CZ 3.58Å; F26-K38 CarbonylContact C-O 3.46Å; F26-K38 VanDerWaalsContact CA-O 3.28Å; F26-K38 WeakPolarHBondContact CA-O 3.49Å; F26-A39 HydrophobicContact CD1-CB 3.84Å; F26-A39 HydrophobicContact CE1-CB 3.76Å; F26-V138 HydrophobicContact CE2-CB 4.33Å; F26-V138 HydrophobicContact CE2-CG2 4.29Å; F26-V138 HydrophobicContact CZ-CB 4.27Å; F26-V138 HydrophobicContact CZ-CG2 3.74Å; F26-I140 HydrophobicContact CD1-CD1 3.9Å; F26-I140 HydrophobicContact CD1-CG1 3.92Å; F26-I140 HydrophobicContact CD2-CG1 4.32Å; F26-I140 HydrophobicContact CE1-CD1 3.67Å; F26-I140 HydrophobicContact CE1-CG1 3.54Å; F26-I140 HydrophobicContact CE2-CG1 3.98Å; F26-I140 HydrophobicContact CG-CG1 4.29Å; F26-I140 HydrophobicContact CZ-CD1 4.23Å; F26-I140 HydrophobicContact CZ-CG1 3.57Å; F26-V144 HydrophobicContact CB-CG1 4.05Å; F26-V144 HydrophobicContact CB-CG2 4.06Å; F26-V144 VanDerWaalsContact O-CG1 3.23Å; F26-V144 WeakPolarHBondContact O-CG1 3.22Å
27	S	89.7	Confident	79.7	Confident	35 Å²	35	72.2 Å²	72.2	25%	0.245	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	169.6	174.1	60.3	0	0	0	0	111	K38 D145	S27-K38 PolarHBondContact N-O 3.42Å; S27-K38 PolarHBondContact O-N 2.85Å; S27-D145 VanDerWaalsContact CA-OD2 3.22Å; S27-D145 WeakPolarHBondContact CA-OD2 3.35Å; S27-D145 WeakPolarHBondContact CB-OD2 3.31Å
28	V	82.4	Confident	80	Confident	30 Å²	30	67.8 Å²	67.8	18%	0.182	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.5	178.4	-177.9	0	0	0	0	110.4	K35 V144 D145 Y147	V28-K35 HydrophobicContact CG1-CB 4.01Å; V28-K35 HydrophobicContact CG1-CD 4.36Å; V28-K35 HydrophobicContact CG1-CG 4.29Å; V28-V144 HydrophobicContact CG2-CB 4.4Å; V28-V144 HydrophobicContact CG2-CG1 4.24Å; V28-V144 WeakPolarHBondContact CG2-O 3.41Å; V28-D145 HydrophobicContact CB-CB 4.21Å; V28-D145 HydrophobicContact CG2-CB 3.81Å; V28-D145 PolarHBondContact N-OD2 3.37Å; V28-Y147 HydrophobicContact CG1-CD1 4.18Å; V28-Y147 HydrophobicContact CG1-CG 4.43Å; V28-Y147 HydrophobicContact CG2-CD1 3.96Å; V28-Y147 HydrophobicContact CG2-CG 4.2Å
29	R	77.2	Confident	80.3	Confident	112 Å²	112	66.1 Å²	66.1	42%	0.423	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.6	170	-167.6	173.2	-179.1	171.6	-3.7	109.3	H36 K38 E97	R29-H36 PolarHBondContact N-O 3.23Å; R29-H36 PolarHBondContact O-N 2.94Å; R29-K38 HydrophobicContact CB-CB 4.4Å; R29-E97 IonicContact NH1-OE1 2.63Å
30	K	70.1	Confident	80.6	Confident	160 Å²	160	67 Å²	67	70%	0.696	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	120.8	170.2	-65.9	179.1	-176.2	175.4	0	108.2	K35	K30-K35 HydrophobicContact CG-CG 4.24Å
31	Q	60.3	Low	80.9	Confident	69 Å²	69	64.8 Å²	64.8	32%	0.322	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	108.8	173.7	-166.9	170.3	-10.8	0	0	107.6	A33 S34	Q31-A33 PolarHBondContact O-N 3.35Å; Q31-S34 PolarHBondContact N-O 2.96Å; Q31-S34 PolarHBondContact O-N 2.87Å; Q31-S34 PolarHBondContact O-OG 2.87Å
32	Y	65.9	Low	81.1	Confident	224 Å²	224	62.7 Å²	62.7	88%	0.878	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-129.2	-169.9	-49.2	-76.6	0	0	0	112	S34	Y32-S34 VanDerWaalsContact C-N 3.27Å; Y32-S34 PolarHBondContact O-N 3.3Å
33	A	54.7	Low	81.2	Confident	111 Å²	111	62.1 Å²	62.1	92%	0.917	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.4	177.3	0	0	0	0	0	114	Q31	Q31-A33 PolarHBondContact O-N 3.35Å
34	S	54.5	Low	80.9	Confident	49 Å²	49	60.2 Å²	60.2	34%	0.343	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.2	-173.1	66.5	0	0	0	0	112.5	Q31 Y32 H36	Q31-S34 PolarHBondContact N-O 2.96Å; Q31-S34 PolarHBondContact O-N 2.87Å; Q31-S34 PolarHBondContact O-OG 2.87Å; Y32-S34 VanDerWaalsContact C-N 3.27Å; Y32-S34 PolarHBondContact O-N 3.3Å; S34-H36 VanDerWaalsContact CB-NE2 3.35Å; S34-H36 WeakPolarHBondContact CB-NE2 3.48Å; S34-H36 PolarHBondContact OG-NE2 3.08Å
35	K	65.9	Low	80.5	Confident	102 Å²	102	59.6 Å²	59.6	44%	0.443	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.1	175.1	-68.5	-178.4	-174.3	175.5	0	109.2	V28 K30 Y147	V28-K35 HydrophobicContact CG1-CB 4.01Å; V28-K35 HydrophobicContact CG1-CD 4.36Å; V28-K35 HydrophobicContact CG1-CG 4.29Å; K30-K35 HydrophobicContact CG-CG 4.24Å; K35-Y147 HydrophobicContact CB-CD1 4.44Å; K35-Y147 HydrophobicContact CB-CD2 4.48Å; K35-Y147 HydrophobicContact CB-CE1 4.21Å; K35-Y147 HydrophobicContact CB-CE2 4.25Å; K35-Y147 HydrophobicContact CD-CD2 4.09Å; K35-Y147 HydrophobicContact CD-CE2 4.43Å; K35-Y147 HydrophobicContact CD-CG 4.43Å; K35-Y147 PolarHBondContact O-OH 3.44Å
36	H	76.6	Confident	79.8	Confident	71 Å²	71	62.5 Å²	62.5	33%	0.329	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.7	-179.9	-56.9	-73.4	0	0	0	110.6	R29 S34	R29-H36 PolarHBondContact N-O 3.23Å; R29-H36 PolarHBondContact O-N 2.94Å; S34-H36 VanDerWaalsContact CB-NE2 3.35Å; S34-H36 WeakPolarHBondContact CB-NE2 3.48Å; S34-H36 PolarHBondContact OG-NE2 3.08Å
37	L	83	Confident	78.9	Confident	11 Å²	11	66.6 Å²	66.6	6%	0.058	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.1	170.3	-76.3	169.3	0	0	0	109.6	L110 F112 I140 V144	L37-L110 HydrophobicContact CB-CB 3.81Å; L37-L110 HydrophobicContact CB-CD1 4.4Å; L37-L110 HydrophobicContact CD1-CB 4.39Å; L37-F112 HydrophobicContact CD1-CD1 3.82Å; L37-F112 HydrophobicContact CD1-CD2 4.19Å; L37-F112 HydrophobicContact CD1-CE1 3.83Å; L37-F112 HydrophobicContact CD1-CE2 4.15Å; L37-F112 HydrophobicContact CD1-CG 4.04Å; L37-F112 HydrophobicContact CD1-CZ 3.99Å; L37-F112 HydrophobicContact CD2-CD1 4.42Å; L37-F112 HydrophobicContact CD2-CE1 3.71Å; L37-F112 HydrophobicContact CD2-CZ 3.94Å; L37-F112 HydrophobicContact CG-CE1 4.17Å; L37-F112 HydrophobicContact CG-CZ 4.11Å; L37-I140 HydrophobicContact CD1-CD1 4.24Å; L37-I140 HydrophobicContact CD1-CG2 3.98Å; L37-V144 HydrophobicContact CD2-CB 3.89Å; L37-V144 HydrophobicContact CD2-CG1 4.26Å; L37-V144 HydrophobicContact CD2-CG2 3.97Å
38	K	87.6	Confident	78.3	Confident	42 Å²	42	67.2 Å²	67.2	18%	0.183	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.8	174.6	169.3	176.2	164.2	158.5	0	108.6	F26 S27 R29 V40 E97	F26-K38 CarbonylContact C-O 3.46Å; F26-K38 VanDerWaalsContact CA-O 3.28Å; F26-K38 WeakPolarHBondContact CA-O 3.49Å; S27-K38 PolarHBondContact N-O 3.42Å; S27-K38 PolarHBondContact O-N 2.85Å; R29-K38 HydrophobicContact CB-CB 4.4Å; K38-V40 HydrophobicContact CG-CG2 4.41Å; K38-E97 HydrophobicContact CD-CG 4.48Å; K38-E97 WeakPolarHBondContact CD-OE1 3.47Å; K38-E97 WeakPolarHBondContact CE-OE1 3.34Å; K38-E97 VanDerWaalsContact CE-OE2 3.31Å; K38-E97 WeakPolarHBondContact CE-OE2 3.39Å; K38-E97 HydrophobicContact CG-CG 4.5Å; K38-E97 IonicContact NZ-OE1 3.15Å; K38-E97 PolarHBondContact NZ-OE1 3.47Å; K38-E97 IonicContact NZ-OE2 3.45Å; K38-E97 PolarHBondContact NZ-OE2 2.79Å
39	A	92.2	Very high	78.1	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.6	172.8	0	0	0	0	0	110.4	V24 F26 F58 I98 L110	V24-A39 HydrophobicContact CG1-CB 4.04Å; F26-A39 HydrophobicContact CD1-CB 3.84Å; F26-A39 HydrophobicContact CE1-CB 3.76Å; A39-F58 HydrophobicContact CB-CE2 4.49Å; A39-F58 HydrophobicContact CB-CZ 4.23Å; A39-I98 HydrophobicContact CB-CB 4.35Å; A39-I98 HydrophobicContact CB-CG1 4.06Å; A39-I98 PolarHBondContact O-N 2.83Å; A39-L110 HydrophobicContact CB-CD1 3.54Å
40	V	92.4	Very high	78.2	Confident	21 Å²	21	69.5 Å²	69.5	13%	0.127	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.7	170.7	-173.2	0	0	0	0	107.9	V24 V25 K38 H42 W96 E97	V24-V40 WeakPolarHBondContact CA-O 3.32Å; V25-V40 PolarHBondContact N-O 3.44Å; V25-V40 PolarHBondContact O-N 2.75Å; K38-V40 HydrophobicContact CG-CG2 4.41Å; V40-H42 WeakPolarHBondContact CG1-NE2 3.45Å; V40-H42 PolarHBondContact O-CD2 2.89Å; V40-W96 WeakPolarHBondContact CA-O 3.49Å; V40-E97 HydrophobicContact CG2-CB 4.41Å
41	V	93.4	Very high	78.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127	176.1	-175.1	0	0	0	0	107.9	V22 T23 V24 W43 L56 F58 S95 W96 I98 V118	V22-V41 HydrophobicContact CG1-CG1 4.02Å; T23-V41 CarbonylContact O-C 3.46Å; T23-V41 WeakPolarHBondContact O-CA 3.33Å; V24-V41 HydrophobicContact CG2-CG2 4.3Å; V41-W43 HydrophobicContact CG1-CE3 4.2Å; V41-L56 HydrophobicContact CG1-CD1 4.45Å; V41-L56 HydrophobicContact CG2-CD1 4.38Å; V41-L56 HydrophobicContact CG2-CD2 4.43Å; V41-F58 HydrophobicContact CG2-CD2 4.09Å; V41-F58 HydrophobicContact CG2-CE2 4.34Å; V41-S95 CarbonylContact O-C 3.58Å; V41-S95 WeakPolarHBondContact O-CA 3.13Å; V41-W96 PolarHBondContact N-O 2.87Å; V41-W96 PolarHBondContact O-N 3.34Å; V41-I98 HydrophobicContact CG2-CD1 3.93Å; V41-I98 HydrophobicContact CG2-CG1 4.21Å; V41-V118 HydrophobicContact CG1-CG1 3.95Å; V41-V118 HydrophobicContact CG2-CG1 4.25Å
42	H	92.9	Very high	79.6	Confident	64 Å²	64	63.3 Å²	63.3	30%	0.296	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.9	175	-64.4	-94.1	0	0	0	110	V22 T23 V40 R94 S95	V22-H42 CarbonylContact C-O 3.47Å; V22-H42 VanDerWaalsContact CA-O 3.3Å; V22-H42 WeakPolarHBondContact CA-O 3.43Å; T23-H42 PolarHBondContact N-O 2.96Å; T23-H42 PolarHBondContact O-N 3.44Å; V40-H42 WeakPolarHBondContact CG1-NE2 3.45Å; V40-H42 PolarHBondContact O-CD2 2.89Å; H42-R94 VanDerWaalsContact CA-O 3.26Å; H42-R94 WeakPolarHBondContact CA-O 3.37Å; H42-S95 WeakPolarHBondContact ND1-CB 3.4Å
43	W	92.8	Very high	80.3	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.5	174.5	68	95.7	0	0	0	111.2	P19 V22 V41 F54 I77 R94 W96 L120	P19-W43 HydrophobicContact CB-CB 4.2Å; P19-W43 HydrophobicContact CB-CG 4.09Å; V22-W43 HydrophobicContact CG2-CB 3.97Å; V41-W43 HydrophobicContact CG1-CE3 4.2Å; W43-F54 HydrophobicContact CZ2-CB 4.48Å; W43-F54 AromaticContact CZ2-CD2 3.92Å; W43-F54 HydrophobicContact CZ2-CD2 3.92Å; W43-F54 HydrophobicContact CZ2-CE2 4.29Å; W43-F54 HydrophobicContact CZ2-CG 4.08Å; W43-F54 AromaticContact NE1-CD1 3.72Å; W43-F54 AromaticContact NE1-CE1 3.47Å; W43-F54 AromaticContact NE1-CE2 3.95Å; W43-F54 AromaticContact NE1-CZ 3.6Å; W43-I77 HydrophobicContact CH2-CD1 4.32Å; W43-I77 HydrophobicContact CH2-CG2 4.23Å; W43-I77 HydrophobicContact CZ2-CG2 4.38Å; W43-R94 HydrophobicContact CD2-CB 3.92Å; W43-R94 HydrophobicContact CE3-CB 4.39Å; W43-R94 HydrophobicContact CG-CB 4.43Å; W43-R94 HydrophobicContact CH2-CB 4.15Å; W43-R94 HydrophobicContact CZ2-CB 3.66Å; W43-R94 HydrophobicContact CZ2-CG 4.5Å; W43-R94 HydrophobicContact CZ3-CB 4.49Å; W43-R94 PolarHBondContact N-O 2.92Å; W43-R94 PolarHBondContact O-N 3.24Å; W43-W96 HydrophobicContact CH2-CB 3.84Å; W43-W96 HydrophobicContact CZ3-CB 3.65Å; W43-L120 HydrophobicContact CB-CD2 3.78Å; W43-L120 HydrophobicContact CD2-CD2 3.46Å; W43-L120 VanDerWaalsContact CD2-CD2 3.46Å; W43-L120 HydrophobicContact CE3-CD2 3.93Å; W43-L120 HydrophobicContact CG-CD2 3.4Å
44	D	88.5	Confident	81.7	Confident	36 Å²	36	47.3 Å²	47.3	19%	0.193	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.2	168.4	-67.2	-26.7	0	0	0	109.3	A20 N21	A20-D44 PolarHBondContact N-O 2.82Å; A20-D44 PolarHBondContact O-N 3.3Å; N21-D44 HydrophobicContact CB-CB 4.33Å; N21-D44 PolarHBondContact ND2-OD2 3.23Å
45	A	83.9	Confident	82.8	Confident	7 Å²	7	45.4 Å²	45.4	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.3	170.5	0	0	0	0	0	109.9	F54 S92	A45-F54 HydrophobicContact CB-CE1 3.73Å; A45-F54 HydrophobicContact CB-CZ 3.59Å; A45-S92 PolarHBondContact N-O 3.36Å; A45-S92 PolarHBondContact O-OG 2.91Å
46	E	78.6	Confident	83.6	Confident	138 Å²	138	40.5 Å²	40.5	65%	0.645	22%	0.216	S	C	*	.			trans	-65.3	144.7	171.6	-66.6	178.2	173.1	0	0	109.7	D48 R51	E46-D48 PolarHBondContact O-N 3.4Å; E46-R51 PolarHBondContact O-NH1 3.01Å
47	T	74.9	Confident	83.9	Confident	111 Å²	111	38 Å²	38	68%	0.681	21%	0.205	S	C	*	.			trans	-64.6	122.8	174.4	-29.7	0	0	0	0	109
48	D	77.3	Confident	84	Confident	49 Å²	49	37.4 Å²	37.4	26%	0.262	20%	0.202	S	C	.	.			trans	-138.3	119.4	-177.9	-170.4	-39.2	0	0	0	107.7	A16 E46 N50 R51	A16-D48 VanDerWaalsContact CA-OD2 3.26Å; A16-D48 WeakPolarHBondContact CA-OD2 3.45Å; A16-D48 HydrophobicContact CB-CB 4.08Å; A16-D48 WeakPolarHBondContact CB-OD2 3.5Å; E46-D48 PolarHBondContact O-N 3.4Å; D48-N50 PolarHBondContact O-N 3.48Å; D48-N50 WeakPolarHBondContact OD1-CB 3.49Å; D48-N50 PolarHBondContact OD1-N 2.85Å; D48-R51 HydrophobicContact CB-CB 4.14Å; D48-R51 WeakPolarHBondContact O-CB 3.44Å; D48-R51 PolarHBondContact O-N 2.85Å
49	S	77.5	Confident	83.8	Confident	121 Å²	121	35.9 Å²	35.9	85%	0.846	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.7	-177.6	54.6	0	0	0	0	112.9	R51	S49-R51 VanDerWaalsContact C-N 3.32Å
50	N	78.6	Confident	83.2	Confident	69 Å²	69	35.9 Å²	35.9	37%	0.369	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.7	176.9	-60.5	-18.9	0	0	0	111.6	A14 D48 E52 P124	A14-N50 PolarHBondContact O-ND2 3.46Å; D48-N50 PolarHBondContact O-N 3.48Å; D48-N50 WeakPolarHBondContact OD1-CB 3.49Å; D48-N50 PolarHBondContact OD1-N 2.85Å; N50-E52 PolarHBondContact O-N 3.36Å; N50-P124 WeakPolarHBondContact O-CD 3.32Å
51	R	83.2	Confident	82.6	Confident	17 Å²	17	39.9 Å²	39.9	6%	0.064	21%	0.212	C	C	.	.			trans	-85.3	113.6	179.1	-165.2	-178.6	-61.5	120.7	0.7	111.3	A16 K17 E46 D48 S49 A53 A79 S122 E123	A16-R51 HydrophobicContact CB-CB 3.66Å; A16-R51 HydrophobicContact CB-CG 4.16Å; K17-R51 PolarHBondContact O-NH2 2.86Å; E46-R51 PolarHBondContact O-NH1 3.01Å; D48-R51 HydrophobicContact CB-CB 4.14Å; D48-R51 WeakPolarHBondContact O-CB 3.44Å; D48-R51 PolarHBondContact O-N 2.85Å; S49-R51 VanDerWaalsContact C-N 3.32Å; R51-A53 WeakPolarHBondContact CG-O 3.3Å; R51-A79 HydrophobicContact CG-CB 4.47Å; R51-S122 PolarHBondContact NE-OG 2.86Å; R51-E123 CarbonylContact C-O 3.6Å; R51-E123 WeakPolarHBondContact CA-O 3.01Å
52	E	77.8	Confident	81.5	Confident	81 Å²	81	42 Å²	42	38%	0.379	23%	0.227	S	C	.	.			trans	-91.1	-37.1	177.6	-61	-170.8	169.2	0	0	113	N50 A79 E123	N50-E52 PolarHBondContact O-N 3.36Å; E52-A79 WeakPolarHBondContact O-CB 3.42Å; E52-A79 PolarHBondContact O-N 2.87Å; E52-A79 VanDerWaalsContact O-N 3.14Å; E52-E123 PolarHBondContact N-O 2.81Å
53	A	79.8	Confident	80.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	-175.9	-176.3	0	0	0	0	0	112	R51 K76 I77 E123	R51-A53 WeakPolarHBondContact CG-O 3.3Å; A53-K76 HydrophobicContact CB-CG 3.61Å; A53-I77 CarbonylContact C-O 3.55Å; A53-I77 VanDerWaalsContact CA-O 3.26Å; A53-I77 WeakPolarHBondContact CA-O 3.35Å; A53-I77 WeakPolarHBondContact CB-O 3.28Å; A53-E123 HydrophobicContact CB-CB 4.12Å; A53-E123 WeakPolarHBondContact CB-OE2 3.42Å; A53-E123 PolarHBondContact O-N 2.77Å
54	F	84.2	Confident	79.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.9	169.4	-53.7	-90.4	0	0	0	110.5	P19 W43 A45 I77 A79 R121	P19-F54 HydrophobicContact CG-CD1 3.63Å; P19-F54 HydrophobicContact CG-CE1 3.79Å; W43-F54 HydrophobicContact CZ2-CB 4.48Å; W43-F54 AromaticContact CZ2-CD2 3.92Å; W43-F54 HydrophobicContact CZ2-CD2 3.92Å; W43-F54 HydrophobicContact CZ2-CE2 4.29Å; W43-F54 HydrophobicContact CZ2-CG 4.08Å; W43-F54 AromaticContact NE1-CD1 3.72Å; W43-F54 AromaticContact NE1-CE1 3.47Å; W43-F54 AromaticContact NE1-CE2 3.95Å; W43-F54 AromaticContact NE1-CZ 3.6Å; A45-F54 HydrophobicContact CB-CE1 3.73Å; A45-F54 HydrophobicContact CB-CZ 3.59Å; F54-I77 HydrophobicContact CB-CB 4.18Å; F54-I77 PolarHBondContact N-O 2.89Å; F54-I77 PolarHBondContact O-N 3.49Å; F54-A79 HydrophobicContact CE2-CB 4.09Å; F54-R121 VanDerWaalsContact CA-O 3.25Å; F54-R121 WeakPolarHBondContact CA-O 3.42Å
55	Y	77.7	Confident	78.6	Confident	8 Å²	8	44.5 Å²	44.5	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132	169.9	176.6	-118.9	0	0	0	109.4	I57 A74 L75 L120 R121	Y55-I57 HydrophobicContact CD1-CD1 4.31Å; Y55-I57 HydrophobicContact CD1-CG1 4.17Å; Y55-I57 HydrophobicContact CE1-CD1 3.31Å; Y55-I57 HydrophobicContact CE1-CG1 3.31Å; Y55-I57 HydrophobicContact CE2-CG1 4.35Å; Y55-I57 VanDerWaalsContact CZ-CG1 3.41Å; Y55-I57 WeakPolarHBondContact OH-CG1 3.28Å; Y55-A74 WeakPolarHBondContact CD2-O 3.45Å; Y55-L75 HydrophobicContact CD2-CD2 4.16Å; Y55-L75 HydrophobicContact CE2-CD2 3.56Å; Y55-L75 HydrophobicContact CE2-CG 4.2Å; Y55-L120 WeakPolarHBondContact O-CA 3.41Å; Y55-R121 HydrophobicContact CD1-CG 4.37Å; Y55-R121 PolarHBondContact N-O 3.5Å; Y55-R121 PolarHBondContact O-N 3.43Å
56	L	83.5	Confident	78	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.1	-179.5	171.5	67.7	0	0	0	110.4	V41 Y72 Y73 A74 I77 W96 I98 V118 E119 L120	V41-L56 HydrophobicContact CG1-CD1 4.45Å; V41-L56 HydrophobicContact CG2-CD1 4.38Å; V41-L56 HydrophobicContact CG2-CD2 4.43Å; L56-Y72 HydrophobicContact CD2-CE1 4.3Å; L56-Y73 WeakPolarHBondContact O-CA 3.39Å; L56-A74 HydrophobicContact CB-CB 4.18Å; L56-A74 PolarHBondContact N-O 3.3Å; L56-A74 VanDerWaalsContact N-O 3.08Å; L56-A74 PolarHBondContact O-N 3.42Å; L56-I77 HydrophobicContact CB-CD1 3.71Å; L56-I77 HydrophobicContact CD2-CD1 4.07Å; L56-W96 HydrophobicContact CD2-CB 4.33Å; L56-W96 HydrophobicContact CD2-CG 4.08Å; L56-I98 HydrophobicContact CD2-CD1 3.85Å; L56-V118 HydrophobicContact CD1-CG1 3.59Å; L56-E119 WeakPolarHBondContact CA-O 3.19Å; L56-L120 HydrophobicContact CB-CD1 3.7Å; L56-L120 HydrophobicContact CD1-CD1 3.61Å; L56-L120 HydrophobicContact CG-CD1 4.18Å
57	I	81.9	Confident	77.3	Confident	17 Å²	17	40 Å²	40	9%	0.087	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.4	166.6	-55.2	167.3	0	0	0	108.4	Y55 T59 Y73 V118 E119	Y55-I57 HydrophobicContact CD1-CD1 4.31Å; Y55-I57 HydrophobicContact CD1-CG1 4.17Å; Y55-I57 HydrophobicContact CE1-CD1 3.31Å; Y55-I57 HydrophobicContact CE1-CG1 3.31Å; Y55-I57 HydrophobicContact CE2-CG1 4.35Å; Y55-I57 VanDerWaalsContact CZ-CG1 3.41Å; Y55-I57 WeakPolarHBondContact OH-CG1 3.28Å; I57-T59 HydrophobicContact CG2-CG2 3.56Å; I57-Y73 HydrophobicContact CB-CD1 4.39Å; I57-Y73 HydrophobicContact CB-CE1 4.49Å; I57-Y73 HydrophobicContact CG1-CD1 4Å; I57-Y73 HydrophobicContact CG1-CE1 4.37Å; I57-Y73 HydrophobicContact CG2-CD1 3.94Å; I57-Y73 HydrophobicContact CG2-CE1 3.59Å; I57-V118 CarbonylContact O-C 3.59Å; I57-V118 WeakPolarHBondContact O-CA 3.25Å; I57-E119 HydrophobicContact CB-CB 4.19Å; I57-E119 HydrophobicContact CD1-CG 4.38Å; I57-E119 WeakPolarHBondContact CD1-OE2 3.37Å; I57-E119 PolarHBondContact N-O 3.25Å; I57-E119 PolarHBondContact O-N 3.33Å
58	F	85.5	Confident	77	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.9	174.7	-167.6	-79.7	0	0	0	109.1	V24 A39 V41 F69 G71 Y72 I98 L110 Y116 V118	V24-F58 HydrophobicContact CG1-CE2 4.27Å; A39-F58 HydrophobicContact CB-CE2 4.49Å; A39-F58 HydrophobicContact CB-CZ 4.23Å; V41-F58 HydrophobicContact CG2-CD2 4.09Å; V41-F58 HydrophobicContact CG2-CE2 4.34Å; F58-F69 HydrophobicContact CD1-CD1 4.31Å; F58-F69 AromaticContact CD1-CE1 3.5Å; F58-F69 HydrophobicContact CD1-CE1 3.5Å; F58-F69 HydrophobicContact CD1-CE2 4.44Å; F58-F69 AromaticContact CD1-CZ 3.57Å; F58-F69 HydrophobicContact CD1-CZ 3.57Å; F58-F69 HydrophobicContact CE1-CE1 4.13Å; F58-F69 HydrophobicContact CE1-CZ 4.07Å; F58-F69 WeakPolarHBondContact O-CE1 3.28Å; F58-G71 CarbonylContact O-C 3.52Å; F58-G71 VanDerWaalsContact O-CA 3.26Å; F58-G71 WeakPolarHBondContact O-CA 3.25Å; F58-Y72 PolarHBondContact N-O 3.3Å; F58-Y72 PolarHBondContact O-N 3.02Å; F58-I98 HydrophobicContact CB-CD1 3.87Å; F58-I98 HydrophobicContact CD2-CD1 3.81Å; F58-I98 HydrophobicContact CD2-CG1 3.96Å; F58-I98 HydrophobicContact CE2-CG1 4.24Å; F58-I98 HydrophobicContact CG-CD1 3.86Å; F58-I98 HydrophobicContact CG-CG1 4.14Å; F58-L110 HydrophobicContact CE1-CD2 3.75Å; F58-L110 HydrophobicContact CZ-CD2 4.28Å; F58-Y116 HydrophobicContact CD1-CD1 4.2Å; F58-Y116 AromaticContact CE1-CD1 3.43Å; F58-Y116 HydrophobicContact CE1-CD1 3.43Å; F58-Y116 VanDerWaalsContact CE1-CD1 3.43Å; F58-Y116 HydrophobicContact CE1-CE1 4.21Å; F58-Y116 AromaticContact CE1-CG 3.65Å; F58-Y116 HydrophobicContact CE1-CG 3.65Å; F58-Y116 HydrophobicContact CZ-CD1 4.1Å; F58-Y116 AromaticContact CZ-CG 3.83Å; F58-Y116 HydrophobicContact CZ-CG 3.83Å; F58-V118 HydrophobicContact CD2-CB 4.42Å; F58-V118 HydrophobicContact CD2-CG1 4.43Å; F58-V118 HydrophobicContact CD2-CG2 3.44Å; F58-V118 VanDerWaalsContact CD2-CG2 3.44Å; F58-V118 HydrophobicContact CE2-CG2 3.48Å; F58-V118 VanDerWaalsContact CE2-CG2 3.48Å; F58-V118 HydrophobicContact CG-CG2 4.48Å
59	T	83	Confident	76.8	Confident	9 Å²	9	35.7 Å²	35.7	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.7	-169.6	50.1	0	0	0	0	112	I57 Y73 Y116 R117 G615	I57-T59 HydrophobicContact CG2-CG2 3.56Å; T59-Y73 HydrophobicContact CG2-CE1 4.44Å; T59-Y116 CarbonylContact O-C 3.6Å; T59-Y116 WeakPolarHBondContact O-CA 3.26Å; T59-R117 PolarHBondContact N-O 3.47Å; T59-R117 PolarHBondContact O-N 2.98Å; T59-R117 PolarHBondContact OG1-O 2.8Å; T59-G615 VanDerWaalsContact CG2-CA 3.49Å
60	A	81.1	Confident	76.2	Confident	2 Å²	2	30.3 Å²	30.3	2%	0.017	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	143.8	173.7	0	0	0	0	0	111.3	C65 E66 Y116	A60-C65 HydrophobicContact CB-CB 3.89Å; A60-E66 HydrophobicContact CB-CB 3.91Å; A60-E66 HydrophobicContact CB-CG 4.35Å; A60-Y116 HydrophobicContact CB-CD1 4.07Å; A60-Y116 HydrophobicContact CB-CE1 3.9Å
61	K	78.9	Confident	75.9	Confident	105 Å²	105	27.2 Å²	27.2	46%	0.457	15%	0.149	S	C	.	.	S	Bend	trans	-89.1	-22.3	178.2	-67.5	-156.8	74.5	172.2	0	114.3	R115 R117 T137	K61-R115 HydrophobicContact CB-CB 4.2Å; K61-R115 HydrophobicContact CD-CB 4.45Å; K61-R115 HydrophobicContact CG-CB 4.39Å; K61-R115 PolarHBondContact N-O 3.39Å; K61-R117 HydrophobicContact CD-CB 4.44Å; K61-R117 HydrophobicContact CG-CB 4.08Å; K61-T137 HydrophobicContact CD-CG2 3.55Å; K61-T137 HydrophobicContact CG-CG2 4.49Å
62	S	71.2	Confident	75.6	Confident	45 Å²	45	28.3 Å²	28.3	32%	0.315	15%	0.153	S	C	.	.	S	Bend	trans	-113.6	142	-178.8	51.3	0	0	0	0	110.2	A64 C65 E66	S62-A64 VanDerWaalsContact C-N 3.33Å; S62-A64 PolarHBondContact O-N 2.94Å; S62-C65 PolarHBondContact O-N 3.42Å; S62-C65 PolarHBondContact OG-SG 2.83Å; S62-E66 PolarHBondContact O-N 3.24Å
63	E	65.2	Low	75.3	Confident	79 Å²	79	26 Å²	26	37%	0.369	14%	0.141	S	C	.	.	H	α-helix	trans	-55.5	-47.5	-176.5	-171.3	175.4	-178.8	0	0	111.5	C65 E66 L67 L569 R614	E63-C65 PolarHBondContact O-N 3.26Å; E63-E66 PolarHBondContact O-N 2.82Å; E63-L67 WeakPolarHBondContact O-CG 3.29Å; E63-L67 PolarHBondContact O-N 3.37Å; E63-L67 VanDerWaalsContact O-N 3.15Å; E63-L569 WeakPolarHBondContact OE1-CD2 3.38Å; E63-R614 VanDerWaalsContact CA-NH1 3.31Å
64	A	68.1	Low	74.9	Confident	69 Å²	69	26.4 Å²	26.4	57%	0.57	14%	0.144	S	C	*	.	H	α-helix	trans	-53.7	-32.4	176.8	0	0	0	0	0	114.4	S62	S62-A64 VanDerWaalsContact C-N 3.33Å; S62-A64 PolarHBondContact O-N 2.94Å
65	C	78.8	Confident	73.9	Confident	8 Å²	8	28.2 Å²	28.2	5%	0.054	15%	0.154	C	C	.	.	H	α-helix	trans	-88.6	-30.6	179.9	-56.5	0	0	0	0	111.7	A60 S62 E63 L67 L68 F69 C114	A60-C65 HydrophobicContact CB-CB 3.89Å; S62-C65 PolarHBondContact O-N 3.42Å; S62-C65 PolarHBondContact OG-SG 2.83Å; E63-C65 PolarHBondContact O-N 3.26Å; C65-L67 PolarHBondContact O-N 3.24Å; C65-L68 PolarHBondContact O-N 3.14Å; C65-F69 PolarHBondContact O-N 3.28Å; C65-C114 HydrophobicContact CB-CB 3.66Å; C65-C114 WeakPolarHBondContact CB-SG 3.5Å; C65-C114 WeakPolarHBondContact SG-CB 3.48Å; C65-C114 CovalentContact SG-SG 2.01Å; C65-C114 PolarHBondContact SG-SG 3.23Å
66	E	71.4	Confident	73.5	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-67.7	-26.8	178.2	-159.5	170.8	163.2	0	0	112.6	A60 S62 E63 L68 F69 P70 Y509 L572 R614 G615	A60-E66 HydrophobicContact CB-CB 3.91Å; A60-E66 HydrophobicContact CB-CG 4.35Å; S62-E66 PolarHBondContact O-N 3.24Å; E63-E66 PolarHBondContact O-N 2.82Å; E66-L68 VanDerWaalsContact C-N 3.27Å; E66-L68 PolarHBondContact O-N 2.81Å; E66-F69 VanDerWaalsContact CA-O 3.31Å; E66-F69 WeakPolarHBondContact CA-O 3.41Å; E66-F69 CarbonylContact O-C 3.55Å; E66-F69 PolarHBondContact O-N 2.87Å; E66-P70 WeakPolarHBondContact O-CA 3.21Å; E66-Y509 WeakPolarHBondContact OE1-CE2 3.49Å; E66-Y509 PolarHBondContact OE1-OH 2.95Å; E66-Y509 PolarHBondContact OE2-OH 3.32Å; E66-L572 HydrophobicContact CG-CD1 4.44Å; E66-R614 WeakPolarHBondContact OE1-CA 3.27Å; E66-R614 VanDerWaalsContact OE2-CG 3.3Å; E66-R614 WeakPolarHBondContact OE2-CG 3.15Å; E66-R614 IonicContact OE2-CZ 3.24Å; E66-R614 IonicContact OE2-NH1 2.85Å; E66-R614 PolarHBondContact OE2-NH1 3.46Å; E66-G615 PolarHBondContact OE1-N 2.81Å
67	L	64.9	Low	73.2	Confident	49 Å²	49	32.3 Å²	32.3	26%	0.257	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.7	172.1	-64	168.8	0	0	0	113.4	E63 C65 P570	E63-L67 WeakPolarHBondContact O-CG 3.29Å; E63-L67 PolarHBondContact O-N 3.37Å; E63-L67 VanDerWaalsContact O-N 3.15Å; C65-L67 PolarHBondContact O-N 3.24Å; L67-P570 HydrophobicContact CD1-CB 3.49Å; L67-P570 VanDerWaalsContact CD1-CB 3.49Å; L67-P570 HydrophobicContact CD1-CG 3.5Å; L67-P570 HydrophobicContact CD2-CB 3.78Å; L67-P570 WeakPolarHBondContact CD2-O 3.43Å; L67-P570 HydrophobicContact CG-CB 4.22Å
68	L	66.7	Low	72.8	Confident	67 Å²	67	35.7 Å²	35.7	35%	0.351	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-25.2	178.4	-61.7	175	0	0	0	111.4	C65 E66 T109 N111	C65-L68 PolarHBondContact O-N 3.14Å; E66-L68 VanDerWaalsContact C-N 3.27Å; E66-L68 PolarHBondContact O-N 2.81Å; L68-T109 CarbonylContact C-O 3.56Å; L68-T109 VanDerWaalsContact CB-O 3.31Å; L68-T109 WeakPolarHBondContact CB-O 3.39Å; L68-T109 PolarHBondContact O-N 2.69Å; L68-N111 HydrophobicContact CD1-CB 3.89Å
69	F	73.9	Confident	72	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.199	C	C	.	.			trans	-139.8	85.8	-178.9	-163.4	-76.2	0	0	0	110.2	F58 C65 E66 G71 I98 L108 L110 Y116	F58-F69 HydrophobicContact CD1-CD1 4.31Å; F58-F69 AromaticContact CD1-CE1 3.5Å; F58-F69 HydrophobicContact CD1-CE1 3.5Å; F58-F69 HydrophobicContact CD1-CE2 4.44Å; F58-F69 AromaticContact CD1-CZ 3.57Å; F58-F69 HydrophobicContact CD1-CZ 3.57Å; F58-F69 HydrophobicContact CE1-CE1 4.13Å; F58-F69 HydrophobicContact CE1-CZ 4.07Å; F58-F69 WeakPolarHBondContact O-CE1 3.28Å; C65-F69 PolarHBondContact O-N 3.28Å; E66-F69 VanDerWaalsContact CA-O 3.31Å; E66-F69 WeakPolarHBondContact CA-O 3.41Å; E66-F69 CarbonylContact O-C 3.55Å; E66-F69 PolarHBondContact O-N 2.87Å; F69-G71 PolarHBondContact O-N 3.37Å; F69-G71 VanDerWaalsContact O-N 3.13Å; F69-I98 HydrophobicContact CE2-CG2 3.89Å; F69-I98 HydrophobicContact CZ-CG2 3.65Å; F69-L108 HydrophobicContact CD2-CB 3.88Å; F69-L108 HydrophobicContact CE2-CB 3.72Å; F69-L108 HydrophobicContact CE2-CD1 4.46Å; F69-L108 HydrophobicContact CE2-CD2 4.5Å; F69-L108 HydrophobicContact CE2-CG 4.46Å; F69-L110 HydrophobicContact CD2-CD2 3.59Å; F69-L110 HydrophobicContact CD2-CG 4.17Å; F69-L110 HydrophobicContact CE2-CD2 3.77Å; F69-L110 HydrophobicContact CE2-CG 4.32Å; F69-L110 HydrophobicContact CG-CD2 4.2Å; F69-Y116 HydrophobicContact CB-CE1 4.06Å; F69-Y116 HydrophobicContact CD1-CD1 4.49Å; F69-Y116 HydrophobicContact CD1-CE1 4.25Å; F69-Y116 HydrophobicContact CG-CE1 4.07Å
70	P	64.2	Low	71	Confident	8 Å²	8	42.2 Å²	42.2	5%	0.052	23%	0.23	C	C	.	.			trans	-64.5	-19.6	-176.3	26.4	-37.6	0	0	0	113.3	E66 L108 S573	E66-P70 WeakPolarHBondContact O-CA 3.21Å; P70-L108 HydrophobicContact CG-CD2 4Å; P70-S573 WeakPolarHBondContact CG-OG 2.92Å
71	G	73.4	Confident	69.7	Low	5 Å²	5	50.9 Å²	50.9	5%	0.052	26%	0.262	C	S	.	.			trans	132.9	159.2	-177.6	0	0	0	0	0	111.1	F58 F69	F58-G71 CarbonylContact O-C 3.52Å; F58-G71 VanDerWaalsContact O-CA 3.26Å; F58-G71 WeakPolarHBondContact O-CA 3.25Å; F69-G71 PolarHBondContact O-N 3.37Å; F69-G71 VanDerWaalsContact O-N 3.13Å
72	Y	75.8	Confident	68	Low	40 Å²	40	51.1 Å²	51.1	16%	0.157	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.2	174.1	170.7	-101.8	0	0	0	109	L56 F58 A74 W96 I98 P99 L108	L56-Y72 HydrophobicContact CD2-CE1 4.3Å; F58-Y72 PolarHBondContact N-O 3.3Å; F58-Y72 PolarHBondContact O-N 3.02Å; Y72-A74 HydrophobicContact CE1-CB 3.84Å; Y72-W96 AromaticContact CE1-NE1 3.63Å; Y72-W96 AromaticContact CZ-NE1 3.81Å; Y72-W96 PolarHBondContact OH-NE1 2.92Å; Y72-I98 HydrophobicContact CD1-CD1 3.82Å; Y72-I98 HydrophobicContact CD1-CG2 4.33Å; Y72-I98 HydrophobicContact CE1-CD1 4.19Å; Y72-I98 HydrophobicContact CG-CG2 4.35Å; Y72-P99 HydrophobicContact CD2-CG 4.12Å; Y72-P99 VanDerWaalsContact CE2-CD 3.45Å; Y72-P99 HydrophobicContact CE2-CG 3.49Å; Y72-P99 VanDerWaalsContact CE2-CG 3.49Å; Y72-P99 VanDerWaalsContact CZ-CD 3.44Å; Y72-L108 HydrophobicContact CD2-CD1 4.46Å
73	Y	72.4	Confident	66.7	Low	33 Å²	33	58.4 Å²	58.4	13%	0.129	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.2	179.8	-47.9	-87.4	0	0	0	108.3	L56 I57 T59 G615	L56-Y73 WeakPolarHBondContact O-CA 3.39Å; I57-Y73 HydrophobicContact CB-CD1 4.39Å; I57-Y73 HydrophobicContact CB-CE1 4.49Å; I57-Y73 HydrophobicContact CG1-CD1 4Å; I57-Y73 HydrophobicContact CG1-CE1 4.37Å; I57-Y73 HydrophobicContact CG2-CD1 3.94Å; I57-Y73 HydrophobicContact CG2-CE1 3.59Å; T59-Y73 HydrophobicContact CG2-CE1 4.44Å; Y73-G615 VanDerWaalsContact CZ-O 3.28Å; Y73-G615 WeakPolarHBondContact OH-CA 3.46Å; Y73-G615 PolarHBondContact OH-O 3.08Å
74	A	71.8	Confident	65.5	Low	7 Å²	7	61.3 Å²	61.3	6%	0.058	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	103.8	166.6	0	0	0	0	0	108	Y55 L56 Y72 K76 I77 W96	Y55-A74 WeakPolarHBondContact CD2-O 3.45Å; L56-A74 HydrophobicContact CB-CB 4.18Å; L56-A74 PolarHBondContact N-O 3.3Å; L56-A74 VanDerWaalsContact N-O 3.08Å; L56-A74 PolarHBondContact O-N 3.42Å; Y72-A74 HydrophobicContact CE1-CB 3.84Å; A74-K76 VanDerWaalsContact C-N 3.31Å; A74-K76 PolarHBondContact O-N 3.2Å; A74-I77 HydrophobicContact CB-CD1 3.94Å; A74-I77 HydrophobicContact CB-CG1 3.81Å; A74-W96 HydrophobicContact CB-CZ2 4.47Å
75	L	63.5	Low	64.3	Low	39 Å²	39	61.1 Å²	61.1	20%	0.204	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	-29	-175	-74.6	161.1	0	0	0	112.9	Y55 A579 T735	Y55-L75 HydrophobicContact CD2-CD2 4.16Å; Y55-L75 HydrophobicContact CE2-CD2 3.56Å; Y55-L75 HydrophobicContact CE2-CG 4.2Å; L75-A579 HydrophobicContact CD1-CB 4.47Å; L75-T735 HydrophobicContact CB-CG2 3.92Å; L75-T735 HydrophobicContact CD1-CG2 3.73Å; L75-T735 HydrophobicContact CG-CG2 4.27Å
76	K	68	Low	62.6	Low	85 Å²	85	68.9 Å²	68.9	37%	0.37	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	98.4	-179.6	-165.3	176.4	-167.2	169.5	0	111.8	A53 A74 P78 Q736	A53-K76 HydrophobicContact CB-CG 3.61Å; A74-K76 VanDerWaalsContact C-N 3.31Å; A74-K76 PolarHBondContact O-N 3.2Å; K76-P78 WeakPolarHBondContact O-CD 3.49Å; K76-Q736 HydrophobicContact CD-CB 4.48Å; K76-Q736 HydrophobicContact CD-CG 4.11Å
77	I	77.9	Confident	61.1	Low	8 Å²	8	75.4 Å²	75.4	4%	0.041	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.4	167	-59.8	169.9	0	0	0	107.2	W43 A53 F54 L56 A74 A79 W96	W43-I77 HydrophobicContact CH2-CD1 4.32Å; W43-I77 HydrophobicContact CH2-CG2 4.23Å; W43-I77 HydrophobicContact CZ2-CG2 4.38Å; A53-I77 CarbonylContact C-O 3.55Å; A53-I77 VanDerWaalsContact CA-O 3.26Å; A53-I77 WeakPolarHBondContact CA-O 3.35Å; A53-I77 WeakPolarHBondContact CB-O 3.28Å; F54-I77 HydrophobicContact CB-CB 4.18Å; F54-I77 PolarHBondContact N-O 2.89Å; F54-I77 PolarHBondContact O-N 3.49Å; L56-I77 HydrophobicContact CB-CD1 3.71Å; L56-I77 HydrophobicContact CD2-CD1 4.07Å; A74-I77 HydrophobicContact CB-CD1 3.94Å; A74-I77 HydrophobicContact CB-CG1 3.81Å; I77-A79 PolarHBondContact O-N 3.16Å; I77-W96 HydrophobicContact CB-CE3 4.21Å; I77-W96 HydrophobicContact CB-CZ3 4.23Å; I77-W96 HydrophobicContact CD1-CB 4.19Å; I77-W96 HydrophobicContact CD1-CD2 3.61Å; I77-W96 HydrophobicContact CD1-CE3 3.94Å; I77-W96 HydrophobicContact CD1-CG 3.72Å; I77-W96 HydrophobicContact CG1-CD2 3.82Å; I77-W96 HydrophobicContact CG1-CE3 3.79Å; I77-W96 HydrophobicContact CG1-CG 4.46Å; I77-W96 HydrophobicContact CG1-CH2 4.12Å; I77-W96 HydrophobicContact CG1-CZ2 4.18Å; I77-W96 HydrophobicContact CG1-CZ3 3.95Å; I77-W96 HydrophobicContact CG2-CD2 4.28Å; I77-W96 HydrophobicContact CG2-CE3 3.47Å; I77-W96 VanDerWaalsContact CG2-CE3 3.47Å; I77-W96 HydrophobicContact CG2-CZ3 3.64Å
78	P	73	Confident	59.9	Low	88 Å²	88	77.9 Å²	77.9	57%	0.571	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.8	132.1	-173.7	-26	34.3	0	0	0	112.8	K76 L80	K76-P78 WeakPolarHBondContact O-CD 3.49Å; P78-L80 PolarHBondContact O-N 3.46Å; P78-L80 VanDerWaalsContact O-N 3.09Å
79	A	67.9	Low	58.7	Low	11 Å²	11	87.1 Å²	87.1	9%	0.091	44%	0.437	C	S	.	.			trans	-71.8	104.7	164.1	0	0	0	0	0	106.4	R51 E52 F54 I77 R81	R51-A79 HydrophobicContact CG-CB 4.47Å; E52-A79 WeakPolarHBondContact O-CB 3.42Å; E52-A79 PolarHBondContact O-N 2.87Å; E52-A79 VanDerWaalsContact O-N 3.14Å; F54-A79 HydrophobicContact CE2-CB 4.09Å; I77-A79 PolarHBondContact O-N 3.16Å; A79-R81 PolarHBondContact O-N 3.25Å
80	L	63.6	Low	57.3	Low	135 Å²	135	93.9 Å²	93.9	71%	0.707	47%	0.472	S	S	*	.			trans	-36.4	108.4	169.2	-83.7	148.4	0	0	0	109.4	P78	P78-L80 PolarHBondContact O-N 3.46Å; P78-L80 VanDerWaalsContact O-N 3.09Å
81	R	52.5	Low	56.6	Low	184 Å²	184	101.5 Å²	101.5	69%	0.694	50%	0.504	S	S	*	.			trans	-82.8	124.2	175.3	-67.8	-173.4	178.6	-171.1	-2	106.7	A79 F83	A79-R81 PolarHBondContact O-N 3.25Å; R81-F83 VanDerWaalsContact C-N 3.33Å; R81-F83 PolarHBondContact O-N 2.94Å
82	D	44	Very low	56	Low	110 Å²	110	102.9 Å²	102.9	59%	0.588	51%	0.513	S	S	*	.	S	Bend	trans	-58.3	75.8	-171.9	-70.2	-44.4	0	0	0	114.5
83	F	43.8	Very low	55.2	Low	198 Å²	198	104.8 Å²	104.8	87%	0.868	54%	0.537	S	S	*	.	S	Bend	trans	-100	-5.6	166.6	-93.3	-76.6	0	0	0	114.4	R81	R81-F83 VanDerWaalsContact C-N 3.33Å; R81-F83 PolarHBondContact O-N 2.94Å
84	T	40.6	Very low	55.6	Low	141 Å²	141	105 Å²	105	87%	0.865	54%	0.538	S	S	*	.	S	Bend	trans	-137.7	12.6	-179.8	43.5	0	0	0	0	115.7	I86	T84-I86 PolarHBondContact O-N 3.35Å
85	A	42.4	Very low	56.4	Low	65 Å²	65	108.1 Å²	108.1	54%	0.537	56%	0.559	S	S	.	*			trans	-91.6	41.9	-176.6	0	0	0	0	0	114.8	I87	A85-I87 PolarHBondContact O-N 2.94Å; A85-I87 VanDerWaalsContact O-N 3.15Å
86	I	42.3	Very low	57.6	Low	170 Å²	170	110 Å²	110	87%	0.872	56%	0.564	S	S	*	*			trans	-64.2	-10.4	166.4	-77.1	177	0	0	0	111.6	T84	T84-I86 PolarHBondContact O-N 3.35Å
87	I	39.9	Very low	58.5	Low	140 Å²	140	109.4 Å²	109.4	72%	0.718	56%	0.562	S	S	*	*	S	Bend	trans	-119.5	103.8	-179.1	-60.4	-176.8	0	0	0	110.1	A85	A85-I87 PolarHBondContact O-N 2.94Å; A85-I87 VanDerWaalsContact O-N 3.15Å
88	V	40.5	Very low	58.8	Low	100 Å²	100	109.2 Å²	109.2	61%	0.606	56%	0.562	S	S	*	*			trans	95.7	113.1	149.7	-178.5	0	0	0	0	118.3	L90	V88-L90 HydrophobicContact CG1-CB 3.98Å; V88-L90 HydrophobicContact CG1-CD1 3.34Å; V88-L90 HydrophobicContact CG1-CG 3.45Å; V88-L90 VanDerWaalsContact CG1-CG 3.45Å; V88-L90 PolarHBondContact O-N 3.23Å
89	R	40.8	Very low	58.9	Low	262 Å²	262	107.2 Å²	107.2	99%	0.989	55%	0.548	S	S	*	.			trans	-63.1	32.1	172.8	-118.4	179.6	-171.5	177.6	2.2	115.6
90	L	44.3	Very low	59	Low	142 Å²	142	108.1 Å²	108.1	74%	0.743	55%	0.553	S	S	*	*			trans	-87.9	136	177.8	-75.8	163.5	0	0	0	109.7	V88 S92	V88-L90 HydrophobicContact CG1-CB 3.98Å; V88-L90 HydrophobicContact CG1-CD1 3.34Å; V88-L90 HydrophobicContact CG1-CG 3.45Å; V88-L90 VanDerWaalsContact CG1-CG 3.45Å; V88-L90 PolarHBondContact O-N 3.23Å; L90-S92 PolarHBondContact O-N 3.05Å
91	K	50	Low	59	Low	168 Å²	168	105.3 Å²	105.3	73%	0.73	54%	0.536	S	S	*	.			trans	-37.1	123.6	170.7	-66.3	178.1	176.6	-178.2	0	108.9	A93	K91-A93 PolarHBondContact O-N 3.08Å
92	S	59.9	Low	59.2	Low	34 Å²	34	98 Å²	98	24%	0.238	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	80.1	-169.5	81.7	0	0	0	0	110.8	A45 L90 R94	A45-S92 PolarHBondContact N-O 3.36Å; A45-S92 PolarHBondContact O-OG 2.91Å; L90-S92 PolarHBondContact O-N 3.05Å; S92-R94 PolarHBondContact O-N 3.37Å; S92-R94 PolarHBondContact OG-NE 3.12Å
93	A	60.5	Low	59.5	Low	80 Å²	80	98.5 Å²	98.5	66%	0.661	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	122	175	0	0	0	0	0	108	K91	K91-A93 PolarHBondContact O-N 3.08Å
94	R	81.4	Confident	59.6	Low	38 Å²	38	92.3 Å²	92.3	14%	0.143	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.1	-178	-68.8	171.4	-171.4	-94.5	-0.5	109.3	H42 W43 S92	H42-R94 VanDerWaalsContact CA-O 3.26Å; H42-R94 WeakPolarHBondContact CA-O 3.37Å; W43-R94 HydrophobicContact CD2-CB 3.92Å; W43-R94 HydrophobicContact CE3-CB 4.39Å; W43-R94 HydrophobicContact CG-CB 4.43Å; W43-R94 HydrophobicContact CH2-CB 4.15Å; W43-R94 HydrophobicContact CZ2-CB 3.66Å; W43-R94 HydrophobicContact CZ2-CG 4.5Å; W43-R94 HydrophobicContact CZ3-CB 4.49Å; W43-R94 PolarHBondContact N-O 2.92Å; W43-R94 PolarHBondContact O-N 3.24Å; S92-R94 PolarHBondContact O-N 3.37Å; S92-R94 PolarHBondContact OG-NE 3.12Å
95	S	86.7	Confident	60.3	Low	73 Å²	73	92.4 Å²	92.4	51%	0.51	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144	177.2	63.7	0	0	0	0	111.5	V41 H42	V41-S95 CarbonylContact O-C 3.58Å; V41-S95 WeakPolarHBondContact O-CA 3.13Å; H42-S95 WeakPolarHBondContact ND1-CB 3.4Å
96	W	88.8	Confident	60.8	Low	77 Å²	77	91.1 Å²	91.1	29%	0.292	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.2	173.3	-168.4	-91.6	0	0	0	110.5	V40 V41 W43 L56 Y72 A74 I77	V40-W96 WeakPolarHBondContact CA-O 3.49Å; V41-W96 PolarHBondContact N-O 2.87Å; V41-W96 PolarHBondContact O-N 3.34Å; W43-W96 HydrophobicContact CH2-CB 3.84Å; W43-W96 HydrophobicContact CZ3-CB 3.65Å; L56-W96 HydrophobicContact CD2-CB 4.33Å; L56-W96 HydrophobicContact CD2-CG 4.08Å; Y72-W96 AromaticContact CE1-NE1 3.63Å; Y72-W96 AromaticContact CZ-NE1 3.81Å; Y72-W96 PolarHBondContact OH-NE1 2.92Å; A74-W96 HydrophobicContact CB-CZ2 4.47Å; I77-W96 HydrophobicContact CB-CE3 4.21Å; I77-W96 HydrophobicContact CB-CZ3 4.23Å; I77-W96 HydrophobicContact CD1-CB 4.19Å; I77-W96 HydrophobicContact CD1-CD2 3.61Å; I77-W96 HydrophobicContact CD1-CE3 3.94Å; I77-W96 HydrophobicContact CD1-CG 3.72Å; I77-W96 HydrophobicContact CG1-CD2 3.82Å; I77-W96 HydrophobicContact CG1-CE3 3.79Å; I77-W96 HydrophobicContact CG1-CG 4.46Å; I77-W96 HydrophobicContact CG1-CH2 4.12Å; I77-W96 HydrophobicContact CG1-CZ2 4.18Å; I77-W96 HydrophobicContact CG1-CZ3 3.95Å; I77-W96 HydrophobicContact CG2-CD2 4.28Å; I77-W96 HydrophobicContact CG2-CE3 3.47Å; I77-W96 VanDerWaalsContact CG2-CE3 3.47Å; I77-W96 HydrophobicContact CG2-CZ3 3.64Å
97	E	87.9	Confident	61.7	Low	74 Å²	74	86.8 Å²	86.8	35%	0.346	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.3	174.8	178.4	169.3	178.4	0	0	109.8	R29 K38 V40 P99	R29-E97 IonicContact NH1-OE1 2.63Å; K38-E97 HydrophobicContact CD-CG 4.48Å; K38-E97 WeakPolarHBondContact CD-OE1 3.47Å; K38-E97 WeakPolarHBondContact CE-OE1 3.34Å; K38-E97 VanDerWaalsContact CE-OE2 3.31Å; K38-E97 WeakPolarHBondContact CE-OE2 3.39Å; K38-E97 HydrophobicContact CG-CG 4.5Å; K38-E97 IonicContact NZ-OE1 3.15Å; K38-E97 PolarHBondContact NZ-OE1 3.47Å; K38-E97 IonicContact NZ-OE2 3.45Å; K38-E97 PolarHBondContact NZ-OE2 2.79Å; V40-E97 HydrophobicContact CG2-CB 4.41Å; E97-P99 WeakPolarHBondContact O-CD 3.39Å
98	I	84.7	Confident	63	Low	4 Å²	4	80.6 Å²	80.6	2%	0.021	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-72.8	124.1	172.4	-55.9	-59.4	0	0	0	108.1	A39 V41 L56 F58 F69 Y72	A39-I98 HydrophobicContact CB-CB 4.35Å; A39-I98 HydrophobicContact CB-CG1 4.06Å; A39-I98 PolarHBondContact O-N 2.83Å; V41-I98 HydrophobicContact CG2-CD1 3.93Å; V41-I98 HydrophobicContact CG2-CG1 4.21Å; L56-I98 HydrophobicContact CD2-CD1 3.85Å; F58-I98 HydrophobicContact CB-CD1 3.87Å; F58-I98 HydrophobicContact CD2-CD1 3.81Å; F58-I98 HydrophobicContact CD2-CG1 3.96Å; F58-I98 HydrophobicContact CE2-CG1 4.24Å; F58-I98 HydrophobicContact CG-CD1 3.86Å; F58-I98 HydrophobicContact CG-CG1 4.14Å; F69-I98 HydrophobicContact CE2-CG2 3.89Å; F69-I98 HydrophobicContact CZ-CG2 3.65Å; Y72-I98 HydrophobicContact CD1-CD1 3.82Å; Y72-I98 HydrophobicContact CD1-CG2 4.33Å; Y72-I98 HydrophobicContact CE1-CD1 4.19Å; Y72-I98 HydrophobicContact CG-CG2 4.35Å
99	P	75	Confident	64.6	Low	45 Å²	45	78.3 Å²	78.3	29%	0.292	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-58.5	147.5	176.9	-25.8	36.4	0	0	0	112.2	Y72 E97 H101	Y72-P99 HydrophobicContact CD2-CG 4.12Å; Y72-P99 VanDerWaalsContact CE2-CD 3.45Å; Y72-P99 HydrophobicContact CE2-CG 3.49Å; Y72-P99 VanDerWaalsContact CE2-CG 3.49Å; Y72-P99 VanDerWaalsContact CZ-CD 3.44Å; E97-P99 WeakPolarHBondContact O-CD 3.39Å; P99-H101 VanDerWaalsContact C-N 3.32Å; P99-H101 WeakPolarHBondContact CB-O 3.17Å
100	T	68.8	Low	66.7	Low	30 Å²	30	66.4 Å²	66.4	18%	0.184	36%	0.364	C	S	.	.	S	Bend	trans	-85.2	-8.2	175.8	52.2	0	0	0	0	113.1	L108	T100-L108 PolarHBondContact O-N 3.06Å
101	H	64.3	Low	68.5	Low	76 Å²	76	62.7 Å²	62.7	35%	0.352	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-143.7	156.2	178.9	-55.8	79.6	0	0	0	110.1	P99 L106	P99-H101 VanDerWaalsContact C-N 3.32Å; P99-H101 WeakPolarHBondContact CB-O 3.17Å; H101-L106 CarbonylContact C-O 3.48Å; H101-L106 WeakPolarHBondContact CA-O 3.33Å
102	T	57.4	Low	70.1	Confident	30 Å²	30	55.8 Å²	55.8	18%	0.184	32%	0.315	C	S	.	.			trans	-72.5	172.8	168.2	68.2	0	0	0	0	110.9	E104 L105 L106 L108	T102-E104 PolarHBondContact O-N 3.35Å; T102-E104 PolarHBondContact OG1-N 3.38Å; T102-L105 WeakPolarHBondContact O-CA 3.24Å; T102-L105 PolarHBondContact O-N 3.14Å; T102-L106 HydrophobicContact CG2-CB 4.21Å; T102-L106 PolarHBondContact N-O 2.7Å; T102-L106 WeakPolarHBondContact OG1-CB 3.18Å; T102-L106 PolarHBondContact OG1-N 3.05Å; T102-L106 VanDerWaalsContact OG1-N 3.11Å; T102-L108 HydrophobicContact CG2-CD1 4.33Å; T102-L108 HydrophobicContact CG2-CD2 3.96Å; T102-L108 HydrophobicContact CG2-CG 4.06Å
103	V	50.7	Low	71.1	Confident	122 Å²	122	55.7 Å²	55.7	74%	0.739	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.1	173.6	-175.7	0	0	0	0	111.3	L105	V103-L105 PolarHBondContact O-N 3.05Å
104	E	44.1	Very low	72.4	Confident	68 Å²	68	52.1 Å²	52.1	32%	0.318	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	14.4	173.3	-59.4	-175.3	176.3	0	0	114	T102 L106 R526 S575	T102-E104 PolarHBondContact O-N 3.35Å; T102-E104 PolarHBondContact OG1-N 3.38Å; E104-L106 HydrophobicContact CB-CD1 4.47Å; E104-L106 PolarHBondContact O-N 3.36Å; E104-R526 IonicContact OE2-NH1 3.74Å; E104-S575 WeakPolarHBondContact OE2-CB 3.31Å
105	L	57	Low	72.8	Confident	142 Å²	142	57.3 Å²	57.3	74%	0.743	31%	0.309	S	S	*	.			trans	63.1	18.9	179.5	-55.5	171.1	0	0	0	115.2	T102 V103	T102-L105 WeakPolarHBondContact O-CA 3.24Å; T102-L105 PolarHBondContact O-N 3.14Å; V103-L105 PolarHBondContact O-N 3.05Å
106	L	51.7	Low	73	Confident	39 Å²	39	53.8 Å²	53.8	20%	0.204	28%	0.284	C	S	.	.			trans	-78.4	135.5	174.6	-65.3	164.3	0	0	0	110.2	H101 T102 E104 L108 S575	H101-L106 CarbonylContact C-O 3.48Å; H101-L106 WeakPolarHBondContact CA-O 3.33Å; T102-L106 HydrophobicContact CG2-CB 4.21Å; T102-L106 PolarHBondContact N-O 2.7Å; T102-L106 WeakPolarHBondContact OG1-CB 3.18Å; T102-L106 PolarHBondContact OG1-N 3.05Å; T102-L106 VanDerWaalsContact OG1-N 3.11Å; E104-L106 HydrophobicContact CB-CD1 4.47Å; E104-L106 PolarHBondContact O-N 3.36Å; L106-L108 PolarHBondContact O-N 2.78Å; L106-S575 WeakPolarHBondContact CD1-OG 3.2Å
107	P	61.6	Low	73	Confident	78 Å²	78	53.4 Å²	53.4	51%	0.506	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-67	132.8	-174.5	26.2	-33.7	0	0	0	112
108	L	67.1	Low	73.1	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.052	27%	0.266	C	S	.	.			trans	-103.6	86.5	169.3	-68.6	177.5	0	0	0	108.2	F69 P70 Y72 T100 T102 L106	F69-L108 HydrophobicContact CD2-CB 3.88Å; F69-L108 HydrophobicContact CE2-CB 3.72Å; F69-L108 HydrophobicContact CE2-CD1 4.46Å; F69-L108 HydrophobicContact CE2-CD2 4.5Å; F69-L108 HydrophobicContact CE2-CG 4.46Å; P70-L108 HydrophobicContact CG-CD2 4Å; Y72-L108 HydrophobicContact CD2-CD1 4.46Å; T100-L108 PolarHBondContact O-N 3.06Å; T102-L108 HydrophobicContact CG2-CD1 4.33Å; T102-L108 HydrophobicContact CG2-CD2 3.96Å; T102-L108 HydrophobicContact CG2-CG 4.06Å; L106-L108 PolarHBondContact O-N 2.78Å
109	T	74.9	Confident	73.2	Confident	53 Å²	53	50.2 Å²	50.2	33%	0.325	27%	0.268	S	S	.	.			trans	-94.3	110.3	-171.9	-54	0	0	0	0	111.6	L68	L68-T109 CarbonylContact C-O 3.56Å; L68-T109 VanDerWaalsContact CB-O 3.31Å; L68-T109 WeakPolarHBondContact CB-O 3.39Å; L68-T109 PolarHBondContact O-N 2.69Å
110	L	83.6	Confident	73.8	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.063	25%	0.254	C	S	.	.			trans	-70.7	137.4	168.2	-62.8	173.2	0	0	0	110.3	L37 A39 F58 F69 Y116 I140	L37-L110 HydrophobicContact CB-CB 3.81Å; L37-L110 HydrophobicContact CB-CD1 4.4Å; L37-L110 HydrophobicContact CD1-CB 4.39Å; A39-L110 HydrophobicContact CB-CD1 3.54Å; F58-L110 HydrophobicContact CE1-CD2 3.75Å; F58-L110 HydrophobicContact CZ-CD2 4.28Å; F69-L110 HydrophobicContact CD2-CD2 3.59Å; F69-L110 HydrophobicContact CD2-CG 4.17Å; F69-L110 HydrophobicContact CE2-CD2 3.77Å; F69-L110 HydrophobicContact CE2-CG 4.32Å; F69-L110 HydrophobicContact CG-CD2 4.2Å; L110-Y116 HydrophobicContact CD2-CD1 4.13Å; L110-Y116 HydrophobicContact CD2-CE1 3.6Å; L110-Y116 HydrophobicContact CD2-CE2 4.15Å; L110-I140 HydrophobicContact CB-CD1 3.83Å; L110-I140 HydrophobicContact CD1-CD1 4.43Å; L110-I140 HydrophobicContact CD2-CD1 4.39Å; L110-I140 HydrophobicContact CG-CD1 4.45Å
111	N	81.8	Confident	74.6	Confident	64 Å²	64	47 Å²	47	34%	0.342	25%	0.247	S	C	.	.			trans	-120.9	147.3	179.1	-169.7	12.5	0	0	0	112.7	L68 C114 Y116	L68-N111 HydrophobicContact CD1-CB 3.89Å; N111-C114 WeakPolarHBondContact O-CB 3.49Å; N111-C114 PolarHBondContact O-SG 3.23Å; N111-Y116 PolarHBondContact N-OH 2.79Å
112	F	83.6	Confident	75.4	Confident	23 Å²	23	43.5 Å²	43.5	10%	0.101	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	148.3	-177.9	-67.9	-72	0	0	0	112.6	L37 C114 I140 P141 V144 Y147	L37-F112 HydrophobicContact CD1-CD1 3.82Å; L37-F112 HydrophobicContact CD1-CD2 4.19Å; L37-F112 HydrophobicContact CD1-CE1 3.83Å; L37-F112 HydrophobicContact CD1-CE2 4.15Å; L37-F112 HydrophobicContact CD1-CG 4.04Å; L37-F112 HydrophobicContact CD1-CZ 3.99Å; L37-F112 HydrophobicContact CD2-CD1 4.42Å; L37-F112 HydrophobicContact CD2-CE1 3.71Å; L37-F112 HydrophobicContact CD2-CZ 3.94Å; L37-F112 HydrophobicContact CG-CE1 4.17Å; L37-F112 HydrophobicContact CG-CZ 4.11Å; F112-C114 PolarHBondContact O-N 3.01Å; F112-I140 HydrophobicContact CD1-CG2 3.93Å; F112-P141 VanDerWaalsContact CD1-O 3.23Å; F112-P141 WeakPolarHBondContact CD1-O 3.39Å; F112-V144 HydrophobicContact CE1-CB 4.33Å; F112-V144 HydrophobicContact CE1-CG2 4.14Å; F112-Y147 WeakPolarHBondContact CE1-O 3.5Å; F112-Y147 AromaticContact CE2-CD1 3.87Å; F112-Y147 HydrophobicContact CE2-CD1 3.87Å; F112-Y147 AromaticContact CE2-CE1 3.7Å; F112-Y147 HydrophobicContact CE2-CE1 3.7Å; F112-Y147 HydrophobicContact CE2-CG 4.43Å; F112-Y147 AromaticContact CZ-CD1 3.43Å; F112-Y147 HydrophobicContact CZ-CD1 3.43Å; F112-Y147 VanDerWaalsContact CZ-CD1 3.43Å; F112-Y147 AromaticContact CZ-CE1 3.76Å; F112-Y147 HydrophobicContact CZ-CE1 3.76Å; F112-Y147 AromaticContact CZ-CG 3.94Å; F112-Y147 HydrophobicContact CZ-CG 3.94Å; F112-Y147 WeakPolarHBondContact CZ-O 3.18Å
113	G	82	Confident	76.1	Confident	31 Å²	31	43 Å²	43	32%	0.32	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-16.5	-180	0	0	0	0	0	114.6	K139 I140	G113-K139 VanDerWaalsContact O-CE 3.26Å; G113-K139 WeakPolarHBondContact O-CE 3.3Å; G113-I140 WeakPolarHBondContact CA-O 3.45Å; G113-I140 PolarHBondContact N-O 3Å
114	C	87.6	Confident	76.9	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.034	21%	0.206	C	C	.	.			trans	-62.2	146.7	172.6	-65.4	0	0	0	0	111.6	C65 N111 F112 Y116 K139 I140	C65-C114 HydrophobicContact CB-CB 3.66Å; C65-C114 WeakPolarHBondContact CB-SG 3.5Å; C65-C114 WeakPolarHBondContact SG-CB 3.48Å; C65-C114 CovalentContact SG-SG 2.01Å; C65-C114 PolarHBondContact SG-SG 3.23Å; N111-C114 WeakPolarHBondContact O-CB 3.49Å; N111-C114 PolarHBondContact O-SG 3.23Å; F112-C114 PolarHBondContact O-N 3.01Å; C114-Y116 HydrophobicContact CB-CD2 4.34Å; C114-Y116 HydrophobicContact CB-CE2 3.44Å; C114-Y116 VanDerWaalsContact CB-CE2 3.44Å; C114-Y116 WeakPolarHBondContact CB-OH 3.41Å; C114-K139 WeakPolarHBondContact O-CA 3.39Å; C114-I140 PolarHBondContact O-N 3.18Å
115	R	90.6	Very high	77.9	Confident	147 Å²	147	37.1 Å²	37.1	56%	0.555	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.8	170.9	-68.6	178.3	177.5	165.7	-1.9	109.3	K61 T137 V138 K139	K61-R115 HydrophobicContact CB-CB 4.2Å; K61-R115 HydrophobicContact CD-CB 4.45Å; K61-R115 HydrophobicContact CG-CB 4.39Å; K61-R115 PolarHBondContact N-O 3.39Å; R115-T137 HydrophobicContact CB-CG2 4.1Å; R115-V138 CarbonylContact C-O 3.5Å; R115-V138 VanDerWaalsContact CA-O 3.29Å; R115-V138 WeakPolarHBondContact CA-O 3.48Å; R115-K139 HydrophobicContact CG-CB 4.02Å; R115-K139 HydrophobicContact CG-CG 4.02Å
116	Y	90.1	Very high	78.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.4	176.3	-61.2	-91.7	0	0	0	109.7	F58 T59 A60 F69 L110 N111 C114 T137 V138 I140	F58-Y116 HydrophobicContact CD1-CD1 4.2Å; F58-Y116 AromaticContact CE1-CD1 3.43Å; F58-Y116 HydrophobicContact CE1-CD1 3.43Å; F58-Y116 VanDerWaalsContact CE1-CD1 3.43Å; F58-Y116 HydrophobicContact CE1-CE1 4.21Å; F58-Y116 AromaticContact CE1-CG 3.65Å; F58-Y116 HydrophobicContact CE1-CG 3.65Å; F58-Y116 HydrophobicContact CZ-CD1 4.1Å; F58-Y116 AromaticContact CZ-CG 3.83Å; F58-Y116 HydrophobicContact CZ-CG 3.83Å; T59-Y116 CarbonylContact O-C 3.6Å; T59-Y116 WeakPolarHBondContact O-CA 3.26Å; A60-Y116 HydrophobicContact CB-CD1 4.07Å; A60-Y116 HydrophobicContact CB-CE1 3.9Å; F69-Y116 HydrophobicContact CB-CE1 4.06Å; F69-Y116 HydrophobicContact CD1-CD1 4.49Å; F69-Y116 HydrophobicContact CD1-CE1 4.25Å; F69-Y116 HydrophobicContact CG-CE1 4.07Å; L110-Y116 HydrophobicContact CD2-CD1 4.13Å; L110-Y116 HydrophobicContact CD2-CE1 3.6Å; L110-Y116 HydrophobicContact CD2-CE2 4.15Å; N111-Y116 PolarHBondContact N-OH 2.79Å; C114-Y116 HydrophobicContact CB-CD2 4.34Å; C114-Y116 HydrophobicContact CB-CE2 3.44Å; C114-Y116 VanDerWaalsContact CB-CE2 3.44Å; C114-Y116 WeakPolarHBondContact CB-OH 3.41Å; Y116-T137 CarbonylContact O-C 3.45Å; Y116-T137 WeakPolarHBondContact O-CA 3.45Å; Y116-V138 PolarHBondContact N-O 2.96Å; Y116-V138 PolarHBondContact O-N 3.4Å; Y116-I140 HydrophobicContact CD2-CD1 3.95Å; Y116-I140 HydrophobicContact CD2-CG1 3.89Å; Y116-I140 HydrophobicContact CE2-CD1 3.34Å; Y116-I140 HydrophobicContact CE2-CG1 3.64Å
117	R	88.8	Confident	78.3	Confident	68 Å²	68	32.5 Å²	32.5	26%	0.257	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.6	172.9	177.5	-179.3	178.3	-84.3	-0.9	107.7	T59 K61 E119 I135	T59-R117 PolarHBondContact N-O 3.47Å; T59-R117 PolarHBondContact O-N 2.98Å; T59-R117 PolarHBondContact OG1-O 2.8Å; K61-R117 HydrophobicContact CD-CB 4.44Å; K61-R117 HydrophobicContact CG-CB 4.08Å; R117-E119 IonicContact CZ-OE2 3.67Å; R117-E119 IonicContact NH1-OE2 3.8Å; R117-E119 PolarHBondContact NH1-OE2 3.18Å; R117-E119 IonicContact NH2-OE2 2.65Å; R117-E119 PolarHBondContact NH2-OE2 3.42Å; R117-I135 HydrophobicContact CG-CG2 3.89Å; R117-I135 VanDerWaalsContact NH2-CD1 3.34Å
118	V	90.5	Very high	77.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.7	172.1	-172.5	0	0	0	0	107.3	V22 V24 V41 L56 I57 F58 I135 V136 V138	V22-V118 HydrophobicContact CG1-CG1 4.25Å; V24-V118 HydrophobicContact CG2-CG2 3.69Å; V41-V118 HydrophobicContact CG1-CG1 3.95Å; V41-V118 HydrophobicContact CG2-CG1 4.25Å; L56-V118 HydrophobicContact CD1-CG1 3.59Å; I57-V118 CarbonylContact O-C 3.59Å; I57-V118 WeakPolarHBondContact O-CA 3.25Å; F58-V118 HydrophobicContact CD2-CB 4.42Å; F58-V118 HydrophobicContact CD2-CG1 4.43Å; F58-V118 HydrophobicContact CD2-CG2 3.44Å; F58-V118 VanDerWaalsContact CD2-CG2 3.44Å; F58-V118 HydrophobicContact CE2-CG2 3.48Å; F58-V118 VanDerWaalsContact CE2-CG2 3.48Å; F58-V118 HydrophobicContact CG-CG2 4.48Å; V118-I135 CarbonylContact O-C 3.6Å; V118-I135 WeakPolarHBondContact O-CA 3.42Å; V118-V136 HydrophobicContact CB-CG2 3.79Å; V118-V136 HydrophobicContact CG2-CG2 4.39Å; V118-V136 PolarHBondContact N-O 2.75Å; V118-V136 PolarHBondContact O-N 3.39Å; V118-V138 HydrophobicContact CG2-CG2 4.29Å
119	E	86.6	Confident	77.6	Confident	12 Å²	12	30.7 Å²	30.7	6%	0.056	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.9	173.4	171.6	-179.8	-178.6	0	0	108.5	L56 I57 R117 R121 A133 V134 I135	L56-E119 WeakPolarHBondContact CA-O 3.19Å; I57-E119 HydrophobicContact CB-CB 4.19Å; I57-E119 HydrophobicContact CD1-CG 4.38Å; I57-E119 WeakPolarHBondContact CD1-OE2 3.37Å; I57-E119 PolarHBondContact N-O 3.25Å; I57-E119 PolarHBondContact O-N 3.33Å; R117-E119 IonicContact CZ-OE2 3.67Å; R117-E119 IonicContact NH1-OE2 3.8Å; R117-E119 PolarHBondContact NH1-OE2 3.18Å; R117-E119 IonicContact NH2-OE2 2.65Å; R117-E119 PolarHBondContact NH2-OE2 3.42Å; E119-R121 HydrophobicContact CG-CG 4.49Å; E119-R121 IonicContact OE1-CZ 3.84Å; E119-R121 IonicContact OE1-NE 2.64Å; E119-R121 PolarHBondContact OE1-NE 2.85Å; E119-R121 IonicContact OE1-NH2 3.96Å; E119-R121 PolarHBondContact OE1-NH2 3.3Å; E119-A133 HydrophobicContact CG-CB 4.41Å; E119-V134 WeakPolarHBondContact CA-O 3.29Å; E119-I135 HydrophobicContact CB-CG1 4.04Å; E119-I135 HydrophobicContact CG-CG1 3.88Å
120	L	87.5	Confident	77.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.6	-177.1	-157	74.5	0	0	0	109.8	P19 V22 W43 Y55 L56 A133 V134	P19-L120 HydrophobicContact CB-CD2 3.51Å; P19-L120 HydrophobicContact CB-CG 4.29Å; P19-L120 HydrophobicContact CG-CB 4.38Å; P19-L120 HydrophobicContact CG-CD2 3.5Å; P19-L120 HydrophobicContact CG-CG 3.82Å; V22-L120 HydrophobicContact CG2-CB 4.42Å; V22-L120 HydrophobicContact CG2-CD2 4.09Å; W43-L120 HydrophobicContact CB-CD2 3.78Å; W43-L120 HydrophobicContact CD2-CD2 3.46Å; W43-L120 VanDerWaalsContact CD2-CD2 3.46Å; W43-L120 HydrophobicContact CE3-CD2 3.93Å; W43-L120 HydrophobicContact CG-CD2 3.4Å; Y55-L120 WeakPolarHBondContact O-CA 3.41Å; L56-L120 HydrophobicContact CB-CD1 3.7Å; L56-L120 HydrophobicContact CD1-CD1 3.61Å; L56-L120 HydrophobicContact CG-CD1 4.18Å; L120-A133 WeakPolarHBondContact O-CA 3.4Å; L120-V134 PolarHBondContact N-O 3.5Å; L120-V134 PolarHBondContact O-N 2.93Å
121	R	84.5	Confident	76.5	Confident	8 Å²	8	37.5 Å²	37.5	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153.7	-179.1	-52.2	-175.5	172.6	-119.6	0.3	110.7	F54 Y55 E119 Y125 D129 A133	F54-R121 VanDerWaalsContact CA-O 3.25Å; F54-R121 WeakPolarHBondContact CA-O 3.42Å; Y55-R121 HydrophobicContact CD1-CG 4.37Å; Y55-R121 PolarHBondContact N-O 3.5Å; Y55-R121 PolarHBondContact O-N 3.43Å; E119-R121 HydrophobicContact CG-CG 4.49Å; E119-R121 IonicContact OE1-CZ 3.84Å; E119-R121 IonicContact OE1-NE 2.64Å; E119-R121 PolarHBondContact OE1-NE 2.85Å; E119-R121 IonicContact OE1-NH2 3.96Å; E119-R121 PolarHBondContact OE1-NH2 3.3Å; R121-Y125 HydrophobicContact CB-CD1 4.22Å; R121-Y125 HydrophobicContact CB-CE1 4.21Å; R121-Y125 HydrophobicContact CB-CG 4.46Å; R121-Y125 VanDerWaalsContact CD-CZ 3.4Å; R121-Y125 VanDerWaalsContact NH1-CE2 3.29Å; R121-D129 PolarHBondContact NH1-O 2.89Å; R121-A133 HydrophobicContact CG-CB 3.77Å
122	S	82.1	Confident	76.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.8	168.6	-65.3	0	0	0	0	109.6	K17 R51 P124 Y125	K17-S122 PolarHBondContact O-OG 2.81Å; R51-S122 PolarHBondContact NE-OG 2.86Å; S122-P124 CarbonylContact O-C 3.6Å; S122-Y125 VanDerWaalsContact O-CB 3.32Å; S122-Y125 WeakPolarHBondContact O-CB 3.32Å; S122-Y125 WeakPolarHBondContact O-CD1 3.34Å
123	E	71.6	Confident	76.3	Confident	21 Å²	21	36.7 Å²	36.7	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.7	169.9	-169.8	178.6	-165.8	0	0	110.1	R51 E52 A53 Q736	R51-E123 CarbonylContact C-O 3.6Å; R51-E123 WeakPolarHBondContact CA-O 3.01Å; E52-E123 PolarHBondContact N-O 2.81Å; A53-E123 HydrophobicContact CB-CB 4.12Å; A53-E123 WeakPolarHBondContact CB-OE2 3.42Å; A53-E123 PolarHBondContact O-N 2.77Å; E123-Q736 PolarHBondContact OE1-NE2 3.3Å
124	P	67.2	Low	76.6	Confident	48 Å²	48	37 Å²	37	31%	0.312	19%	0.188	S	C	.	.	S	Bend	cis	-76.3	158	-3.9	32.9	-31	0	0	0	112	Y15 N50 S122	Y15-P124 HydrophobicContact CD1-CB 4.21Å; Y15-P124 HydrophobicContact CD1-CG 4.16Å; Y15-P124 WeakPolarHBondContact CD1-O 3.5Å; Y15-P124 HydrophobicContact CE1-CB 4.18Å; Y15-P124 HydrophobicContact CE1-CG 4.4Å; N50-P124 WeakPolarHBondContact O-CD 3.32Å; S122-P124 CarbonylContact O-C 3.6Å
125	Y	66.3	Low	76.5	Confident	17 Å²	17	40.9 Å²	40.9	7%	0.067	21%	0.207	C	C	.	.			trans	-144	157.2	171.4	63.5	-76.3	0	0	0	110.3	R121 S122 Y127	R121-Y125 HydrophobicContact CB-CD1 4.22Å; R121-Y125 HydrophobicContact CB-CE1 4.21Å; R121-Y125 HydrophobicContact CB-CG 4.46Å; R121-Y125 VanDerWaalsContact CD-CZ 3.4Å; R121-Y125 VanDerWaalsContact NH1-CE2 3.29Å; S122-Y125 VanDerWaalsContact O-CB 3.32Å; S122-Y125 WeakPolarHBondContact O-CB 3.32Å; S122-Y125 WeakPolarHBondContact O-CD1 3.34Å; Y125-Y127 AromaticContact CE2-CD2 3.62Å; Y125-Y127 HydrophobicContact CE2-CD2 3.62Å; Y125-Y127 HydrophobicContact CE2-CE2 4.28Å; Y125-Y127 AromaticContact CE2-CG 3.91Å; Y125-Y127 HydrophobicContact CE2-CG 3.91Å; Y125-Y127 AromaticContact CZ-CD2 3.55Å; Y125-Y127 AromaticContact CZ-CE2 3.99Å; Y125-Y127 PolarHBondContact O-N 2.85Å; Y125-Y127 VanDerWaalsContact O-N 3.16Å; Y125-Y127 WeakPolarHBondContact OH-CD2 3.49Å; Y125-Y127 WeakPolarHBondContact OH-CE2 3.29Å
126	V	60.9	Low	76.6	Confident	60 Å²	60	35.6 Å²	35.6	36%	0.364	19%	0.191	S	C	.	.			trans	-68.2	110.2	165.8	-174.8	0	0	0	0	107.8	Y15 G128 D129	Y15-V126 HydrophobicContact CD2-CG2 3.65Å; Y15-V126 HydrophobicContact CE1-CG2 4.43Å; Y15-V126 HydrophobicContact CE2-CG2 3.17Å; Y15-V126 HydrophobicContact CG-CG2 4.45Å; V126-G128 PolarHBondContact O-N 3.13Å; V126-D129 HydrophobicContact CB-CB 4.11Å; V126-D129 HydrophobicContact CG1-CB 4.37Å; V126-D129 PolarHBondContact O-N 3.41Å
127	Y	56.3	Low	76.7	Confident	25 Å²	25	38.9 Å²	38.9	10%	0.098	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	130.7	-178.8	-159	-70.9	0	0	0	109.5	Y125 P485 N486 N590	Y125-Y127 AromaticContact CE2-CD2 3.62Å; Y125-Y127 HydrophobicContact CE2-CD2 3.62Å; Y125-Y127 HydrophobicContact CE2-CE2 4.28Å; Y125-Y127 AromaticContact CE2-CG 3.91Å; Y125-Y127 HydrophobicContact CE2-CG 3.91Å; Y125-Y127 AromaticContact CZ-CD2 3.55Å; Y125-Y127 AromaticContact CZ-CE2 3.99Å; Y125-Y127 PolarHBondContact O-N 2.85Å; Y125-Y127 VanDerWaalsContact O-N 3.16Å; Y125-Y127 WeakPolarHBondContact OH-CD2 3.49Å; Y125-Y127 WeakPolarHBondContact OH-CE2 3.29Å; Y127-P485 HydrophobicContact CE1-CG 4.23Å; Y127-N486 WeakPolarHBondContact CE1-OD1 3.43Å; Y127-N486 PolarHBondContact OH-OD1 3.07Å; Y127-N590 WeakPolarHBondContact CB-OD1 3.37Å; Y127-N590 HydrophobicContact CD1-CB 3.28Å; Y127-N590 VanDerWaalsContact CD1-ND2 3.31Å; Y127-N590 WeakPolarHBondContact CD1-ND2 3.36Å; Y127-N590 HydrophobicContact CD2-CB 4.47Å; Y127-N590 WeakPolarHBondContact CD2-ND2 3.32Å; Y127-N590 HydrophobicContact CE1-CB 3.61Å; Y127-N590 WeakPolarHBondContact CE1-ND2 3.24Å; Y127-N590 WeakPolarHBondContact CE2-ND2 3.48Å; Y127-N590 HydrophobicContact CG-CB 3.77Å; Y127-N590 VanDerWaalsContact CG-OD1 3.31Å
128	G	50.6	Low	76.9	Confident	8 Å²	8	36.9 Å²	36.9	8%	0.082	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	-26	-179.7	0	0	0	0	0	115.3	V126 P130 H484 P485	V126-G128 PolarHBondContact O-N 3.13Å; G128-P130 VanDerWaalsContact O-CD 3.28Å; G128-P130 WeakPolarHBondContact O-CD 3.37Å; G128-H484 WeakPolarHBondContact CA-NE2 3.36Å; G128-P485 VanDerWaalsContact CA-CD 3.46Å; G128-P485 WeakPolarHBondContact O-CD 3.27Å
129	D	62.1	Low	77	Confident	41 Å²	41	42.6 Å²	42.6	22%	0.219	23%	0.232	C	C	.	.			trans	-70.6	117.2	-178.3	-170.7	-20.3	0	0	0	110.1	R121 V126 N131 Y132	R121-D129 PolarHBondContact NH1-O 2.89Å; V126-D129 HydrophobicContact CB-CB 4.11Å; V126-D129 HydrophobicContact CG1-CB 4.37Å; V126-D129 PolarHBondContact O-N 3.41Å; D129-N131 PolarHBondContact O-N 3.36Å; D129-N131 WeakPolarHBondContact OD1-CB 3.33Å; D129-N131 VanDerWaalsContact OD1-CG 3.31Å; D129-N131 PolarHBondContact OD1-N 2.95Å; D129-N131 PolarHBondContact OD1-ND2 3.01Å; D129-Y132 HydrophobicContact CB-CD2 3.86Å; D129-Y132 PolarHBondContact O-N 3.49Å; D129-Y132 WeakPolarHBondContact OD2-CD2 3.49Å; D129-Y132 WeakPolarHBondContact OD2-CE2 3.47Å
130	P	64.3	Low	77.1	Confident	85 Å²	85	42 Å²	42	55%	0.552	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-67.6	-20	178.6	28.8	-34.8	0	0	0	112.6	G128 Y132 A133	G128-P130 VanDerWaalsContact O-CD 3.28Å; G128-P130 WeakPolarHBondContact O-CD 3.37Å; P130-Y132 PolarHBondContact O-N 3.43Å; P130-A133 PolarHBondContact O-N 3.35Å
131	N	71.5	Confident	77	Confident	123 Å²	123	45.2 Å²	45.2	66%	0.658	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-68.7	-18.1	178.6	-60	-48.5	0	0	0	112.9	P18 D129	P18-N131 WeakPolarHBondContact CG-O 3.27Å; D129-N131 PolarHBondContact O-N 3.36Å; D129-N131 WeakPolarHBondContact OD1-CB 3.33Å; D129-N131 VanDerWaalsContact OD1-CG 3.31Å; D129-N131 PolarHBondContact OD1-N 2.95Å; D129-N131 PolarHBondContact OD1-ND2 3.01Å
132	Y	78.4	Confident	76.8	Confident	59 Å²	59	47.6 Å²	47.6	23%	0.231	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-106.2	17.1	178.3	-64.7	-83.2	0	0	0	113.1	Y15 D129 P130	Y15-Y132 VanDerWaalsContact CB-CE1 3.43Å; Y15-Y132 HydrophobicContact CG-CE1 4.47Å; D129-Y132 HydrophobicContact CB-CD2 3.86Å; D129-Y132 PolarHBondContact O-N 3.49Å; D129-Y132 WeakPolarHBondContact OD2-CD2 3.49Å; D129-Y132 WeakPolarHBondContact OD2-CE2 3.47Å; P130-Y132 PolarHBondContact O-N 3.43Å
133	A	82.2	Confident	76.5	Confident	12 Å²	12	50.2 Å²	50.2	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.6	175.1	0	0	0	0	0	111	E119 L120 R121 P130	E119-A133 HydrophobicContact CG-CB 4.41Å; L120-A133 WeakPolarHBondContact O-CA 3.4Å; R121-A133 HydrophobicContact CG-CB 3.77Å; P130-A133 PolarHBondContact O-N 3.35Å
134	V	88.2	Confident	77.1	Confident	38 Å²	38	49.8 Å²	49.8	23%	0.23	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.9	163.7	166.5	0	0	0	0	108.9	P18 P19 V22 E119 L120 V136	P18-V134 HydrophobicContact CB-CG2 4.13Å; P18-V134 HydrophobicContact CG-CG2 4.35Å; P19-V134 WeakPolarHBondContact O-CG2 3.48Å; V22-V134 HydrophobicContact CB-CG1 4.09Å; V22-V134 HydrophobicContact CG2-CB 4.19Å; V22-V134 HydrophobicContact CG2-CG1 3.58Å; E119-V134 WeakPolarHBondContact CA-O 3.29Å; L120-V134 PolarHBondContact N-O 3.5Å; L120-V134 PolarHBondContact O-N 2.93Å; V134-V136 HydrophobicContact CG1-CG1 4.09Å
135	I	87.5	Confident	77.6	Confident	85 Å²	85	52.5 Å²	52.5	44%	0.436	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.4	179.3	-57.9	163.5	0	0	0	108	R117 V118 E119	R117-I135 HydrophobicContact CG-CG2 3.89Å; R117-I135 VanDerWaalsContact NH2-CD1 3.34Å; V118-I135 CarbonylContact O-C 3.6Å; V118-I135 WeakPolarHBondContact O-CA 3.42Å; E119-I135 HydrophobicContact CB-CG1 4.04Å; E119-I135 HydrophobicContact CG-CG1 3.88Å
136	V	91.3	Very high	77.7	Confident	36 Å²	36	57.4 Å²	57.4	22%	0.218	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.1	173.2	-61.5	0	0	0	0	110.2	V22 V118 V134	V22-V136 HydrophobicContact CB-CG1 4.2Å; V22-V136 HydrophobicContact CB-CG2 4.17Å; V22-V136 HydrophobicContact CG1-CG2 3.71Å; V118-V136 HydrophobicContact CB-CG2 3.79Å; V118-V136 HydrophobicContact CG2-CG2 4.39Å; V118-V136 PolarHBondContact N-O 2.75Å; V118-V136 PolarHBondContact O-N 3.39Å; V134-V136 HydrophobicContact CG1-CG1 4.09Å
137	T	92	Very high	78.2	Confident	70 Å²	70	58.4 Å²	58.4	43%	0.429	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.7	171.7	-62.3	0	0	0	0	108.7	K61 R115 Y116	K61-T137 HydrophobicContact CD-CG2 3.55Å; K61-T137 HydrophobicContact CG-CG2 4.49Å; R115-T137 HydrophobicContact CB-CG2 4.1Å; Y116-T137 CarbonylContact O-C 3.45Å; Y116-T137 WeakPolarHBondContact O-CA 3.45Å
138	V	92.7	Very high	78.8	Confident	26 Å²	26	58.2 Å²	58.2	16%	0.158	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.7	179.2	-66	0	0	0	0	110	V24 F26 R115 Y116 V118	V24-V138 HydrophobicContact CB-CB 4.39Å; V24-V138 HydrophobicContact CB-CG1 4.01Å; V24-V138 HydrophobicContact CB-CG2 4.04Å; V24-V138 HydrophobicContact CG1-CG2 4.42Å; V24-V138 HydrophobicContact CG2-CB 4.39Å; V24-V138 HydrophobicContact CG2-CG1 3.79Å; V24-V138 HydrophobicContact CG2-CG2 3.85Å; F26-V138 HydrophobicContact CE2-CB 4.33Å; F26-V138 HydrophobicContact CE2-CG2 4.29Å; F26-V138 HydrophobicContact CZ-CB 4.27Å; F26-V138 HydrophobicContact CZ-CG2 3.74Å; R115-V138 CarbonylContact C-O 3.5Å; R115-V138 VanDerWaalsContact CA-O 3.29Å; R115-V138 WeakPolarHBondContact CA-O 3.48Å; Y116-V138 PolarHBondContact N-O 2.96Å; Y116-V138 PolarHBondContact O-N 3.4Å; V118-V138 HydrophobicContact CG2-CG2 4.29Å
139	K	92.9	Very high	80	Confident	120 Å²	120	58.9 Å²	58.9	52%	0.522	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.5	173.8	-172.5	-177.5	177.2	-175.4	0	108.1	G113 C114 R115 P141	G113-K139 VanDerWaalsContact O-CE 3.26Å; G113-K139 WeakPolarHBondContact O-CE 3.3Å; C114-K139 WeakPolarHBondContact O-CA 3.39Å; R115-K139 HydrophobicContact CG-CB 4.02Å; R115-K139 HydrophobicContact CG-CG 4.02Å; K139-P141 WeakPolarHBondContact O-CD 3.37Å
140	I	89.2	Confident	80.2	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.338	C	S	.	.			trans	-67.2	123.4	171.5	-58.2	-169.4	0	0	0	107.5	F26 L37 L110 F112 G113 C114 Y116 V144	F26-I140 HydrophobicContact CD1-CD1 3.9Å; F26-I140 HydrophobicContact CD1-CG1 3.92Å; F26-I140 HydrophobicContact CD2-CG1 4.32Å; F26-I140 HydrophobicContact CE1-CD1 3.67Å; F26-I140 HydrophobicContact CE1-CG1 3.54Å; F26-I140 HydrophobicContact CE2-CG1 3.98Å; F26-I140 HydrophobicContact CG-CG1 4.29Å; F26-I140 HydrophobicContact CZ-CD1 4.23Å; F26-I140 HydrophobicContact CZ-CG1 3.57Å; L37-I140 HydrophobicContact CD1-CD1 4.24Å; L37-I140 HydrophobicContact CD1-CG2 3.98Å; L110-I140 HydrophobicContact CB-CD1 3.83Å; L110-I140 HydrophobicContact CD1-CD1 4.43Å; L110-I140 HydrophobicContact CD2-CD1 4.39Å; L110-I140 HydrophobicContact CG-CD1 4.45Å; F112-I140 HydrophobicContact CD1-CG2 3.93Å; G113-I140 WeakPolarHBondContact CA-O 3.45Å; G113-I140 PolarHBondContact N-O 3Å; C114-I140 PolarHBondContact O-N 3.18Å; Y116-I140 HydrophobicContact CD2-CD1 3.95Å; Y116-I140 HydrophobicContact CD2-CG1 3.89Å; Y116-I140 HydrophobicContact CE2-CD1 3.34Å; Y116-I140 HydrophobicContact CE2-CG1 3.64Å; I140-V144 HydrophobicContact CG2-CG2 4.19Å
141	P	85.4	Confident	80.4	Confident	67 Å²	67	59.5 Å²	59.5	44%	0.435	34%	0.343	S	S	.	.			trans	-55.5	163.1	175.5	-23.7	33.8	0	0	0	111.3	F112 K139 C143 V144	F112-P141 VanDerWaalsContact CD1-O 3.23Å; F112-P141 WeakPolarHBondContact CD1-O 3.39Å; K139-P141 WeakPolarHBondContact O-CD 3.37Å; P141-C143 WeakPolarHBondContact CB-O 3.42Å; P141-C143 PolarHBondContact O-N 3.3Å; P141-V144 HydrophobicContact CG-CG2 4.48Å
142	T	80.5	Confident	80	Confident	58 Å²	58	56.3 Å²	56.3	36%	0.356	33%	0.333	S	S	.	.	S	Bend	trans	-72.9	-8.2	175.5	50	0	0	0	0	113.2	C148 S149 A152	T142-C148 CarbonylContact O-C 3.49Å; T142-C148 VanDerWaalsContact O-CA 3.25Å; T142-C148 WeakPolarHBondContact O-CA 3.49Å; T142-S149 PolarHBondContact O-N 2.97Å; T142-A152 HydrophobicContact CG2-CB 4.06Å
143	C	76	Confident	79.5	Confident	56 Å²	56	56.4 Å²	56.4	38%	0.378	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132.7	177.3	-69.3	0	0	0	0	109.9	P141 Y147 C148	P141-C143 WeakPolarHBondContact CB-O 3.42Å; P141-C143 PolarHBondContact O-N 3.3Å; C143-Y147 CarbonylContact C-O 3.6Å; C143-Y147 WeakPolarHBondContact CA-O 3.47Å; C143-C148 HydrophobicContact CB-CB 4.05Å; C143-C148 WeakPolarHBondContact CB-SG 3.42Å; C143-C148 WeakPolarHBondContact SG-CB 3.49Å; C143-C148 CovalentContact SG-SG 2.03Å; C143-C148 PolarHBondContact SG-SG 3.04Å
144	V	82.8	Confident	79	Confident	11 Å²	11	59.8 Å²	59.8	7%	0.067	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.9	174.4	178.8	0	0	0	0	107.1	F26 V28 L37 F112 I140 P141 S146 Y147	F26-V144 HydrophobicContact CB-CG1 4.05Å; F26-V144 HydrophobicContact CB-CG2 4.06Å; F26-V144 VanDerWaalsContact O-CG1 3.23Å; F26-V144 WeakPolarHBondContact O-CG1 3.22Å; V28-V144 HydrophobicContact CG2-CB 4.4Å; V28-V144 HydrophobicContact CG2-CG1 4.24Å; V28-V144 WeakPolarHBondContact CG2-O 3.41Å; L37-V144 HydrophobicContact CD2-CB 3.89Å; L37-V144 HydrophobicContact CD2-CG1 4.26Å; L37-V144 HydrophobicContact CD2-CG2 3.97Å; F112-V144 HydrophobicContact CE1-CB 4.33Å; F112-V144 HydrophobicContact CE1-CG2 4.14Å; I140-V144 HydrophobicContact CG2-CG2 4.19Å; P141-V144 HydrophobicContact CG-CG2 4.48Å; V144-S146 VanDerWaalsContact C-N 3.26Å; V144-S146 PolarHBondContact O-N 2.64Å; V144-S146 VanDerWaalsContact O-N 3.16Å; V144-Y147 PolarHBondContact N-O 2.83Å; V144-Y147 WeakPolarHBondContact O-CA 3.34Å; V144-Y147 WeakPolarHBondContact O-CB 3.41Å; V144-Y147 PolarHBondContact O-N 2.77Å; V144-Y147 VanDerWaalsContact O-O 3.09Å
145	D	78.7	Confident	78.6	Confident	106 Å²	106	63.3 Å²	63.3	57%	0.567	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	43.7	-177.8	-51.8	-29.7	0	0	0	114.4	S27 V28 Y147	S27-D145 VanDerWaalsContact CA-OD2 3.22Å; S27-D145 WeakPolarHBondContact CA-OD2 3.35Å; S27-D145 WeakPolarHBondContact CB-OD2 3.31Å; V28-D145 HydrophobicContact CB-CB 4.21Å; V28-D145 HydrophobicContact CG2-CB 3.81Å; V28-D145 PolarHBondContact N-OD2 3.37Å; D145-Y147 PolarHBondContact O-N 3.49Å; D145-Y147 VanDerWaalsContact O-N 3.09Å
146	S	69.2	Low	78.5	Confident	119 Å²	119	59.4 Å²	59.4	83%	0.832	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	7.9	-175.1	-48.1	0	0	0	0	115.6	V144	V144-S146 VanDerWaalsContact C-N 3.26Å; V144-S146 PolarHBondContact O-N 2.64Å; V144-S146 VanDerWaalsContact O-N 3.16Å
147	Y	70.2	Confident	78.2	Confident	81 Å²	81	59.3 Å²	59.3	32%	0.318	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.6	165.5	-175.1	-133.5	0	0	0	108.5	V28 K35 F112 C143 V144 D145	V28-Y147 HydrophobicContact CG1-CD1 4.18Å; V28-Y147 HydrophobicContact CG1-CG 4.43Å; V28-Y147 HydrophobicContact CG2-CD1 3.96Å; V28-Y147 HydrophobicContact CG2-CG 4.2Å; K35-Y147 HydrophobicContact CB-CD1 4.44Å; K35-Y147 HydrophobicContact CB-CD2 4.48Å; K35-Y147 HydrophobicContact CB-CE1 4.21Å; K35-Y147 HydrophobicContact CB-CE2 4.25Å; K35-Y147 HydrophobicContact CD-CD2 4.09Å; K35-Y147 HydrophobicContact CD-CE2 4.43Å; K35-Y147 HydrophobicContact CD-CG 4.43Å; K35-Y147 PolarHBondContact O-OH 3.44Å; F112-Y147 WeakPolarHBondContact CE1-O 3.5Å; F112-Y147 AromaticContact CE2-CD1 3.87Å; F112-Y147 HydrophobicContact CE2-CD1 3.87Å; F112-Y147 AromaticContact CE2-CE1 3.7Å; F112-Y147 HydrophobicContact CE2-CE1 3.7Å; F112-Y147 HydrophobicContact CE2-CG 4.43Å; F112-Y147 AromaticContact CZ-CD1 3.43Å; F112-Y147 HydrophobicContact CZ-CD1 3.43Å; F112-Y147 VanDerWaalsContact CZ-CD1 3.43Å; F112-Y147 AromaticContact CZ-CE1 3.76Å; F112-Y147 HydrophobicContact CZ-CE1 3.76Å; F112-Y147 AromaticContact CZ-CG 3.94Å; F112-Y147 HydrophobicContact CZ-CG 3.94Å; F112-Y147 WeakPolarHBondContact CZ-O 3.18Å; C143-Y147 CarbonylContact C-O 3.6Å; C143-Y147 WeakPolarHBondContact CA-O 3.47Å; V144-Y147 PolarHBondContact N-O 2.83Å; V144-Y147 WeakPolarHBondContact O-CA 3.34Å; V144-Y147 WeakPolarHBondContact O-CB 3.41Å; V144-Y147 PolarHBondContact O-N 2.77Å; V144-Y147 VanDerWaalsContact O-O 3.09Å; D145-Y147 PolarHBondContact O-N 3.49Å; D145-Y147 VanDerWaalsContact O-N 3.09Å
148	C	70.1	Confident	78.1	Confident	22 Å²	22	62.3 Å²	62.3	15%	0.149	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.3	-168.9	-65.2	0	0	0	0	113.1	T142 C143 Q153	T142-C148 CarbonylContact O-C 3.49Å; T142-C148 VanDerWaalsContact O-CA 3.25Å; T142-C148 WeakPolarHBondContact O-CA 3.49Å; C143-C148 HydrophobicContact CB-CB 4.05Å; C143-C148 WeakPolarHBondContact CB-SG 3.42Å; C143-C148 WeakPolarHBondContact SG-CB 3.49Å; C143-C148 CovalentContact SG-SG 2.03Å; C143-C148 PolarHBondContact SG-SG 3.04Å; C148-Q153 VanDerWaalsContact CB-CD 3.42Å; C148-Q153 HydrophobicContact CB-CG 3.77Å
149	S	74.4	Confident	78	Confident	21 Å²	21	61.1 Å²	61.1	15%	0.147	35%	0.345	C	S	.	.			trans	-67.6	140.9	166.1	172.8	0	0	0	0	111.8	T142 S151 A152	T142-S149 PolarHBondContact O-N 2.97Å; S149-S151 PolarHBondContact O-N 2.9Å; S149-S151 PolarHBondContact OG-N 2.76Å; S149-S151 VanDerWaalsContact OG-N 3.13Å; S149-S151 PolarHBondContact OG-OG 3.09Å; S149-A152 PolarHBondContact O-N 2.92Å; S149-A152 VanDerWaalsContact O-N 3.09Å
150	C	67.4	Low	78	Confident	47 Å²	47	61.9 Å²	61.9	32%	0.318	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.1	173.2	-75.3	0	0	0	0	117.3	A152 R155 C259	C150-A152 VanDerWaalsContact C-N 3.3Å; C150-R155 PolarHBondContact O-NE 3.28Å; C150-R155 PolarHBondContact O-NH2 3.2Å; C150-C259 WeakPolarHBondContact CA-SG 3.36Å; C150-C259 HydrophobicContact CB-CB 3.39Å; C150-C259 WeakPolarHBondContact CB-SG 3.32Å; C150-C259 WeakPolarHBondContact SG-CB 3.34Å; C150-C259 CovalentContact SG-SG 2.03Å; C150-C259 PolarHBondContact SG-SG 3.26Å
151	S	67.6	Low	78.2	Confident	93 Å²	93	63 Å²	63	65%	0.65	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.6	170.3	62.7	0	0	0	0	112.8	S149	S149-S151 PolarHBondContact O-N 2.9Å; S149-S151 PolarHBondContact OG-N 2.76Å; S149-S151 VanDerWaalsContact OG-N 3.13Å; S149-S151 PolarHBondContact OG-OG 3.09Å
152	A	63.7	Low	78.6	Confident	56 Å²	56	66.2 Å²	66.2	46%	0.463	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-5.3	-175.8	0	0	0	0	0	113.5	T142 S149 C150	T142-A152 HydrophobicContact CG2-CB 4.06Å; S149-A152 PolarHBondContact O-N 2.92Å; S149-A152 VanDerWaalsContact O-N 3.09Å; C150-A152 VanDerWaalsContact C-N 3.3Å
153	Q	68.1	Low	79.3	Confident	61 Å²	61	65.2 Å²	65.2	29%	0.285	36%	0.359	S	S	.	.	S	Bend	trans	-106.7	149.8	-179.5	-66.8	-173.9	-55.7	0	0	111.2	C148 R155 C259	C148-Q153 VanDerWaalsContact CB-CD 3.42Å; C148-Q153 HydrophobicContact CB-CG 3.77Å; Q153-R155 PolarHBondContact O-N 2.88Å; Q153-C259 HydrophobicContact CB-CB 4.49Å; Q153-C259 PolarHBondContact OE1-SG 3.16Å
154	P	70.5	Confident	80.1	Confident	82 Å²	82	63.6 Å²	63.6	53%	0.532	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-56.7	132.1	168.8	20.8	-28.3	0	0	0	109.9	L258 C259	P154-L258 HydrophobicContact CB-CD2 3.96Å; P154-L258 HydrophobicContact CG-CD2 3.74Å; P154-C259 PolarHBondContact O-N 2.96Å
155	R	81.1	Confident	80.7	Confident	112 Å²	112	66.8 Å²	66.8	42%	0.423	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-91.4	153.5	176.4	-76.1	179.4	-171.1	-112.3	6.1	110.4	C150 Q153 C259 R260	C150-R155 PolarHBondContact O-NE 3.28Å; C150-R155 PolarHBondContact O-NH2 3.2Å; Q153-R155 PolarHBondContact O-N 2.88Å; R155-C259 VanDerWaalsContact CA-O 3.32Å; R155-C259 WeakPolarHBondContact CA-O 3.41Å; R155-C259 HydrophobicContact CG-CB 3.66Å; R155-R260 PolarHBondContact NH1-O 3.37Å; R155-R260 VanDerWaalsContact NH1-O 3.08Å
156	V	84.6	Confident	81.4	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.024	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-60.7	138.2	163	-173.2	0	0	0	0	108.4	F183 I194 A253 L258 C259 S261	V156-F183 HydrophobicContact CG1-CE2 3.96Å; V156-F183 HydrophobicContact CG1-CZ 3.83Å; V156-I194 HydrophobicContact CG1-CD1 3.96Å; V156-I194 HydrophobicContact CG1-CG1 4.38Å; V156-I194 HydrophobicContact CG1-CG2 3.99Å; V156-A253 HydrophobicContact CB-CB 4.24Å; V156-A253 HydrophobicContact CG1-CB 3.57Å; V156-L258 HydrophobicContact CG2-CB 3.73Å; V156-L258 HydrophobicContact CG2-CD1 4.09Å; V156-C259 PolarHBondContact N-O 2.77Å; V156-S261 WeakPolarHBondContact O-CA 3.38Å; V156-S261 WeakPolarHBondContact O-CB 3.4Å
157	A	85.8	Confident	82.5	Confident	34 Å²	34	60.6 Å²	60.6	28%	0.281	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-53.8	149.1	174.6	0	0	0	0	0	110.7	F183 P186 S261	A157-F183 HydrophobicContact CB-CE2 3.87Å; A157-F183 HydrophobicContact CB-CZ 4.19Å; A157-F183 WeakPolarHBondContact O-CE2 3.45Å; A157-P186 HydrophobicContact CB-CG 3.99Å; A157-S261 WeakPolarHBondContact O-CB 3.41Å
158	R	88.9	Confident	83.5	Confident	132 Å²	132	60.3 Å²	60.3	50%	0.498	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-74.5	127.8	178.2	-171.2	-176.4	-167.9	-166.7	-0.3	108.7	K262 E263 V264	R158-K262 HydrophobicContact CG-CB 4.33Å; R158-E263 PolarHBondContact NE-O 3.47Å; R158-E263 PolarHBondContact NH2-O 3.43Å; R158-V264 HydrophobicContact CG-CG2 3.7Å
159	P	91.2	Very high	84.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.3	145.7	170.6	26.2	-30.8	0	0	0	110.4	W181 F183 F196 M251 V264	P159-W181 HydrophobicContact CB-CG 4.39Å; P159-F183 HydrophobicContact CB-CD2 4.4Å; P159-F196 HydrophobicContact CB-CD1 4.33Å; P159-F196 HydrophobicContact CB-CE1 4.19Å; P159-F196 HydrophobicContact CG-CD1 4.45Å; P159-M251 HydrophobicContact CB-CE 3.76Å; P159-M251 HydrophobicContact CB-SD 4.19Å; P159-M251 HydrophobicContact CG-CE 3.86Å; P159-M251 HydrophobicContact CG-CG 4Å; P159-M251 HydrophobicContact CG-SD 4.18Å; P159-V264 HydrophobicContact CG-CG2 4.1Å; P159-V264 WeakPolarHBondContact O-CG2 3.47Å
160	E	93.1	Very high	84.9	Confident	136 Å²	136	63.4 Å²	63.4	64%	0.636	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	107.6	-175.2	-69.2	-178.1	177.2	0	0	110.5	K162 W181 N182	E160-K162 PolarHBondContact O-N 3.23Å; E160-K162 VanDerWaalsContact O-N 3.12Å; E160-W181 CarbonylContact O-C 3.6Å; E160-W181 WeakPolarHBondContact O-CA 2.95Å; E160-W181 VanDerWaalsContact O-CB 3.22Å; E160-W181 WeakPolarHBondContact O-CB 3.47Å; E160-N182 PolarHBondContact N-O 2.68Å; E160-N182 PolarHBondContact O-N 2.97Å
161	I	93.1	Very high	85.7	Confident	24 Å²	24	70 Å²	70	12%	0.123	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	115.9	179.7	-60.2	172.3	0	0	0	109.6	L179 M251 V264 R266	I161-L179 HydrophobicContact CD1-CD1 4.27Å; I161-L179 HydrophobicContact CG1-CD1 4.23Å; I161-L179 HydrophobicContact CG2-CD1 3.71Å; I161-M251 HydrophobicContact CD1-CE 4.09Å; I161-M251 HydrophobicContact CG1-CE 3.4Å; I161-V264 HydrophobicContact CD1-CB 4.41Å; I161-V264 HydrophobicContact CD1-CG1 3.51Å; I161-V264 HydrophobicContact CG1-CG1 3.85Å; I161-R266 HydrophobicContact CD1-CB 3.73Å; I161-R266 PolarHBondContact O-NH1 3.21Å; I161-R266 VanDerWaalsContact O-NH1 3.12Å
162	K	93.9	Very high	86.5	Confident	134 Å²	134	69.9 Å²	69.9	58%	0.583	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	-51.9	178.5	-177.5	-175.1	178.5	-174.1	0	110.5	E160 T180	E160-K162 PolarHBondContact O-N 3.23Å; E160-K162 VanDerWaalsContact O-N 3.12Å; K162-T180 PolarHBondContact N-O 3.03Å
163	S	94.1	Very high	87.5	Confident	38 Å²	38	74.2 Å²	74.2	27%	0.266	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.7	175.8	71.8	0	0	0	0	112.1	T180	S163-T180 PolarHBondContact N-O 3.24Å; S163-T180 VanDerWaalsContact N-O 3.15Å; S163-T180 PolarHBondContact N-OG1 2.87Å; S163-T180 PolarHBondContact O-N 2.93Å; S163-T180 PolarHBondContact OG-OG1 3.04Å
164	L	94.5	Very high	88.5	Confident	22 Å²	22	73.4 Å²	73.4	12%	0.115	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	103	172.7	175.9	54.5	0	0	0	106.9	A177 L178 L179 L238 V249 F268	L164-A177 HydrophobicContact CD1-CB 4.01Å; L164-L178 WeakPolarHBondContact CA-O 3.4Å; L164-L179 HydrophobicContact CB-CD1 4.22Å; L164-L179 HydrophobicContact CD1-CB 4.02Å; L164-L179 HydrophobicContact CD1-CD1 4.02Å; L164-L179 HydrophobicContact CG-CD1 4.49Å; L164-L238 HydrophobicContact CD1-CD1 3.8Å; L164-V249 HydrophobicContact CD1-CG2 4.34Å; L164-V249 HydrophobicContact CD2-CB 4.34Å; L164-V249 HydrophobicContact CD2-CG2 3.63Å; L164-F268 HydrophobicContact CD2-CB 3.78Å; L164-F268 HydrophobicContact CD2-CD1 3.49Å; L164-F268 VanDerWaalsContact CD2-CD1 3.49Å; L164-F268 HydrophobicContact CD2-CD2 4.35Å; L164-F268 HydrophobicContact CD2-CE1 4.11Å; L164-F268 HydrophobicContact CD2-CG 3.61Å; L164-F268 HydrophobicContact CG-CB 4.21Å; L164-F268 HydrophobicContact CG-CD1 4.32Å; L164-F268 HydrophobicContact CG-CD2 4.33Å; L164-F268 HydrophobicContact CG-CG 4.04Å
165	V	94.3	Very high	89.5	Confident	78 Å²	78	70.8 Å²	70.8	47%	0.473	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.9	-167.2	-175.4	0	0	0	0	110.1	A177 L178	V165-A177 CarbonylContact O-C 3.58Å; V165-A177 VanDerWaalsContact O-CA 3.29Å; V165-A177 WeakPolarHBondContact O-CA 3.33Å; V165-L178 PolarHBondContact N-O 2.61Å; V165-L178 PolarHBondContact O-N 2.87Å
166	P	94.1	Very high	90.1	Very high	33 Å²	33	66 Å²	66	21%	0.214	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	145.1	170.9	-19.6	33.4	0	0	0	112.3	K176 A177 F268 V270 V272	P166-K176 CarbonylContact C-O 3.54Å; P166-K176 VanDerWaalsContact CA-O 3.31Å; P166-K176 WeakPolarHBondContact CA-O 3.19Å; P166-A177 HydrophobicContact CB-CB 4.48Å; P166-A177 HydrophobicContact CG-CB 4.49Å; P166-F268 HydrophobicContact CG-CD2 3.95Å; P166-F268 HydrophobicContact CG-CE2 4.4Å; P166-V270 HydrophobicContact CB-CB 4.47Å; P166-V270 HydrophobicContact CB-CG1 4.2Å; P166-V270 HydrophobicContact CB-CG2 4.26Å; P166-V270 HydrophobicContact CG-CG2 4.33Å; P166-V272 HydrophobicContact CB-CG2 3.98Å
167	F	92.3	Very high	90.5	Very high	62 Å²	62	65.8 Å²	65.8	27%	0.272	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166	175.1	68.1	-85.4	0	0	0	111.4	D169 K176 L178 L237	F167-D169 HydrophobicContact CE2-CB 4.08Å; F167-K176 HydrophobicContact CD1-CB 4.49Å; F167-K176 HydrophobicContact CE1-CB 3.97Å; F167-K176 HydrophobicContact CE2-CB 4.21Å; F167-K176 HydrophobicContact CZ-CB 3.83Å; F167-K176 HydrophobicContact CZ-CD 4.44Å; F167-K176 PolarHBondContact N-O 2.91Å; F167-K176 PolarHBondContact O-N 2.91Å; F167-K176 VanDerWaalsContact O-O 3.06Å; F167-L178 HydrophobicContact CE1-CB 4.09Å; F167-L237 HydrophobicContact CE1-CD1 3.67Å; F167-L237 HydrophobicContact CZ-CD1 3.51Å
168	W	90.4	Very high	91	Very high	74 Å²	74	66.8 Å²	66.8	28%	0.28	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.7	172.1	175.4	-103.6	0	0	0	109.5	E173 F175 V272	W168-E173 HydrophobicContact CH2-CB 4.18Å; W168-E173 WeakPolarHBondContact CH2-O 3.28Å; W168-E173 HydrophobicContact CZ2-CB 3.96Å; W168-F175 AromaticContact CE3-CD1 3.76Å; W168-F175 HydrophobicContact CE3-CD1 3.76Å; W168-F175 AromaticContact CE3-CD2 3.83Å; W168-F175 HydrophobicContact CE3-CD2 3.83Å; W168-F175 AromaticContact CE3-CE1 3.61Å; W168-F175 HydrophobicContact CE3-CE1 3.61Å; W168-F175 AromaticContact CE3-CE2 3.69Å; W168-F175 HydrophobicContact CE3-CE2 3.69Å; W168-F175 AromaticContact CE3-CG 3.85Å; W168-F175 HydrophobicContact CE3-CG 3.85Å; W168-F175 AromaticContact CE3-CZ 3.56Å; W168-F175 HydrophobicContact CE3-CZ 3.56Å; W168-F175 HydrophobicContact CZ3-CD1 4.41Å; W168-F175 AromaticContact CZ3-CD2 3.64Å; W168-F175 HydrophobicContact CZ3-CD2 3.64Å; W168-F175 HydrophobicContact CZ3-CE1 4.22Å; W168-F175 AromaticContact CZ3-CE2 3.4Å; W168-F175 HydrophobicContact CZ3-CE2 3.4Å; W168-F175 VanDerWaalsContact CZ3-CE2 3.4Å; W168-F175 HydrophobicContact CZ3-CG 4.13Å; W168-F175 AromaticContact CZ3-CZ 3.71Å; W168-F175 HydrophobicContact CZ3-CZ 3.71Å; W168-V272 HydrophobicContact CB-CG1 4Å
169	D	88.8	Confident	91.3	Very high	35 Å²	35	60.5 Å²	60.5	19%	0.187	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.7	173	-169.6	-19.1	0	0	0	109.6	F167 K171 E173 T174 K176	F167-D169 HydrophobicContact CE2-CB 4.08Å; D169-K171 PolarHBondContact O-N 3.32Å; D169-K171 WeakPolarHBondContact OD1-CB 3.06Å; D169-K171 PolarHBondContact OD1-N 2.78Å; D169-E173 WeakPolarHBondContact O-CA 3.44Å; D169-E173 PolarHBondContact O-N 2.97Å; D169-T174 PolarHBondContact N-O 3.41Å; D169-T174 PolarHBondContact O-N 2.94Å; D169-K176 HydrophobicContact CB-CD 3.87Å; D169-K176 HydrophobicContact CB-CG 4.31Å; D169-K176 WeakPolarHBondContact OD2-CE 3.49Å; D169-K176 IonicContact OD2-NZ 2.8Å; D169-K176 PolarHBondContact OD2-NZ 3.1Å
170	A	84.9	Confident	91.6	Very high	73 Å²	73	60.8 Å²	60.8	60%	0.603	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.7	-179.5	0	0	0	0	0	113.5
171	K	84.6	Confident	91.7	Very high	186 Å²	186	54.3 Å²	54.3	81%	0.809	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-41.5	-178.6	-173	-177.6	177	-175.1	0	111.9	D169	D169-K171 PolarHBondContact O-N 3.32Å; D169-K171 WeakPolarHBondContact OD1-CB 3.06Å; D169-K171 PolarHBondContact OD1-N 2.78Å
172	D	84.4	Confident	91.8	Very high	91 Å²	91	55.9 Å²	55.9	49%	0.487	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	0.6	-178	-67.7	-10	0	0	0	112.5	T174 K176	D172-T174 VanDerWaalsContact C-N 3.26Å; D172-T174 WeakPolarHBondContact O-CG2 3.29Å; D172-T174 PolarHBondContact O-N 3.44Å; D172-K176 IonicContact OD2-NZ 3.58Å; D172-K176 PolarHBondContact OD2-NZ 2.63Å
173	E	85.7	Confident	91.7	Very high	147 Å²	147	49.6 Å²	49.6	69%	0.687	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	43.6	-176.9	-60.7	-173.7	169.2	0	0	113.5	W168 D169	W168-E173 HydrophobicContact CH2-CB 4.18Å; W168-E173 WeakPolarHBondContact CH2-O 3.28Å; W168-E173 HydrophobicContact CZ2-CB 3.96Å; D169-E173 WeakPolarHBondContact O-CA 3.44Å; D169-E173 PolarHBondContact O-N 2.97Å
174	T	89.3	Confident	91.3	Very high	44 Å²	44	57.7 Å²	57.7	27%	0.27	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.3	-175.7	45.6	0	0	0	0	112.5	D169 D172 K176	D169-T174 PolarHBondContact N-O 3.41Å; D169-T174 PolarHBondContact O-N 2.94Å; D172-T174 VanDerWaalsContact C-N 3.26Å; D172-T174 WeakPolarHBondContact O-CG2 3.29Å; D172-T174 PolarHBondContact O-N 3.44Å; T174-K176 WeakPolarHBondContact OG1-CE 3.45Å
175	F	90.5	Very high	90.8	Very high	27 Å²	27	58.1 Å²	58.1	12%	0.118	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129	168.9	-63.7	-84.1	0	0	0	109.6	W168 L241 N243 V270 V272 L274	W168-F175 AromaticContact CE3-CD1 3.76Å; W168-F175 HydrophobicContact CE3-CD1 3.76Å; W168-F175 AromaticContact CE3-CD2 3.83Å; W168-F175 HydrophobicContact CE3-CD2 3.83Å; W168-F175 AromaticContact CE3-CE1 3.61Å; W168-F175 HydrophobicContact CE3-CE1 3.61Å; W168-F175 AromaticContact CE3-CE2 3.69Å; W168-F175 HydrophobicContact CE3-CE2 3.69Å; W168-F175 AromaticContact CE3-CG 3.85Å; W168-F175 HydrophobicContact CE3-CG 3.85Å; W168-F175 AromaticContact CE3-CZ 3.56Å; W168-F175 HydrophobicContact CE3-CZ 3.56Å; W168-F175 HydrophobicContact CZ3-CD1 4.41Å; W168-F175 AromaticContact CZ3-CD2 3.64Å; W168-F175 HydrophobicContact CZ3-CD2 3.64Å; W168-F175 HydrophobicContact CZ3-CE1 4.22Å; W168-F175 AromaticContact CZ3-CE2 3.4Å; W168-F175 HydrophobicContact CZ3-CE2 3.4Å; W168-F175 VanDerWaalsContact CZ3-CE2 3.4Å; W168-F175 HydrophobicContact CZ3-CG 4.13Å; W168-F175 AromaticContact CZ3-CZ 3.71Å; W168-F175 HydrophobicContact CZ3-CZ 3.71Å; F175-L241 HydrophobicContact CB-CB 4.14Å; F175-L241 WeakPolarHBondContact O-CB 3.28Å; F175-L241 PolarHBondContact O-N 3.45Å; F175-N243 HydrophobicContact CD1-CB 4.34Å; F175-N243 HydrophobicContact CD2-CB 4.19Å; F175-N243 HydrophobicContact CE1-CB 3.88Å; F175-N243 HydrophobicContact CE2-CB 3.72Å; F175-N243 HydrophobicContact CG-CB 4.49Å; F175-N243 HydrophobicContact CZ-CB 3.57Å; F175-V270 HydrophobicContact CB-CG1 4.25Å; F175-V270 HydrophobicContact CD1-CG1 4.19Å; F175-V270 HydrophobicContact CG-CG1 4.4Å; F175-V272 HydrophobicContact CD1-CB 4.11Å; F175-V272 HydrophobicContact CD1-CG2 4.41Å; F175-V272 HydrophobicContact CE1-CB 3.95Å; F175-L274 HydrophobicContact CZ-CD1 4.12Å
176	K	92.9	Very high	89.8	Confident	10 Å²	10	55.6 Å²	55.6	4%	0.043	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	167.1	179.8	-58.5	-173.5	-177	175.1	0	110.1	P166 F167 D169 D172 T174 L237 L238 V239	P166-K176 CarbonylContact C-O 3.54Å; P166-K176 VanDerWaalsContact CA-O 3.31Å; P166-K176 WeakPolarHBondContact CA-O 3.19Å; F167-K176 HydrophobicContact CD1-CB 4.49Å; F167-K176 HydrophobicContact CE1-CB 3.97Å; F167-K176 HydrophobicContact CE2-CB 4.21Å; F167-K176 HydrophobicContact CZ-CB 3.83Å; F167-K176 HydrophobicContact CZ-CD 4.44Å; F167-K176 PolarHBondContact N-O 2.91Å; F167-K176 PolarHBondContact O-N 2.91Å; F167-K176 VanDerWaalsContact O-O 3.06Å; D169-K176 HydrophobicContact CB-CD 3.87Å; D169-K176 HydrophobicContact CB-CG 4.31Å; D169-K176 WeakPolarHBondContact OD2-CE 3.49Å; D169-K176 IonicContact OD2-NZ 2.8Å; D169-K176 PolarHBondContact OD2-NZ 3.1Å; D172-K176 IonicContact OD2-NZ 3.58Å; D172-K176 PolarHBondContact OD2-NZ 2.63Å; T174-K176 WeakPolarHBondContact OG1-CE 3.45Å; K176-L237 HydrophobicContact CB-CD1 3.93Å; K176-L237 HydrophobicContact CD-CD1 4.06Å; K176-L237 HydrophobicContact CD-CD2 3.8Å; K176-L237 HydrophobicContact CD-CG 4.05Å; K176-L238 CarbonylContact C-O 3.48Å; K176-L238 WeakPolarHBondContact CA-O 3.45Å; K176-L238 WeakPolarHBondContact CB-O 3.39Å; K176-V239 HydrophobicContact CD-CG1 4.04Å; K176-V239 HydrophobicContact CG-CG1 4.28Å
177	A	93.9	Very high	88.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.7	169.6	0	0	0	0	0	110.8	L164 V165 P166 L238 L241 F268	L164-A177 HydrophobicContact CD1-CB 4.01Å; V165-A177 CarbonylContact O-C 3.58Å; V165-A177 VanDerWaalsContact O-CA 3.29Å; V165-A177 WeakPolarHBondContact O-CA 3.33Å; P166-A177 HydrophobicContact CB-CB 4.48Å; P166-A177 HydrophobicContact CG-CB 4.49Å; A177-L238 HydrophobicContact CB-CB 4.25Å; A177-L238 HydrophobicContact CB-CD1 4.44Å; A177-L238 PolarHBondContact N-O 3.37Å; A177-L238 WeakPolarHBondContact O-CB 3.15Å; A177-L238 PolarHBondContact O-N 3.3Å; A177-L241 HydrophobicContact CB-CD1 3.71Å; A177-F268 HydrophobicContact CB-CE2 3.96Å
178	L	95.9	Very high	87.9	Confident	55 Å²	55	68 Å²	68	29%	0.288	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112.6	173.7	-174.9	64.6	0	0	0	108.9	L164 V165 F167 T180 E235	L164-L178 WeakPolarHBondContact CA-O 3.4Å; V165-L178 PolarHBondContact N-O 2.61Å; V165-L178 PolarHBondContact O-N 2.87Å; F167-L178 HydrophobicContact CE1-CB 4.09Å; L178-T180 HydrophobicContact CD2-CG2 4.31Å; L178-T180 HydrophobicContact CG-CG2 4.09Å; L178-E235 HydrophobicContact CD1-CB 4.3Å
179	L	96.6	Very high	86.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123	172.9	176.3	68.5	0	0	0	108.7	I161 L164 W181 V198 E235 A236 L238 V249	I161-L179 HydrophobicContact CD1-CD1 4.27Å; I161-L179 HydrophobicContact CG1-CD1 4.23Å; I161-L179 HydrophobicContact CG2-CD1 3.71Å; L164-L179 HydrophobicContact CB-CD1 4.22Å; L164-L179 HydrophobicContact CD1-CB 4.02Å; L164-L179 HydrophobicContact CD1-CD1 4.02Å; L164-L179 HydrophobicContact CG-CD1 4.49Å; L179-W181 HydrophobicContact CD2-CE3 4.09Å; L179-W181 HydrophobicContact CD2-CZ3 4.09Å; L179-W181 HydrophobicContact CG-CE3 3.94Å; L179-W181 HydrophobicContact CG-CZ3 4.17Å; L179-V198 HydrophobicContact CD2-CG1 3.63Å; L179-V198 HydrophobicContact CD2-CG2 4.26Å; L179-E235 CarbonylContact O-C 3.4Å; L179-E235 VanDerWaalsContact O-CA 3.28Å; L179-E235 WeakPolarHBondContact O-CA 3.45Å; L179-A236 HydrophobicContact CB-CB 4.43Å; L179-A236 PolarHBondContact N-O 3.09Å; L179-A236 PolarHBondContact O-N 3.27Å; L179-L238 HydrophobicContact CB-CD1 4.29Å; L179-L238 HydrophobicContact CB-CG 4.28Å; L179-V249 HydrophobicContact CD2-CG1 3.98Å
180	T	96.2	Very high	85.8	Confident	8 Å²	8	70.6 Å²	70.6	5%	0.049	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.8	171.6	75.6	0	0	0	0	110.6	K162 S163 L178 Y234 E235	K162-T180 PolarHBondContact N-O 3.03Å; S163-T180 PolarHBondContact N-O 3.24Å; S163-T180 VanDerWaalsContact N-O 3.15Å; S163-T180 PolarHBondContact N-OG1 2.87Å; S163-T180 PolarHBondContact O-N 2.93Å; S163-T180 PolarHBondContact OG-OG1 3.04Å; L178-T180 HydrophobicContact CD2-CG2 4.31Å; L178-T180 HydrophobicContact CG-CG2 4.09Å; T180-Y234 CarbonylContact C-O 3.56Å; T180-Y234 VanDerWaalsContact CA-O 3.3Å; T180-Y234 WeakPolarHBondContact CA-O 3.38Å; T180-E235 HydrophobicContact CG2-CB 4.38Å; T180-E235 HydrophobicContact CG2-CG 3.77Å
181	W	96	Very high	85.1	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.3	175.8	70.5	96.6	0	0	0	111.8	P159 E160 L179 F196 V198 I225 T233 Y234 A236 M251	P159-W181 HydrophobicContact CB-CG 4.39Å; E160-W181 CarbonylContact O-C 3.6Å; E160-W181 WeakPolarHBondContact O-CA 2.95Å; E160-W181 VanDerWaalsContact O-CB 3.22Å; E160-W181 WeakPolarHBondContact O-CB 3.47Å; L179-W181 HydrophobicContact CD2-CE3 4.09Å; L179-W181 HydrophobicContact CD2-CZ3 4.09Å; L179-W181 HydrophobicContact CG-CE3 3.94Å; L179-W181 HydrophobicContact CG-CZ3 4.17Å; W181-F196 HydrophobicContact CZ2-CB 4.04Å; W181-F196 AromaticContact CZ2-CD2 3.77Å; W181-F196 HydrophobicContact CZ2-CD2 3.77Å; W181-F196 HydrophobicContact CZ2-CE2 4.43Å; W181-F196 AromaticContact CZ2-CG 3.93Å; W181-F196 HydrophobicContact CZ2-CG 3.93Å; W181-F196 AromaticContact NE1-CD1 3.82Å; W181-F196 AromaticContact NE1-CD2 3.85Å; W181-F196 AromaticContact NE1-CE1 3.86Å; W181-F196 AromaticContact NE1-CE2 3.86Å; W181-F196 AromaticContact NE1-CG 3.83Å; W181-F196 AromaticContact NE1-CZ 3.88Å; W181-V198 HydrophobicContact CH2-CG2 4.47Å; W181-I225 HydrophobicContact CH2-CD1 3.56Å; W181-I225 HydrophobicContact CZ2-CD1 4.28Å; W181-T233 WeakPolarHBondContact O-CA 3.36Å; W181-Y234 HydrophobicContact CZ2-CD1 4.49Å; W181-Y234 AromaticContact CZ2-CG 3.99Å; W181-Y234 HydrophobicContact CZ2-CG 3.99Å; W181-Y234 PolarHBondContact N-O 3.05Å; W181-Y234 AromaticContact NE1-CD2 3.96Å; W181-Y234 AromaticContact NE1-CG 3.98Å; W181-Y234 PolarHBondContact O-N 2.87Å; W181-A236 HydrophobicContact CH2-CB 3.94Å; W181-A236 HydrophobicContact CZ3-CB 3.65Å; W181-M251 HydrophobicContact CB-CE 3.86Å; W181-M251 HydrophobicContact CD2-CE 4.16Å; W181-M251 HydrophobicContact CD2-SD 3.64Å; W181-M251 HydrophobicContact CE3-SD 4.1Å; W181-M251 HydrophobicContact CG-CE 3.79Å; W181-M251 HydrophobicContact CG-SD 3.86Å; W181-M251 HydrophobicContact CZ2-SD 4.38Å
182	N	94.8	Very high	84.6	Confident	57 Å²	57	66.1 Å²	66.1	31%	0.305	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	146.7	171.9	-65.6	-17	0	0	0	109.6	E160 Q232 T233	E160-N182 PolarHBondContact N-O 2.68Å; E160-N182 PolarHBondContact O-N 2.97Å; N182-Q232 CarbonylContact C-O 3.55Å; N182-Q232 VanDerWaalsContact CA-O 3.31Å; N182-Q232 WeakPolarHBondContact CA-O 3.49Å; N182-T233 PolarHBondContact OD1-OG1 3.23Å
183	F	92.5	Very high	84.5	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.009	31%	0.307	C	S	.	.			trans	-139.8	114.1	171.7	-178	-99.3	0	0	0	109.9	V156 A157 P159 W185 I194 F196 Q232 Y234	V156-F183 HydrophobicContact CG1-CE2 3.96Å; V156-F183 HydrophobicContact CG1-CZ 3.83Å; A157-F183 HydrophobicContact CB-CE2 3.87Å; A157-F183 HydrophobicContact CB-CZ 4.19Å; A157-F183 WeakPolarHBondContact O-CE2 3.45Å; P159-F183 HydrophobicContact CB-CD2 4.4Å; F183-W185 HydrophobicContact CD1-CE3 4.27Å; F183-W185 HydrophobicContact CE1-CD2 4.43Å; F183-W185 AromaticContact CE1-CE3 3.82Å; F183-W185 HydrophobicContact CE1-CE3 3.82Å; F183-W185 HydrophobicContact CE1-CZ3 4.26Å; F183-I194 HydrophobicContact CE1-CD1 3.83Å; F183-I194 HydrophobicContact CZ-CD1 3.69Å; F183-I194 HydrophobicContact CZ-CG2 4.32Å; F183-F196 HydrophobicContact CB-CE1 4.17Å; F183-F196 HydrophobicContact CB-CZ 3.68Å; F183-F196 HydrophobicContact CD1-CE1 4.41Å; F183-F196 AromaticContact CD1-CZ 3.8Å; F183-F196 HydrophobicContact CD1-CZ 3.8Å; F183-F196 AromaticContact CD2-CE1 3.56Å; F183-F196 HydrophobicContact CD2-CE1 3.56Å; F183-F196 AromaticContact CD2-CZ 3.75Å; F183-F196 HydrophobicContact CD2-CZ 3.75Å; F183-F196 HydrophobicContact CE1-CZ 4.37Å; F183-F196 AromaticContact CE2-CE1 3.98Å; F183-F196 HydrophobicContact CE2-CE1 3.98Å; F183-F196 HydrophobicContact CE2-CZ 4.31Å; F183-F196 AromaticContact CG-CE1 3.79Å; F183-F196 HydrophobicContact CG-CE1 3.79Å; F183-F196 AromaticContact CG-CZ 3.45Å; F183-F196 HydrophobicContact CG-CZ 3.45Å; F183-F196 VanDerWaalsContact CG-CZ 3.45Å; F183-Q232 PolarHBondContact N-O 2.79Å; F183-Q232 PolarHBondContact O-OE1 3.05Å; F183-Y234 HydrophobicContact CB-CD2 4.16Å; F183-Y234 HydrophobicContact CB-CE2 3.91Å
184	R	85.8	Confident	84.6	Confident	207 Å²	207	57.3 Å²	57.3	78%	0.781	28%	0.275	S	S	*	.			trans	-87.4	114.4	177.8	-167.9	176.8	-170.1	166.3	4.6	110	P186	R184-P186 WeakPolarHBondContact O-CD 3.17Å
185	W	83	Confident	84.6	Confident	32 Å²	32	57.7 Å²	57.7	12%	0.121	27%	0.274	C	S	.	.			trans	-63.3	123.4	178.3	-157.1	-83.2	0	0	0	111.5	F183 Q189 V192 I194 A227 Q229	F183-W185 HydrophobicContact CD1-CE3 4.27Å; F183-W185 HydrophobicContact CE1-CD2 4.43Å; F183-W185 AromaticContact CE1-CE3 3.82Å; F183-W185 HydrophobicContact CE1-CE3 3.82Å; F183-W185 HydrophobicContact CE1-CZ3 4.26Å; W185-Q189 PolarHBondContact NE1-O 2.76Å; W185-V192 WeakPolarHBondContact CH2-O 3.45Å; W185-V192 WeakPolarHBondContact CZ2-O 3.27Å; W185-I194 HydrophobicContact CE3-CD1 4.33Å; W185-I194 HydrophobicContact CH2-CB 4.15Å; W185-I194 HydrophobicContact CH2-CD1 3.6Å; W185-I194 HydrophobicContact CH2-CG1 3.85Å; W185-I194 HydrophobicContact CZ2-CD1 3.85Å; W185-I194 HydrophobicContact CZ2-CG1 4.32Å; W185-I194 HydrophobicContact CZ3-CB 4.37Å; W185-I194 HydrophobicContact CZ3-CD1 3.86Å; W185-I194 HydrophobicContact CZ3-CG1 4.36Å; W185-A227 HydrophobicContact CZ3-CB 3.88Å; W185-Q229 HydrophobicContact CD2-CG 3.99Å; W185-Q229 HydrophobicContact CE3-CG 4.14Å; W185-Q229 HydrophobicContact CH2-CG 3.8Å; W185-Q229 HydrophobicContact CZ2-CG 3.64Å; W185-Q229 HydrophobicContact CZ3-CG 4.04Å
186	P	74.2	Confident	84.7	Confident	25 Å²	25	56.4 Å²	56.4	16%	0.162	27%	0.268	C	S	.	.			trans	-68.4	134.9	179.6	-23.7	37.9	0	0	0	111.7	A157 R184 E188 Q189	A157-P186 HydrophobicContact CB-CG 3.99Å; R184-P186 WeakPolarHBondContact O-CD 3.17Å; P186-E188 VanDerWaalsContact C-N 3.29Å; P186-E188 PolarHBondContact O-N 3.14Å; P186-Q189 HydrophobicContact CB-CB 4.16Å; P186-Q189 HydrophobicContact CB-CG 4.08Å; P186-Q189 VanDerWaalsContact CG-OE1 3.26Å; P186-Q189 PolarHBondContact O-N 3.24Å; P186-Q189 VanDerWaalsContact O-N 3.15Å
187	K	75.1	Confident	84.6	Confident	178 Å²	178	56.8 Å²	56.8	77%	0.774	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-61.9	-35.2	-176.9	-69.1	-173.6	178.6	-176.7	0	113	Q189	K187-Q189 PolarHBondContact O-N 2.89Å
188	E	69.5	Low	84.6	Confident	178 Å²	178	56.9 Å²	56.9	83%	0.832	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-76.5	-5.5	-179.7	-58	110.3	-145.6	0	0	113.9	P186	P186-E188 VanDerWaalsContact C-N 3.29Å; P186-E188 PolarHBondContact O-N 3.14Å
189	Q	67.8	Low	84.3	Confident	18 Å²	18	58 Å²	58	8%	0.084	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-121.7	35.3	-169	-60	173.5	-3.5	0	0	112.1	W185 P186 K187 V192 L258	W185-Q189 PolarHBondContact NE1-O 2.76Å; P186-Q189 HydrophobicContact CB-CB 4.16Å; P186-Q189 HydrophobicContact CB-CG 4.08Å; P186-Q189 VanDerWaalsContact CG-OE1 3.26Å; P186-Q189 PolarHBondContact O-N 3.24Å; P186-Q189 VanDerWaalsContact O-N 3.15Å; K187-Q189 PolarHBondContact O-N 2.89Å; Q189-V192 HydrophobicContact CB-CG2 4.22Å; Q189-L258 HydrophobicContact CB-CD1 4.32Å; Q189-L258 HydrophobicContact CG-CD1 3.94Å; Q189-L258 HydrophobicContact CG-CD2 4.37Å
190	Q	67.3	Low	83.9	Confident	145 Å²	145	58.9 Å²	58.9	68%	0.678	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	138.2	171.9	-66.7	-172.5	-7.7	0	0	109.6
191	N	70.9	Confident	83.3	Confident	142 Å²	142	58.5 Å²	58.5	76%	0.759	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	20.4	-176.9	-57.5	-20.6	0	0	0	117.6	Q229	N191-Q229 VanDerWaalsContact CA-NE2 3.32Å
192	V	75.4	Confident	82.6	Confident	22 Å²	22	60.8 Å²	60.8	13%	0.133	29%	0.286	C	S	.	.			trans	-96.1	137.1	172.6	-177.1	0	0	0	0	110.8	W185 Q189 I194 S255 L258	W185-V192 WeakPolarHBondContact CH2-O 3.45Å; W185-V192 WeakPolarHBondContact CZ2-O 3.27Å; Q189-V192 HydrophobicContact CB-CG2 4.22Å; V192-I194 HydrophobicContact CG1-CG1 4.49Å; V192-S255 WeakPolarHBondContact CG1-OG 3.43Å; V192-L258 HydrophobicContact CG1-CD1 3.95Å; V192-L258 HydrophobicContact CG1-CG 4.36Å
193	S	81.9	Confident	81.7	Confident	50 Å²	50	59.5 Å²	59.5	35%	0.35	28%	0.278	S	S	.	.			trans	-77	131.7	169.7	57.9	0	0	0	0	110.4	S255	S193-S255 WeakPolarHBondContact O-CA 3.25Å; S193-S255 WeakPolarHBondContact O-CB 3.43Å; S193-S255 PolarHBondContact O-OG 3.31Å
194	I	86.5	Confident	80.6	Confident	3 Å²	3	62 Å²	62	2%	0.015	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.4	179.1	-62.4	176.6	0	0	0	109.2	V156 F183 W185 V192 F196 A227 A253 L254	V156-I194 HydrophobicContact CG1-CD1 3.96Å; V156-I194 HydrophobicContact CG1-CG1 4.38Å; V156-I194 HydrophobicContact CG1-CG2 3.99Å; F183-I194 HydrophobicContact CE1-CD1 3.83Å; F183-I194 HydrophobicContact CZ-CD1 3.69Å; F183-I194 HydrophobicContact CZ-CG2 4.32Å; W185-I194 HydrophobicContact CE3-CD1 4.33Å; W185-I194 HydrophobicContact CH2-CB 4.15Å; W185-I194 HydrophobicContact CH2-CD1 3.6Å; W185-I194 HydrophobicContact CH2-CG1 3.85Å; W185-I194 HydrophobicContact CZ2-CD1 3.85Å; W185-I194 HydrophobicContact CZ2-CG1 4.32Å; W185-I194 HydrophobicContact CZ3-CB 4.37Å; W185-I194 HydrophobicContact CZ3-CD1 3.86Å; W185-I194 HydrophobicContact CZ3-CG1 4.36Å; V192-I194 HydrophobicContact CG1-CG1 4.49Å; I194-F196 HydrophobicContact CG2-CE1 4.31Å; I194-F196 HydrophobicContact CG2-CZ 4.4Å; I194-A227 HydrophobicContact CB-CB 3.88Å; I194-A227 HydrophobicContact CG2-CB 4.05Å; I194-A227 WeakPolarHBondContact O-CB 3.46Å; I194-A227 PolarHBondContact O-N 3.4Å; I194-A253 HydrophobicContact CG2-CB 4.07Å; I194-L254 VanDerWaalsContact CA-O 3.29Å; I194-L254 WeakPolarHBondContact CA-O 3.37Å
195	E	90.3	Very high	79.4	Confident	53 Å²	53	62.2 Å²	62.2	25%	0.248	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.1	178.5	-74.8	169.6	-159.4	0	0	109.9	H197 I224 H226 A253 L254	E195-H197 IonicContact OE2-NE2 3.74Å; E195-I224 HydrophobicContact CB-CG2 4.08Å; E195-I224 HydrophobicContact CG-CG2 4.15Å; E195-H226 VanDerWaalsContact CG-ND1 3.34Å; E195-H226 WeakPolarHBondContact CG-ND1 3.49Å; E195-H226 IonicContact OE1-CE1 3.4Å; E195-H226 PolarHBondContact OE1-CE1 3.22Å; E195-H226 IonicContact OE1-ND1 2.85Å; E195-H226 PolarHBondContact OE1-ND1 2.75Å; E195-A253 CarbonylContact O-C 3.52Å; E195-A253 VanDerWaalsContact O-CA 3.26Å; E195-A253 WeakPolarHBondContact O-CA 3.37Å; E195-L254 PolarHBondContact N-O 2.99Å; E195-L254 PolarHBondContact O-N 3.35Å
196	F	92.4	Very high	77.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.5	170.3	-55.6	-67.1	0	0	0	109.4	P159 W181 F183 I194 I224 I225 A227 Y234 A253	P159-F196 HydrophobicContact CB-CD1 4.33Å; P159-F196 HydrophobicContact CB-CE1 4.19Å; P159-F196 HydrophobicContact CG-CD1 4.45Å; W181-F196 HydrophobicContact CZ2-CB 4.04Å; W181-F196 AromaticContact CZ2-CD2 3.77Å; W181-F196 HydrophobicContact CZ2-CD2 3.77Å; W181-F196 HydrophobicContact CZ2-CE2 4.43Å; W181-F196 AromaticContact CZ2-CG 3.93Å; W181-F196 HydrophobicContact CZ2-CG 3.93Å; W181-F196 AromaticContact NE1-CD1 3.82Å; W181-F196 AromaticContact NE1-CD2 3.85Å; W181-F196 AromaticContact NE1-CE1 3.86Å; W181-F196 AromaticContact NE1-CE2 3.86Å; W181-F196 AromaticContact NE1-CG 3.83Å; W181-F196 AromaticContact NE1-CZ 3.88Å; F183-F196 HydrophobicContact CB-CE1 4.17Å; F183-F196 HydrophobicContact CB-CZ 3.68Å; F183-F196 HydrophobicContact CD1-CE1 4.41Å; F183-F196 AromaticContact CD1-CZ 3.8Å; F183-F196 HydrophobicContact CD1-CZ 3.8Å; F183-F196 AromaticContact CD2-CE1 3.56Å; F183-F196 HydrophobicContact CD2-CE1 3.56Å; F183-F196 AromaticContact CD2-CZ 3.75Å; F183-F196 HydrophobicContact CD2-CZ 3.75Å; F183-F196 HydrophobicContact CE1-CZ 4.37Å; F183-F196 AromaticContact CE2-CE1 3.98Å; F183-F196 HydrophobicContact CE2-CE1 3.98Å; F183-F196 HydrophobicContact CE2-CZ 4.31Å; F183-F196 AromaticContact CG-CE1 3.79Å; F183-F196 HydrophobicContact CG-CE1 3.79Å; F183-F196 AromaticContact CG-CZ 3.45Å; F183-F196 HydrophobicContact CG-CZ 3.45Å; F183-F196 VanDerWaalsContact CG-CZ 3.45Å; I194-F196 HydrophobicContact CG2-CE1 4.31Å; I194-F196 HydrophobicContact CG2-CZ 4.4Å; F196-I224 CarbonylContact O-C 3.51Å; F196-I224 WeakPolarHBondContact O-CA 3.47Å; F196-I225 HydrophobicContact CB-CB 4.38Å; F196-I225 HydrophobicContact CD2-CB 4.49Å; F196-I225 HydrophobicContact CD2-CG2 4.32Å; F196-I225 PolarHBondContact N-O 3.09Å; F196-I225 PolarHBondContact O-N 2.97Å; F196-A227 HydrophobicContact CD2-CB 4.27Å; F196-A227 HydrophobicContact CE2-CB 3.47Å; F196-A227 VanDerWaalsContact CE2-CB 3.47Å; F196-A227 HydrophobicContact CZ-CB 3.86Å; F196-Y234 HydrophobicContact CD2-CD1 4.35Å; F196-Y234 AromaticContact CE2-CD1 3.95Å; F196-Y234 HydrophobicContact CE2-CD1 3.95Å; F196-Y234 AromaticContact CE2-CD2 3.97Å; F196-Y234 HydrophobicContact CE2-CD2 3.97Å; F196-Y234 AromaticContact CE2-CE1 3.81Å; F196-Y234 HydrophobicContact CE2-CE1 3.81Å; F196-Y234 AromaticContact CE2-CE2 3.87Å; F196-Y234 HydrophobicContact CE2-CE2 3.87Å; F196-Y234 HydrophobicContact CE2-CG 4.02Å; F196-Y234 AromaticContact CE2-CZ 3.78Å; F196-Y234 HydrophobicContact CZ-CD2 4.37Å; F196-Y234 HydrophobicContact CZ-CE2 4.17Å; F196-A253 HydrophobicContact CD1-CB 3.79Å; F196-A253 HydrophobicContact CE1-CB 3.93Å
197	H	91.3	Very high	76.8	Confident	17 Å²	17	70.2 Å²	70.2	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.6	171	-69.1	-105.1	0	0	0	108.4	E195 L223 M251 F252 L254	E195-H197 IonicContact OE2-NE2 3.74Å; H197-L223 WeakPolarHBondContact CA-O 3.45Å; H197-M251 WeakPolarHBondContact O-CA 3.36Å; H197-F252 HydrophobicContact CB-CD1 4.32Å; H197-F252 HydrophobicContact CB-CD2 4.08Å; H197-F252 HydrophobicContact CB-CE1 3.85Å; H197-F252 HydrophobicContact CB-CE2 3.58Å; H197-F252 HydrophobicContact CB-CG 4.44Å; H197-F252 HydrophobicContact CB-CZ 3.46Å; H197-F252 VanDerWaalsContact CB-CZ 3.46Å; H197-F252 AromaticContact CD2-CE2 3.95Å; H197-F252 AromaticContact CG-CE2 3.74Å; H197-F252 AromaticContact CG-CZ 3.89Å; H197-F252 PolarHBondContact N-O 2.94Å; H197-F252 PolarHBondContact O-N 3.43Å; H197-F252 VanDerWaalsContact O-N 3.11Å; H197-L254 VanDerWaalsContact NE2-CD1 3.34Å; H197-L254 WeakPolarHBondContact NE2-CD1 3.25Å
198	V	92.3	Very high	75.8	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128	176.5	-174.3	0	0	0	0	108.6	L179 W181 L223 L238 V249 M251	L179-V198 HydrophobicContact CD2-CG1 3.63Å; L179-V198 HydrophobicContact CD2-CG2 4.26Å; W181-V198 HydrophobicContact CH2-CG2 4.47Å; V198-L223 HydrophobicContact CB-CB 4.23Å; V198-L223 PolarHBondContact N-O 3.44Å; V198-L223 PolarHBondContact O-N 3.23Å; V198-L238 HydrophobicContact CG1-CD2 3.97Å; V198-V249 HydrophobicContact CG1-CG1 3.93Å; V198-M251 HydrophobicContact CG2-CG 4.05Å; V198-M251 HydrophobicContact CG2-SD 4.03Å
199	R	90.8	Very high	75	Confident	78 Å²	78	64 Å²	64	29%	0.294	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.5	179.9	-56.4	178.8	177.7	175.3	-3.8	110.3	L218 H222 V249 Q250	R199-L218 HydrophobicContact CB-CD2 3.42Å; R199-L218 VanDerWaalsContact CB-CD2 3.42Å; R199-L218 HydrophobicContact CG-CD2 4.23Å; R199-H222 HydrophobicContact CG-CB 3.89Å; R199-V249 WeakPolarHBondContact O-CA 3.3Å; R199-Q250 HydrophobicContact CB-CB 4.41Å; R199-Q250 PolarHBondContact N-O 3.05Å; R199-Q250 PolarHBondContact O-N 3.25Å
200	I	88.1	Confident	74.5	Confident	19 Å²	19	65.5 Å²	65.5	10%	0.097	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.8	177.8	-54	170.4	0	0	0	108.3	R219 L238 L241 Y247	I200-R219 WeakPolarHBondContact O-CB 3.43Å; I200-R219 PolarHBondContact O-N 3.31Å; I200-L238 HydrophobicContact CD1-CB 3.73Å; I200-L238 HydrophobicContact CD1-CD1 4.3Å; I200-L238 HydrophobicContact CD1-CD2 3.94Å; I200-L238 HydrophobicContact CD1-CG 4.18Å; I200-L238 HydrophobicContact CG1-CD1 4.36Å; I200-L238 HydrophobicContact CG1-CD2 4.17Å; I200-L241 HydrophobicContact CD1-CD2 4.39Å; I200-L241 HydrophobicContact CG2-CD2 4.47Å; I200-Y247 HydrophobicContact CG2-CD1 3.77Å; I200-Y247 HydrophobicContact CG2-CE1 4.48Å; I200-Y247 HydrophobicContact CG2-CG 4.5Å
201	A	83.8	Confident	73.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.4	172.6	0	0	0	0	0	111.4	F216 R217 L218 Y247 Q248	A201-F216 HydrophobicContact CB-CB 3.77Å; A201-R217 CarbonylContact C-O 3.51Å; A201-R217 WeakPolarHBondContact CA-O 3.45Å; A201-R217 WeakPolarHBondContact CB-O 3.47Å; A201-L218 HydrophobicContact CB-CD2 4.44Å; A201-L218 HydrophobicContact CB-CG 4.44Å; A201-Y247 WeakPolarHBondContact O-CA 3.36Å; A201-Q248 PolarHBondContact N-O 3.44Å; A201-Q248 PolarHBondContact O-N 3.47Å
202	D	80	Confident	72.9	Confident	48 Å²	48	66.8 Å²	66.8	26%	0.257	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	141	176.3	-55.5	-62.4	0	0	0	110.4	V204 F216 R217 R219 Y247	D202-V204 PolarHBondContact O-N 3.19Å; D202-F216 CarbonylContact O-C 3.36Å; D202-F216 VanDerWaalsContact O-CA 3.24Å; D202-F216 WeakPolarHBondContact O-CA 3.4Å; D202-R217 PolarHBondContact N-O 2.99Å; D202-R217 PolarHBondContact O-N 2.91Å; D202-R219 IonicContact OD1-CZ 3.08Å; D202-R219 VanDerWaalsContact OD1-CZ 3.24Å; D202-R219 IonicContact OD1-NE 2.72Å; D202-R219 PolarHBondContact OD1-NE 3.07Å; D202-R219 IonicContact OD1-NH2 3.72Å; D202-R219 PolarHBondContact OD1-NH2 3.06Å; D202-R219 WeakPolarHBondContact OD2-CG 3.29Å; D202-R219 IonicContact OD2-NE 2.68Å; D202-R219 PolarHBondContact OD2-NE 2.86Å; D202-Y247 WeakPolarHBondContact OD1-CE1 3.28Å
203	L	77.1	Confident	71.8	Confident	29 Å²	29	72.9 Å²	72.9	15%	0.152	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128	171.2	-178.5	66.3	0	0	0	111.3	R205 N214 F216 D246	L203-R205 HydrophobicContact CD2-CG 4.23Å; L203-R205 HydrophobicContact CG-CG 4.47Å; L203-N214 HydrophobicContact CD1-CB 3.46Å; L203-N214 VanDerWaalsContact CD1-CB 3.46Å; L203-F216 HydrophobicContact CB-CD1 4Å; L203-F216 HydrophobicContact CB-CE1 3.71Å; L203-F216 HydrophobicContact CB-CZ 4.48Å; L203-F216 HydrophobicContact CD1-CD1 4.2Å; L203-F216 HydrophobicContact CD1-CD2 4.48Å; L203-F216 HydrophobicContact CD1-CE1 3.86Å; L203-F216 HydrophobicContact CD1-CE2 4.18Å; L203-F216 HydrophobicContact CD1-CZ 3.85Å; L203-F216 HydrophobicContact CG-CE1 4.37Å; L203-D246 HydrophobicContact CB-CB 3.84Å; L203-D246 WeakPolarHBondContact CB-O 3.49Å; L203-D246 HydrophobicContact CD2-CB 3.67Å; L203-D246 WeakPolarHBondContact CD2-OD2 3.46Å; L203-D246 HydrophobicContact CG-CB 4.31Å; L203-D246 PolarHBondContact N-O 3.31Å
204	V	68.3	Low	71	Confident	55 Å²	55	74.3 Å²	74.3	33%	0.333	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	103.3	172.5	-175.2	0	0	0	0	109.2	D202 K206 V215 R217	D202-V204 PolarHBondContact O-N 3.19Å; V204-K206 HydrophobicContact CG1-CG 4.43Å; V204-K206 PolarHBondContact O-N 3.49Å; V204-V215 WeakPolarHBondContact CA-O 3.4Å; V204-V215 WeakPolarHBondContact CB-O 3.46Å; V204-V215 PolarHBondContact N-O 3.28Å; V204-R217 HydrophobicContact CG2-CB 3.62Å
205	R	61.7	Low	70.1	Confident	212 Å²	212	76.8 Å²	76.8	80%	0.8	38%	0.38	S	S	*	.			trans	-75.3	110.1	169.8	-65.7	-172.3	-173.4	-175.7	3.6	109.3	L203	L203-R205 HydrophobicContact CD2-CG 4.23Å; L203-R205 HydrophobicContact CG-CG 4.47Å
206	K	50.4	Low	69.1	Low	134 Å²	134	75.4 Å²	75.4	58%	0.583	37%	0.373	S	S	*	.			trans	-90.9	137.8	168.1	-77.6	-175.2	178.1	177.1	0	109.8	V204 N208 V209	V204-K206 HydrophobicContact CG1-CG 4.43Å; V204-K206 PolarHBondContact O-N 3.49Å; K206-N208 PolarHBondContact O-N 2.91Å; K206-V209 HydrophobicContact CB-CB 4.49Å; K206-V209 HydrophobicContact CB-CG2 3.74Å; K206-V209 PolarHBondContact O-N 3.04Å
207	A	52.6	Low	68.2	Low	90 Å²	90	84.1 Å²	84.1	74%	0.744	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	136.9	168.2	0	0	0	0	0	109.7	V209	A207-V209 PolarHBondContact O-N 3.21Å
208	N	54.7	Low	67.3	Low	169 Å²	169	85 Å²	85	90%	0.904	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	13.4	178.4	-50	-31.1	0	0	0	117.1	K206	K206-N208 PolarHBondContact O-N 2.91Å
209	V	51.9	Low	66.5	Low	56 Å²	56	87.1 Å²	87.1	34%	0.339	42%	0.419	S	S	.	.			trans	-100.6	128	169.4	-174.9	0	0	0	0	109.4	K206 A207 R213	K206-V209 HydrophobicContact CB-CB 4.49Å; K206-V209 HydrophobicContact CB-CG2 3.74Å; K206-V209 PolarHBondContact O-N 3.04Å; A207-V209 PolarHBondContact O-N 3.21Å; V209-R213 HydrophobicContact CG1-CB 3.72Å; V209-R213 WeakPolarHBondContact CG1-O 3.48Å
210	P	56.3	Low	65.2	Low	51 Å²	51	89.1 Å²	89.1	33%	0.331	44%	0.442	S	S	.	.			trans	-58.4	146.8	179.6	-24.4	32.9	0	0	0	113	W212 R213	P210-W212 HydrophobicContact CB-CD2 3.75Å; P210-W212 HydrophobicContact CB-CE3 4.05Å; P210-W212 HydrophobicContact CB-CG 4.44Å; P210-W212 HydrophobicContact CB-CH2 3.75Å; P210-W212 HydrophobicContact CB-CZ2 3.41Å; P210-W212 VanDerWaalsContact CB-CZ2 3.41Å; P210-W212 HydrophobicContact CB-CZ3 4.05Å; P210-W212 HydrophobicContact CG-CH2 4.45Å; P210-W212 HydrophobicContact CG-CZ2 3.9Å; P210-W212 PolarHBondContact O-N 3.42Å; P210-W212 VanDerWaalsContact O-N 3.07Å; P210-R213 PolarHBondContact O-N 2.96Å
211	P	51.6	Low	64.3	Low	106 Å²	106	92 Å²	92	69%	0.688	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.9	-175.6	-25	32.7	0	0	0	115.2	R213 N214	P211-R213 PolarHBondContact O-N 3.29Å; P211-N214 PolarHBondContact O-OD1 3.25Å; P211-N214 VanDerWaalsContact O-OD1 3.1Å
212	W	53	Low	64.1	Low	208 Å²	208	96.5 Å²	96.5	79%	0.788	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.6	177.9	58.3	82.7	0	0	0	114	P210	P210-W212 HydrophobicContact CB-CD2 3.75Å; P210-W212 HydrophobicContact CB-CE3 4.05Å; P210-W212 HydrophobicContact CB-CG 4.44Å; P210-W212 HydrophobicContact CB-CH2 3.75Å; P210-W212 HydrophobicContact CB-CZ2 3.41Å; P210-W212 VanDerWaalsContact CB-CZ2 3.41Å; P210-W212 HydrophobicContact CB-CZ3 4.05Å; P210-W212 HydrophobicContact CG-CH2 4.45Å; P210-W212 HydrophobicContact CG-CZ2 3.9Å; P210-W212 PolarHBondContact O-N 3.42Å; P210-W212 VanDerWaalsContact O-N 3.07Å
213	R	53.8	Low	64.4	Low	150 Å²	150	97.6 Å²	97.6	57%	0.566	50%	0.495	S	S	*	.	S	Bend	trans	-113.5	60.9	174	-83.7	-169.3	176.3	-172.7	0.9	110.8	V209 P210 P211 V215	V209-R213 HydrophobicContact CG1-CB 3.72Å; V209-R213 WeakPolarHBondContact CG1-O 3.48Å; P210-R213 PolarHBondContact O-N 2.96Å; P211-R213 PolarHBondContact O-N 3.29Å; R213-V215 PolarHBondContact O-N 3.11Å
214	N	64.9	Low	64.9	Low	79 Å²	79	99.5 Å²	99.5	42%	0.422	50%	0.504	S	S	.	.			trans	-60.2	127.9	174.7	-78	-18.8	0	0	0	111.3	L203 P211 F216	L203-N214 HydrophobicContact CD1-CB 3.46Å; L203-N214 VanDerWaalsContact CD1-CB 3.46Å; P211-N214 PolarHBondContact O-OD1 3.25Å; P211-N214 VanDerWaalsContact O-OD1 3.1Å; N214-F216 HydrophobicContact CB-CD2 4.39Å; N214-F216 HydrophobicContact CB-CE2 3.65Å; N214-F216 HydrophobicContact CB-CZ 4.08Å
215	V	66.2	Low	66	Low	55 Å²	55	98.6 Å²	98.6	33%	0.333	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.9	178.6	179.6	0	0	0	0	108.6	V204 R213	V204-V215 WeakPolarHBondContact CA-O 3.4Å; V204-V215 WeakPolarHBondContact CB-O 3.46Å; V204-V215 PolarHBondContact N-O 3.28Å; R213-V215 PolarHBondContact O-N 3.11Å
216	F	69.8	Low	67.4	Low	24 Å²	24	94.3 Å²	94.3	11%	0.105	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.3	-175.5	-67.2	-89.9	0	0	0	113.4	A201 D202 L203 N214 D246 Q248 K563	A201-F216 HydrophobicContact CB-CB 3.77Å; D202-F216 CarbonylContact O-C 3.36Å; D202-F216 VanDerWaalsContact O-CA 3.24Å; D202-F216 WeakPolarHBondContact O-CA 3.4Å; L203-F216 HydrophobicContact CB-CD1 4Å; L203-F216 HydrophobicContact CB-CE1 3.71Å; L203-F216 HydrophobicContact CB-CZ 4.48Å; L203-F216 HydrophobicContact CD1-CD1 4.2Å; L203-F216 HydrophobicContact CD1-CD2 4.48Å; L203-F216 HydrophobicContact CD1-CE1 3.86Å; L203-F216 HydrophobicContact CD1-CE2 4.18Å; L203-F216 HydrophobicContact CD1-CZ 3.85Å; L203-F216 HydrophobicContact CG-CE1 4.37Å; N214-F216 HydrophobicContact CB-CD2 4.39Å; N214-F216 HydrophobicContact CB-CE2 3.65Å; N214-F216 HydrophobicContact CB-CZ 4.08Å; F216-D246 HydrophobicContact CE1-CB 4.43Å; F216-Q248 HydrophobicContact CD1-CB 3.88Å; F216-Q248 HydrophobicContact CD2-CB 4.28Å; F216-Q248 HydrophobicContact CE1-CB 4.03Å; F216-Q248 HydrophobicContact CE2-CB 4.39Å; F216-Q248 HydrophobicContact CG-CB 4.02Å; F216-Q248 HydrophobicContact CZ-CB 4.28Å; F216-K563 PolarHBondContact O-NZ 3.02Å
217	R	74.1	Confident	69.2	Low	184 Å²	184	88.8 Å²	88.8	69%	0.694	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.1	175.8	-173.5	179.4	-128.4	179.3	0.7	110.4	A201 D202 V204	A201-R217 CarbonylContact C-O 3.51Å; A201-R217 WeakPolarHBondContact CA-O 3.45Å; A201-R217 WeakPolarHBondContact CB-O 3.47Å; D202-R217 PolarHBondContact N-O 2.99Å; D202-R217 PolarHBondContact O-N 2.91Å; V204-R217 HydrophobicContact CG2-CB 3.62Å
218	L	72.9	Confident	70.7	Confident	35 Å²	35	92.2 Å²	92.2	18%	0.183	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	139.6	-179.7	-101	169	0	0	0	109.6	R199 A201 K563	R199-L218 HydrophobicContact CB-CD2 3.42Å; R199-L218 VanDerWaalsContact CB-CD2 3.42Å; R199-L218 HydrophobicContact CG-CD2 4.23Å; A201-L218 HydrophobicContact CB-CD2 4.44Å; A201-L218 HydrophobicContact CB-CG 4.44Å; L218-K563 VanDerWaalsContact CB-CE 3.47Å; L218-K563 HydrophobicContact CD1-CD 4.43Å; L218-K563 VanDerWaalsContact CG-NZ 3.27Å
219	R	75.5	Confident	72	Confident	47 Å²	47	88.3 Å²	88.3	18%	0.177	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	152.8	169.9	-66	-174.8	176.2	-166.8	-3.1	111	I200 D202 D240 Y247	I200-R219 WeakPolarHBondContact O-CB 3.43Å; I200-R219 PolarHBondContact O-N 3.31Å; D202-R219 IonicContact OD1-CZ 3.08Å; D202-R219 VanDerWaalsContact OD1-CZ 3.24Å; D202-R219 IonicContact OD1-NE 2.72Å; D202-R219 PolarHBondContact OD1-NE 3.07Å; D202-R219 IonicContact OD1-NH2 3.72Å; D202-R219 PolarHBondContact OD1-NH2 3.06Å; D202-R219 WeakPolarHBondContact OD2-CG 3.29Å; D202-R219 IonicContact OD2-NE 2.68Å; D202-R219 PolarHBondContact OD2-NE 2.86Å; R219-D240 PolarHBondContact NH1-O 3.19Å; R219-D240 PolarHBondContact NH2-O 2.93Å; R219-Y247 PolarHBondContact NH2-OH 3.15Å
220	P	62.3	Low	73.5	Confident	120 Å²	120	92.3 Å²	92.3	78%	0.779	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	-37.8	176.2	-17	29.6	0	0	0	112.4	H222	P220-H222 PolarHBondContact O-N 3.27Å
221	A	69.7	Low	75	Confident	79 Å²	79	93.3 Å²	93.3	65%	0.653	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	124.3	178	0	0	0	0	0	110.2
222	H	79	Confident	76.8	Confident	95 Å²	95	92.7 Å²	92.7	44%	0.44	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.6	171.7	68.4	-125.6	0	0	0	108.7	R199 P220 I224	R199-H222 HydrophobicContact CG-CB 3.89Å; P220-H222 PolarHBondContact O-N 3.27Å; H222-I224 VanDerWaalsContact CD2-CG1 3.44Å; H222-I224 WeakPolarHBondContact CD2-CG1 3.5Å; H222-I224 WeakPolarHBondContact NE2-CD1 3.48Å
223	L	86.5	Confident	78.6	Confident	71 Å²	71	85.3 Å²	85.3	37%	0.372	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.1	173.5	-156.5	76.4	0	0	0	108.4	H197 V198 I225 A236	H197-L223 WeakPolarHBondContact CA-O 3.45Å; V198-L223 HydrophobicContact CB-CB 4.23Å; V198-L223 PolarHBondContact N-O 3.44Å; V198-L223 PolarHBondContact O-N 3.23Å; L223-I225 HydrophobicContact CD2-CD1 3.56Å; L223-I225 HydrophobicContact CD2-CG1 4.06Å; L223-I225 HydrophobicContact CG-CD1 4.27Å; L223-I225 HydrophobicContact CG-CG1 4.24Å; L223-A236 HydrophobicContact CD2-CB 3.6Å
224	I	88.3	Confident	80.6	Confident	69 Å²	69	78.3 Å²	78.3	35%	0.354	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.9	170.9	-50.9	-175.1	0	0	0	107.8	E195 F196 H222	E195-I224 HydrophobicContact CB-CG2 4.08Å; E195-I224 HydrophobicContact CG-CG2 4.15Å; F196-I224 CarbonylContact O-C 3.51Å; F196-I224 WeakPolarHBondContact O-CA 3.47Å; H222-I224 VanDerWaalsContact CD2-CG1 3.44Å; H222-I224 WeakPolarHBondContact CD2-CG1 3.5Å; H222-I224 WeakPolarHBondContact NE2-CD1 3.48Å
225	I	90.7	Very high	82.1	Confident	36 Å²	36	80.4 Å²	80.4	19%	0.185	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119	177.5	-65.8	171.3	0	0	0	108.7	W181 F196 L223 Y234 A236	W181-I225 HydrophobicContact CH2-CD1 3.56Å; W181-I225 HydrophobicContact CZ2-CD1 4.28Å; F196-I225 HydrophobicContact CB-CB 4.38Å; F196-I225 HydrophobicContact CD2-CB 4.49Å; F196-I225 HydrophobicContact CD2-CG2 4.32Å; F196-I225 PolarHBondContact N-O 3.09Å; F196-I225 PolarHBondContact O-N 2.97Å; L223-I225 HydrophobicContact CD2-CD1 3.56Å; L223-I225 HydrophobicContact CD2-CG1 4.06Å; L223-I225 HydrophobicContact CG-CD1 4.27Å; L223-I225 HydrophobicContact CG-CG1 4.24Å; I225-Y234 HydrophobicContact CG2-CD1 4.27Å; I225-A236 HydrophobicContact CD1-CB 3.72Å
226	H	90.4	Very high	83.4	Confident	123 Å²	123	78 Å²	78	57%	0.569	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	125.3	175.4	-63.8	-83.8	0	0	0	110.2	E195	E195-H226 VanDerWaalsContact CG-ND1 3.34Å; E195-H226 WeakPolarHBondContact CG-ND1 3.49Å; E195-H226 IonicContact OE1-CE1 3.4Å; E195-H226 PolarHBondContact OE1-CE1 3.22Å; E195-H226 IonicContact OE1-ND1 2.85Å; E195-H226 PolarHBondContact OE1-ND1 2.75Å
227	A	88.4	Confident	84.5	Confident	17 Å²	17	80.4 Å²	80.4	14%	0.14	40%	0.401	C	S	.	.			trans	-72.9	144	177.3	0	0	0	0	0	111	W185 I194 F196 Y234	W185-A227 HydrophobicContact CZ3-CB 3.88Å; I194-A227 HydrophobicContact CB-CB 3.88Å; I194-A227 HydrophobicContact CG2-CB 4.05Å; I194-A227 WeakPolarHBondContact O-CB 3.46Å; I194-A227 PolarHBondContact O-N 3.4Å; F196-A227 HydrophobicContact CD2-CB 4.27Å; F196-A227 HydrophobicContact CE2-CB 3.47Å; F196-A227 VanDerWaalsContact CE2-CB 3.47Å; F196-A227 HydrophobicContact CZ-CB 3.86Å; A227-Y234 WeakPolarHBondContact CA-OH 3.41Å; A227-Y234 HydrophobicContact CB-CE1 4.36Å
228	R	85.4	Confident	85.3	Confident	162 Å²	162	72 Å²	72	61%	0.611	37%	0.37	S	S	*	.			trans	-114.5	138.4	173.1	-57.3	-177.6	177.8	178	0.1	109.6	D230 Q231 Y234	R228-D230 VanDerWaalsContact C-N 3.27Å; R228-D230 WeakPolarHBondContact CB-OD1 3.24Å; R228-D230 PolarHBondContact O-N 3.11Å; R228-Q231 HydrophobicContact CB-CB 4.2Å; R228-Q231 PolarHBondContact O-N 3.23Å; R228-Q231 VanDerWaalsContact O-N 3.12Å; R228-Y234 PolarHBondContact N-OH 3.1Å; R228-Y234 PolarHBondContact O-OH 3.48Å
229	Q	80.9	Confident	86.1	Confident	87 Å²	87	73.2 Å²	73.2	41%	0.407	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.1	-172.6	-72.5	-180	0.2	0	0	113.7	W185 N191 Q231	W185-Q229 HydrophobicContact CD2-CG 3.99Å; W185-Q229 HydrophobicContact CE3-CG 4.14Å; W185-Q229 HydrophobicContact CH2-CG 3.8Å; W185-Q229 HydrophobicContact CZ2-CG 3.64Å; W185-Q229 HydrophobicContact CZ3-CG 4.04Å; N191-Q229 VanDerWaalsContact CA-NE2 3.32Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å
230	D	83.7	Confident	86.6	Confident	141 Å²	141	76.3 Å²	76.3	75%	0.754	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-11	176.9	59.3	-36.8	0	0	0	113.3	R228	R228-D230 VanDerWaalsContact C-N 3.27Å; R228-D230 WeakPolarHBondContact CB-OD1 3.24Å; R228-D230 PolarHBondContact O-N 3.11Å
231	Q	88.5	Confident	87.9	Confident	71 Å²	71	71 Å²	71	33%	0.332	36%	0.364	S	S	.	.			trans	-107.4	125.5	-175	-172.5	170.4	-4	0	0	112.2	R228 Q229 T233 Y234	R228-Q231 HydrophobicContact CB-CB 4.2Å; R228-Q231 PolarHBondContact O-N 3.23Å; R228-Q231 VanDerWaalsContact O-N 3.12Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q231-T233 WeakPolarHBondContact CG-O 3.27Å; Q231-T233 PolarHBondContact NE2-O 3.38Å; Q231-Y234 HydrophobicContact CB-CE1 4.35Å; Q231-Y234 HydrophobicContact CG-CD1 4.44Å; Q231-Y234 HydrophobicContact CG-CE1 4.07Å; Q231-Y234 HydrophobicContact CG-CE2 4.25Å; Q231-Y234 WeakPolarHBondContact O-CE2 3.45Å; Q231-Y234 PolarHBondContact O-OH 3.1Å; Q231-Y234 VanDerWaalsContact O-OH 3.06Å
232	Q	87.8	Confident	88.7	Confident	93 Å²	93	74 Å²	74	44%	0.435	36%	0.362	S	S	.	.			trans	-102	-25.2	179	-63.6	-69.1	-43.6	0	0	113.4	N182 F183	N182-Q232 CarbonylContact C-O 3.55Å; N182-Q232 VanDerWaalsContact CA-O 3.31Å; N182-Q232 WeakPolarHBondContact CA-O 3.49Å; F183-Q232 PolarHBondContact N-O 2.79Å; F183-Q232 PolarHBondContact O-OE1 3.05Å
233	T	92.7	Very high	89.1	Confident	53 Å²	53	71.6 Å²	71.6	33%	0.325	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.5	-178.3	-52	0	0	0	0	109	W181 N182 Q231	W181-T233 WeakPolarHBondContact O-CA 3.36Å; N182-T233 PolarHBondContact OD1-OG1 3.23Å; Q231-T233 WeakPolarHBondContact CG-O 3.27Å; Q231-T233 PolarHBondContact NE2-O 3.38Å
234	Y	95.5	Very high	89.1	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.016	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.3	-177.6	-65.5	-94.7	0	0	0	109.8	T180 W181 F183 F196 I225 A227 R228 Q231	T180-Y234 CarbonylContact C-O 3.56Å; T180-Y234 VanDerWaalsContact CA-O 3.3Å; T180-Y234 WeakPolarHBondContact CA-O 3.38Å; W181-Y234 HydrophobicContact CZ2-CD1 4.49Å; W181-Y234 AromaticContact CZ2-CG 3.99Å; W181-Y234 HydrophobicContact CZ2-CG 3.99Å; W181-Y234 PolarHBondContact N-O 3.05Å; W181-Y234 AromaticContact NE1-CD2 3.96Å; W181-Y234 AromaticContact NE1-CG 3.98Å; W181-Y234 PolarHBondContact O-N 2.87Å; F183-Y234 HydrophobicContact CB-CD2 4.16Å; F183-Y234 HydrophobicContact CB-CE2 3.91Å; F196-Y234 HydrophobicContact CD2-CD1 4.35Å; F196-Y234 AromaticContact CE2-CD1 3.95Å; F196-Y234 HydrophobicContact CE2-CD1 3.95Å; F196-Y234 AromaticContact CE2-CD2 3.97Å; F196-Y234 HydrophobicContact CE2-CD2 3.97Å; F196-Y234 AromaticContact CE2-CE1 3.81Å; F196-Y234 HydrophobicContact CE2-CE1 3.81Å; F196-Y234 AromaticContact CE2-CE2 3.87Å; F196-Y234 HydrophobicContact CE2-CE2 3.87Å; F196-Y234 HydrophobicContact CE2-CG 4.02Å; F196-Y234 AromaticContact CE2-CZ 3.78Å; F196-Y234 HydrophobicContact CZ-CD2 4.37Å; F196-Y234 HydrophobicContact CZ-CE2 4.17Å; I225-Y234 HydrophobicContact CG2-CD1 4.27Å; A227-Y234 WeakPolarHBondContact CA-OH 3.41Å; A227-Y234 HydrophobicContact CB-CE1 4.36Å; R228-Y234 PolarHBondContact N-OH 3.1Å; R228-Y234 PolarHBondContact O-OH 3.48Å; Q231-Y234 HydrophobicContact CB-CE1 4.35Å; Q231-Y234 HydrophobicContact CG-CD1 4.44Å; Q231-Y234 HydrophobicContact CG-CE1 4.07Å; Q231-Y234 HydrophobicContact CG-CE2 4.25Å; Q231-Y234 WeakPolarHBondContact O-CE2 3.45Å; Q231-Y234 PolarHBondContact O-OH 3.1Å; Q231-Y234 VanDerWaalsContact O-OH 3.06Å
235	E	94.9	Very high	89	Confident	123 Å²	123	72.3 Å²	72.3	58%	0.575	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.1	-179.5	-52.3	-167.5	162.2	0	0	109.9	L178 L179 T180	L178-E235 HydrophobicContact CD1-CB 4.3Å; L179-E235 CarbonylContact O-C 3.4Å; L179-E235 VanDerWaalsContact O-CA 3.28Å; L179-E235 WeakPolarHBondContact O-CA 3.45Å; T180-E235 HydrophobicContact CG2-CB 4.38Å; T180-E235 HydrophobicContact CG2-CG 3.77Å
236	A	93.7	Very high	89	Confident	5 Å²	5	72.8 Å²	72.8	4%	0.041	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.6	176.1	0	0	0	0	0	109.6	L179 W181 L223 I225	L179-A236 HydrophobicContact CB-CB 4.43Å; L179-A236 PolarHBondContact N-O 3.09Å; L179-A236 PolarHBondContact O-N 3.27Å; W181-A236 HydrophobicContact CH2-CB 3.94Å; W181-A236 HydrophobicContact CZ3-CB 3.65Å; L223-A236 HydrophobicContact CD2-CB 3.6Å; I225-A236 HydrophobicContact CD1-CB 3.72Å
237	L	92.6	Very high	89	Confident	74 Å²	74	67 Å²	67	39%	0.387	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.9	174.9	-171.1	63.5	0	0	0	109.6	F167 K176 V239	F167-L237 HydrophobicContact CE1-CD1 3.67Å; F167-L237 HydrophobicContact CZ-CD1 3.51Å; K176-L237 HydrophobicContact CB-CD1 3.93Å; K176-L237 HydrophobicContact CD-CD1 4.06Å; K176-L237 HydrophobicContact CD-CD2 3.8Å; K176-L237 HydrophobicContact CD-CG 4.05Å; L237-V239 HydrophobicContact CD2-CG1 4.32Å; L237-V239 HydrophobicContact CG-CG1 4.11Å
238	L	92.4	Very high	89.1	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.9	174.7	-52.6	-175.8	0	0	0	108.5	L164 K176 A177 L179 V198 I200 L241 V249 F268	L164-L238 HydrophobicContact CD1-CD1 3.8Å; K176-L238 CarbonylContact C-O 3.48Å; K176-L238 WeakPolarHBondContact CA-O 3.45Å; K176-L238 WeakPolarHBondContact CB-O 3.39Å; A177-L238 HydrophobicContact CB-CB 4.25Å; A177-L238 HydrophobicContact CB-CD1 4.44Å; A177-L238 PolarHBondContact N-O 3.37Å; A177-L238 WeakPolarHBondContact O-CB 3.15Å; A177-L238 PolarHBondContact O-N 3.3Å; L179-L238 HydrophobicContact CB-CD1 4.29Å; L179-L238 HydrophobicContact CB-CG 4.28Å; V198-L238 HydrophobicContact CG1-CD2 3.97Å; I200-L238 HydrophobicContact CD1-CB 3.73Å; I200-L238 HydrophobicContact CD1-CD1 4.3Å; I200-L238 HydrophobicContact CD1-CD2 3.94Å; I200-L238 HydrophobicContact CD1-CG 4.18Å; I200-L238 HydrophobicContact CG1-CD1 4.36Å; I200-L238 HydrophobicContact CG1-CD2 4.17Å; L238-L241 HydrophobicContact CB-CD1 4.49Å; L238-V249 HydrophobicContact CD1-CG2 3.49Å; L238-V249 VanDerWaalsContact CD1-CG2 3.49Å; L238-F268 HydrophobicContact CD1-CZ 4.33Å
239	V	89.6	Confident	89.4	Confident	61 Å²	61	59.7 Å²	59.7	37%	0.37	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	177.1	-173.1	-59.9	0	0	0	0	111.9	K176 L237 L241	K176-V239 HydrophobicContact CD-CG1 4.04Å; K176-V239 HydrophobicContact CG-CG1 4.28Å; L237-V239 HydrophobicContact CD2-CG1 4.32Å; L237-V239 HydrophobicContact CG-CG1 4.11Å; V239-L241 VanDerWaalsContact C-N 3.29Å; V239-L241 PolarHBondContact O-N 3.06Å
240	D	85	Confident	89.9	Confident	112 Å²	112	56.4 Å²	56.4	60%	0.599	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.1	38.1	179.1	-55	-31.3	0	0	0	113.8	R219	R219-D240 PolarHBondContact NH1-O 3.19Å; R219-D240 PolarHBondContact NH2-O 2.93Å
241	L	89.3	Confident	90.3	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.052	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	158.2	176.9	-52.6	179.6	0	0	0	110.5	F175 A177 I200 L238 V239 Y247 F268 V270	F175-L241 HydrophobicContact CB-CB 4.14Å; F175-L241 WeakPolarHBondContact O-CB 3.28Å; F175-L241 PolarHBondContact O-N 3.45Å; A177-L241 HydrophobicContact CB-CD1 3.71Å; I200-L241 HydrophobicContact CD1-CD2 4.39Å; I200-L241 HydrophobicContact CG2-CD2 4.47Å; L238-L241 HydrophobicContact CB-CD1 4.49Å; V239-L241 VanDerWaalsContact C-N 3.29Å; V239-L241 PolarHBondContact O-N 3.06Å; L241-Y247 HydrophobicContact CB-CE2 4.25Å; L241-Y247 HydrophobicContact CD2-CD1 4.15Å; L241-Y247 HydrophobicContact CD2-CD2 4.34Å; L241-Y247 HydrophobicContact CD2-CE1 3.93Å; L241-Y247 HydrophobicContact CD2-CE2 4.13Å; L241-Y247 HydrophobicContact CD2-CG 4.35Å; L241-F268 HydrophobicContact CD1-CE2 4Å; L241-F268 HydrophobicContact CD1-CZ 4.16Å; L241-F268 HydrophobicContact CD2-CZ 4.44Å; L241-V270 HydrophobicContact CB-CG2 4.31Å; L241-V270 HydrophobicContact CD1-CG2 4.09Å
242	K	87.1	Confident	90.4	Very high	142 Å²	142	46.7 Å²	46.7	62%	0.617	24%	0.236	S	C	*	.			trans	-116.3	143.3	175.1	-64.1	-177.9	-179.5	-177.8	0	109.2	Y247 V270	K242-Y247 PolarHBondContact N-OH 3.37Å; K242-V270 WeakPolarHBondContact O-CB 3.27Å
243	N	87.8	Confident	90.5	Very high	44 Å²	44	42.3 Å²	42.3	24%	0.235	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	155.7	171.7	-151.9	5.3	0	0	0	110.5	F175 T245 V270 V272	F175-N243 HydrophobicContact CD1-CB 4.34Å; F175-N243 HydrophobicContact CD2-CB 4.19Å; F175-N243 HydrophobicContact CE1-CB 3.88Å; F175-N243 HydrophobicContact CE2-CB 3.72Å; F175-N243 HydrophobicContact CG-CB 4.49Å; F175-N243 HydrophobicContact CZ-CB 3.57Å; N243-T245 PolarHBondContact O-N 3.45Å; N243-T245 PolarHBondContact O-OG1 3.37Å; N243-T245 VanDerWaalsContact O-OG1 3.1Å; N243-V270 PolarHBondContact OD1-O 3.33Å; N243-V270 VanDerWaalsContact OD1-O 3.13Å; N243-V272 PolarHBondContact ND2-O 2.98Å; N243-V272 VanDerWaalsContact ND2-O 3.13Å; N243-V272 PolarHBondContact OD1-N 3.12Å
244	Q	86.9	Confident	89.9	Confident	113 Å²	113	42.5 Å²	42.5	53%	0.528	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	34.3	177.1	-57.6	-64.7	-43.3	0	0	113.7	F269 V270 D271	Q244-F269 VanDerWaalsContact C-CE2 3.43Å; Q244-F269 HydrophobicContact CB-CZ 4.4Å; Q244-V270 WeakPolarHBondContact CA-O 3.5Å; Q244-V270 PolarHBondContact N-O 3.35Å; Q244-D271 PolarHBondContact NE2-OD1 2.67Å
245	T	86.4	Confident	89.2	Confident	42 Å²	42	43.4 Å²	43.4	26%	0.258	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.1	-177.1	-54.6	0	0	0	0	110.9	N243 Y247 V270	N243-T245 PolarHBondContact O-N 3.45Å; N243-T245 PolarHBondContact O-OG1 3.37Å; N243-T245 VanDerWaalsContact O-OG1 3.1Å; T245-Y247 HydrophobicContact CG2-CD2 4.34Å; T245-Y247 HydrophobicContact CG2-CE1 4.41Å; T245-Y247 HydrophobicContact CG2-CE2 3.69Å; T245-Y247 VanDerWaalsContact O-CD2 3.32Å; T245-Y247 WeakPolarHBondContact O-CD2 3.49Å; T245-V270 PolarHBondContact O-N 2.91Å
246	D	89.3	Confident	87.9	Confident	46 Å²	46	44.5 Å²	44.5	25%	0.246	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.1	174.4	-71.5	-61.7	0	0	0	111.4	L203 F216 F269	L203-D246 HydrophobicContact CB-CB 3.84Å; L203-D246 WeakPolarHBondContact CB-O 3.49Å; L203-D246 HydrophobicContact CD2-CB 3.67Å; L203-D246 WeakPolarHBondContact CD2-OD2 3.46Å; L203-D246 HydrophobicContact CG-CB 4.31Å; L203-D246 PolarHBondContact N-O 3.31Å; F216-D246 HydrophobicContact CE1-CB 4.43Å; D246-F269 WeakPolarHBondContact OD1-CD2 3.06Å
247	Y	90.6	Very high	86.6	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157	178.9	-68.8	-82.8	0	0	0	111.1	I200 A201 D202 R219 L241 K242 T245 D267 F268 V270	I200-Y247 HydrophobicContact CG2-CD1 3.77Å; I200-Y247 HydrophobicContact CG2-CE1 4.48Å; I200-Y247 HydrophobicContact CG2-CG 4.5Å; A201-Y247 WeakPolarHBondContact O-CA 3.36Å; D202-Y247 WeakPolarHBondContact OD1-CE1 3.28Å; R219-Y247 PolarHBondContact NH2-OH 3.15Å; L241-Y247 HydrophobicContact CB-CE2 4.25Å; L241-Y247 HydrophobicContact CD2-CD1 4.15Å; L241-Y247 HydrophobicContact CD2-CD2 4.34Å; L241-Y247 HydrophobicContact CD2-CE1 3.93Å; L241-Y247 HydrophobicContact CD2-CE2 4.13Å; L241-Y247 HydrophobicContact CD2-CG 4.35Å; K242-Y247 PolarHBondContact N-OH 3.37Å; T245-Y247 HydrophobicContact CG2-CD2 4.34Å; T245-Y247 HydrophobicContact CG2-CE1 4.41Å; T245-Y247 HydrophobicContact CG2-CE2 3.69Å; T245-Y247 VanDerWaalsContact O-CD2 3.32Å; T245-Y247 WeakPolarHBondContact O-CD2 3.49Å; Y247-D267 WeakPolarHBondContact O-CA 3.25Å; Y247-F268 VanDerWaalsContact CB-CZ 3.43Å; Y247-F268 HydrophobicContact CD2-CE2 4.35Å; Y247-F268 HydrophobicContact CD2-CZ 4.23Å; Y247-F268 HydrophobicContact CG-CE1 4.21Å; Y247-F268 AromaticContact CG-CZ 3.97Å; Y247-F268 HydrophobicContact CG-CZ 3.97Å; Y247-F268 PolarHBondContact N-O 3.46Å; Y247-F268 PolarHBondContact O-N 2.75Å; Y247-V270 HydrophobicContact CD2-CG2 3.78Å; Y247-V270 HydrophobicContact CE2-CG2 3.87Å
248	Q	91.4	Very high	85.7	Confident	25 Å²	25	48.1 Å²	48.1	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.8	169.1	179	177.5	88.8	0	0	109.7	A201 F216 Q250 D267	A201-Q248 PolarHBondContact N-O 3.44Å; A201-Q248 PolarHBondContact O-N 3.47Å; F216-Q248 HydrophobicContact CD1-CB 3.88Å; F216-Q248 HydrophobicContact CD2-CB 4.28Å; F216-Q248 HydrophobicContact CE1-CB 4.03Å; F216-Q248 HydrophobicContact CE2-CB 4.39Å; F216-Q248 HydrophobicContact CG-CB 4.02Å; F216-Q248 HydrophobicContact CZ-CB 4.28Å; Q248-Q250 HydrophobicContact CG-CG 4.34Å; Q248-D267 WeakPolarHBondContact CB-OD1 3.29Å; Q248-D267 VanDerWaalsContact CG-OD1 3.24Å; Q248-D267 WeakPolarHBondContact CG-OD1 3.49Å; Q248-D267 PolarHBondContact NE2-OD1 3.25Å
249	V	92.4	Very high	84.9	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.9	167.6	178.1	0	0	0	0	108.9	L164 L179 V198 R199 L238 L265 R266 F268	L164-V249 HydrophobicContact CD1-CG2 4.34Å; L164-V249 HydrophobicContact CD2-CB 4.34Å; L164-V249 HydrophobicContact CD2-CG2 3.63Å; L179-V249 HydrophobicContact CD2-CG1 3.98Å; V198-V249 HydrophobicContact CG1-CG1 3.93Å; R199-V249 WeakPolarHBondContact O-CA 3.3Å; L238-V249 HydrophobicContact CD1-CG2 3.49Å; L238-V249 VanDerWaalsContact CD1-CG2 3.49Å; V249-L265 WeakPolarHBondContact O-CA 3.49Å; V249-R266 PolarHBondContact N-O 2.94Å; V249-R266 PolarHBondContact O-N 2.81Å; V249-F268 HydrophobicContact CG2-CD1 3.93Å; V249-F268 HydrophobicContact CG2-CE1 3.49Å; V249-F268 VanDerWaalsContact CG2-CE1 3.49Å; V249-F268 HydrophobicContact CG2-CZ 4.36Å
250	Q	91	Very high	84.5	Confident	18 Å²	18	49.4 Å²	49.4	8%	0.084	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.7	172	-46.4	-165.4	-34.3	0	0	108.8	R199 Q248 V264 L265	R199-Q250 HydrophobicContact CB-CB 4.41Å; R199-Q250 PolarHBondContact N-O 3.05Å; R199-Q250 PolarHBondContact O-N 3.25Å; Q248-Q250 HydrophobicContact CG-CG 4.34Å; Q250-V264 WeakPolarHBondContact CA-O 3.49Å; Q250-L265 HydrophobicContact CB-CD2 3.84Å; Q250-L265 HydrophobicContact CG-CD2 3.48Å; Q250-L265 VanDerWaalsContact CG-CD2 3.48Å
251	M	92.2	Very high	84.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.1	-178.2	-179	173.5	56.6	0	0	111.9	P159 I161 W181 H197 V198 V264	P159-M251 HydrophobicContact CB-CE 3.76Å; P159-M251 HydrophobicContact CB-SD 4.19Å; P159-M251 HydrophobicContact CG-CE 3.86Å; P159-M251 HydrophobicContact CG-CG 4Å; P159-M251 HydrophobicContact CG-SD 4.18Å; I161-M251 HydrophobicContact CD1-CE 4.09Å; I161-M251 HydrophobicContact CG1-CE 3.4Å; W181-M251 HydrophobicContact CB-CE 3.86Å; W181-M251 HydrophobicContact CD2-CE 4.16Å; W181-M251 HydrophobicContact CD2-SD 3.64Å; W181-M251 HydrophobicContact CE3-SD 4.1Å; W181-M251 HydrophobicContact CG-CE 3.79Å; W181-M251 HydrophobicContact CG-SD 3.86Å; W181-M251 HydrophobicContact CZ2-SD 4.38Å; H197-M251 WeakPolarHBondContact O-CA 3.36Å; V198-M251 HydrophobicContact CG2-CG 4.05Å; V198-M251 HydrophobicContact CG2-SD 4.03Å; M251-V264 HydrophobicContact CB-CB 4.43Å; M251-V264 PolarHBondContact N-O 3.19Å; M251-V264 PolarHBondContact O-N 3.21Å
252	F	90	Very high	84.2	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.4	172.4	58.7	-89.1	0	0	0	110.6	H197 L254 R260	H197-F252 HydrophobicContact CB-CD1 4.32Å; H197-F252 HydrophobicContact CB-CD2 4.08Å; H197-F252 HydrophobicContact CB-CE1 3.85Å; H197-F252 HydrophobicContact CB-CE2 3.58Å; H197-F252 HydrophobicContact CB-CG 4.44Å; H197-F252 HydrophobicContact CB-CZ 3.46Å; H197-F252 VanDerWaalsContact CB-CZ 3.46Å; H197-F252 AromaticContact CD2-CE2 3.95Å; H197-F252 AromaticContact CG-CE2 3.74Å; H197-F252 AromaticContact CG-CZ 3.89Å; H197-F252 PolarHBondContact N-O 2.94Å; H197-F252 PolarHBondContact O-N 3.43Å; H197-F252 VanDerWaalsContact O-N 3.11Å; F252-L254 HydrophobicContact CD2-CD2 3.87Å; F252-L254 HydrophobicContact CD2-CG 4Å; F252-L254 HydrophobicContact CE2-CD1 4.06Å; F252-L254 HydrophobicContact CE2-CD2 3.86Å; F252-L254 HydrophobicContact CE2-CG 3.8Å; F252-R260 HydrophobicContact CB-CG 4.4Å; F252-R260 HydrophobicContact CD2-CG 3.93Å; F252-R260 HydrophobicContact CG-CG 4.43Å; F252-R260 VanDerWaalsContact CG-NE 3.26Å
253	A	89	Confident	84.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138	176.9	0	0	0	0	0	111	V156 I194 E195 F196 S261	V156-A253 HydrophobicContact CB-CB 4.24Å; V156-A253 HydrophobicContact CG1-CB 3.57Å; I194-A253 HydrophobicContact CG2-CB 4.07Å; E195-A253 CarbonylContact O-C 3.52Å; E195-A253 VanDerWaalsContact O-CA 3.26Å; E195-A253 WeakPolarHBondContact O-CA 3.37Å; F196-A253 HydrophobicContact CD1-CB 3.79Å; F196-A253 HydrophobicContact CE1-CB 3.93Å; A253-S261 PolarHBondContact N-OG 2.83Å; A253-S261 PolarHBondContact O-N 2.72Å
254	L	81.4	Confident	84.4	Confident	58 Å²	58	45 Å²	45	30%	0.304	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	158	174	-63.7	-171.5	0	0	0	110.7	I194 E195 H197 F252 R260	I194-L254 VanDerWaalsContact CA-O 3.29Å; I194-L254 WeakPolarHBondContact CA-O 3.37Å; E195-L254 PolarHBondContact N-O 2.99Å; E195-L254 PolarHBondContact O-N 3.35Å; H197-L254 VanDerWaalsContact NE2-CD1 3.34Å; H197-L254 WeakPolarHBondContact NE2-CD1 3.25Å; F252-L254 HydrophobicContact CD2-CD2 3.87Å; F252-L254 HydrophobicContact CD2-CG 4Å; F252-L254 HydrophobicContact CE2-CD1 4.06Å; F252-L254 HydrophobicContact CE2-CD2 3.86Å; F252-L254 HydrophobicContact CE2-CG 3.8Å; L254-R260 HydrophobicContact CD2-CB 3.69Å; L254-R260 HydrophobicContact CD2-CG 3.65Å
255	S	79.7	Confident	84.5	Confident	23 Å²	23	43.9 Å²	43.9	16%	0.161	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.4	172.8	168.3	0	0	0	0	108.4	V192 S193 H257 L258	V192-S255 WeakPolarHBondContact CG1-OG 3.43Å; S193-S255 WeakPolarHBondContact O-CA 3.25Å; S193-S255 WeakPolarHBondContact O-CB 3.43Å; S193-S255 PolarHBondContact O-OG 3.31Å; S255-H257 PolarHBondContact O-N 3.16Å; S255-H257 PolarHBondContact OG-N 3.24Å; S255-L258 PolarHBondContact OG-N 3.07Å
256	Q	67.5	Low	84.7	Confident	145 Å²	145	46.9 Å²	46.9	68%	0.678	22%	0.218	S	C	*	.	S	Bend	trans	-68.7	-23.4	175.1	-63.9	-176.4	4.8	0	0	113.5
257	H	68.2	Low	84.8	Confident	134 Å²	134	49.1 Å²	49.1	62%	0.62	23%	0.23	S	C	*	.	S	Bend	trans	-121.7	-15.8	-172.1	-57	-47.9	0	0	0	113.9	S255	S255-H257 PolarHBondContact O-N 3.16Å; S255-H257 PolarHBondContact OG-N 3.24Å
258	L	73.3	Confident	84.8	Confident	21 Å²	21	50 Å²	50	11%	0.11	23%	0.234	C	C	.	.	S	Bend	trans	-113.8	158.8	-178.3	-55.4	165.8	0	0	0	110.3	P154 V156 Q189 V192 S255	P154-L258 HydrophobicContact CB-CD2 3.96Å; P154-L258 HydrophobicContact CG-CD2 3.74Å; V156-L258 HydrophobicContact CG2-CB 3.73Å; V156-L258 HydrophobicContact CG2-CD1 4.09Å; Q189-L258 HydrophobicContact CB-CD1 4.32Å; Q189-L258 HydrophobicContact CG-CD1 3.94Å; Q189-L258 HydrophobicContact CG-CD2 4.37Å; V192-L258 HydrophobicContact CG1-CD1 3.95Å; V192-L258 HydrophobicContact CG1-CG 4.36Å; S255-L258 PolarHBondContact OG-N 3.07Å
259	C	75.5	Confident	84.7	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.027	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-79.2	146.8	179.8	-88	0	0	0	0	114	C150 Q153 P154 R155 V156 S261	C150-C259 WeakPolarHBondContact CA-SG 3.36Å; C150-C259 HydrophobicContact CB-CB 3.39Å; C150-C259 WeakPolarHBondContact CB-SG 3.32Å; C150-C259 WeakPolarHBondContact SG-CB 3.34Å; C150-C259 CovalentContact SG-SG 2.03Å; C150-C259 PolarHBondContact SG-SG 3.26Å; Q153-C259 HydrophobicContact CB-CB 4.49Å; Q153-C259 PolarHBondContact OE1-SG 3.16Å; P154-C259 PolarHBondContact O-N 2.96Å; R155-C259 VanDerWaalsContact CA-O 3.32Å; R155-C259 WeakPolarHBondContact CA-O 3.41Å; R155-C259 HydrophobicContact CG-CB 3.66Å; V156-C259 PolarHBondContact N-O 2.77Å; C259-S261 PolarHBondContact O-N 2.94Å
260	R	81.3	Confident	84.6	Confident	91 Å²	91	52.9 Å²	52.9	34%	0.343	25%	0.246	S	C	.	.			trans	-44.8	130.3	178	178.3	178	176.8	-140.1	-5.9	110.2	R155 F252 L254 E263	R155-R260 PolarHBondContact NH1-O 3.37Å; R155-R260 VanDerWaalsContact NH1-O 3.08Å; F252-R260 HydrophobicContact CB-CG 4.4Å; F252-R260 HydrophobicContact CD2-CG 3.93Å; F252-R260 HydrophobicContact CG-CG 4.43Å; F252-R260 VanDerWaalsContact CG-NE 3.26Å; L254-R260 HydrophobicContact CD2-CB 3.69Å; L254-R260 HydrophobicContact CD2-CG 3.65Å; R260-E263 IonicContact CZ-OE2 3.81Å; R260-E263 IonicContact NH2-OE1 2.68Å; R260-E263 PolarHBondContact NH2-OE1 2.87Å; R260-E263 IonicContact NH2-OE2 2.75Å; R260-E263 PolarHBondContact NH2-OE2 3.49Å
261	S	84.8	Confident	84.4	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.021	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-58.2	161.5	176.3	79	0	0	0	0	110.5	V156 A157 A253 C259 E263	V156-S261 WeakPolarHBondContact O-CA 3.38Å; V156-S261 WeakPolarHBondContact O-CB 3.4Å; A157-S261 WeakPolarHBondContact O-CB 3.41Å; A253-S261 PolarHBondContact N-OG 2.83Å; A253-S261 PolarHBondContact O-N 2.72Å; C259-S261 PolarHBondContact O-N 2.94Å; S261-E263 PolarHBondContact O-N 3.18Å
262	K	83.4	Confident	83.9	Confident	147 Å²	147	57.5 Å²	57.5	64%	0.639	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-58.4	141.1	163.9	-71.6	-173.5	178	-178.8	0	109.1	R158	R158-K262 HydrophobicContact CG-CB 4.33Å
263	E	86.9	Confident	83.2	Confident	52 Å²	52	61.4 Å²	61.4	24%	0.243	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-72.1	145.1	177.9	-172.6	153.3	-147.4	0	0	110.8	R158 R260 S261 L265	R158-E263 PolarHBondContact NE-O 3.47Å; R158-E263 PolarHBondContact NH2-O 3.43Å; R260-E263 IonicContact CZ-OE2 3.81Å; R260-E263 IonicContact NH2-OE1 2.68Å; R260-E263 PolarHBondContact NH2-OE1 2.87Å; R260-E263 IonicContact NH2-OE2 2.75Å; R260-E263 PolarHBondContact NH2-OE2 3.49Å; S261-E263 PolarHBondContact O-N 3.18Å; E263-L265 HydrophobicContact CG-CD2 4.06Å; E263-L265 HydrophobicContact CG-CG 4.4Å
264	V	91	Very high	82.1	Confident	13 Å²	13	67.6 Å²	67.6	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.8	175.1	-170.6	0	0	0	0	107	R158 P159 I161 Q250 M251	R158-V264 HydrophobicContact CG-CG2 3.7Å; P159-V264 HydrophobicContact CG-CG2 4.1Å; P159-V264 WeakPolarHBondContact O-CG2 3.47Å; I161-V264 HydrophobicContact CD1-CB 4.41Å; I161-V264 HydrophobicContact CD1-CG1 3.51Å; I161-V264 HydrophobicContact CG1-CG1 3.85Å; Q250-V264 WeakPolarHBondContact CA-O 3.49Å; M251-V264 HydrophobicContact CB-CB 4.43Å; M251-V264 PolarHBondContact N-O 3.19Å; M251-V264 PolarHBondContact O-N 3.21Å
265	L	89.5	Confident	80.5	Confident	90 Å²	90	73.7 Å²	73.7	47%	0.471	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.2	174.8	-58.8	174.8	0	0	0	107.6	V249 Q250 E263	V249-L265 WeakPolarHBondContact O-CA 3.49Å; Q250-L265 HydrophobicContact CB-CD2 3.84Å; Q250-L265 HydrophobicContact CG-CD2 3.48Å; Q250-L265 VanDerWaalsContact CG-CD2 3.48Å; E263-L265 HydrophobicContact CG-CD2 4.06Å; E263-L265 HydrophobicContact CG-CG 4.4Å
266	R	91.3	Very high	79	Confident	104 Å²	104	75.9 Å²	75.9	39%	0.392	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	118.7	172.7	-166.9	168.4	-175	164.3	-2.4	109.8	I161 V249	I161-R266 HydrophobicContact CD1-CB 3.73Å; I161-R266 PolarHBondContact O-NH1 3.21Å; I161-R266 VanDerWaalsContact O-NH1 3.12Å; V249-R266 PolarHBondContact N-O 2.94Å; V249-R266 PolarHBondContact O-N 2.81Å
267	D	90	Very high	77.7	Confident	93 Å²	93	71.9 Å²	71.9	50%	0.497	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	145.7	175.1	-59	-12.5	0	0	0	109.3	Y247 Q248	Y247-D267 WeakPolarHBondContact O-CA 3.25Å; Q248-D267 WeakPolarHBondContact CB-OD1 3.29Å; Q248-D267 VanDerWaalsContact CG-OD1 3.24Å; Q248-D267 WeakPolarHBondContact CG-OD1 3.49Å; Q248-D267 PolarHBondContact NE2-OD1 3.25Å
268	F	90.6	Very high	76.4	Confident	20 Å²	20	71 Å²	71	9%	0.088	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.5	175.4	73.9	-73.5	0	0	0	111.1	L164 P166 A177 L238 L241 Y247 V249 V270	L164-F268 HydrophobicContact CD2-CB 3.78Å; L164-F268 HydrophobicContact CD2-CD1 3.49Å; L164-F268 VanDerWaalsContact CD2-CD1 3.49Å; L164-F268 HydrophobicContact CD2-CD2 4.35Å; L164-F268 HydrophobicContact CD2-CE1 4.11Å; L164-F268 HydrophobicContact CD2-CG 3.61Å; L164-F268 HydrophobicContact CG-CB 4.21Å; L164-F268 HydrophobicContact CG-CD1 4.32Å; L164-F268 HydrophobicContact CG-CD2 4.33Å; L164-F268 HydrophobicContact CG-CG 4.04Å; P166-F268 HydrophobicContact CG-CD2 3.95Å; P166-F268 HydrophobicContact CG-CE2 4.4Å; A177-F268 HydrophobicContact CB-CE2 3.96Å; L238-F268 HydrophobicContact CD1-CZ 4.33Å; L241-F268 HydrophobicContact CD1-CE2 4Å; L241-F268 HydrophobicContact CD1-CZ 4.16Å; L241-F268 HydrophobicContact CD2-CZ 4.44Å; Y247-F268 VanDerWaalsContact CB-CZ 3.43Å; Y247-F268 HydrophobicContact CD2-CE2 4.35Å; Y247-F268 HydrophobicContact CD2-CZ 4.23Å; Y247-F268 HydrophobicContact CG-CE1 4.21Å; Y247-F268 AromaticContact CG-CZ 3.97Å; Y247-F268 HydrophobicContact CG-CZ 3.97Å; Y247-F268 PolarHBondContact N-O 3.46Å; Y247-F268 PolarHBondContact O-N 2.75Å; V249-F268 HydrophobicContact CG2-CD1 3.93Å; V249-F268 HydrophobicContact CG2-CE1 3.49Å; V249-F268 VanDerWaalsContact CG2-CE1 3.49Å; V249-F268 HydrophobicContact CG2-CZ 4.36Å; F268-V270 HydrophobicContact CD2-CG2 4.18Å; F268-V270 HydrophobicContact CE2-CG2 3.75Å
269	F	89.8	Confident	74.8	Confident	86 Å²	86	77 Å²	77	38%	0.377	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.2	178.4	-177.4	-117.2	0	0	0	109.2	Q244 D246 D271	Q244-F269 VanDerWaalsContact C-CE2 3.43Å; Q244-F269 HydrophobicContact CB-CZ 4.4Å; D246-F269 WeakPolarHBondContact OD1-CD2 3.06Å; F269-D271 HydrophobicContact CD1-CB 3.7Å; F269-D271 HydrophobicContact CE1-CB 3.62Å; F269-D271 PolarHBondContact O-N 2.66Å
270	V	89.4	Confident	72.9	Confident	0 Å²	0	87 Å²	87	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	102.8	176.6	-180	0	0	0	0	108.3	P166 F175 L241 K242 N243 Q244 T245 Y247 F268 V272	P166-V270 HydrophobicContact CB-CB 4.47Å; P166-V270 HydrophobicContact CB-CG1 4.2Å; P166-V270 HydrophobicContact CB-CG2 4.26Å; P166-V270 HydrophobicContact CG-CG2 4.33Å; F175-V270 HydrophobicContact CB-CG1 4.25Å; F175-V270 HydrophobicContact CD1-CG1 4.19Å; F175-V270 HydrophobicContact CG-CG1 4.4Å; L241-V270 HydrophobicContact CB-CG2 4.31Å; L241-V270 HydrophobicContact CD1-CG2 4.09Å; K242-V270 WeakPolarHBondContact O-CB 3.27Å; N243-V270 PolarHBondContact OD1-O 3.33Å; N243-V270 VanDerWaalsContact OD1-O 3.13Å; Q244-V270 WeakPolarHBondContact CA-O 3.5Å; Q244-V270 PolarHBondContact N-O 3.35Å; T245-V270 PolarHBondContact O-N 2.91Å; Y247-V270 HydrophobicContact CD2-CG2 3.78Å; Y247-V270 HydrophobicContact CE2-CG2 3.87Å; F268-V270 HydrophobicContact CD2-CG2 4.18Å; F268-V270 HydrophobicContact CE2-CG2 3.75Å; V270-V272 HydrophobicContact CG1-CG2 4.41Å
271	D	87.1	Confident	70.6	Confident	97 Å²	97	88.5 Å²	88.5	52%	0.519	47%	0.47	S	S	.	.			trans	-128.8	89.3	174.8	-170.2	12.4	0	0	0	109.5	Q244 F269	Q244-D271 PolarHBondContact NE2-OD1 2.67Å; F269-D271 HydrophobicContact CD1-CB 3.7Å; F269-D271 HydrophobicContact CE1-CB 3.62Å; F269-D271 PolarHBondContact O-N 2.66Å
272	V	82.9	Confident	68	Low	18 Å²	18	91.8 Å²	91.8	11%	0.109	50%	0.497	C	S	.	.			trans	-118.8	116.1	-178.6	-176	0	0	0	0	108.6	P166 W168 F175 N243 V270	P166-V272 HydrophobicContact CB-CG2 3.98Å; W168-V272 HydrophobicContact CB-CG1 4Å; F175-V272 HydrophobicContact CD1-CB 4.11Å; F175-V272 HydrophobicContact CD1-CG2 4.41Å; F175-V272 HydrophobicContact CE1-CB 3.95Å; N243-V272 PolarHBondContact ND2-O 2.98Å; N243-V272 VanDerWaalsContact ND2-O 3.13Å; N243-V272 PolarHBondContact OD1-N 3.12Å; V270-V272 HydrophobicContact CG1-CG2 4.41Å
273	P	74.7	Confident	65.3	Low	90 Å²	90	94.1 Å²	94.1	58%	0.584	51%	0.511	S	S	*	.			trans	-65	132.5	175.2	-17.6	29.3	0	0	0	110.9	Q275	P273-Q275 PolarHBondContact O-N 3.47Å
274	L	65.8	Low	62.5	Low	131 Å²	131	96.9 Å²	96.9	69%	0.686	53%	0.531	S	S	*	.	S	Bend	trans	-67.8	-18	174.5	-96.8	97.3	0	0	0	113.1	F175	F175-L274 HydrophobicContact CZ-CD1 4.12Å
275	Q	47.6	Very low	59.3	Low	186 Å²	186	105.3 Å²	105.3	87%	0.869	57%	0.569	S	S	*	*	S	Bend	trans	-100.5	116.9	-179.6	-72.9	-177.6	-6.4	0	0	110.9	P273	P273-Q275 PolarHBondContact O-N 3.47Å
276	G	48	Very low	56.3	Low	69 Å²	69	106.9 Å²	106.9	71%	0.711	58%	0.582	S	S	*	*			trans	106.6	15	167.5	0	0	0	0	0	116.8	T278	G276-T278 PolarHBondContact O-N 3.19Å
277	A	41.7	Very low	53.2	Low	61 Å²	61	104.8 Å²	104.8	50%	0.504	59%	0.593	S	S	.	*			trans	-64.7	90.7	179.1	0	0	0	0	0	111.8	N279	A277-N279 PolarHBondContact O-N 2.77Å
278	T	40.1	Very low	50	Low	114 Å²	114	106.6 Å²	106.6	70%	0.699	61%	0.608	S	S	*	*			trans	-56.1	129.3	164.8	43.2	0	0	0	0	109.7	G276 Y280	G276-T278 PolarHBondContact O-N 3.19Å; T278-Y280 PolarHBondContact O-N 2.88Å
279	N	38.5	Very low	46.8	Very low	147 Å²	147	116.9 Å²	116.9	79%	0.786	65%	0.646	S	S	*	*			trans	-44.4	98.3	174.6	-72.6	-18.3	0	0	0	112.1	A277 T281	A277-N279 PolarHBondContact O-N 2.77Å; N279-T281 VanDerWaalsContact C-N 3.35Å; N279-T281 PolarHBondContact O-N 3.28Å
280	Y	36.4	Very low	43.8	Very low	216 Å²	216	121.4 Å²	121.4	85%	0.847	67%	0.668	S	S	*	*			trans	-82.5	87.7	160.5	-105.7	-89.8	0	0	0	107.5	T278 A282	T278-Y280 PolarHBondContact O-N 2.88Å; Y280-A282 PolarHBondContact O-N 3.34Å; Y280-A282 VanDerWaalsContact O-N 3.07Å
281	T	32.6	Very low	40.6	Very low	122 Å²	122	128 Å²	128	75%	0.748	71%	0.708	S	S	*	*			trans	-73.3	93.8	166	41.4	0	0	0	0	108.2	N279 Q283	N279-T281 VanDerWaalsContact C-N 3.35Å; N279-T281 PolarHBondContact O-N 3.28Å; T281-Q283 PolarHBondContact O-N 3.34Å
282	A	31.9	Very low	37.8	Very low	72 Å²	72	130.2 Å²	130.2	60%	0.595	73%	0.725	S	S	*	*			trans	-57.3	123.2	162.1	0	0	0	0	0	107.8	Y280 V284	Y280-A282 PolarHBondContact O-N 3.34Å; Y280-A282 VanDerWaalsContact O-N 3.07Å; A282-V284 HydrophobicContact CB-CG2 4.48Å; A282-V284 PolarHBondContact O-N 3.45Å
283	Q	25.9	Very low	35.1	Very low	196 Å²	196	133.6 Å²	133.6	92%	0.916	76%	0.755	S	S	*	*			trans	-67.2	86.5	170.2	-72.7	-175.1	-40.5	0	0	107.8	T281 E285	T281-Q283 PolarHBondContact O-N 3.34Å; Q283-E285 VanDerWaalsContact C-N 3.35Å; Q283-E285 PolarHBondContact O-N 2.83Å; Q283-E285 VanDerWaalsContact O-N 3.08Å
284	V	27.1	Very low	32.7	Very low	110 Å²	110	135.9 Å²	135.9	67%	0.667	76%	0.762	S	S	*	*			trans	-74.9	93.8	170.1	-179.7	0	0	0	0	106.6	A282 V286	A282-V284 HydrophobicContact CB-CG2 4.48Å; A282-V284 PolarHBondContact O-N 3.45Å; V284-V286 VanDerWaalsContact C-N 3.35Å; V284-V286 HydrophobicContact CG1-CG2 3.96Å; V284-V286 PolarHBondContact O-N 2.88Å
285	E	24.3	Very low	30.9	Very low	190 Å²	190	140 Å²	140	89%	0.888	78%	0.775	S	S	*	*			trans	-65.9	103.3	156.1	-79.9	-172.1	162.4	0	0	107	Q283 G287	Q283-E285 VanDerWaalsContact C-N 3.35Å; Q283-E285 PolarHBondContact O-N 2.83Å; Q283-E285 VanDerWaalsContact O-N 3.08Å; E285-G287 VanDerWaalsContact C-N 3.25Å; E285-G287 PolarHBondContact O-N 3.46Å
286	V	26.5	Very low	29.8	Very low	122 Å²	122	135.3 Å²	135.3	74%	0.739	76%	0.762	S	S	*	*			trans	-66.3	88	176.9	179.5	0	0	0	0	108	V284 T288	V284-V286 VanDerWaalsContact C-N 3.35Å; V284-V286 HydrophobicContact CG1-CG2 3.96Å; V284-V286 PolarHBondContact O-N 2.88Å; V286-T288 PolarHBondContact O-N 3.31Å
287	G	25.6	Very low	28.9	Very low	60 Å²	60	138.2 Å²	138.2	62%	0.619	77%	0.767	S	S	*	*			trans	-61.2	116.6	161.4	0	0	0	0	0	108.6	E285 R289	E285-G287 VanDerWaalsContact C-N 3.25Å; E285-G287 PolarHBondContact O-N 3.46Å; G287-R289 PolarHBondContact O-N 3.01Å; G287-R289 VanDerWaalsContact O-N 3.16Å
288	T	23.9	Very low	28.2	Very low	132 Å²	132	142 Å²	142	81%	0.81	78%	0.778	S	S	*	*			trans	-32.2	110.1	177.6	32.1	0	0	0	0	113.6	V286 H290	V286-T288 PolarHBondContact O-N 3.31Å; T288-H290 PolarHBondContact O-N 2.93Å
289	R	23.1	Very low	27.7	Very low	235 Å²	235	143.8 Å²	143.8	89%	0.887	78%	0.782	S	S	*	*			trans	-68.1	120.6	165.7	-81.4	-179	173.3	176.2	-2.6	108.6	G287 T291	G287-R289 PolarHBondContact O-N 3.01Å; G287-R289 VanDerWaalsContact O-N 3.16Å; R289-T291 PolarHBondContact O-N 2.95Å
290	H	25.9	Very low	28.2	Very low	182 Å²	182	141 Å²	141	84%	0.843	77%	0.772	S	S	*	*			trans	-58.8	116.8	160.3	-80.4	-86.4	0	0	0	108.6	T288 V292	T288-H290 PolarHBondContact O-N 2.93Å; H290-V292 PolarHBondContact O-N 3.05Å
291	T	23.5	Very low	27.8	Very low	137 Å²	137	138.7 Å²	138.7	84%	0.84	77%	0.769	S	S	*	*			trans	-59.8	113.2	172.7	44.9	0	0	0	0	109.9	R289	R289-T291 PolarHBondContact O-N 2.95Å
292	V	27.5	Very low	27.4	Very low	145 Å²	145	140.5 Å²	140.5	88%	0.879	77%	0.769	S	S	*	*			trans	-100.3	133	156.6	177.1	0	0	0	0	106.6	H290	H290-V292 PolarHBondContact O-N 3.05Å
293	A	26.3	Very low	27.4	Very low	89 Å²	89	144.5 Å²	144.5	74%	0.736	78%	0.779	S	S	*	*			trans	-61.9	151.6	-162.2	0	0	0	0	0	115.2
294	D	23.7	Very low	27.3	Very low	137 Å²	137	140 Å²	140	73%	0.733	77%	0.769	S	S	*	*			trans	-39.5	131.6	174.9	-65	-59.3	0	0	0	116
295	F	29.8	Very low	27.4	Very low	218 Å²	218	141.6 Å²	141.6	96%	0.956	78%	0.779	S	S	*	*			trans	-127.2	103.2	136.3	-85.7	-81.5	0	0	0	107.9
296	S	23.2	Very low	27.5	Very low	87 Å²	87	139 Å²	139	61%	0.608	78%	0.776	S	S	*	*			trans	-108.4	130.2	175.9	41.4	0	0	0	0	109.2
297	T	29.8	Very low	27.3	Very low	130 Å²	130	136.8 Å²	136.8	80%	0.798	77%	0.771	S	S	*	*			trans	177.8	90.7	155	16.4	0	0	0	0	107.8
298	L	27.8	Very low	27.2	Very low	142 Å²	142	141.9 Å²	141.9	74%	0.743	78%	0.783	S	S	*	*				66.1	96.5	91.9	-65.7	163.7	0	0	0	113.3
299	L	28	Very low	27.1	Very low	150 Å²	150	145.4 Å²	145.4	79%	0.785	78%	0.783	S	S	*	*				92.6	161.9	97.9	-80.5	172.5	0	0	0	113.2
300	P	49	Very low	27.4	Very low	90 Å²	90	140.6 Å²	140.6	58%	0.584	78%	0.78	S	S	*	*			cis	-140.6	-175.3	-34.8	39.2	-20.9	0	0	0	114.8
301	E	27.7	Very low	27.4	Very low	166 Å²	166	140.2 Å²	140.2	78%	0.776	78%	0.779	S	S	*	*			trans	70.3	153.2	147.5	-84.2	170.7	174.5	0	0	119.5
302	Q	25.5	Very low	27.5	Very low	161 Å²	161	140.8 Å²	140.8	75%	0.752	78%	0.776	S	S	*	*			cis	-167.3	153.9	-27.3	-123.9	-170	1.2	0	0	104
303	I	32.2	Very low	27.3	Very low	155 Å²	155	137.3 Å²	137.3	80%	0.795	76%	0.762	S	S	*	*			trans	151.5	111.8	134.8	-74.5	156.9	0	0	0	110.4
304	S	22.5	Very low	27.4	Very low	103 Å²	103	140 Å²	140	72%	0.72	77%	0.765	S	S	*	*			trans	-60.3	140.7	164.7	-53.8	0	0	0	0	112.5
305	T	30.5	Very low	27.5	Very low	142 Å²	142	139.2 Å²	139.2	87%	0.871	77%	0.765	S	S	*	*			trans	-142.3	121.8	141.2	34.1	0	0	0	0	109.7
306	T	24.9	Very low	27.5	Very low	135 Å²	135	135.9 Å²	135.9	83%	0.828	76%	0.762	S	S	*	*			trans	-78	153.6	-170.2	-39.3	0	0	0	0	111.4
307	A	22.2	Very low	27.6	Very low	76 Å²	76	139.8 Å²	139.8	63%	0.628	77%	0.771	S	S	*	*			trans	-41.3	154.6	168.5	0	0	0	0	0	115.5
308	L	24.4	Very low	27.4	Very low	167 Å²	167	139.8 Å²	139.8	87%	0.874	77%	0.766	S	S	*	*				-171.7	141.1	102	-144.4	77.8	0	0	0	111.7
309	Y	22.1	Very low	27.6	Very low	206 Å²	206	139.6 Å²	139.6	81%	0.808	77%	0.771	S	S	*	*			trans	-69.8	154	168.4	-70.3	-103.7	0	0	0	112.6
310	T	28.5	Very low	27.9	Very low	134 Å²	134	140 Å²	140	82%	0.822	77%	0.773	S	S	*	*			trans	174.5	105.4	136.6	27.4	0	0	0	0	105.8
311	E	25.8	Very low	27.7	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.813	78%	0.777	S	S	*	*				69.8	125.7	63.1	-145.6	-177.6	-135.6	0	0	114.1
312	L	25.3	Very low	27.6	Very low	150 Å²	150	138.1 Å²	138.1	79%	0.785	78%	0.778	S	S	*	*			trans	92.5	107.6	147.6	-127.1	75	0	0	0	121.2
313	A	24.9	Very low	27.6	Very low	72 Å²	72	134.5 Å²	134.5	60%	0.595	78%	0.776	S	S	*	*				45.2	127.9	127.3	0	0	0	0	0	120.7
314	N	27.6	Very low	27.7	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	78%	0.782	S	S	*	*				-178.3	134.6	98.7	-94	-27.4	0	0	0	112.7
315	T	24.9	Very low	27.8	Very low	119 Å²	119	133 Å²	133	73%	0.73	79%	0.785	S	S	*	*			trans	-0.9	135.8	143.4	34.7	0	0	0	0	118.8
316	T	31.6	Very low	28	Very low	149 Å²	149	134.3 Å²	134.3	91%	0.914	79%	0.785	S	S	*	*			trans	-160.6	137.5	136.7	14.5	0	0	0	0	111.2
317	E	24.1	Very low	28.7	Very low	168 Å²	168	133 Å²	133	79%	0.785	78%	0.779	S	S	*	*			trans	-79.7	171.6	-177.9	-58.3	169.3	119.7	0	0	113.6
318	N	25.8	Very low	29.1	Very low	131 Å²	131	135.6 Å²	135.6	70%	0.701	79%	0.786	S	S	*	*			trans	78.8	131.9	155.5	-54.9	-35.2	0	0	0	115
319	T	31.2	Very low	30.2	Very low	138 Å²	138	133.1 Å²	133.1	85%	0.847	78%	0.78	S	S	*	*				-174	152.9	51.1	-26.1	0	0	0	0	110
320	L	34.9	Very low	30.8	Very low	158 Å²	158	129.2 Å²	129.2	83%	0.827	78%	0.778	S	S	*	*			trans	-55.7	171.3	159.5	-105.2	96.6	0	0	0	112
321	P	44.9	Very low	31.3	Very low	103 Å²	103	127.6 Å²	127.6	67%	0.669	78%	0.778	S	S	*	*			cis	-154.1	-178.5	33.2	44.8	-23.6	0	0	0	118.8
322	S	26.4	Very low	32	Very low	113 Å²	113	125 Å²	125	79%	0.79	78%	0.775	S	S	*	*			trans	67.5	149.1	144.8	-59.4	0	0	0	0	120.5
323	A	25.4	Very low	33.1	Very low	86 Å²	86	123.2 Å²	123.2	71%	0.711	77%	0.77	S	S	*	*			cis	179.2	142.9	-13.9	0	0	0	0	0	105.4
324	S	32.8	Very low	34.4	Very low	133 Å²	133	127 Å²	127	93%	0.93	78%	0.775	S	S	*	*			trans	172	133.2	141.9	34.2	0	0	0	0	112
325	A	25.5	Very low	35.6	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	77%	0.772	S	S	*	*			trans	-105.5	152.6	-171.1	0	0	0	0	0	111.8
326	I	34.9	Very low	37.1	Very low	168 Å²	168	129.1 Å²	129.1	86%	0.862	77%	0.772	S	S	*	*			trans	-147.9	141.5	149.7	-57.8	-174.8	0	0	0	109.3
327	P	38.5	Very low	38.5	Very low	109 Å²	109	130.3 Å²	130.3	71%	0.708	76%	0.761	S	S	*	*			trans	-116.5	-176.7	-163.5	28.5	-6.7	0	0	0	115.9
328	V	31	Very low	40.2	Very low	130 Å²	130	127.3 Å²	127.3	79%	0.788	75%	0.749	S	S	*	*			trans	100.3	147.3	152	-167.7	0	0	0	0	116.7
329	P	47.3	Very low	42.1	Very low	114 Å²	114	126.9 Å²	126.9	74%	0.74	75%	0.746	S	S	*	*			cis	-125.6	168.3	-20.4	28.3	-8.1	0	0	0	116
330	T	34.8	Very low	43.8	Very low	125 Å²	125	123.1 Å²	123.1	77%	0.767	73%	0.729	S	S	*	*			trans	-55.2	135.8	170.2	48.5	0	0	0	0	117.3
331	A	38.7	Very low	45.6	Very low	100 Å²	100	119.3 Å²	119.3	83%	0.826	71%	0.709	S	S	*	*			trans	-128.2	95.7	156.4	0	0	0	0	0	109.3	T333	A331-T333 PolarHBondContact O-N 3.05Å
332	T	41.1	Very low	47	Very low	120 Å²	120	119.6 Å²	119.6	74%	0.736	70%	0.704	S	S	*	*			trans	-88.3	94.2	-176.1	45.3	0	0	0	0	111.2
333	T	49.1	Very low	49.6	Very low	111 Å²	111	117.6 Å²	117.6	68%	0.681	69%	0.688	S	S	*	*			trans	-143.6	-4.1	162.9	46.5	0	0	0	0	114.9	A331	A331-T333 PolarHBondContact O-N 3.05Å
334	H	51.8	Low	52.2	Low	152 Å²	152	117.6 Å²	117.6	70%	0.704	68%	0.679	S	S	*	*	S	Bend	trans	-87.6	-15.3	-176.1	-93.6	-84.8	0	0	0	116
335	E	53.9	Low	54.7	Low	152 Å²	152	117.1 Å²	117.1	71%	0.71	66%	0.661	S	S	*	*	H	α-helix	trans	-76.6	-28.4	-170.5	-65.3	-164.9	156.2	0	0	114.3	Y337 L338 I339	E335-Y337 PolarHBondContact O-N 2.8Å; E335-L338 PolarHBondContact O-N 2.88Å; E335-I339 WeakPolarHBondContact O-CG1 3.26Å
336	H	56.4	Low	57.6	Low	158 Å²	158	115.7 Å²	115.7	73%	0.731	65%	0.645	S	S	*	*	H	α-helix	trans	-72.4	-31.8	-176.3	-70.2	92.7	0	0	0	113.4
337	Y	60	Low	60.3	Low	174 Å²	174	112 Å²	112	68%	0.682	63%	0.63	S	S	*	*	H	α-helix	trans	-72.9	-36.1	177.8	-75.2	-79.7	0	0	0	112.2	E335 I339 A340 I341	E335-Y337 PolarHBondContact O-N 2.8Å; Y337-I339 VanDerWaalsContact C-N 3.32Å; Y337-I339 PolarHBondContact O-N 2.97Å; Y337-A340 PolarHBondContact O-N 3.21Å; Y337-I341 WeakPolarHBondContact O-CB 3.45Å; Y337-I341 WeakPolarHBondContact O-CD1 3.44Å; Y337-I341 WeakPolarHBondContact O-CG1 3.24Å; Y337-I341 PolarHBondContact O-N 3.33Å
338	L	59.7	Low	62.8	Low	105 Å²	105	111.4 Å²	111.4	55%	0.55	62%	0.621	S	S	.	*	H	α-helix	trans	-63	-38.6	179.2	-89.6	156.6	0	0	0	112.3	E335 A340 I341 L342	E335-L338 PolarHBondContact O-N 2.88Å; L338-A340 VanDerWaalsContact C-N 3.34Å; L338-A340 PolarHBondContact O-N 2.75Å; L338-I341 PolarHBondContact O-N 2.68Å; L338-L342 WeakPolarHBondContact O-CD1 3.33Å; L338-L342 VanDerWaalsContact O-CG 3.32Å; L338-L342 WeakPolarHBondContact O-CG 3.26Å; L338-L342 PolarHBondContact O-N 3.11Å
339	I	66.9	Low	65.8	Low	121 Å²	121	110.5 Å²	110.5	62%	0.621	61%	0.611	S	S	*	*	H	α-helix	trans	-69.4	-31.3	-179.3	-60.4	170.1	0	0	0	111.8	E335 Y337 P343	E335-I339 WeakPolarHBondContact O-CG1 3.26Å; Y337-I339 VanDerWaalsContact C-N 3.32Å; Y337-I339 PolarHBondContact O-N 2.97Å; I339-P343 WeakPolarHBondContact O-CD 3.5Å; I339-P343 WeakPolarHBondContact O-CG 3.28Å
340	A	66.3	Low	68	Low	60 Å²	60	110.9 Å²	110.9	50%	0.496	61%	0.605	S	S	.	*	H	α-helix	trans	-82.3	-30.6	177.1	0	0	0	0	0	113.4	Y337 L338 P343 T344	Y337-A340 PolarHBondContact O-N 3.21Å; L338-A340 VanDerWaalsContact C-N 3.34Å; L338-A340 PolarHBondContact O-N 2.75Å; A340-P343 WeakPolarHBondContact O-CD 3.22Å; A340-T344 WeakPolarHBondContact O-CG2 3.24Å; A340-T344 PolarHBondContact O-OG1 3.22Å; A340-T344 VanDerWaalsContact O-OG1 3.14Å
341	I	72.2	Confident	70.8	Confident	78 Å²	78	108.4 Å²	108.4	40%	0.4	59%	0.59	S	S	.	*	H	α-helix	trans	-75.6	-36.6	-177.9	-67.8	167.2	0	0	0	111.3	Y337 L338 T344 F345	Y337-I341 WeakPolarHBondContact O-CB 3.45Å; Y337-I341 WeakPolarHBondContact O-CD1 3.44Å; Y337-I341 WeakPolarHBondContact O-CG1 3.24Å; Y337-I341 PolarHBondContact O-N 3.33Å; L338-I341 PolarHBondContact O-N 2.68Å; I341-T344 WeakPolarHBondContact CA-OG1 3.49Å; I341-T344 PolarHBondContact O-N 2.67Å; I341-T344 PolarHBondContact O-OG1 3.2Å; I341-F345 HydrophobicContact CG2-CD2 3.39Å; I341-F345 HydrophobicContact CG2-CE2 3.56Å; I341-F345 WeakPolarHBondContact O-CB 3.49Å; I341-F345 WeakPolarHBondContact O-CD2 3.38Å; I341-F345 PolarHBondContact O-N 3.22Å
342	L	74	Confident	73.3	Confident	109 Å²	109	108 Å²	108	57%	0.571	57%	0.573	S	S	*	*	H	α-helix	trans	-60	-48.1	-178.2	-75.6	166.8	0	0	0	114.8	L338 S346	L338-L342 WeakPolarHBondContact O-CD1 3.33Å; L338-L342 VanDerWaalsContact O-CG 3.32Å; L338-L342 WeakPolarHBondContact O-CG 3.26Å; L338-L342 PolarHBondContact O-N 3.11Å; L342-S346 WeakPolarHBondContact O-CB 3.42Å; L342-S346 PolarHBondContact O-N 3.48Å; L342-S346 PolarHBondContact O-OG 3.44Å
343	P	80.4	Confident	75.7	Confident	70 Å²	70	104.8 Å²	104.8	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-70.4	-33.4	177.8	23.7	-30.3	0	0	0	112.3	I339 A340 S346 V347	I339-P343 WeakPolarHBondContact O-CD 3.5Å; I339-P343 WeakPolarHBondContact O-CG 3.28Å; A340-P343 WeakPolarHBondContact O-CD 3.22Å; P343-S346 WeakPolarHBondContact O-CB 3.41Å; P343-S346 PolarHBondContact O-N 2.86Å; P343-V347 WeakPolarHBondContact O-CG2 3.49Å; P343-V347 PolarHBondContact O-N 3.44Å
344	T	81.7	Confident	77.8	Confident	87 Å²	87	101.5 Å²	101.5	53%	0.534	55%	0.546	S	S	.	.	H	α-helix	trans	-67.9	-39.9	177.2	52.6	0	0	0	0	112	A340 I341 S346 V347 L348	A340-T344 WeakPolarHBondContact O-CG2 3.24Å; A340-T344 PolarHBondContact O-OG1 3.22Å; A340-T344 VanDerWaalsContact O-OG1 3.14Å; I341-T344 WeakPolarHBondContact CA-OG1 3.49Å; I341-T344 PolarHBondContact O-N 2.67Å; I341-T344 PolarHBondContact O-OG1 3.2Å; T344-S346 VanDerWaalsContact C-N 3.34Å; T344-V347 PolarHBondContact O-N 3.45Å; T344-L348 WeakPolarHBondContact O-CB 3.41Å; T344-L348 PolarHBondContact O-N 3.34Å
345	F	85.2	Confident	79.6	Confident	123 Å²	123	98.7 Å²	98.7	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-39.7	170.3	-96.7	-93.1	0	0	0	112.3	I341 L348 L349	I341-F345 HydrophobicContact CG2-CD2 3.39Å; I341-F345 HydrophobicContact CG2-CE2 3.56Å; I341-F345 WeakPolarHBondContact O-CB 3.49Å; I341-F345 WeakPolarHBondContact O-CD2 3.38Å; I341-F345 PolarHBondContact O-N 3.22Å; F345-L348 PolarHBondContact O-N 3.39Å; F345-L349 WeakPolarHBondContact O-CB 3.44Å; F345-L349 VanDerWaalsContact O-CG 3.3Å; F345-L349 WeakPolarHBondContact O-CG 3.36Å; F345-L349 PolarHBondContact O-N 3.02Å
346	S	86.3	Confident	81	Confident	64 Å²	64	94.6 Å²	94.6	45%	0.448	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-43.4	178.2	-58.3	0	0	0	0	111.5	L342 P343 T344 L349 I350	L342-S346 WeakPolarHBondContact O-CB 3.42Å; L342-S346 PolarHBondContact O-N 3.48Å; L342-S346 PolarHBondContact O-OG 3.44Å; P343-S346 WeakPolarHBondContact O-CB 3.41Å; P343-S346 PolarHBondContact O-N 2.86Å; T344-S346 VanDerWaalsContact C-N 3.34Å; S346-L349 PolarHBondContact O-N 3.45Å; S346-I350 VanDerWaalsContact O-CG1 3.28Å; S346-I350 WeakPolarHBondContact O-CG1 3.48Å; S346-I350 PolarHBondContact O-N 3.42Å; S346-I350 VanDerWaalsContact O-N 3.08Å
347	V	90.9	Very high	82.3	Confident	91 Å²	91	90 Å²	90	55%	0.552	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-43.3	174.9	174.2	0	0	0	0	111.1	P343 T344 L349 I350 V351	P343-V347 WeakPolarHBondContact O-CG2 3.49Å; P343-V347 PolarHBondContact O-N 3.44Å; T344-V347 PolarHBondContact O-N 3.45Å; V347-L349 VanDerWaalsContact C-N 3.34Å; V347-L349 PolarHBondContact O-N 2.92Å; V347-I350 PolarHBondContact O-N 2.94Å; V347-V351 WeakPolarHBondContact O-CG2 3.49Å; V347-V351 PolarHBondContact O-N 2.85Å
348	L	91.9	Very high	83.4	Confident	96 Å²	96	86.9 Å²	86.9	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-41	178	-172.2	67.4	0	0	0	111.8	T344 F345 V351 I352	T344-L348 WeakPolarHBondContact O-CB 3.41Å; T344-L348 PolarHBondContact O-N 3.34Å; F345-L348 PolarHBondContact O-N 3.39Å; L348-V351 PolarHBondContact O-N 3.36Å; L348-I352 HydrophobicContact CG-CD1 3.98Å; L348-I352 WeakPolarHBondContact O-CB 3.41Å; L348-I352 VanDerWaalsContact O-CG1 3.26Å; L348-I352 WeakPolarHBondContact O-CG1 3.5Å; L348-I352 PolarHBondContact O-N 3.17Å
349	L	93.1	Very high	84.4	Confident	111 Å²	111	86.4 Å²	86.4	58%	0.581	50%	0.498	S	S	*	.	H	α-helix	trans	-63.9	-39.8	175.7	-75.6	171.4	0	0	0	112.1	F345 S346 V347 I352 A353	F345-L349 WeakPolarHBondContact O-CB 3.44Å; F345-L349 VanDerWaalsContact O-CG 3.3Å; F345-L349 WeakPolarHBondContact O-CG 3.36Å; F345-L349 PolarHBondContact O-N 3.02Å; S346-L349 PolarHBondContact O-N 3.45Å; V347-L349 VanDerWaalsContact C-N 3.34Å; V347-L349 PolarHBondContact O-N 2.92Å; L349-I352 PolarHBondContact O-N 2.72Å; L349-A353 VanDerWaalsContact O-CB 3.25Å; L349-A353 WeakPolarHBondContact O-CB 3.37Å; L349-A353 PolarHBondContact O-N 2.84Å
350	I	93.7	Very high	85	Confident	121 Å²	121	88.3 Å²	88.3	62%	0.621	50%	0.498	S	S	*	.	H	α-helix	trans	-65.1	-41.1	175.4	-67.8	165.2	0	0	0	110.8	S346 V347 A353 G354	S346-I350 VanDerWaalsContact O-CG1 3.28Å; S346-I350 WeakPolarHBondContact O-CG1 3.48Å; S346-I350 PolarHBondContact O-N 3.42Å; S346-I350 VanDerWaalsContact O-N 3.08Å; V347-I350 PolarHBondContact O-N 2.94Å; I350-A353 PolarHBondContact O-N 2.94Å; I350-G354 PolarHBondContact O-N 3.11Å
351	V	93.4	Very high	85.4	Confident	74 Å²	74	94.8 Å²	94.8	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-45	176.3	172.5	0	0	0	0	110.9	V347 L348 A353 G354 I355	V347-V351 WeakPolarHBondContact O-CG2 3.49Å; V347-V351 PolarHBondContact O-N 2.85Å; L348-V351 PolarHBondContact O-N 3.36Å; V351-A353 VanDerWaalsContact C-N 3.34Å; V351-A353 PolarHBondContact O-N 2.87Å; V351-G354 PolarHBondContact O-N 3.38Å; V351-I355 HydrophobicContact CG1-CD1 3.77Å; V351-I355 HydrophobicContact CG1-CG1 4.4Å; V351-I355 VanDerWaalsContact O-CG1 3.27Å; V351-I355 WeakPolarHBondContact O-CG1 3.48Å; V351-I355 PolarHBondContact O-N 3.26Å
352	I	92.6	Very high	85.2	Confident	91 Å²	91	100.7 Å²	100.7	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-63.3	-41.6	176.8	-68.4	167.1	0	0	0	110.7	L348 L349 I355 S356	L348-I352 HydrophobicContact CG-CD1 3.98Å; L348-I352 WeakPolarHBondContact O-CB 3.41Å; L348-I352 VanDerWaalsContact O-CG1 3.26Å; L348-I352 WeakPolarHBondContact O-CG1 3.5Å; L348-I352 PolarHBondContact O-N 3.17Å; L349-I352 PolarHBondContact O-N 2.72Å; I352-I355 PolarHBondContact O-N 3.06Å; I352-S356 VanDerWaalsContact O-CB 3.28Å; I352-S356 WeakPolarHBondContact O-CB 3.3Å; I352-S356 PolarHBondContact O-N 3.35Å; I352-S356 PolarHBondContact O-OG 2.84Å
353	A	91.4	Very high	84.3	Confident	53 Å²	53	103.9 Å²	103.9	44%	0.438	54%	0.536	S	S	.	.	H	α-helix	trans	-65.4	-37.6	175.3	0	0	0	0	0	112.1	L349 I350 V351 S356 C357	L349-A353 VanDerWaalsContact O-CB 3.25Å; L349-A353 WeakPolarHBondContact O-CB 3.37Å; L349-A353 PolarHBondContact O-N 2.84Å; I350-A353 PolarHBondContact O-N 2.94Å; V351-A353 VanDerWaalsContact C-N 3.34Å; V351-A353 PolarHBondContact O-N 2.87Å; A353-S356 WeakPolarHBondContact CA-OG 3.44Å; A353-S356 PolarHBondContact O-OG 3.37Å; A353-C357 WeakPolarHBondContact O-CB 3.42Å; A353-C357 PolarHBondContact O-N 2.92Å
354	G	91.9	Very high	82.6	Confident	41 Å²	41	102.8 Å²	102.8	42%	0.423	54%	0.537	S	S	.	.	H	α-helix	trans	-65.5	-45.2	174.2	0	0	0	0	0	112.3	I350 V351 C357 H358	I350-G354 PolarHBondContact O-N 3.11Å; V351-G354 PolarHBondContact O-N 3.38Å; G354-C357 PolarHBondContact O-N 3.02Å; G354-H358 VanDerWaalsContact O-CB 3.29Å; G354-H358 WeakPolarHBondContact O-CB 3.46Å; G354-H358 PolarHBondContact O-N 3.34Å
355	I	90.2	Very high	80.6	Confident	94 Å²	94	106.6 Å²	106.6	48%	0.482	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-45.1	176	-67.4	167.4	0	0	0	110.2	V351 I352 H358 L359	V351-I355 HydrophobicContact CG1-CD1 3.77Å; V351-I355 HydrophobicContact CG1-CG1 4.4Å; V351-I355 VanDerWaalsContact O-CG1 3.27Å; V351-I355 WeakPolarHBondContact O-CG1 3.48Å; V351-I355 PolarHBondContact O-N 3.26Å; I352-I355 PolarHBondContact O-N 3.06Å; I355-H358 PolarHBondContact O-N 2.79Å; I355-L359 HydrophobicContact CG2-CD1 3.85Å; I355-L359 HydrophobicContact CG2-CG 4.24Å; I355-L359 WeakPolarHBondContact O-CB 3.43Å; I355-L359 VanDerWaalsContact O-CG 3.25Å; I355-L359 WeakPolarHBondContact O-CG 3.47Å; I355-L359 PolarHBondContact O-N 3.13Å
356	S	83.9	Confident	78.3	Confident	66 Å²	66	109.1 Å²	109.1	46%	0.462	56%	0.564	S	S	.	*	H	α-helix	trans	-64	-43.2	178.6	77.2	0	0	0	0	111.1	I352 A353 H358 L359 Y360	I352-S356 VanDerWaalsContact O-CB 3.28Å; I352-S356 WeakPolarHBondContact O-CB 3.3Å; I352-S356 PolarHBondContact O-N 3.35Å; I352-S356 PolarHBondContact O-OG 2.84Å; A353-S356 WeakPolarHBondContact CA-OG 3.44Å; A353-S356 PolarHBondContact O-OG 3.37Å; S356-H358 PolarHBondContact O-N 3.2Å; S356-L359 PolarHBondContact O-N 3.3Å; S356-Y360 WeakPolarHBondContact O-CB 3.48Å; S356-Y360 PolarHBondContact O-N 2.82Å
357	C	83.8	Confident	75.9	Confident	62 Å²	62	112 Å²	112	42%	0.419	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-40.3	174.7	-169.1	0	0	0	0	111.6	A353 G354 Y360 R361	A353-C357 WeakPolarHBondContact O-CB 3.42Å; A353-C357 PolarHBondContact O-N 2.92Å; G354-C357 PolarHBondContact O-N 3.02Å; C357-Y360 PolarHBondContact O-N 2.98Å; C357-R361 WeakPolarHBondContact O-CB 3.45Å; C357-R361 WeakPolarHBondContact O-CG 3.32Å; C357-R361 PolarHBondContact O-N 3.13Å
358	H	82.5	Confident	73.3	Confident	108 Å²	108	114.7 Å²	114.7	50%	0.5	59%	0.592	S	S	.	*	H	α-helix	trans	-67.3	-42.9	177.2	-171	55.9	0	0	0	112.3	G354 I355 S356 Y360 R361 R362	G354-H358 VanDerWaalsContact O-CB 3.29Å; G354-H358 WeakPolarHBondContact O-CB 3.46Å; G354-H358 PolarHBondContact O-N 3.34Å; I355-H358 PolarHBondContact O-N 2.79Å; S356-H358 PolarHBondContact O-N 3.2Å; H358-Y360 VanDerWaalsContact C-N 3.33Å; H358-R361 PolarHBondContact O-N 3.33Å; H358-R362 PolarHBondContact O-N 3.2Å
359	L	81.3	Confident	70.6	Confident	95 Å²	95	116.5 Å²	116.5	50%	0.497	61%	0.607	S	S	.	*	H	α-helix	trans	-65.4	-37.3	173.8	-69.7	175.4	0	0	0	111.6	I355 S356 R362 K363	I355-L359 HydrophobicContact CG2-CD1 3.85Å; I355-L359 HydrophobicContact CG2-CG 4.24Å; I355-L359 WeakPolarHBondContact O-CB 3.43Å; I355-L359 VanDerWaalsContact O-CG 3.25Å; I355-L359 WeakPolarHBondContact O-CG 3.47Å; I355-L359 PolarHBondContact O-N 3.13Å; S356-L359 PolarHBondContact O-N 3.3Å; L359-R362 PolarHBondContact O-N 2.86Å; L359-K363 WeakPolarHBondContact O-CB 3.38Å; L359-K363 WeakPolarHBondContact O-CG 3.39Å; L359-K363 PolarHBondContact O-N 3.32Å
360	Y	77.8	Confident	67.8	Low	161 Å²	161	115.8 Å²	115.8	63%	0.631	62%	0.617	S	S	*	*	H	α-helix	trans	-66.9	-42.2	175.4	-156.9	-90.4	0	0	0	111.1	S356 C357 H358 K363 G364	S356-Y360 WeakPolarHBondContact O-CB 3.48Å; S356-Y360 PolarHBondContact O-N 2.82Å; C357-Y360 PolarHBondContact O-N 2.98Å; H358-Y360 VanDerWaalsContact C-N 3.33Å; Y360-K363 CarbonylContact O-C 3.47Å; Y360-K363 PolarHBondContact O-N 3.39Å; Y360-G364 WeakPolarHBondContact O-CA 3.47Å; Y360-G364 PolarHBondContact O-N 3.42Å
361	R	75.1	Confident	64.8	Low	196 Å²	196	119.7 Å²	119.7	74%	0.74	63%	0.63	S	S	*	*	H	α-helix	trans	-65.9	-38.2	173.4	-76.9	-176.1	173.7	-171.9	-0.8	112.5	C357 H358 K363 G364	C357-R361 WeakPolarHBondContact O-CB 3.45Å; C357-R361 WeakPolarHBondContact O-CG 3.32Å; C357-R361 PolarHBondContact O-N 3.13Å; H358-R361 PolarHBondContact O-N 3.33Å; R361-K363 VanDerWaalsContact C-N 3.3Å; R361-K363 PolarHBondContact O-N 3.14Å; R361-G364 PolarHBondContact O-N 3.24Å
362	R	68	Low	61.9	Low	201 Å²	201	125.3 Å²	125.3	76%	0.758	65%	0.651	S	S	*	*	H	α-helix	trans	-67.7	-28.4	173.2	-88.8	-170.5	166.1	-167.3	-2	113.2	H358 L359	H358-R362 PolarHBondContact O-N 3.2Å; L359-R362 PolarHBondContact O-N 2.86Å
363	K	55.7	Low	58.8	Low	177 Å²	177	130.6 Å²	130.6	77%	0.77	67%	0.67	S	S	*	*	H	α-helix	trans	-90.4	-8	173.3	-70.7	-175.2	176.3	-179.1	0	113.7	L359 Y360 R361	L359-K363 WeakPolarHBondContact O-CB 3.38Å; L359-K363 WeakPolarHBondContact O-CG 3.39Å; L359-K363 PolarHBondContact O-N 3.32Å; Y360-K363 CarbonylContact O-C 3.47Å; Y360-K363 PolarHBondContact O-N 3.39Å; R361-K363 VanDerWaalsContact C-N 3.3Å; R361-K363 PolarHBondContact O-N 3.14Å
364	G	43.7	Very low	55.8	Low	46 Å²	46	137.4 Å²	137.4	47%	0.474	69%	0.691	S	S	.	*			trans	-88.6	4.2	-168.4	0	0	0	0	0	116.6	Y360 R361	Y360-G364 WeakPolarHBondContact O-CA 3.47Å; Y360-G364 PolarHBondContact O-N 3.42Å; R361-G364 PolarHBondContact O-N 3.24Å
365	L	41.1	Very low	52.9	Low	168 Å²	168	142.6 Å²	142.6	88%	0.88	71%	0.708	S	S	*	*	S	Bend	trans	-105.9	45.9	170.8	-137.4	87	0	0	0	112.2
366	K	36.7	Very low	49.7	Very low	175 Å²	175	149.3 Å²	149.3	76%	0.761	73%	0.727	S	S	*	*	S	Bend	trans	-135.8	121.4	153.9	-68.9	-169.2	179	-175.4	0	106.6	L368	K366-L368 PolarHBondContact O-N 3.46Å; K366-L368 VanDerWaalsContact O-N 3.14Å
367	P	36.1	Very low	47.1	Very low	125 Å²	125	152.4 Å²	152.4	81%	0.812	74%	0.743	S	S	*	*			trans	-57.9	123.2	-169.4	21.1	-30.1	0	0	0	109.9	V369	P367-V369 PolarHBondContact O-N 2.98Å
368	L	35.9	Very low	44.4	Very low	148 Å²	148	154 Å²	154	78%	0.775	75%	0.752	S	S	*	*			trans	-64.9	77.7	171.7	-84.7	159.8	0	0	0	109.4	K366	K366-L368 PolarHBondContact O-N 3.46Å; K366-L368 VanDerWaalsContact O-N 3.14Å
369	V	35.9	Very low	41.8	Very low	134 Å²	134	156.2 Å²	156.2	81%	0.812	77%	0.768	S	S	*	*			trans	-132.7	80.5	161.7	-175.3	0	0	0	0	106.5	P367	P367-V369 PolarHBondContact O-N 2.98Å
370	A	34.1	Very low	39.3	Very low	96 Å²	96	156.8 Å²	156.8	79%	0.793	78%	0.775	S	S	*	*			trans	169.2	65.3	157.5	0	0	0	0	0	111.2
371	K	31	Very low	37.1	Very low	202 Å²	202	154.3 Å²	154.3	88%	0.878	78%	0.779	S	S	*	*	S	Bend	trans	-129.7	131.1	146.6	-82.8	-171.8	174	-177.3	0	106.1
372	E	31.3	Very low	35.1	Very low	192 Å²	192	151.1 Å²	151.1	90%	0.897	78%	0.781	S	S	*	*	S	Bend	trans	88.3	29.4	179.5	-54.4	-171.1	157.2	0	0	119.7
373	K	28.6	Very low	33.3	Very low	202 Å²	202	149.1 Å²	149.1	88%	0.878	78%	0.779	S	S	*	*			trans	-129.7	71.1	151.2	-77.6	-171	179.6	178.9	0	111.5
374	F	27.7	Very low	32.3	Very low	196 Å²	196	146.9 Å²	146.9	86%	0.86	78%	0.775	S	S	*	*	S	Bend	trans	-128.3	104.4	155.7	-97.3	-87.2	0	0	0	108.8
375	L	31.5	Very low	32.2	Very low	151 Å²	151	150.5 Å²	150.5	79%	0.791	79%	0.787	S	S	*	*			trans	66.4	57.5	153.8	-56.1	166	0	0	0	117.1	V377	L375-V377 PolarHBondContact O-N 3.26Å
376	R	22.9	Very low	32.2	Very low	235 Å²	235	150.3 Å²	150.3	89%	0.887	78%	0.782	S	S	*	*			trans	-65	120.1	131	-86.7	-174.3	-177.5	171	2.4	105.8	P378	R376-P378 WeakPolarHBondContact O-CD 3.43Å
377	V	28.5	Very low	32	Very low	130 Å²	130	153 Å²	153	79%	0.788	79%	0.787	S	S	*	*			trans	-44.7	105.7	162.6	-179.7	0	0	0	0	106	L375 N379	L375-V377 PolarHBondContact O-N 3.26Å; V377-N379 PolarHBondContact O-N 3.04Å; V377-N379 VanDerWaalsContact O-N 3.14Å
378	P	26.1	Very low	31.9	Very low	95 Å²	95	150.9 Å²	150.9	62%	0.617	77%	0.772	S	S	*	*			trans	-64.8	124.1	176	-11.1	26.9	0	0	0	104.5	R376 V380	R376-P378 WeakPolarHBondContact O-CD 3.43Å; P378-V380 WeakPolarHBondContact O-CG2 3.41Å; P378-V380 PolarHBondContact O-N 3.44Å
379	N	28.2	Very low	32.2	Very low	156 Å²	156	146.5 Å²	146.5	83%	0.834	76%	0.757	S	S	*	*			trans	-48.6	100.2	158.5	-79.4	-20.8	0	0	0	105.4	V377 P381	V377-N379 PolarHBondContact O-N 3.04Å; V377-N379 VanDerWaalsContact O-N 3.14Å; N379-P381 WeakPolarHBondContact O-CD 3.48Å
380	V	29.5	Very low	32.2	Very low	107 Å²	107	147.7 Å²	147.7	65%	0.648	76%	0.759	S	S	*	*			trans	-60.8	108.1	-174.3	176.2	0	0	0	0	106.5	P378 T382 F383	P378-V380 WeakPolarHBondContact O-CG2 3.41Å; P378-V380 PolarHBondContact O-N 3.44Å; V380-T382 PolarHBondContact O-N 3.22Å; V380-F383 HydrophobicContact CG1-CB 4.22Å
381	P	31.5	Very low	32.3	Very low	108 Å²	108	148.1 Å²	148.1	70%	0.701	76%	0.756	S	S	*	*			trans	-74	114.1	155	5.7	16.4	0	0	0	103.6	N379 F383	N379-P381 WeakPolarHBondContact O-CD 3.48Å; P381-F383 PolarHBondContact O-N 3.31Å
382	T	33.4	Very low	32.4	Very low	129 Å²	129	143.8 Å²	143.8	79%	0.791	74%	0.741	S	S	*	*			trans	13.6	88.1	162.7	47.7	0	0	0	0	113.9	V380 D384	V380-T382 PolarHBondContact O-N 3.22Å; T382-D384 PolarHBondContact O-N 3.19Å
383	F	30.9	Very low	32.4	Very low	160 Å²	160	142.4 Å²	142.4	70%	0.702	74%	0.737	S	S	*	*			trans	-55.9	109.8	175.2	-169.5	-96.9	0	0	0	108	V380 P381 V385	V380-F383 HydrophobicContact CG1-CB 4.22Å; P381-F383 PolarHBondContact O-N 3.31Å; F383-V385 PolarHBondContact O-N 3.4Å
384	D	32.7	Very low	32.8	Very low	130 Å²	130	141.3 Å²	141.3	70%	0.695	74%	0.735	S	S	*	*			trans	-58.2	103	-176.8	-100.4	-35.7	0	0	0	110.5	T382 E386	T382-D384 PolarHBondContact O-N 3.19Å; D384-E386 PolarHBondContact O-N 3.03Å
385	V	42.4	Very low	33.5	Very low	121 Å²	121	136 Å²	136	73%	0.733	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-20.4	-178.7	175.1	0	0	0	0	111.9	F383 R387	F383-V385 PolarHBondContact O-N 3.4Å; V385-R387 PolarHBondContact O-N 3.44Å
386	E	40.4	Very low	34	Very low	164 Å²	164	132.6 Å²	132.6	77%	0.766	70%	0.701	S	S	*	*	H	α-helix	trans	-70.8	-29.4	-173	-77.9	-176.4	156	0	0	114.4	D384	D384-E386 PolarHBondContact O-N 3.03Å
387	R	34.5	Very low	35.5	Very low	232 Å²	232	126.1 Å²	126.1	88%	0.875	68%	0.683	S	S	*	*	H	α-helix	trans	-87.3	-10.5	-171.8	-141.9	175.5	179.5	164	0.8	115.1	V385	V385-R387 PolarHBondContact O-N 3.44Å
388	V	33.6	Very low	36.5	Very low	80 Å²	80	126.2 Å²	126.2	49%	0.485	68%	0.679	S	S	.	*	H	α-helix	trans	-95.5	-18.9	172.7	-179.9	0	0	0	0	111.5	D390 S391 I392	V388-D390 PolarHBondContact O-N 3.46Å; V388-S391 PolarHBondContact O-N 2.98Å; V388-I392 HydrophobicContact CG1-CD1 4.49Å; V388-I392 HydrophobicContact CG1-CG1 4.44Å; V388-I392 PolarHBondContact O-N 3.45Å
389	A	42.1	Very low	38	Very low	56 Å²	56	129 Å²	129	46%	0.463	68%	0.678	S	S	.	*	H	α-helix	trans	-59.1	-32.3	177.9	0	0	0	0	0	113	S391 I392	A389-S391 VanDerWaalsContact C-N 3.29Å; A389-S391 PolarHBondContact O-N 3.43Å; A389-I392 PolarHBondContact O-N 3.31Å
390	D	35.6	Very low	39.7	Very low	160 Å²	160	121.9 Å²	121.9	86%	0.856	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-9.4	-178.3	-75.3	-16.8	0	0	0	114.9	V388	V388-D390 PolarHBondContact O-N 3.46Å
391	S	35.6	Very low	41.8	Very low	105 Å²	105	119.4 Å²	119.4	73%	0.734	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	1.1	175	-169.9	0	0	0	0	113.8	V388 A389 M393	V388-S391 PolarHBondContact O-N 2.98Å; A389-S391 VanDerWaalsContact C-N 3.29Å; A389-S391 PolarHBondContact O-N 3.43Å; S391-M393 PolarHBondContact O-N 2.93Å
392	I	34	Very low	44	Very low	110 Å²	110	120.6 Å²	120.6	56%	0.564	62%	0.616	S	S	*	*			trans	-80.3	72.1	164.3	-50.8	166.9	0	0	0	105.9	V388 A389 E394	V388-I392 HydrophobicContact CG1-CD1 4.49Å; V388-I392 HydrophobicContact CG1-CG1 4.44Å; V388-I392 PolarHBondContact O-N 3.45Å; A389-I392 PolarHBondContact O-N 3.31Å; I392-E394 HydrophobicContact CG2-CG 4.29Å; I392-E394 PolarHBondContact O-N 3.07Å
393	M	31	Very low	46.3	Very low	164 Å²	164	120.1 Å²	120.1	81%	0.808	60%	0.604	S	S	*	*			trans	-56	106.3	146.1	-87.1	-175	76.4	0	0	103.9	S391 T395	S391-M393 PolarHBondContact O-N 2.93Å; M393-T395 PolarHBondContact O-N 2.89Å
394	E	37.2	Very low	48.8	Very low	178 Å²	178	113 Å²	113	83%	0.832	57%	0.574	S	S	*	*			trans	-55.3	92.5	167.3	-70.6	-179.4	160.9	0	0	106.2	I392 N396	I392-E394 HydrophobicContact CG2-CG 4.29Å; I392-E394 PolarHBondContact O-N 3.07Å; E394-N396 PolarHBondContact O-N 3.38Å
395	T	41	Very low	51.1	Low	86 Å²	86	108.8 Å²	108.8	53%	0.528	55%	0.554	S	S	.	*			trans	-67.1	90.4	169.3	40.5	0	0	0	0	104.8	M393 I397	M393-T395 PolarHBondContact O-N 2.89Å; T395-I397 PolarHBondContact O-N 2.81Å
396	N	42.5	Very low	53.2	Low	79 Å²	79	105.6 Å²	105.6	42%	0.422	53%	0.533	S	S	.	.			trans	-51.5	115.7	-179.2	170.9	1.9	0	0	0	107.3	E394 L398 Y399	E394-N396 PolarHBondContact O-N 3.38Å; N396-L398 PolarHBondContact O-N 3.32Å; N396-Y399 HydrophobicContact CB-CD2 3.75Å; N396-Y399 HydrophobicContact CB-CE2 3.95Å; N396-Y399 PolarHBondContact O-N 3.35Å
397	I	55	Low	55.2	Low	99 Å²	99	98.2 Å²	98.2	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-47.8	-29.2	-169.1	-65.5	169.2	0	0	0	111.9	T395 Y399 T400 E401 D421	T395-I397 PolarHBondContact O-N 2.81Å; I397-Y399 VanDerWaalsContact C-N 3.3Å; I397-Y399 PolarHBondContact O-N 3.28Å; I397-T400 PolarHBondContact O-N 3.29Å; I397-E401 WeakPolarHBondContact O-CG 3.4Å; I397-E401 PolarHBondContact O-N 3.28Å; I397-D421 HydrophobicContact CG1-CB 4.49Å
398	L	48.4	Very low	57.6	Low	132 Å²	132	90.7 Å²	90.7	69%	0.691	48%	0.475	S	S	*	.	H	α-helix	trans	-60	-32.3	176	-65.1	171.7	0	0	0	114.1	N396 K402	N396-L398 PolarHBondContact O-N 3.32Å; L398-K402 PolarHBondContact O-N 2.85Å
399	Y	59.2	Low	60	Low	154 Å²	154	95.9 Å²	95.9	60%	0.604	49%	0.486	S	S	*	.	H	α-helix	trans	-74.5	-44.5	176.7	-68	-78.1	0	0	0	111.5	N396 I397 E401 K402 E403	N396-Y399 HydrophobicContact CB-CD2 3.75Å; N396-Y399 HydrophobicContact CB-CE2 3.95Å; N396-Y399 PolarHBondContact O-N 3.35Å; I397-Y399 VanDerWaalsContact C-N 3.3Å; I397-Y399 PolarHBondContact O-N 3.28Å; Y399-E401 VanDerWaalsContact C-N 3.27Å; Y399-E401 PolarHBondContact O-N 3.45Å; Y399-K402 WeakPolarHBondContact O-CB 3.49Å; Y399-K402 PolarHBondContact O-N 2.94Å; Y399-E403 WeakPolarHBondContact O-CG 3.39Å; Y399-E403 PolarHBondContact O-N 3.42Å
400	T	62.9	Low	62.1	Low	5 Å²	5	99.4 Å²	99.4	3%	0.031	50%	0.496	C	S	.	.	H	α-helix	trans	-60.5	-38.7	-179.8	-34.3	0	0	0	0	111.6	I397 K402 E403 I404 S419 D421	I397-T400 PolarHBondContact O-N 3.29Å; T400-K402 PolarHBondContact O-N 3.41Å; T400-E403 PolarHBondContact O-N 2.72Å; T400-I404 WeakPolarHBondContact O-CG1 3.49Å; T400-I404 PolarHBondContact O-N 3Å; T400-I404 VanDerWaalsContact O-N 3.09Å; T400-S419 VanDerWaalsContact CG2-OG 3.28Å; T400-S419 WeakPolarHBondContact CG2-OG 3.48Å; T400-D421 PolarHBondContact OG1-OD2 2.99Å
401	E	74.3	Confident	64.3	Low	56 Å²	56	94.8 Å²	94.8	26%	0.262	49%	0.486	S	S	.	.	H	α-helix	trans	-64.4	-38.2	174.3	-69.3	-59.9	148.8	0	0	113.2	I397 Y399 S405 R422	I397-E401 WeakPolarHBondContact O-CG 3.4Å; I397-E401 PolarHBondContact O-N 3.28Å; Y399-E401 VanDerWaalsContact C-N 3.27Å; Y399-E401 PolarHBondContact O-N 3.45Å; E401-S405 WeakPolarHBondContact O-CB 3.43Å; E401-S405 PolarHBondContact O-N 2.91Å; E401-R422 IonicContact OE1-CZ 3.31Å; E401-R422 IonicContact OE1-NE 3.91Å; E401-R422 PolarHBondContact OE1-NE 2.78Å; E401-R422 IonicContact OE1-NH2 2.66Å; E401-R422 PolarHBondContact OE1-NH2 2.84Å; E401-R422 IonicContact OE2-CZ 2.76Å; E401-R422 IonicContact OE2-NH2 3.47Å; E401-R422 PolarHBondContact OE2-NH2 2.82Å
402	K	76.7	Confident	66.4	Low	133 Å²	133	95.6 Å²	95.6	58%	0.578	48%	0.482	S	S	*	.	H	α-helix	trans	-66.2	-42.7	176.7	-173.2	-177	175.1	-171.6	0	110.8	L398 Y399 T400 I404 S405 D406	L398-K402 PolarHBondContact O-N 2.85Å; Y399-K402 WeakPolarHBondContact O-CB 3.49Å; Y399-K402 PolarHBondContact O-N 2.94Å; T400-K402 PolarHBondContact O-N 3.41Å; K402-I404 PolarHBondContact O-N 3.14Å; K402-S405 PolarHBondContact O-N 2.83Å; K402-D406 WeakPolarHBondContact O-CB 3.06Å; K402-D406 VanDerWaalsContact O-CG 3.3Å; K402-D406 PolarHBondContact O-N 3.48Å
403	E	81.7	Confident	68.9	Low	118 Å²	118	91.4 Å²	91.4	55%	0.551	46%	0.461	S	S	*	.	H	α-helix	trans	-60.7	-43.8	177	-70.3	175	174.4	0	0	112.1	Y399 T400 D406 A407	Y399-E403 WeakPolarHBondContact O-CG 3.39Å; Y399-E403 PolarHBondContact O-N 3.42Å; T400-E403 PolarHBondContact O-N 2.72Å; E403-D406 PolarHBondContact O-N 3.2Å; E403-A407 VanDerWaalsContact O-CB 3.28Å; E403-A407 WeakPolarHBondContact O-CB 3.46Å; E403-A407 PolarHBondContact O-N 3.5Å
404	I	83.2	Confident	71.6	Confident	12 Å²	12	86.1 Å²	86.1	6%	0.062	44%	0.436	C	S	.	.	H	α-helix	trans	-64.6	-44	175.5	-65.4	164.4	0	0	0	110.5	T400 K402 D406 A407 Q408 E417 I418 L496	T400-I404 WeakPolarHBondContact O-CG1 3.49Å; T400-I404 PolarHBondContact O-N 3Å; T400-I404 VanDerWaalsContact O-N 3.09Å; K402-I404 PolarHBondContact O-N 3.14Å; I404-D406 VanDerWaalsContact C-N 3.34Å; I404-D406 PolarHBondContact O-N 2.8Å; I404-A407 PolarHBondContact O-N 2.77Å; I404-Q408 HydrophobicContact CG2-CG 4.42Å; I404-Q408 WeakPolarHBondContact O-CB 3.17Å; I404-Q408 VanDerWaalsContact O-CG 3.29Å; I404-Q408 WeakPolarHBondContact O-CG 3.47Å; I404-Q408 PolarHBondContact O-N 3.45Å; I404-E417 HydrophobicContact CG1-CG 4.47Å; I404-E417 HydrophobicContact CG2-CB 4.18Å; I404-E417 HydrophobicContact CG2-CG 4.14Å; I404-I418 VanDerWaalsContact CD1-C 3.47Å; I404-L496 HydrophobicContact CG1-CD1 4.36Å
405	S	82.1	Confident	74	Confident	41 Å²	41	85.3 Å²	85.3	29%	0.287	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-40.6	178.1	-171.7	0	0	0	0	112.2	E401 K402 Q408 R409	E401-S405 WeakPolarHBondContact O-CB 3.43Å; E401-S405 PolarHBondContact O-N 2.91Å; K402-S405 PolarHBondContact O-N 2.83Å; S405-Q408 PolarHBondContact O-N 2.79Å; S405-R409 VanDerWaalsContact O-CG 3.3Å; S405-R409 WeakPolarHBondContact O-CG 3.49Å; S405-R409 PolarHBondContact O-N 3.09Å
406	D	85.5	Confident	76.3	Confident	54 Å²	54	82.6 Å²	82.6	29%	0.289	41%	0.413	S	S	.	.	H	α-helix	trans	-69.9	-40.2	177	-70.8	-22.1	0	0	0	110.7	K402 E403 I404 Q408 R409 L410	K402-D406 WeakPolarHBondContact O-CB 3.06Å; K402-D406 VanDerWaalsContact O-CG 3.3Å; K402-D406 PolarHBondContact O-N 3.48Å; E403-D406 PolarHBondContact O-N 3.2Å; I404-D406 VanDerWaalsContact C-N 3.34Å; I404-D406 PolarHBondContact O-N 2.8Å; D406-Q408 VanDerWaalsContact C-N 3.34Å; D406-Q408 PolarHBondContact O-N 2.9Å; D406-R409 PolarHBondContact O-N 3.31Å; D406-R409 IonicContact OD1-NH1 3.27Å; D406-R409 PolarHBondContact OD1-NH1 2.84Å; D406-R409 VanDerWaalsContact OD1-NH1 3.09Å; D406-L410 WeakPolarHBondContact O-CB 3.45Å; D406-L410 VanDerWaalsContact O-CG 3.24Å; D406-L410 WeakPolarHBondContact O-CG 3.49Å; D406-L410 PolarHBondContact O-N 3.27Å
407	A	82.6	Confident	78.8	Confident	9 Å²	9	79.3 Å²	79.3	7%	0.074	40%	0.395	C	S	.	.	H	α-helix	trans	-61.4	-40.2	172.6	0	0	0	0	0	112.4	E403 I404 L410 G411 L412 T413 L496	E403-A407 VanDerWaalsContact O-CB 3.28Å; E403-A407 WeakPolarHBondContact O-CB 3.46Å; E403-A407 PolarHBondContact O-N 3.5Å; I404-A407 PolarHBondContact O-N 2.77Å; A407-L410 PolarHBondContact O-N 3.5Å; A407-G411 PolarHBondContact O-N 2.94Å; A407-G411 VanDerWaalsContact O-N 3.17Å; A407-L412 HydrophobicContact CB-CB 4.22Å; A407-L412 WeakPolarHBondContact O-CB 3.36Å; A407-L412 PolarHBondContact O-N 3.23Å; A407-T413 HydrophobicContact CB-CG2 3.95Å; A407-L496 HydrophobicContact CB-CD1 3.73Å
408	Q	85.3	Confident	80.4	Confident	73 Å²	73	75.1 Å²	75.1	34%	0.341	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-43.8	174.3	-75.2	173.4	-9.9	0	0	111.8	I404 S405 D406 L410 G411 T413 D414	I404-Q408 HydrophobicContact CG2-CG 4.42Å; I404-Q408 WeakPolarHBondContact O-CB 3.17Å; I404-Q408 VanDerWaalsContact O-CG 3.29Å; I404-Q408 WeakPolarHBondContact O-CG 3.47Å; I404-Q408 PolarHBondContact O-N 3.45Å; S405-Q408 PolarHBondContact O-N 2.79Å; D406-Q408 VanDerWaalsContact C-N 3.34Å; D406-Q408 PolarHBondContact O-N 2.9Å; Q408-L410 VanDerWaalsContact C-N 3.27Å; Q408-L410 PolarHBondContact O-N 3.1Å; Q408-G411 PolarHBondContact O-N 3.24Å; Q408-T413 WeakPolarHBondContact CA-O 3.45Å; Q408-T413 HydrophobicContact CB-CG2 4.47Å; Q408-T413 HydrophobicContact CG-CG2 3.54Å; Q408-D414 PolarHBondContact NE2-O 3.47Å
409	R	83.5	Confident	82.2	Confident	189 Å²	189	68.9 Å²	68.9	71%	0.713	34%	0.342	S	S	*	.	H	α-helix	trans	-62.6	-34.9	175.9	-74.5	169.8	-179.8	164	-1.1	112.7	S405 D406 G411	S405-R409 VanDerWaalsContact O-CG 3.3Å; S405-R409 WeakPolarHBondContact O-CG 3.49Å; S405-R409 PolarHBondContact O-N 3.09Å; D406-R409 PolarHBondContact O-N 3.31Å; D406-R409 IonicContact OD1-NH1 3.27Å; D406-R409 PolarHBondContact OD1-NH1 2.84Å; D406-R409 VanDerWaalsContact OD1-NH1 3.09Å; R409-G411 PolarHBondContact O-N 3.41Å
410	L	86.3	Confident	83.5	Confident	130 Å²	130	64.7 Å²	64.7	68%	0.681	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.4	175.5	-67.2	170.4	0	0	0	112.9	D406 A407 Q408 L412	D406-L410 WeakPolarHBondContact O-CB 3.45Å; D406-L410 VanDerWaalsContact O-CG 3.24Å; D406-L410 WeakPolarHBondContact O-CG 3.49Å; D406-L410 PolarHBondContact O-N 3.27Å; A407-L410 PolarHBondContact O-N 3.5Å; Q408-L410 VanDerWaalsContact C-N 3.27Å; Q408-L410 PolarHBondContact O-N 3.1Å; L410-L412 HydrophobicContact CB-CD1 4.1Å; L410-L412 HydrophobicContact CB-CG 3.94Å; L410-L412 HydrophobicContact CD1-CD1 4.17Å; L410-L412 PolarHBondContact O-N 2.88Å
411	G	81.9	Confident	84.6	Confident	63 Å²	63	67.5 Å²	67.5	65%	0.649	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	15.4	-177.1	0	0	0	0	0	113.9	A407 Q408 R409 T413	A407-G411 PolarHBondContact O-N 2.94Å; A407-G411 VanDerWaalsContact O-N 3.17Å; Q408-G411 PolarHBondContact O-N 3.24Å; R409-G411 PolarHBondContact O-N 3.41Å; G411-T413 VanDerWaalsContact C-N 3.31Å
412	L	80.8	Confident	85.1	Confident	123 Å²	123	67.2 Å²	67.2	64%	0.644	34%	0.336	S	S	*	.	S	Bend	trans	-76	-23.2	177.6	-63.1	176	0	0	0	112.1	A407 L410	A407-L412 HydrophobicContact CB-CB 4.22Å; A407-L412 WeakPolarHBondContact O-CB 3.36Å; A407-L412 PolarHBondContact O-N 3.23Å; L410-L412 HydrophobicContact CB-CD1 4.1Å; L410-L412 HydrophobicContact CB-CG 3.94Å; L410-L412 HydrophobicContact CD1-CD1 4.17Å; L410-L412 PolarHBondContact O-N 2.88Å
413	T	84.8	Confident	85.5	Confident	21 Å²	21	61.6 Å²	61.6	13%	0.129	31%	0.312	C	S	.	.	S	Bend	trans	-149.2	168.3	176	-161.3	0	0	0	0	111.3	A407 Q408 G411 E417 L496	A407-T413 HydrophobicContact CB-CG2 3.95Å; Q408-T413 WeakPolarHBondContact CA-O 3.45Å; Q408-T413 HydrophobicContact CB-CG2 4.47Å; Q408-T413 HydrophobicContact CG-CG2 3.54Å; G411-T413 VanDerWaalsContact C-N 3.31Å; T413-E417 HydrophobicContact CG2-CB 3.71Å; T413-E417 HydrophobicContact CG2-CG 3.91Å; T413-E417 VanDerWaalsContact OG1-CB 3.26Å; T413-E417 WeakPolarHBondContact OG1-CB 3.47Å; T413-L496 HydrophobicContact CG2-CD1 4.12Å
414	D	89.1	Confident	85.7	Confident	53 Å²	53	59.2 Å²	59.2	28%	0.283	31%	0.306	S	S	.	.			trans	-107.3	-176.8	179.7	66.1	34.9	0	0	0	112.4	Q408 F416 E417 K479	Q408-D414 PolarHBondContact NE2-O 3.47Å; D414-F416 PolarHBondContact O-N 3.41Å; D414-F416 VanDerWaalsContact O-N 3.16Å; D414-F416 WeakPolarHBondContact OD1-CA 3.36Å; D414-F416 VanDerWaalsContact OD1-CB 3.25Å; D414-F416 WeakPolarHBondContact OD1-CB 3.03Å; D414-F416 PolarHBondContact OD1-N 2.66Å; D414-E417 WeakPolarHBondContact O-CB 3.25Å; D414-E417 PolarHBondContact O-N 2.79Å; D414-K479 IonicContact OD1-NZ 3.65Å; D414-K479 VanDerWaalsContact OD2-CD 3.26Å; D414-K479 WeakPolarHBondContact OD2-CD 3.4Å; D414-K479 WeakPolarHBondContact OD2-CE 3.5Å; D414-K479 IonicContact OD2-NZ 3.39Å; D414-K479 PolarHBondContact OD2-NZ 2.71Å
415	Q	86.7	Confident	85.6	Confident	162 Å²	162	61.6 Å²	61.6	76%	0.757	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.7	-179	69.7	-149.8	20.1	0	0	115.2
416	F	90.9	Very high	85.4	Confident	29 Å²	29	61.6 Å²	61.6	13%	0.127	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-14.6	175.9	-69.2	-93	0	0	0	112.5	D414 I418 R446 K479 M490 G492 C493	D414-F416 PolarHBondContact O-N 3.41Å; D414-F416 VanDerWaalsContact O-N 3.16Å; D414-F416 WeakPolarHBondContact OD1-CA 3.36Å; D414-F416 VanDerWaalsContact OD1-CB 3.25Å; D414-F416 WeakPolarHBondContact OD1-CB 3.03Å; D414-F416 PolarHBondContact OD1-N 2.66Å; F416-I418 PolarHBondContact O-N 2.94Å; F416-R446 VanDerWaalsContact CE1-NH2 3.34Å; F416-K479 HydrophobicContact CD2-CD 4.05Å; F416-K479 HydrophobicContact CD2-CG 3.84Å; F416-K479 HydrophobicContact CE2-CB 4.22Å; F416-K479 HydrophobicContact CE2-CD 4.46Å; F416-K479 HydrophobicContact CE2-CG 3.92Å; F416-K479 HydrophobicContact CG-CG 4.16Å; F416-K479 HydrophobicContact CZ-CB 4.49Å; F416-K479 HydrophobicContact CZ-CG 4.29Å; F416-M490 HydrophobicContact CB-CE 3.67Å; F416-M490 HydrophobicContact CD1-CE 3.51Å; F416-M490 HydrophobicContact CE1-CE 4.21Å; F416-M490 HydrophobicContact CG-CE 3.7Å; F416-G492 CarbonylContact O-C 3.55Å; F416-G492 WeakPolarHBondContact O-CA 3.37Å; F416-C493 PolarHBondContact O-N 3.12Å
417	E	93.1	Very high	85.2	Confident	9 Å²	9	66.4 Å²	66.4	4%	0.042	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-66	132.2	176.8	-166.3	67.3	-167.2	0	0	111.1	I404 T413 D414 C493 T495 L496	I404-E417 HydrophobicContact CG1-CG 4.47Å; I404-E417 HydrophobicContact CG2-CB 4.18Å; I404-E417 HydrophobicContact CG2-CG 4.14Å; T413-E417 HydrophobicContact CG2-CB 3.71Å; T413-E417 HydrophobicContact CG2-CG 3.91Å; T413-E417 VanDerWaalsContact OG1-CB 3.26Å; T413-E417 WeakPolarHBondContact OG1-CB 3.47Å; D414-E417 WeakPolarHBondContact O-CB 3.25Å; D414-E417 PolarHBondContact O-N 2.79Å; E417-C493 WeakPolarHBondContact CA-O 3.49Å; E417-T495 PolarHBondContact OE1-N 3.41Å; E417-T495 PolarHBondContact OE2-N 3.15Å; E417-T495 PolarHBondContact OE2-OG1 3.34Å; E417-L496 HydrophobicContact CG-CD1 3.92Å; E417-L496 HydrophobicContact CG-CG 4.06Å; E417-L496 WeakPolarHBondContact OE1-CG 3.49Å; E417-L496 PolarHBondContact OE1-N 2.96Å
418	I	89.7	Confident	84.9	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.062	35%	0.354	C	S	.	.			trans	-132.4	157.5	178	62	169.8	0	0	0	110.6	I404 F416 L423 C493 V494 V503	I404-I418 VanDerWaalsContact CD1-C 3.47Å; F416-I418 PolarHBondContact O-N 2.94Å; I418-L423 HydrophobicContact CD1-CD2 3.88Å; I418-L423 HydrophobicContact CD1-CG 4.4Å; I418-C493 WeakPolarHBondContact CG1-O 3.3Å; I418-C493 PolarHBondContact N-O 3.31Å; I418-V494 HydrophobicContact CG1-CG2 4.05Å; I418-V503 HydrophobicContact CD1-CG2 3.9Å
419	S	86.6	Confident	84.4	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.007	35%	0.354	C	S	.	.			trans	-68.4	138.4	173.6	167.9	0	0	0	0	110.8	T400 D421 R422	T400-S419 VanDerWaalsContact CG2-OG 3.28Å; T400-S419 WeakPolarHBondContact CG2-OG 3.48Å; S419-D421 PolarHBondContact O-N 2.85Å; S419-D421 WeakPolarHBondContact OG-CB 3.46Å; S419-D421 PolarHBondContact OG-N 3.19Å; S419-D421 VanDerWaalsContact OG-N 3.12Å; S419-D421 PolarHBondContact OG-OD2 2.81Å; S419-R422 WeakPolarHBondContact O-CB 3.38Å; S419-R422 PolarHBondContact O-N 2.75Å; S419-R422 VanDerWaalsContact O-N 3.12Å
420	Y	86.7	Confident	83.8	Confident	66 Å²	66	61.4 Å²	61.4	26%	0.259	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-57.6	-33.5	172.5	-170.4	-91	0	0	0	111.8	R422 L423 F425 V494 P499	Y420-R422 PolarHBondContact O-N 2.84Å; Y420-R422 VanDerWaalsContact O-N 3.13Å; Y420-L423 WeakPolarHBondContact O-CB 3.37Å; Y420-L423 PolarHBondContact O-N 2.82Å; Y420-F425 HydrophobicContact CE1-CE2 4.31Å; Y420-F425 AromaticContact CE2-CE2 3.94Å; Y420-F425 HydrophobicContact CE2-CE2 3.94Å; Y420-F425 AromaticContact CE2-CZ 3.95Å; Y420-F425 HydrophobicContact CE2-CZ 3.95Å; Y420-F425 AromaticContact CZ-CE2 3.64Å; Y420-F425 WeakPolarHBondContact OH-CE2 3.29Å; Y420-V494 HydrophobicContact CD2-CG1 4.25Å; Y420-V494 HydrophobicContact CD2-CG2 4.47Å; Y420-P499 HydrophobicContact CE2-CG 4.26Å
421	D	84.8	Confident	83.1	Confident	64 Å²	64	62.8 Å²	62.8	34%	0.342	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.2	-18.3	179.3	-56.5	-39.8	0	0	0	113.2	I397 T400 S419 L423	I397-D421 HydrophobicContact CG1-CB 4.49Å; T400-D421 PolarHBondContact OG1-OD2 2.99Å; S419-D421 PolarHBondContact O-N 2.85Å; S419-D421 WeakPolarHBondContact OG-CB 3.46Å; S419-D421 PolarHBondContact OG-N 3.19Å; S419-D421 VanDerWaalsContact OG-N 3.12Å; S419-D421 PolarHBondContact OG-OD2 2.81Å; D421-L423 PolarHBondContact O-N 3.27Å
422	R	84.7	Confident	82.3	Confident	50 Å²	50	60.9 Å²	60.9	19%	0.189	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-75.9	-10.4	174.3	-64.5	179.9	176.8	-154.2	9.1	112.7	E401 S419 Y420 A442 N443 S444	E401-R422 IonicContact OE1-CZ 3.31Å; E401-R422 IonicContact OE1-NE 3.91Å; E401-R422 PolarHBondContact OE1-NE 2.78Å; E401-R422 IonicContact OE1-NH2 2.66Å; E401-R422 PolarHBondContact OE1-NH2 2.84Å; E401-R422 IonicContact OE2-CZ 2.76Å; E401-R422 IonicContact OE2-NH2 3.47Å; E401-R422 PolarHBondContact OE2-NH2 2.82Å; S419-R422 WeakPolarHBondContact O-CB 3.38Å; S419-R422 PolarHBondContact O-N 2.75Å; S419-R422 VanDerWaalsContact O-N 3.12Å; Y420-R422 PolarHBondContact O-N 2.84Å; Y420-R422 VanDerWaalsContact O-N 3.13Å; R422-A442 WeakPolarHBondContact O-CA 3.43Å; R422-N443 PolarHBondContact O-N 3.09Å; R422-S444 PolarHBondContact NH1-O 3.3Å
423	L	86.6	Confident	81.7	Confident	14 Å²	14	58.3 Å²	58.3	7%	0.073	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.6	-175.3	-57.3	-178.4	0	0	0	111.8	I418 Y420 D421 F425 F441 A442 I456 V494 C501 V503	I418-L423 HydrophobicContact CD1-CD2 3.88Å; I418-L423 HydrophobicContact CD1-CG 4.4Å; Y420-L423 WeakPolarHBondContact O-CB 3.37Å; Y420-L423 PolarHBondContact O-N 2.82Å; D421-L423 PolarHBondContact O-N 3.27Å; L423-F425 HydrophobicContact CB-CD2 4.5Å; L423-F425 HydrophobicContact CB-CE2 3.96Å; L423-F425 HydrophobicContact CD1-CZ 4.48Å; L423-F441 CarbonylContact C-O 3.51Å; L423-F441 WeakPolarHBondContact CA-O 3.28Å; L423-A442 HydrophobicContact CD2-CB 3.64Å; L423-I456 HydrophobicContact CB-CD1 4.27Å; L423-I456 HydrophobicContact CD1-CG2 4.39Å; L423-I456 HydrophobicContact CD2-CD1 4.36Å; L423-V494 HydrophobicContact CD1-CG2 3.87Å; L423-C501 HydrophobicContact CD1-CB 4.38Å; L423-V503 HydrophobicContact CD1-CG2 3.97Å; L423-V503 HydrophobicContact CD2-CG1 4.45Å; L423-V503 HydrophobicContact CD2-CG2 3.85Å
424	T	84.6	Confident	80.9	Confident	69 Å²	69	58.2 Å²	58.2	42%	0.423	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117	169.4	-51.2	0	0	0	0	108.7	G440 F441	T424-G440 CarbonylContact O-C 3.45Å; T424-G440 WeakPolarHBondContact O-CA 3.13Å; T424-F441 PolarHBondContact N-O 2.96Å; T424-F441 PolarHBondContact O-N 3.5Å
425	F	81.9	Confident	80.3	Confident	61 Å²	61	55.8 Å²	55.8	27%	0.268	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.4	-177.5	-69.6	-105.9	0	0	0	110.8	Y420 L423 Y438 I456	Y420-F425 HydrophobicContact CE1-CE2 4.31Å; Y420-F425 AromaticContact CE2-CE2 3.94Å; Y420-F425 HydrophobicContact CE2-CE2 3.94Å; Y420-F425 AromaticContact CE2-CZ 3.95Å; Y420-F425 HydrophobicContact CE2-CZ 3.95Å; Y420-F425 AromaticContact CZ-CE2 3.64Å; Y420-F425 WeakPolarHBondContact OH-CE2 3.29Å; L423-F425 HydrophobicContact CB-CD2 4.5Å; L423-F425 HydrophobicContact CB-CE2 3.96Å; L423-F425 HydrophobicContact CD1-CZ 4.48Å; F425-Y438 HydrophobicContact CD1-CD1 4.28Å; F425-Y438 AromaticContact CD1-CD2 3.72Å; F425-Y438 HydrophobicContact CD1-CD2 3.72Å; F425-Y438 HydrophobicContact CD1-CE2 4.22Å; F425-Y438 AromaticContact CD1-CG 3.74Å; F425-Y438 HydrophobicContact CD1-CG 3.74Å; F425-Y438 AromaticContact CE1-CD2 3.96Å; F425-Y438 HydrophobicContact CE1-CD2 3.96Å; F425-Y438 HydrophobicContact CE1-CE2 4.36Å; F425-Y438 HydrophobicContact CE1-CG 4.42Å; F425-I456 HydrophobicContact CD1-CD1 4.2Å; F425-I456 HydrophobicContact CD1-CG2 4.44Å; F425-I456 HydrophobicContact CE1-CB 4.13Å; F425-I456 HydrophobicContact CE1-CD1 4.18Å; F425-I456 HydrophobicContact CE1-CG2 3.56Å; F425-I456 HydrophobicContact CE2-CD1 4.48Å; F425-I456 HydrophobicContact CG-CD1 4.37Å; F425-I456 HydrophobicContact CZ-CD1 4.31Å; F425-I456 HydrophobicContact CZ-CG2 3.79Å
426	G	78	Confident	80.2	Confident	41 Å²	41	50.8 Å²	50.8	42%	0.423	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-145.4	171.2	0	0	0	0	0	111.6	I439	G426-I439 CarbonylContact C-O 3.48Å; G426-I439 WeakPolarHBondContact CA-O 3.45Å; G426-I439 PolarHBondContact N-O 3.27Å
427	R	80.5	Confident	79.9	Confident	155 Å²	155	50.5 Å²	50.5	59%	0.585	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	153.9	179.8	65.2	175.3	-177.2	155.2	2.2	112.3	I429 Y438 I439	R427-I429 HydrophobicContact CG-CG2 4.3Å; R427-I429 PolarHBondContact O-N 2.85Å; R427-Y438 WeakPolarHBondContact O-CA 3.5Å; R427-I439 HydrophobicContact CG-CG2 3.51Å; R427-I439 WeakPolarHBondContact O-CG2 3.39Å; R427-I439 PolarHBondContact O-N 3.38Å
428	V	76.1	Confident	79.4	Confident	71 Å²	71	52 Å²	52	43%	0.43	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.1	166.8	179.7	0	0	0	0	109	G430 L436 V437 Y438	V428-G430 WeakPolarHBondContact CG1-O 3.38Å; V428-L436 HydrophobicContact CG1-CD2 4.06Å; V428-L436 HydrophobicContact CG2-CD1 4.33Å; V428-V437 CarbonylContact C-O 3.58Å; V428-V437 WeakPolarHBondContact CA-O 3.5Å; V428-Y438 HydrophobicContact CG2-CD1 3.72Å; V428-Y438 HydrophobicContact CG2-CE1 3.42Å; V428-Y438 VanDerWaalsContact CG2-CE1 3.42Å
429	I	74.5	Confident	79.1	Confident	68 Å²	68	53 Å²	53	35%	0.349	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-15.6	176.1	58.9	173	0	0	0	112.9	R427 V437 I439 A455 Y506	R427-I429 HydrophobicContact CG-CG2 4.3Å; R427-I429 PolarHBondContact O-N 2.85Å; I429-V437 HydrophobicContact CD1-CG1 3.98Å; I429-V437 HydrophobicContact CG1-CB 4.22Å; I429-V437 HydrophobicContact CG1-CG1 3.83Å; I429-V437 WeakPolarHBondContact CG1-O 3.29Å; I429-V437 PolarHBondContact N-O 3.47Å; I429-I439 HydrophobicContact CD1-CB 4.29Å; I429-I439 HydrophobicContact CG2-CB 3.73Å; I429-I439 HydrophobicContact CG2-CG2 3.91Å; I429-A455 HydrophobicContact CD1-CB 4.19Å; I429-Y506 HydrophobicContact CD1-CD2 3.88Å; I429-Y506 HydrophobicContact CD1-CE2 3.84Å
430	G	71	Confident	78.9	Confident	27 Å²	27	53.1 Å²	53.1	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	166.5	178	0	0	0	0	0	112.6	V428 V437	V428-G430 WeakPolarHBondContact CG1-O 3.38Å; G430-V437 PolarHBondContact N-O 3.42Å; G430-V437 PolarHBondContact O-N 2.95Å
431	Q	72.5	Confident	78.7	Confident	160 Å²	160	53.9 Å²	53.9	75%	0.748	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	118.8	173.3	-177.1	174.7	10.9	0	0	107.8	L436	Q431-L436 HydrophobicContact CB-CD2 4.16Å; Q431-L436 HydrophobicContact CG-CD2 4.04Å
432	G	65.3	Low	78.6	Confident	23 Å²	23	50.8 Å²	50.8	24%	0.237	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-178.7	178.1	0	0	0	0	0	112.2	F434 G435	G432-F434 VanDerWaalsContact C-N 3.26Å; G432-F434 PolarHBondContact O-N 3.12Å; G432-G435 PolarHBondContact N-O 3.13Å; G432-G435 PolarHBondContact O-N 3.3Å
433	A	67.6	Low	78.2	Confident	69 Å²	69	51.1 Å²	51.1	57%	0.57	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-42.2	176.6	0	0	0	0	0	112.4	K460	A433-K460 PolarHBondContact O-NZ 2.96Å
434	F	69.1	Low	77.5	Confident	19 Å²	19	53.1 Å²	53.1	8%	0.083	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.2	-173.2	-52.3	-61.5	0	0	0	114.8	G432 I459 K460 A470 F471 E474	G432-F434 VanDerWaalsContact C-N 3.26Å; G432-F434 PolarHBondContact O-N 3.12Å; F434-I459 HydrophobicContact CB-CG1 4.46Å; F434-I459 CarbonylContact O-C 3.49Å; F434-I459 WeakPolarHBondContact O-CA 3.3Å; F434-K460 WeakPolarHBondContact O-CG 3.37Å; F434-K460 PolarHBondContact O-N 3.12Å; F434-A470 HydrophobicContact CE1-CB 3.59Å; F434-A470 HydrophobicContact CZ-CB 3.79Å; F434-F471 HydrophobicContact CB-CD2 4.07Å; F434-F471 AromaticContact CD2-CD2 3.97Å; F434-F471 HydrophobicContact CD2-CD2 3.97Å; F434-F471 HydrophobicContact CG-CB 4.39Å; F434-F471 HydrophobicContact CG-CD2 4.12Å; F434-E474 WeakPolarHBondContact CD2-OE2 3.46Å; F434-E474 WeakPolarHBondContact CE2-OE2 3.17Å
435	G	75.9	Confident	76.9	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-144.1	-175.7	0	0	0	0	0	114.5	G432 Q458	G432-G435 PolarHBondContact N-O 3.13Å; G432-G435 PolarHBondContact O-N 3.3Å; G435-Q458 WeakPolarHBondContact CA-O 2.89Å
436	L	84.3	Confident	76.1	Confident	57 Å²	57	53.5 Å²	53.5	30%	0.298	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.7	-173.6	-65.3	173.1	0	0	0	110.7	V428 Q431 Y438 Q458	V428-L436 HydrophobicContact CG1-CD2 4.06Å; V428-L436 HydrophobicContact CG2-CD1 4.33Å; Q431-L436 HydrophobicContact CB-CD2 4.16Å; Q431-L436 HydrophobicContact CG-CD2 4.04Å; L436-Y438 HydrophobicContact CB-CD2 4.31Å; L436-Y438 HydrophobicContact CB-CE2 3.6Å; L436-Y438 VanDerWaalsContact CD1-OH 3.29Å; L436-Y438 WeakPolarHBondContact CD1-OH 3.43Å; L436-Q458 PolarHBondContact N-O 3.19Å; L436-Q458 PolarHBondContact O-N 2.86Å
437	V	84.9	Confident	75.4	Confident	23 Å²	23	59.1 Å²	59.1	14%	0.139	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.9	171.5	-171.9	0	0	0	0	107.7	V428 I429 G430 A455 I456 K457	V428-V437 CarbonylContact C-O 3.58Å; V428-V437 WeakPolarHBondContact CA-O 3.5Å; I429-V437 HydrophobicContact CD1-CG1 3.98Å; I429-V437 HydrophobicContact CG1-CB 4.22Å; I429-V437 HydrophobicContact CG1-CG1 3.83Å; I429-V437 WeakPolarHBondContact CG1-O 3.29Å; I429-V437 PolarHBondContact N-O 3.47Å; G430-V437 PolarHBondContact N-O 3.42Å; G430-V437 PolarHBondContact O-N 2.95Å; V437-A455 HydrophobicContact CG1-CB 4.25Å; V437-I456 CarbonylContact C-O 3.48Å; V437-I456 WeakPolarHBondContact CA-O 3.33Å; V437-K457 HydrophobicContact CG2-CB 4.31Å; V437-K457 HydrophobicContact CG2-CG 4.08Å
438	Y	82	Confident	74.2	Confident	41 Å²	41	58.7 Å²	58.7	16%	0.161	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.7	178	-58.3	-95.7	0	0	0	109.9	F425 R427 V428 L436 A455 I456 Q458	F425-Y438 HydrophobicContact CD1-CD1 4.28Å; F425-Y438 AromaticContact CD1-CD2 3.72Å; F425-Y438 HydrophobicContact CD1-CD2 3.72Å; F425-Y438 HydrophobicContact CD1-CE2 4.22Å; F425-Y438 AromaticContact CD1-CG 3.74Å; F425-Y438 HydrophobicContact CD1-CG 3.74Å; F425-Y438 AromaticContact CE1-CD2 3.96Å; F425-Y438 HydrophobicContact CE1-CD2 3.96Å; F425-Y438 HydrophobicContact CE1-CE2 4.36Å; F425-Y438 HydrophobicContact CE1-CG 4.42Å; R427-Y438 WeakPolarHBondContact O-CA 3.5Å; V428-Y438 HydrophobicContact CG2-CD1 3.72Å; V428-Y438 HydrophobicContact CG2-CE1 3.42Å; V428-Y438 VanDerWaalsContact CG2-CE1 3.42Å; L436-Y438 HydrophobicContact CB-CD2 4.31Å; L436-Y438 HydrophobicContact CB-CE2 3.6Å; L436-Y438 VanDerWaalsContact CD1-OH 3.29Å; L436-Y438 WeakPolarHBondContact CD1-OH 3.43Å; Y438-A455 CarbonylContact O-C 3.51Å; Y438-A455 WeakPolarHBondContact O-CA 3.39Å; Y438-I456 PolarHBondContact N-O 3.16Å; Y438-I456 PolarHBondContact O-N 2.88Å; Y438-Q458 HydrophobicContact CD2-CB 4.44Å; Y438-Q458 HydrophobicContact CE2-CB 4.09Å
439	I	83.6	Confident	73.3	Confident	33 Å²	33	61.4 Å²	61.4	17%	0.169	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.9	154.9	-169	174.8	0	0	0	107.2	G426 R427 I429 T453 Y506	G426-I439 CarbonylContact C-O 3.48Å; G426-I439 WeakPolarHBondContact CA-O 3.45Å; G426-I439 PolarHBondContact N-O 3.27Å; R427-I439 HydrophobicContact CG-CG2 3.51Å; R427-I439 WeakPolarHBondContact O-CG2 3.39Å; R427-I439 PolarHBondContact O-N 3.38Å; I429-I439 HydrophobicContact CD1-CB 4.29Å; I429-I439 HydrophobicContact CG2-CB 3.73Å; I429-I439 HydrophobicContact CG2-CG2 3.91Å; I439-T453 HydrophobicContact CD1-CG2 4.07Å; I439-T453 HydrophobicContact CG1-CG2 4.04Å; I439-Y506 HydrophobicContact CB-CD2 4.47Å; I439-Y506 HydrophobicContact CB-CE2 4.37Å; I439-Y506 HydrophobicContact CD1-CD1 4.06Å; I439-Y506 HydrophobicContact CD1-CD2 4Å; I439-Y506 HydrophobicContact CD1-CE1 3.75Å; I439-Y506 HydrophobicContact CD1-CE2 3.68Å; I439-Y506 HydrophobicContact CD1-CG 4.18Å; I439-Y506 HydrophobicContact CG1-CD2 3.94Å; I439-Y506 HydrophobicContact CG1-CE2 4.02Å; I439-Y506 HydrophobicContact CG1-CG 4.23Å
440	G	81.8	Confident	72.9	Confident	2 Å²	2	60.4 Å²	60.4	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-170	179.3	0	0	0	0	0	112.4	T424 T453 V454	T424-G440 CarbonylContact O-C 3.45Å; T424-G440 WeakPolarHBondContact O-CA 3.13Å; G440-T453 WeakPolarHBondContact O-CA 3.26Å; G440-V454 PolarHBondContact N-O 3.38Å; G440-V454 PolarHBondContact O-N 3.23Å
441	F	83.5	Confident	73	Confident	82 Å²	82	64.5 Å²	64.5	36%	0.36	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.9	175.1	-61.7	-76.1	0	0	0	109.9	L423 T424 Q451 L452 T453	L423-F441 CarbonylContact C-O 3.51Å; L423-F441 WeakPolarHBondContact CA-O 3.28Å; T424-F441 PolarHBondContact N-O 2.96Å; T424-F441 PolarHBondContact O-N 3.5Å; F441-Q451 VanDerWaalsContact CB-CD 3.48Å; F441-Q451 HydrophobicContact CB-CG 3.54Å; F441-Q451 VanDerWaalsContact CD1-CD 3.43Å; F441-Q451 HydrophobicContact CD1-CG 3.64Å; F441-Q451 VanDerWaalsContact CD1-OE1 3.27Å; F441-Q451 VanDerWaalsContact CG-CD 3.43Å; F441-Q451 HydrophobicContact CG-CG 3.85Å; F441-L452 CarbonylContact C-O 3.5Å; F441-L452 VanDerWaalsContact CA-O 3.28Å; F441-L452 WeakPolarHBondContact CA-O 3.35Å; F441-T453 WeakPolarHBondContact CE1-OG1 3.42Å
442	A	81.3	Confident	73.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.5	174.3	0	0	0	0	0	110	R422 L423 I445 L452 V454 V503	R422-A442 WeakPolarHBondContact O-CA 3.43Å; L423-A442 HydrophobicContact CD2-CB 3.64Å; A442-I445 HydrophobicContact CB-CD1 3.17Å; A442-I445 HydrophobicContact CB-CG1 3.73Å; A442-L452 PolarHBondContact N-O 2.8Å; A442-L452 PolarHBondContact O-N 3.37Å; A442-V454 HydrophobicContact CB-CG1 4.02Å; A442-V454 HydrophobicContact CB-CG2 3.86Å; A442-V503 HydrophobicContact CB-CG1 4.36Å
443	N	77.8	Confident	73.7	Confident	56 Å²	56	61.9 Å²	61.9	30%	0.299	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.8	-175.6	-65.5	-32.7	0	0	0	111	R422 I445	R422-N443 PolarHBondContact O-N 3.09Å; N443-I445 VanDerWaalsContact C-N 3.33Å; N443-I445 PolarHBondContact O-N 3.45Å
444	S	72	Confident	74.6	Confident	56 Å²	56	58.6 Å²	58.6	39%	0.392	31%	0.313	S	S	.	.	S	Bend	trans	57.2	37	169	-56.7	0	0	0	0	115	R422 Q448 G450	R422-S444 PolarHBondContact NH1-O 3.3Å; S444-Q448 WeakPolarHBondContact CA-O 3.37Å; S444-G450 PolarHBondContact N-O 3.36Å
445	I	72.1	Confident	75.6	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.056	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-72.5	138.1	178.5	-56.9	169.8	0	0	0	110.9	A442 N443 N447 Q448 L452 V454 Y491 V503	A442-I445 HydrophobicContact CB-CD1 3.17Å; A442-I445 HydrophobicContact CB-CG1 3.73Å; N443-I445 VanDerWaalsContact C-N 3.33Å; N443-I445 PolarHBondContact O-N 3.45Å; I445-N447 PolarHBondContact O-N 3.31Å; I445-Q448 PolarHBondContact O-N 2.79Å; I445-L452 HydrophobicContact CD1-CD2 4.2Å; I445-V454 HydrophobicContact CD1-CG1 4.12Å; I445-Y491 HydrophobicContact CD1-CD2 4.49Å; I445-V503 HydrophobicContact CD1-CG1 4.24Å
446	R	65.1	Low	76.3	Confident	127 Å²	127	58 Å²	58	48%	0.479	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	51.2	41.5	177.3	-67	-173.9	-177.4	-167.6	7.8	113.2	F416 Q448 Q489 M490	F416-R446 VanDerWaalsContact CE1-NH2 3.34Å; R446-Q448 PolarHBondContact O-N 2.97Å; R446-Q448 VanDerWaalsContact O-N 3.08Å; R446-Q489 VanDerWaalsContact NH2-NE2 3.15Å; R446-M490 PolarHBondContact NH2-O 3.31Å
447	N	62.1	Low	76.6	Confident	159 Å²	159	55.7 Å²	55.7	85%	0.85	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	60.6	14.8	179.6	-54.1	-32.4	0	0	0	114.7	I445	I445-N447 PolarHBondContact O-N 3.31Å
448	Q	56	Low	76.8	Confident	147 Å²	147	56.1 Å²	56.1	69%	0.687	30%	0.3	S	S	*	.			trans	-89.4	119.8	171.6	-66.4	-165.3	-4.6	0	0	109.4	S444 I445 R446	S444-Q448 WeakPolarHBondContact CA-O 3.37Å; I445-Q448 PolarHBondContact O-N 2.79Å; R446-Q448 PolarHBondContact O-N 2.97Å; R446-Q448 VanDerWaalsContact O-N 3.08Å
449	P	57.1	Low	77.2	Confident	127 Å²	127	54.4 Å²	54.4	83%	0.825	29%	0.294	S	S	*	.			trans	-67.7	140.1	179.2	27.1	-32.9	0	0	0	110.7
450	G	66	Low	77.2	Confident	48 Å²	48	56.5 Å²	56.5	50%	0.495	30%	0.301	S	S	.	.	S	Bend	trans	115.8	-178	175	0	0	0	0	0	114	S444	S444-G450 PolarHBondContact N-O 3.36Å
451	Q	73.9	Confident	77.1	Confident	113 Å²	113	61.5 Å²	61.5	53%	0.528	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.3	-177.5	-173.7	178.5	74.8	0	0	109.9	F441	F441-Q451 VanDerWaalsContact CB-CD 3.48Å; F441-Q451 HydrophobicContact CB-CG 3.54Å; F441-Q451 VanDerWaalsContact CD1-CD 3.43Å; F441-Q451 HydrophobicContact CD1-CG 3.64Å; F441-Q451 VanDerWaalsContact CD1-OE1 3.27Å; F441-Q451 VanDerWaalsContact CG-CD 3.43Å; F441-Q451 HydrophobicContact CG-CG 3.85Å
452	L	73.7	Confident	77.1	Confident	67 Å²	67	64.2 Å²	64.2	35%	0.351	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.1	176.6	-174.5	62.6	0	0	0	110	F441 A442 I445 V454 Y491	F441-L452 CarbonylContact C-O 3.5Å; F441-L452 VanDerWaalsContact CA-O 3.28Å; F441-L452 WeakPolarHBondContact CA-O 3.35Å; A442-L452 PolarHBondContact N-O 2.8Å; A442-L452 PolarHBondContact O-N 3.37Å; I445-L452 HydrophobicContact CD1-CD2 4.2Å; L452-V454 HydrophobicContact CB-CG1 4.35Å; L452-V454 HydrophobicContact CD2-CG1 4.14Å; L452-V454 HydrophobicContact CG-CG1 4.01Å; L452-Y491 HydrophobicContact CD2-CD2 3.69Å; L452-Y491 HydrophobicContact CD2-CE1 4.44Å; L452-Y491 HydrophobicContact CD2-CE2 3.39Å; L452-Y491 HydrophobicContact CD2-CG 4.3Å; L452-Y491 HydrophobicContact CG-CE2 4.26Å
453	T	78.2	Confident	77.3	Confident	60 Å²	60	64.7 Å²	64.7	37%	0.368	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.1	169.5	-54.2	0	0	0	0	109.8	I439 G440 F441 Y506	I439-T453 HydrophobicContact CD1-CG2 4.07Å; I439-T453 HydrophobicContact CG1-CG2 4.04Å; G440-T453 WeakPolarHBondContact O-CA 3.26Å; F441-T453 WeakPolarHBondContact CE1-OG1 3.42Å; T453-Y506 HydrophobicContact CG2-CD1 4Å; T453-Y506 HydrophobicContact CG2-CG 4.23Å
454	V	86.8	Confident	77.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.3	-171.1	-65.8	0	0	0	0	111.7	G440 A442 I445 L452 I456 Y491 V503 M504	G440-V454 PolarHBondContact N-O 3.38Å; G440-V454 PolarHBondContact O-N 3.23Å; A442-V454 HydrophobicContact CB-CG1 4.02Å; A442-V454 HydrophobicContact CB-CG2 3.86Å; I445-V454 HydrophobicContact CD1-CG1 4.12Å; L452-V454 HydrophobicContact CB-CG1 4.35Å; L452-V454 HydrophobicContact CD2-CG1 4.14Å; L452-V454 HydrophobicContact CG-CG1 4.01Å; V454-I456 HydrophobicContact CG2-CD1 4.17Å; V454-I456 HydrophobicContact CG2-CG1 3.82Å; V454-Y491 HydrophobicContact CG1-CD2 3.8Å; V454-Y491 HydrophobicContact CG1-CE2 4.12Å; V454-V503 HydrophobicContact CB-CG1 3.77Å; V454-V503 HydrophobicContact CG1-CG1 3.83Å; V454-V503 HydrophobicContact CG2-CG1 3.89Å; V454-M504 CarbonylContact C-O 3.57Å; V454-M504 WeakPolarHBondContact CA-O 3.38Å; V454-M504 WeakPolarHBondContact CB-O 3.47Å
455	A	90.1	Very high	78.5	Confident	9 Å²	9	66.7 Å²	66.7	7%	0.074	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.4	163.8	0	0	0	0	0	108.9	I429 V437 Y438 M504	I429-A455 HydrophobicContact CD1-CB 4.19Å; V437-A455 HydrophobicContact CG1-CB 4.25Å; Y438-A455 CarbonylContact O-C 3.51Å; Y438-A455 WeakPolarHBondContact O-CA 3.39Å; A455-M504 HydrophobicContact CB-CB 4.46Å; A455-M504 HydrophobicContact CB-CE 4.38Å; A455-M504 PolarHBondContact N-O 2.85Å; A455-M504 PolarHBondContact O-N 3.2Å
456	I	89.4	Confident	79.2	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	107.1	-177.6	-51	169.8	0	0	0	108.1	L423 F425 V437 Y438 V454 C501 M502	L423-I456 HydrophobicContact CB-CD1 4.27Å; L423-I456 HydrophobicContact CD1-CG2 4.39Å; L423-I456 HydrophobicContact CD2-CD1 4.36Å; F425-I456 HydrophobicContact CD1-CD1 4.2Å; F425-I456 HydrophobicContact CD1-CG2 4.44Å; F425-I456 HydrophobicContact CE1-CB 4.13Å; F425-I456 HydrophobicContact CE1-CD1 4.18Å; F425-I456 HydrophobicContact CE1-CG2 3.56Å; F425-I456 HydrophobicContact CE2-CD1 4.48Å; F425-I456 HydrophobicContact CG-CD1 4.37Å; F425-I456 HydrophobicContact CZ-CD1 4.31Å; F425-I456 HydrophobicContact CZ-CG2 3.79Å; V437-I456 CarbonylContact C-O 3.48Å; V437-I456 WeakPolarHBondContact CA-O 3.33Å; Y438-I456 PolarHBondContact N-O 3.16Å; Y438-I456 PolarHBondContact O-N 2.88Å; V454-I456 HydrophobicContact CG2-CD1 4.17Å; V454-I456 HydrophobicContact CG2-CG1 3.82Å; I456-C501 HydrophobicContact CG2-CB 4Å; I456-M502 WeakPolarHBondContact CA-O 3.5Å
457	K	91.3	Very high	80.2	Confident	9 Å²	9	69.5 Å²	69.5	4%	0.039	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	113.5	172.5	-170.6	176.1	-165.5	-175.6	0	107.6	V437 F471 E474 C501 M502 M504 D622	V437-K457 HydrophobicContact CG2-CB 4.31Å; V437-K457 HydrophobicContact CG2-CG 4.08Å; K457-F471 HydrophobicContact CB-CE2 4.49Å; K457-F471 HydrophobicContact CD-CE2 4.06Å; K457-F471 HydrophobicContact CG-CE2 3.98Å; K457-F471 WeakPolarHBondContact O-CZ 3.45Å; K457-E474 IonicContact NZ-OE1 3.52Å; K457-E474 PolarHBondContact NZ-OE1 3.03Å; K457-E474 IonicContact NZ-OE2 2.65Å; K457-E474 PolarHBondContact NZ-OE2 3.38Å; K457-C501 CarbonylContact O-C 3.52Å; K457-C501 WeakPolarHBondContact O-CA 3.38Å; K457-M502 HydrophobicContact CB-CB 4.42Å; K457-M502 HydrophobicContact CB-CE 4.38Å; K457-M502 HydrophobicContact CD-CE 3.76Å; K457-M502 PolarHBondContact N-O 2.97Å; K457-M502 PolarHBondContact O-N 2.83Å; K457-M504 HydrophobicContact CB-CE 3.82Å; K457-D622 IonicContact NZ-OD1 3.13Å; K457-D622 PolarHBondContact NZ-OD1 3.34Å
458	Q	89.5	Confident	81.5	Confident	31 Å²	31	64.1 Å²	64.1	15%	0.145	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.9	-178.9	-179.2	179.4	78.5	0	0	109.8	G435 L436 Y438 P499	G435-Q458 WeakPolarHBondContact CA-O 2.89Å; L436-Q458 PolarHBondContact N-O 3.19Å; L436-Q458 PolarHBondContact O-N 2.86Å; Y438-Q458 HydrophobicContact CD2-CB 4.44Å; Y438-Q458 HydrophobicContact CE2-CB 4.09Å; Q458-P499 HydrophobicContact CG-CB 3.94Å; Q458-P499 HydrophobicContact CG-CG 3.99Å
459	I	90.2	Very high	83	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	149	175.9	-161.3	166.7	0	0	0	111.3	F434 A463 K468 F471 N500	F434-I459 HydrophobicContact CB-CG1 4.46Å; F434-I459 CarbonylContact O-C 3.49Å; F434-I459 WeakPolarHBondContact O-CA 3.3Å; I459-A463 HydrophobicContact CD1-CB 3.72Å; I459-A463 HydrophobicContact CG1-CB 3.64Å; I459-K468 HydrophobicContact CD1-CB 4.25Å; I459-K468 HydrophobicContact CD1-CG 3.77Å; I459-F471 HydrophobicContact CB-CD1 4.36Å; I459-F471 HydrophobicContact CB-CE1 4.49Å; I459-F471 HydrophobicContact CD1-CB 3.92Å; I459-F471 HydrophobicContact CD1-CD1 4.28Å; I459-F471 HydrophobicContact CD1-CG 4.18Å; I459-N500 HydrophobicContact CG2-CB 3.98Å; I459-N500 PolarHBondContact N-O 3.42Å; I459-N500 VanDerWaalsContact N-O 3.09Å
460	K	82.7	Confident	84.5	Confident	76 Å²	76	55 Å²	55	33%	0.33	32%	0.316	S	S	.	.			trans	-59.9	139.5	173.4	-66	164.1	-157.7	156	0	110.3	A433 F434 N462 A463 E467	A433-K460 PolarHBondContact O-NZ 2.96Å; F434-K460 WeakPolarHBondContact O-CG 3.37Å; F434-K460 PolarHBondContact O-N 3.12Å; K460-N462 PolarHBondContact O-N 3.31Å; K460-N462 VanDerWaalsContact O-N 3.13Å; K460-A463 HydrophobicContact CB-CB 4.4Å; K460-A463 VanDerWaalsContact O-CB 3.27Å; K460-A463 WeakPolarHBondContact O-CB 3.2Å; K460-A463 PolarHBondContact O-N 2.82Å; K460-A463 VanDerWaalsContact O-N 3.08Å; K460-E467 IonicContact NZ-OE1 2.68Å
461	A	81	Confident	85.7	Confident	108 Å²	108	52.7 Å²	52.7	89%	0.893	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.7	178	0	0	0	0	0	113.7
462	N	83	Confident	86.5	Confident	138 Å²	138	52 Å²	52	74%	0.738	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	26.4	179.6	67.9	-30.9	0	0	0	113.3	K460	K460-N462 PolarHBondContact O-N 3.31Å; K460-N462 VanDerWaalsContact O-N 3.13Å
463	A	85.2	Confident	87.3	Confident	10 Å²	10	51.7 Å²	51.7	8%	0.083	28%	0.283	C	S	.	.			trans	-65	141.5	-180	0	0	0	0	0	112.4	I459 K460 E467 K468	I459-A463 HydrophobicContact CD1-CB 3.72Å; I459-A463 HydrophobicContact CG1-CB 3.64Å; K460-A463 HydrophobicContact CB-CB 4.4Å; K460-A463 VanDerWaalsContact O-CB 3.27Å; K460-A463 WeakPolarHBondContact O-CB 3.2Å; K460-A463 PolarHBondContact O-N 2.82Å; K460-A463 VanDerWaalsContact O-N 3.08Å; A463-E467 WeakPolarHBondContact CA-OE2 3.45Å; A463-E467 HydrophobicContact CB-CB 4.03Å; A463-K468 HydrophobicContact CB-CG 4.37Å
464	S	87.6	Confident	87.9	Confident	47 Å²	47	49 Å²	49	33%	0.329	27%	0.266	S	S	.	.			trans	-69.6	164.2	174.7	87.7	0	0	0	0	111.8	E466 E467 K468	S464-E466 VanDerWaalsContact CB-OE2 3.28Å; S464-E466 WeakPolarHBondContact CB-OE2 3.26Å; S464-E466 PolarHBondContact O-N 3.24Å; S464-E466 PolarHBondContact OG-N 3.09Å; S464-E466 PolarHBondContact OG-OE2 3.29Å; S464-E467 PolarHBondContact N-OE2 3.04Å; S464-E467 PolarHBondContact O-N 3.48Å; S464-E467 VanDerWaalsContact O-N 3.12Å; S464-E467 PolarHBondContact OG-N 3.19Å; S464-K468 WeakPolarHBondContact O-CG 3.28Å; S464-K468 PolarHBondContact O-N 2.98Å
465	E	88.6	Confident	88.2	Confident	107 Å²	107	49 Å²	49	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-31	176.9	-71.6	-54.9	130.3	0	0	112.3	K468 S469	E465-K468 PolarHBondContact O-N 3.5Å; E465-K468 WeakPolarHBondContact OE1-CD 3.4Å; E465-K468 WeakPolarHBondContact OE1-CE 3.46Å; E465-K468 IonicContact OE1-NZ 3.66Å; E465-K468 PolarHBondContact OE1-NZ 3.47Å; E465-S469 VanDerWaalsContact O-CB 3.3Å; E465-S469 WeakPolarHBondContact O-CB 3.32Å; E465-S469 PolarHBondContact O-N 2.65Å
466	E	85.9	Confident	88.3	Confident	140 Å²	140	52.3 Å²	52.3	65%	0.654	28%	0.283	S	S	*	.	H	α-helix	trans	-66.4	-41.3	171.9	-57.1	75.3	-162.7	0	0	111.7	S464 S469 A470	S464-E466 VanDerWaalsContact CB-OE2 3.28Å; S464-E466 WeakPolarHBondContact CB-OE2 3.26Å; S464-E466 PolarHBondContact O-N 3.24Å; S464-E466 PolarHBondContact OG-N 3.09Å; S464-E466 PolarHBondContact OG-OE2 3.29Å; E466-S469 PolarHBondContact O-N 2.9Å; E466-A470 WeakPolarHBondContact O-CB 3.33Å; E466-A470 PolarHBondContact O-N 3.38Å
467	E	86.8	Confident	88.4	Confident	57 Å²	57	52.6 Å²	52.6	27%	0.266	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-41.7	175.1	-71.9	179.8	129.3	0	0	111.4	K460 A463 S464 A470 F471	K460-E467 IonicContact NZ-OE1 2.68Å; A463-E467 WeakPolarHBondContact CA-OE2 3.45Å; A463-E467 HydrophobicContact CB-CB 4.03Å; S464-E467 PolarHBondContact N-OE2 3.04Å; S464-E467 PolarHBondContact O-N 3.48Å; S464-E467 VanDerWaalsContact O-N 3.12Å; S464-E467 PolarHBondContact OG-N 3.19Å; E467-A470 PolarHBondContact O-N 3.19Å; E467-F471 WeakPolarHBondContact O-CB 3.45Å; E467-F471 PolarHBondContact O-N 3.47Å
468	K	88.6	Confident	88.4	Confident	46 Å²	46	52.3 Å²	52.3	20%	0.2	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-43.5	174.4	-69.4	177.9	-172.3	174.4	0	112.1	I459 A463 S464 E465 F471 R472	I459-K468 HydrophobicContact CD1-CB 4.25Å; I459-K468 HydrophobicContact CD1-CG 3.77Å; A463-K468 HydrophobicContact CB-CG 4.37Å; S464-K468 WeakPolarHBondContact O-CG 3.28Å; S464-K468 PolarHBondContact O-N 2.98Å; E465-K468 PolarHBondContact O-N 3.5Å; E465-K468 WeakPolarHBondContact OE1-CD 3.4Å; E465-K468 WeakPolarHBondContact OE1-CE 3.46Å; E465-K468 IonicContact OE1-NZ 3.66Å; E465-K468 PolarHBondContact OE1-NZ 3.47Å; K468-F471 PolarHBondContact O-N 3.44Å; K468-R472 WeakPolarHBondContact O-CG 3.38Å; K468-R472 PolarHBondContact O-N 2.88Å
469	S	88.6	Confident	88.5	Confident	63 Å²	63	52.8 Å²	52.8	44%	0.441	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-42.8	176.4	177.7	0	0	0	0	111.7	E465 E466 F471 R472 L473	E465-S469 VanDerWaalsContact O-CB 3.3Å; E465-S469 WeakPolarHBondContact O-CB 3.32Å; E465-S469 PolarHBondContact O-N 2.65Å; E466-S469 PolarHBondContact O-N 2.9Å; S469-F471 VanDerWaalsContact C-N 3.34Å; S469-F471 PolarHBondContact O-N 3.3Å; S469-R472 PolarHBondContact O-N 3.26Å; S469-L473 WeakPolarHBondContact O-CB 3.38Å; S469-L473 PolarHBondContact O-N 3.06Å
470	A	87.5	Confident	88.4	Confident	20 Å²	20	56.7 Å²	56.7	17%	0.165	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-39	175.6	0	0	0	0	0	112.2	F434 E466 E467 L473 E474	F434-A470 HydrophobicContact CE1-CB 3.59Å; F434-A470 HydrophobicContact CZ-CB 3.79Å; E466-A470 WeakPolarHBondContact O-CB 3.33Å; E466-A470 PolarHBondContact O-N 3.38Å; E467-A470 PolarHBondContact O-N 3.19Å; A470-L473 PolarHBondContact O-N 3.23Å; A470-E474 PolarHBondContact O-N 3.1Å
471	F	90.7	Very high	88.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-42.1	175.3	-173.2	-111	0	0	0	112.6	F434 K457 I459 E467 K468 S469 L473 E474 I475 N500 M502	F434-F471 HydrophobicContact CB-CD2 4.07Å; F434-F471 AromaticContact CD2-CD2 3.97Å; F434-F471 HydrophobicContact CD2-CD2 3.97Å; F434-F471 HydrophobicContact CG-CB 4.39Å; F434-F471 HydrophobicContact CG-CD2 4.12Å; K457-F471 HydrophobicContact CB-CE2 4.49Å; K457-F471 HydrophobicContact CD-CE2 4.06Å; K457-F471 HydrophobicContact CG-CE2 3.98Å; K457-F471 WeakPolarHBondContact O-CZ 3.45Å; I459-F471 HydrophobicContact CB-CD1 4.36Å; I459-F471 HydrophobicContact CB-CE1 4.49Å; I459-F471 HydrophobicContact CD1-CB 3.92Å; I459-F471 HydrophobicContact CD1-CD1 4.28Å; I459-F471 HydrophobicContact CD1-CG 4.18Å; E467-F471 WeakPolarHBondContact O-CB 3.45Å; E467-F471 PolarHBondContact O-N 3.47Å; K468-F471 PolarHBondContact O-N 3.44Å; S469-F471 VanDerWaalsContact C-N 3.34Å; S469-F471 PolarHBondContact O-N 3.3Å; F471-L473 VanDerWaalsContact C-N 3.31Å; F471-L473 PolarHBondContact O-N 3.41Å; F471-E474 WeakPolarHBondContact O-CB 3.13Å; F471-E474 PolarHBondContact O-N 3.16Å; F471-I475 HydrophobicContact CD1-CD1 3.96Å; F471-I475 HydrophobicContact CE1-CD1 3.67Å; F471-I475 HydrophobicContact CE1-CG1 4.5Å; F471-I475 HydrophobicContact CZ-CD1 4.23Å; F471-I475 PolarHBondContact O-N 3.31Å; F471-N500 HydrophobicContact CD1-CB 4.24Å; F471-N500 HydrophobicContact CE1-CB 3.96Å; F471-M502 HydrophobicContact CE2-CB 4.33Å; F471-M502 HydrophobicContact CZ-CB 3.8Å
472	R	91.2	Very high	88.9	Confident	98 Å²	98	49.3 Å²	49.3	37%	0.37	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-41.5	172.8	-75.5	-172.7	-71.4	-94.1	3.7	112	K468 S469 E474 I475 D476	K468-R472 WeakPolarHBondContact O-CG 3.38Å; K468-R472 PolarHBondContact O-N 2.88Å; S469-R472 PolarHBondContact O-N 3.26Å; R472-E474 VanDerWaalsContact C-N 3.33Å; R472-E474 PolarHBondContact O-N 2.86Å; R472-I475 WeakPolarHBondContact O-CB 3.46Å; R472-I475 PolarHBondContact O-N 3.18Å; R472-D476 PolarHBondContact O-N 3.37Å
473	L	89.8	Confident	88.8	Confident	60 Å²	60	48.2 Å²	48.2	31%	0.314	26%	0.255	S	S	.	.	H	α-helix	trans	-69.3	-31.3	178.4	-172.1	47.2	0	0	0	113	S469 A470 F471 T477 R627	S469-L473 WeakPolarHBondContact O-CB 3.38Å; S469-L473 PolarHBondContact O-N 3.06Å; A470-L473 PolarHBondContact O-N 3.23Å; F471-L473 VanDerWaalsContact C-N 3.31Å; F471-L473 PolarHBondContact O-N 3.41Å; L473-T477 WeakPolarHBondContact O-CB 3.23Å; L473-T477 PolarHBondContact O-N 3.22Å; L473-T477 PolarHBondContact O-OG1 3.02Å; L473-R627 VanDerWaalsContact CD2-NH2 3.33Å
474	E	91.8	Very high	88.7	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-46.4	169	-174.8	178.4	179.1	0	0	110.8	F434 K457 A470 F471 R472 D476 T477 M478 M502 F623	F434-E474 WeakPolarHBondContact CD2-OE2 3.46Å; F434-E474 WeakPolarHBondContact CE2-OE2 3.17Å; K457-E474 IonicContact NZ-OE1 3.52Å; K457-E474 PolarHBondContact NZ-OE1 3.03Å; K457-E474 IonicContact NZ-OE2 2.65Å; K457-E474 PolarHBondContact NZ-OE2 3.38Å; A470-E474 PolarHBondContact O-N 3.1Å; F471-E474 WeakPolarHBondContact O-CB 3.13Å; F471-E474 PolarHBondContact O-N 3.16Å; R472-E474 VanDerWaalsContact C-N 3.33Å; R472-E474 PolarHBondContact O-N 2.86Å; E474-D476 PolarHBondContact O-N 3.5Å; E474-T477 PolarHBondContact O-N 2.92Å; E474-M478 WeakPolarHBondContact O-CB 3.38Å; E474-M478 VanDerWaalsContact O-CG 3.25Å; E474-M478 WeakPolarHBondContact O-CG 3.2Å; E474-M478 PolarHBondContact O-N 2.82Å; E474-M502 HydrophobicContact CG-CE 4.08Å; E474-F623 HydrophobicContact CG-CB 4.12Å
475	I	92.7	Very high	88.4	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-56.7	-48.1	174.8	-72.4	168	0	0	0	110.9	F471 R472 T477 M478 K479 M490 C493 T495 M502	F471-I475 HydrophobicContact CD1-CD1 3.96Å; F471-I475 HydrophobicContact CE1-CD1 3.67Å; F471-I475 HydrophobicContact CE1-CG1 4.5Å; F471-I475 HydrophobicContact CZ-CD1 4.23Å; F471-I475 PolarHBondContact O-N 3.31Å; R472-I475 WeakPolarHBondContact O-CB 3.46Å; R472-I475 PolarHBondContact O-N 3.18Å; I475-T477 VanDerWaalsContact C-N 3.35Å; I475-T477 PolarHBondContact O-N 2.97Å; I475-M478 WeakPolarHBondContact O-CB 3.34Å; I475-M478 PolarHBondContact O-N 3.33Å; I475-K479 HydrophobicContact CG2-CD 4.31Å; I475-K479 WeakPolarHBondContact O-CG 3.28Å; I475-K479 PolarHBondContact O-N 3.28Å; I475-M490 HydrophobicContact CG2-CE 4.07Å; I475-M490 HydrophobicContact CG2-SD 4.03Å; I475-C493 HydrophobicContact CD1-CB 4.08Å; I475-C493 HydrophobicContact CG2-CB 4.14Å; I475-T495 HydrophobicContact CD1-CG2 3.93Å; I475-M502 HydrophobicContact CD1-CB 4.34Å; I475-M502 HydrophobicContact CG1-CB 4Å; I475-M502 HydrophobicContact CG1-CG 4.07Å; I475-M502 HydrophobicContact CG1-SD 3.8Å
476	D	92.9	Very high	88.6	Confident	78 Å²	78	42.5 Å²	42.5	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-36.6	-177.6	-66.3	-26.7	0	0	0	112.3	R472 E474 M478 K479 L480	R472-D476 PolarHBondContact O-N 3.37Å; E474-D476 PolarHBondContact O-N 3.5Å; D476-M478 VanDerWaalsContact C-N 3.31Å; D476-M478 PolarHBondContact O-N 3.16Å; D476-K479 PolarHBondContact O-N 2.76Å; D476-K479 IonicContact OD1-NZ 2.75Å; D476-K479 PolarHBondContact OD1-NZ 2.91Å; D476-L480 PolarHBondContact O-N 3.18Å
477	T	91.4	Very high	88.8	Confident	6 Å²	6	35.9 Å²	35.9	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-40.8	173.4	-55	0	0	0	0	111.2	L473 E474 I475 L480 A481 I600 F623	L473-T477 WeakPolarHBondContact O-CB 3.23Å; L473-T477 PolarHBondContact O-N 3.22Å; L473-T477 PolarHBondContact O-OG1 3.02Å; E474-T477 PolarHBondContact O-N 2.92Å; I475-T477 VanDerWaalsContact C-N 3.35Å; I475-T477 PolarHBondContact O-N 2.97Å; T477-L480 PolarHBondContact O-N 3.3Å; T477-A481 WeakPolarHBondContact O-CB 3.41Å; T477-A481 PolarHBondContact O-N 3.06Å; T477-I600 HydrophobicContact CG2-CD1 4.36Å; T477-I600 HydrophobicContact CG2-CG2 3.93Å; T477-F623 HydrophobicContact CG2-CB 4.48Å; T477-F623 HydrophobicContact CG2-CD1 3.95Å
478	M	91	Very high	89.1	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-35	176.8	-77	-68.9	-55.3	0	0	112.9	E474 I475 D476 I488 M490 M502 F623	E474-M478 WeakPolarHBondContact O-CB 3.38Å; E474-M478 VanDerWaalsContact O-CG 3.25Å; E474-M478 WeakPolarHBondContact O-CG 3.2Å; E474-M478 PolarHBondContact O-N 2.82Å; I475-M478 WeakPolarHBondContact O-CB 3.34Å; I475-M478 PolarHBondContact O-N 3.33Å; D476-M478 VanDerWaalsContact C-N 3.31Å; D476-M478 PolarHBondContact O-N 3.16Å; M478-I488 HydrophobicContact CE-CG2 3.61Å; M478-I488 WeakPolarHBondContact CE-O 3.4Å; M478-I488 HydrophobicContact SD-CG2 3.89Å; M478-M490 HydrophobicContact CB-CB 4.09Å; M478-M490 HydrophobicContact CB-SD 4Å; M478-M490 HydrophobicContact CE-CB 3.76Å; M478-M502 HydrophobicContact CB-SD 4.35Å; M478-M502 HydrophobicContact CG-SD 4Å; M478-F623 HydrophobicContact CG-CB 4.4Å; M478-F623 HydrophobicContact CG-CD2 4.37Å; M478-F623 HydrophobicContact CG-CG 4.47Å; M478-F623 HydrophobicContact SD-CB 4.35Å; M478-F623 HydrophobicContact SD-CD2 3.28Å; M478-F623 WeakPolarHBondContact SD-CD2 3.31Å; M478-F623 HydrophobicContact SD-CE2 3.66Å; M478-F623 HydrophobicContact SD-CG 3.87Å; M478-F623 HydrophobicContact SD-CZ 4.5Å
479	K	90.5	Very high	89.1	Confident	41 Å²	41	31.6 Å²	31.6	18%	0.178	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-46.4	170.9	-68.5	171.1	-175.8	168.9	0	111	D414 F416 I475 D476 G482 M490	D414-K479 IonicContact OD1-NZ 3.65Å; D414-K479 VanDerWaalsContact OD2-CD 3.26Å; D414-K479 WeakPolarHBondContact OD2-CD 3.4Å; D414-K479 WeakPolarHBondContact OD2-CE 3.5Å; D414-K479 IonicContact OD2-NZ 3.39Å; D414-K479 PolarHBondContact OD2-NZ 2.71Å; F416-K479 HydrophobicContact CD2-CD 4.05Å; F416-K479 HydrophobicContact CD2-CG 3.84Å; F416-K479 HydrophobicContact CE2-CB 4.22Å; F416-K479 HydrophobicContact CE2-CD 4.46Å; F416-K479 HydrophobicContact CE2-CG 3.92Å; F416-K479 HydrophobicContact CG-CG 4.16Å; F416-K479 HydrophobicContact CZ-CB 4.49Å; F416-K479 HydrophobicContact CZ-CG 4.29Å; I475-K479 HydrophobicContact CG2-CD 4.31Å; I475-K479 WeakPolarHBondContact O-CG 3.28Å; I475-K479 PolarHBondContact O-N 3.28Å; D476-K479 PolarHBondContact O-N 2.76Å; D476-K479 IonicContact OD1-NZ 2.75Å; D476-K479 PolarHBondContact OD1-NZ 2.91Å; K479-G482 PolarHBondContact O-N 3.39Å; K479-M490 HydrophobicContact CD-CE 4.29Å; K479-M490 HydrophobicContact CG-CE 3.55Å; K479-M490 HydrophobicContact CG-SD 4.44Å
480	L	89.5	Confident	89.2	Confident	87 Å²	87	28.6 Å²	28.6	46%	0.455	15%	0.154	S	C	.	.	H	α-helix	trans	-63.8	-40.7	179.1	-175.9	66.2	0	0	0	112.1	D476 T477 G482 L598 I600	D476-L480 PolarHBondContact O-N 3.18Å; T477-L480 PolarHBondContact O-N 3.3Å; L480-G482 PolarHBondContact O-N 3.48Å; L480-L598 WeakPolarHBondContact O-CD1 3.06Å; L480-I600 HydrophobicContact CB-CD1 4.39Å; L480-I600 HydrophobicContact CD2-CD1 3.98Å; L480-I600 HydrophobicContact CD2-CG1 4.02Å; L480-I600 HydrophobicContact CG-CD1 4.09Å
481	A	88.1	Confident	89.2	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-26.7	178.1	0	0	0	0	0	112.8	T477 I487 H594 L595 I600	T477-A481 WeakPolarHBondContact O-CB 3.41Å; T477-A481 PolarHBondContact O-N 3.06Å; A481-I487 HydrophobicContact CB-CG2 4.43Å; A481-H594 PolarHBondContact O-NE2 2.76Å; A481-L595 HydrophobicContact CB-CD2 4.13Å; A481-I600 HydrophobicContact CB-CD1 4.17Å
482	G	85.3	Confident	89.3	Confident	28 Å²	28	30.1 Å²	30.1	29%	0.289	16%	0.156	S	C	.	.			trans	67.7	-143	173.5	0	0	0	0	0	113.5	K479 L480 Q489	K479-G482 PolarHBondContact O-N 3.39Å; L480-G482 PolarHBondContact O-N 3.48Å; G482-Q489 PolarHBondContact O-NE2 3.06Å; G482-Q489 PolarHBondContact O-OE1 3.23Å
483	N	81.1	Confident	89.5	Confident	116 Å²	116	25.5 Å²	25.5	62%	0.62	14%	0.138	S	C	*	.			trans	-110.9	124.5	-179.5	-174.4	14.3	0	0	0	111.2	Q489	N483-Q489 PolarHBondContact OD1-OE1 3.44Å
484	H	83.5	Confident	89.6	Confident	7 Å²	7	22.7 Å²	22.7	3%	0.032	12%	0.123	C	C	.	.			trans	-149.9	140.3	175.5	-176.9	-91.5	0	0	0	109.6	G128 N486 I487 N590 H594 K619	G128-H484 WeakPolarHBondContact CA-NE2 3.36Å; H484-N486 PolarHBondContact ND1-N 2.92Å; H484-N486 VanDerWaalsContact ND1-N 3.11Å; H484-N486 PolarHBondContact O-N 3.1Å; H484-N486 VanDerWaalsContact O-N 3.15Å; H484-I487 HydrophobicContact CB-CB 4.06Å; H484-I487 HydrophobicContact CB-CG1 3.95Å; H484-I487 PolarHBondContact O-N 3.31Å; H484-I487 VanDerWaalsContact O-N 3.16Å; H484-N590 PolarHBondContact CE1-O 3.01Å; H484-H594 AromaticContact CD2-CG 3.76Å; H484-H594 AromaticContact CG-CG 3.95Å; H484-K619 PolarHBondContact O-NZ 3.37Å
485	P	80.9	Confident	89.6	Confident	35 Å²	35	24.5 Å²	24.5	23%	0.227	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.5	-175.6	22.8	-34.3	0	0	0	113.9	Y127 G128 K619	Y127-P485 HydrophobicContact CE1-CG 4.23Å; G128-P485 VanDerWaalsContact CA-CD 3.46Å; G128-P485 WeakPolarHBondContact O-CD 3.27Å; P485-K619 WeakPolarHBondContact O-CE 3.49Å; P485-K619 VanDerWaalsContact O-CG 3.27Å; P485-K619 WeakPolarHBondContact O-CG 3.39Å; P485-K619 PolarHBondContact O-NZ 2.97Å
486	N	92.4	Very high	89.4	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	14.2	178.2	-57.5	121.4	0	0	0	115.2	Y127 H484 Q587 L618 K619 I620	Y127-N486 WeakPolarHBondContact CE1-OD1 3.43Å; Y127-N486 PolarHBondContact OH-OD1 3.07Å; H484-N486 PolarHBondContact ND1-N 2.92Å; H484-N486 VanDerWaalsContact ND1-N 3.11Å; H484-N486 PolarHBondContact O-N 3.1Å; H484-N486 VanDerWaalsContact O-N 3.15Å; N486-Q587 WeakPolarHBondContact CB-O 3.4Å; N486-Q587 VanDerWaalsContact CG-O 3.24Å; N486-Q587 PolarHBondContact ND2-OE1 3.5Å; N486-Q587 PolarHBondContact OD1-O 2.88Å; N486-L618 VanDerWaalsContact CA-O 3.23Å; N486-L618 WeakPolarHBondContact CA-O 3.45Å; N486-L618 WeakPolarHBondContact CB-O 3.33Å; N486-L618 PolarHBondContact ND2-O 3.26Å; N486-K619 WeakPolarHBondContact O-CA 3.09Å; N486-I620 PolarHBondContact O-N 2.97Å
487	I	91.2	Very high	88.9	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-116.2	145.3	167.9	-58.2	-59.7	0	0	0	108	A481 H484 Q489 L595 K619 I620 F623	A481-I487 HydrophobicContact CB-CG2 4.43Å; H484-I487 HydrophobicContact CB-CB 4.06Å; H484-I487 HydrophobicContact CB-CG1 3.95Å; H484-I487 PolarHBondContact O-N 3.31Å; H484-I487 VanDerWaalsContact O-N 3.16Å; I487-Q489 PolarHBondContact O-N 3.47Å; I487-L595 HydrophobicContact CD1-CD1 3.92Å; I487-L595 HydrophobicContact CD1-CD2 4.17Å; I487-L595 HydrophobicContact CD1-CG 3.88Å; I487-L595 HydrophobicContact CG1-CD2 4.44Å; I487-K619 PolarHBondContact O-NZ 3.11Å; I487-I620 HydrophobicContact CD1-CB 3.82Å; I487-I620 HydrophobicContact CD1-CD1 3.98Å; I487-I620 HydrophobicContact CD1-CG1 4.23Å; I487-F623 HydrophobicContact CD1-CZ 4.48Å; I487-F623 HydrophobicContact CG2-CE2 4.12Å; I487-F623 HydrophobicContact CG2-CZ 3.74Å
488	I	91.9	Very high	88.5	Confident	5 Å²	5	33 Å²	33	3%	0.026	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-65.1	130	173.1	-161.7	73.9	0	0	0	109.6	M478 M504 E505 I507 L611 K619 I620 F623	M478-I488 HydrophobicContact CE-CG2 3.61Å; M478-I488 WeakPolarHBondContact CE-O 3.4Å; M478-I488 HydrophobicContact SD-CG2 3.89Å; I488-M504 HydrophobicContact CG1-CB 4.41Å; I488-E505 WeakPolarHBondContact CA-OE1 3.48Å; I488-E505 HydrophobicContact CD1-CG 3.35Å; I488-E505 HydrophobicContact CG1-CG 3.99Å; I488-I507 HydrophobicContact CD1-CD1 4.01Å; I488-I507 HydrophobicContact CD1-CG1 3.38Å; I488-L611 HydrophobicContact CD1-CD1 4.1Å; I488-K619 HydrophobicContact CD1-CB 4.47Å; I488-I620 WeakPolarHBondContact CB-O 3.44Å; I488-I620 WeakPolarHBondContact CG2-O 3.18Å; I488-I620 PolarHBondContact N-O 3.49Å; I488-F623 HydrophobicContact CG2-CD2 4.45Å; I488-F623 HydrophobicContact CG2-CE2 4.04Å
489	Q	88.3	Confident	88.3	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.037	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-88	130.2	-179.9	178	66.5	67.7	0	0	110.5	R446 G482 N483 I487 Y491 M504 E505	R446-Q489 VanDerWaalsContact NH2-NE2 3.15Å; G482-Q489 PolarHBondContact O-NE2 3.06Å; G482-Q489 PolarHBondContact O-OE1 3.23Å; N483-Q489 PolarHBondContact OD1-OE1 3.44Å; I487-Q489 PolarHBondContact O-N 3.47Å; Q489-Y491 HydrophobicContact CB-CE1 4.32Å; Q489-Y491 HydrophobicContact CG-CD1 3.79Å; Q489-Y491 HydrophobicContact CG-CE1 3.65Å; Q489-M504 CarbonylContact O-C 3.55Å; Q489-M504 VanDerWaalsContact O-CA 3.3Å; Q489-M504 WeakPolarHBondContact O-CA 3.31Å; Q489-E505 HydrophobicContact CB-CG 4.34Å; Q489-E505 WeakPolarHBondContact CB-OE1 3.29Å; Q489-E505 PolarHBondContact N-OE1 3.3Å; Q489-E505 PolarHBondContact O-N 3.27Å
490	M	91.3	Very high	88.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.5	162.6	-168.1	-179.1	103.4	0	0	110.6	F416 R446 I475 M478 K479 C493 M502 V503	F416-M490 HydrophobicContact CB-CE 3.67Å; F416-M490 HydrophobicContact CD1-CE 3.51Å; F416-M490 HydrophobicContact CE1-CE 4.21Å; F416-M490 HydrophobicContact CG-CE 3.7Å; R446-M490 PolarHBondContact NH2-O 3.31Å; I475-M490 HydrophobicContact CG2-CE 4.07Å; I475-M490 HydrophobicContact CG2-SD 4.03Å; M478-M490 HydrophobicContact CB-CB 4.09Å; M478-M490 HydrophobicContact CB-SD 4Å; M478-M490 HydrophobicContact CE-CB 3.76Å; K479-M490 HydrophobicContact CD-CE 4.29Å; K479-M490 HydrophobicContact CG-CE 3.55Å; K479-M490 HydrophobicContact CG-SD 4.44Å; M490-C493 HydrophobicContact CE-CB 4.28Å; M490-M502 HydrophobicContact CG-CG 4Å; M490-M502 HydrophobicContact CG-SD 4.47Å; M490-M502 HydrophobicContact SD-CG 3.82Å; M490-M502 HydrophobicContact SD-SD 3.95Å; M490-V503 WeakPolarHBondContact CG-O 3.3Å
491	Y	88.9	Confident	88.6	Confident	53 Å²	53	29 Å²	29	21%	0.208	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-34.4	175.4	-63.8	-44.1	0	0	0	112.8	I445 L452 V454 Q489 V503 E505	I445-Y491 HydrophobicContact CD1-CD2 4.49Å; L452-Y491 HydrophobicContact CD2-CD2 3.69Å; L452-Y491 HydrophobicContact CD2-CE1 4.44Å; L452-Y491 HydrophobicContact CD2-CE2 3.39Å; L452-Y491 HydrophobicContact CD2-CG 4.3Å; L452-Y491 HydrophobicContact CG-CE2 4.26Å; V454-Y491 HydrophobicContact CG1-CD2 3.8Å; V454-Y491 HydrophobicContact CG1-CE2 4.12Å; Q489-Y491 HydrophobicContact CB-CE1 4.32Å; Q489-Y491 HydrophobicContact CG-CD1 3.79Å; Q489-Y491 HydrophobicContact CG-CE1 3.65Å; Y491-V503 PolarHBondContact N-O 2.9Å; Y491-E505 VanDerWaalsContact CE2-CA 3.42Å; Y491-E505 HydrophobicContact CE2-CB 3.69Å; Y491-E505 VanDerWaalsContact OH-CB 3.31Å; Y491-E505 WeakPolarHBondContact OH-CB 3.42Å
492	G	92.4	Very high	88.8	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	-178.7	179.2	0	0	0	0	0	112.8	F416 V503	F416-G492 CarbonylContact O-C 3.55Å; F416-G492 WeakPolarHBondContact O-CA 3.37Å; G492-V503 PolarHBondContact N-O 2.76Å; G492-V503 WeakPolarHBondContact O-CA 3.32Å; G492-V503 WeakPolarHBondContact O-CB 3.44Å; G492-V503 PolarHBondContact O-N 2.88Å
493	C	94.8	Very high	89.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.6	175.3	55.6	0	0	0	0	111	F416 E417 I418 I475 M490 T495 C501	F416-C493 PolarHBondContact O-N 3.12Å; E417-C493 WeakPolarHBondContact CA-O 3.49Å; I418-C493 WeakPolarHBondContact CG1-O 3.3Å; I418-C493 PolarHBondContact N-O 3.31Å; I475-C493 HydrophobicContact CD1-CB 4.08Å; I475-C493 HydrophobicContact CG2-CB 4.14Å; M490-C493 HydrophobicContact CE-CB 4.28Å; C493-T495 HydrophobicContact CB-CG2 4.07Å; C493-C501 CarbonylContact C-O 3.51Å; C493-C501 VanDerWaalsContact CA-O 3.25Å; C493-C501 WeakPolarHBondContact CA-O 3.28Å; C493-C501 WeakPolarHBondContact CB-O 3.44Å
494	V	92.8	Very high	89.8	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	107.8	166.8	-175.6	0	0	0	0	105.7	I418 Y420 L423 Q497 N500 C501	I418-V494 HydrophobicContact CG1-CG2 4.05Å; Y420-V494 HydrophobicContact CD2-CG1 4.25Å; Y420-V494 HydrophobicContact CD2-CG2 4.47Å; L423-V494 HydrophobicContact CD1-CG2 3.87Å; V494-Q497 HydrophobicContact CG1-CB 4.1Å; V494-N500 CarbonylContact O-C 3.41Å; V494-N500 WeakPolarHBondContact O-CA 3.08Å; V494-N500 WeakPolarHBondContact O-CB 3.34Å; V494-C501 HydrophobicContact CB-CB 4.1Å; V494-C501 HydrophobicContact CG2-CB 4.22Å; V494-C501 PolarHBondContact N-O 3.06Å; V494-C501 PolarHBondContact O-N 3.41Å
495	T	92	Very high	89.9	Confident	42 Å²	42	24 Å²	24	26%	0.258	13%	0.126	S	C	.	.			trans	-123.9	-20.1	-178.4	63.7	0	0	0	0	112.7	E417 I475 C493 N500	E417-T495 PolarHBondContact OE1-N 3.41Å; E417-T495 PolarHBondContact OE2-N 3.15Å; E417-T495 PolarHBondContact OE2-OG1 3.34Å; I475-T495 HydrophobicContact CD1-CG2 3.93Å; C493-T495 HydrophobicContact CB-CG2 4.07Å; T495-N500 WeakPolarHBondContact CA-ND2 3.36Å; T495-N500 PolarHBondContact O-ND2 3.32Å
496	L	87.3	Confident	90.2	Very high	79 Å²	79	25.2 Å²	25.2	41%	0.414	13%	0.127	S	C	.	.	S	Bend	trans	-77.4	-20.7	176.2	-64.7	-178.9	0	0	0	113.5	I404 A407 T413 E417	I404-L496 HydrophobicContact CG1-CD1 4.36Å; A407-L496 HydrophobicContact CB-CD1 3.73Å; T413-L496 HydrophobicContact CG2-CD1 4.12Å; E417-L496 HydrophobicContact CG-CD1 3.92Å; E417-L496 HydrophobicContact CG-CG 4.06Å; E417-L496 WeakPolarHBondContact OE1-CG 3.49Å; E417-L496 PolarHBondContact OE1-N 2.96Å
497	Q	82	Confident	89.8	Confident	67 Å²	67	26 Å²	26	31%	0.313	13%	0.131	S	C	.	.	S	Bend	trans	-124.9	147.2	-179.3	-63.9	178	-0.4	0	0	110.7	V494 P499 N500	V494-Q497 HydrophobicContact CG1-CB 4.1Å; Q497-P499 CarbonylContact O-C 3.47Å; Q497-N500 PolarHBondContact O-ND2 3.48Å
498	D	83	Confident	89.2	Confident	118 Å²	118	27.7 Å²	27.7	63%	0.631	14%	0.142	S	C	*	.	S	Bend	trans	-92.1	141.6	171.5	-82.7	-37.7	0	0	0	111
499	P	87.2	Confident	88.7	Confident	39 Å²	39	29.6 Å²	29.6	25%	0.253	15%	0.149	S	C	.	.	S	Bend	cis	-78.3	139.7	-1.3	32	-35.2	0	0	0	112.6	Y420 Q458 Q497 C501	Y420-P499 HydrophobicContact CE2-CG 4.26Å; Q458-P499 HydrophobicContact CG-CB 3.94Å; Q458-P499 HydrophobicContact CG-CG 3.99Å; Q497-P499 CarbonylContact O-C 3.47Å; P499-C501 PolarHBondContact O-N 3.48Å; P499-C501 PolarHBondContact O-SG 3.27Å
500	N	91.7	Very high	88.6	Confident	8 Å²	8	30.7 Å²	30.7	4%	0.043	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-61.7	139.2	176.3	-59.9	153.6	0	0	0	112.2	I459 F471 V494 T495 Q497	I459-N500 HydrophobicContact CG2-CB 3.98Å; I459-N500 PolarHBondContact N-O 3.42Å; I459-N500 VanDerWaalsContact N-O 3.09Å; F471-N500 HydrophobicContact CD1-CB 4.24Å; F471-N500 HydrophobicContact CE1-CB 3.96Å; V494-N500 CarbonylContact O-C 3.41Å; V494-N500 WeakPolarHBondContact O-CA 3.08Å; V494-N500 WeakPolarHBondContact O-CB 3.34Å; T495-N500 WeakPolarHBondContact CA-ND2 3.36Å; T495-N500 PolarHBondContact O-ND2 3.32Å; Q497-N500 PolarHBondContact O-ND2 3.48Å
501	C	94.1	Very high	88.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.7	-176.5	-64.1	0	0	0	0	111.6	L423 I456 K457 C493 V494 P499	L423-C501 HydrophobicContact CD1-CB 4.38Å; I456-C501 HydrophobicContact CG2-CB 4Å; K457-C501 CarbonylContact O-C 3.52Å; K457-C501 WeakPolarHBondContact O-CA 3.38Å; C493-C501 CarbonylContact C-O 3.51Å; C493-C501 VanDerWaalsContact CA-O 3.25Å; C493-C501 WeakPolarHBondContact CA-O 3.28Å; C493-C501 WeakPolarHBondContact CB-O 3.44Å; V494-C501 HydrophobicContact CB-CB 4.1Å; V494-C501 HydrophobicContact CG2-CB 4.22Å; V494-C501 PolarHBondContact N-O 3.06Å; V494-C501 PolarHBondContact O-N 3.41Å; P499-C501 PolarHBondContact O-N 3.48Å; P499-C501 PolarHBondContact O-SG 3.27Å
502	M	93.7	Very high	88.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.7	167.8	-179.7	171.9	55.8	0	0	108.8	I456 K457 F471 E474 I475 M478 M490 M504	I456-M502 WeakPolarHBondContact CA-O 3.5Å; K457-M502 HydrophobicContact CB-CB 4.42Å; K457-M502 HydrophobicContact CB-CE 4.38Å; K457-M502 HydrophobicContact CD-CE 3.76Å; K457-M502 PolarHBondContact N-O 2.97Å; K457-M502 PolarHBondContact O-N 2.83Å; F471-M502 HydrophobicContact CE2-CB 4.33Å; F471-M502 HydrophobicContact CZ-CB 3.8Å; E474-M502 HydrophobicContact CG-CE 4.08Å; I475-M502 HydrophobicContact CD1-CB 4.34Å; I475-M502 HydrophobicContact CG1-CB 4Å; I475-M502 HydrophobicContact CG1-CG 4.07Å; I475-M502 HydrophobicContact CG1-SD 3.8Å; M478-M502 HydrophobicContact CB-SD 4.35Å; M478-M502 HydrophobicContact CG-SD 4Å; M490-M502 HydrophobicContact CG-CG 4Å; M490-M502 HydrophobicContact CG-SD 4.47Å; M490-M502 HydrophobicContact SD-CG 3.82Å; M490-M502 HydrophobicContact SD-SD 3.95Å; M502-M504 HydrophobicContact CE-CE 4.28Å; M502-M504 HydrophobicContact CE-CG 4.48Å; M502-M504 HydrophobicContact CE-SD 3.7Å; M502-M504 HydrophobicContact CG-CG 4.06Å; M502-M504 HydrophobicContact CG-SD 4.47Å; M502-M504 HydrophobicContact SD-CG 4.49Å; M502-M504 HydrophobicContact SD-SD 4.36Å
503	V	93	Very high	88.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.9	-174.6	-173.8	0	0	0	0	109.3	I418 L423 A442 I445 V454 M490 Y491 G492	I418-V503 HydrophobicContact CD1-CG2 3.9Å; L423-V503 HydrophobicContact CD1-CG2 3.97Å; L423-V503 HydrophobicContact CD2-CG1 4.45Å; L423-V503 HydrophobicContact CD2-CG2 3.85Å; A442-V503 HydrophobicContact CB-CG1 4.36Å; I445-V503 HydrophobicContact CD1-CG1 4.24Å; V454-V503 HydrophobicContact CB-CG1 3.77Å; V454-V503 HydrophobicContact CG1-CG1 3.83Å; V454-V503 HydrophobicContact CG2-CG1 3.89Å; M490-V503 WeakPolarHBondContact CG-O 3.3Å; Y491-V503 PolarHBondContact N-O 2.9Å; G492-V503 PolarHBondContact N-O 2.76Å; G492-V503 WeakPolarHBondContact O-CA 3.32Å; G492-V503 WeakPolarHBondContact O-CB 3.44Å; G492-V503 PolarHBondContact O-N 2.88Å
504	M	92.8	Very high	88.6	Confident	22 Å²	22	36.6 Å²	36.6	11%	0.108	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	165.3	-173.4	-58.3	172.4	-69.2	0	0	111	V454 A455 K457 I488 Q489 M502	V454-M504 CarbonylContact C-O 3.57Å; V454-M504 WeakPolarHBondContact CA-O 3.38Å; V454-M504 WeakPolarHBondContact CB-O 3.47Å; A455-M504 HydrophobicContact CB-CB 4.46Å; A455-M504 HydrophobicContact CB-CE 4.38Å; A455-M504 PolarHBondContact N-O 2.85Å; A455-M504 PolarHBondContact O-N 3.2Å; K457-M504 HydrophobicContact CB-CE 3.82Å; I488-M504 HydrophobicContact CG1-CB 4.41Å; Q489-M504 CarbonylContact O-C 3.55Å; Q489-M504 VanDerWaalsContact O-CA 3.3Å; Q489-M504 WeakPolarHBondContact O-CA 3.31Å; M502-M504 HydrophobicContact CE-CE 4.28Å; M502-M504 HydrophobicContact CE-CG 4.48Å; M502-M504 HydrophobicContact CE-SD 3.7Å; M502-M504 HydrophobicContact CG-CG 4.06Å; M502-M504 HydrophobicContact CG-SD 4.47Å; M502-M504 HydrophobicContact SD-CG 4.49Å; M502-M504 HydrophobicContact SD-SD 4.36Å
505	E	87.3	Confident	88.3	Confident	26 Å²	26	36.8 Å²	36.8	12%	0.121	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	141.9	167.4	72.3	-178.1	127.1	0	0	111.7	I488 Q489 Y491 I507 K619	I488-E505 WeakPolarHBondContact CA-OE1 3.48Å; I488-E505 HydrophobicContact CD1-CG 3.35Å; I488-E505 HydrophobicContact CG1-CG 3.99Å; Q489-E505 HydrophobicContact CB-CG 4.34Å; Q489-E505 WeakPolarHBondContact CB-OE1 3.29Å; Q489-E505 PolarHBondContact N-OE1 3.3Å; Q489-E505 PolarHBondContact O-N 3.27Å; Y491-E505 VanDerWaalsContact CE2-CA 3.42Å; Y491-E505 HydrophobicContact CE2-CB 3.69Å; Y491-E505 VanDerWaalsContact OH-CB 3.31Å; Y491-E505 WeakPolarHBondContact OH-CB 3.42Å; E505-I507 HydrophobicContact CG-CD1 3.82Å; E505-I507 HydrophobicContact CG-CG1 4.31Å; E505-K619 VanDerWaalsContact CD-CE 3.49Å; E505-K619 VanDerWaalsContact CD-NZ 3.35Å; E505-K619 WeakPolarHBondContact OE1-CD 3.24Å; E505-K619 VanDerWaalsContact OE1-CE 3.26Å; E505-K619 WeakPolarHBondContact OE1-CE 3.21Å; E505-K619 IonicContact OE1-NZ 3.73Å; E505-K619 PolarHBondContact OE1-NZ 3.23Å; E505-K619 WeakPolarHBondContact OE2-CE 3.26Å; E505-K619 IonicContact OE2-NZ 3.67Å; E505-K619 PolarHBondContact OE2-NZ 3.26Å
506	Y	85.8	Confident	88.1	Confident	60 Å²	60	34.8 Å²	34.8	24%	0.235	18%	0.183	C	C	.	.			trans	-88.3	125.9	175.3	172	-108.7	0	0	0	110.7	I429 I439 T453 P508	I429-Y506 HydrophobicContact CD1-CD2 3.88Å; I429-Y506 HydrophobicContact CD1-CE2 3.84Å; I439-Y506 HydrophobicContact CB-CD2 4.47Å; I439-Y506 HydrophobicContact CB-CE2 4.37Å; I439-Y506 HydrophobicContact CD1-CD1 4.06Å; I439-Y506 HydrophobicContact CD1-CD2 4Å; I439-Y506 HydrophobicContact CD1-CE1 3.75Å; I439-Y506 HydrophobicContact CD1-CE2 3.68Å; I439-Y506 HydrophobicContact CD1-CG 4.18Å; I439-Y506 HydrophobicContact CG1-CD2 3.94Å; I439-Y506 HydrophobicContact CG1-CE2 4.02Å; I439-Y506 HydrophobicContact CG1-CG 4.23Å; T453-Y506 HydrophobicContact CG2-CD1 4Å; T453-Y506 HydrophobicContact CG2-CG 4.23Å; Y506-P508 HydrophobicContact CE1-CB 3.9Å
507	I	85.5	Confident	88.1	Confident	17 Å²	17	35 Å²	35	9%	0.087	18%	0.181	C	C	.	.			trans	-108.9	114	179.7	-55.9	-55.4	0	0	0	109.9	I488 E505 Y509 L611 V612 K619	I488-I507 HydrophobicContact CD1-CD1 4.01Å; I488-I507 HydrophobicContact CD1-CG1 3.38Å; E505-I507 HydrophobicContact CG-CD1 3.82Å; E505-I507 HydrophobicContact CG-CG1 4.31Å; I507-Y509 PolarHBondContact O-N 3.11Å; I507-L611 HydrophobicContact CB-CB 3.82Å; I507-L611 HydrophobicContact CB-CD1 3.99Å; I507-L611 HydrophobicContact CG1-CB 4.14Å; I507-L611 HydrophobicContact CG1-CD1 4.04Å; I507-L611 HydrophobicContact CG2-CB 3.51Å; I507-V612 WeakPolarHBondContact CG2-O 3.41Å; I507-K619 HydrophobicContact CD1-CD 3.48Å; I507-K619 VanDerWaalsContact CD1-CD 3.48Å; I507-K619 HydrophobicContact CG1-CD 4.27Å
508	P	77.4	Confident	88.1	Confident	37 Å²	37	33.2 Å²	33.2	24%	0.24	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-22.4	-160	25.6	-36.6	0	0	0	117	Y506 R614	Y506-P508 HydrophobicContact CE1-CB 3.9Å; P508-R614 HydrophobicContact CG-CG 3.91Å
509	Y	81.2	Confident	87.8	Confident	44 Å²	44	28 Å²	28	17%	0.173	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	10.5	-172.6	-49.5	-53.7	0	0	0	114.5	E66 I507 L572 V612 G613	E66-Y509 WeakPolarHBondContact OE1-CE2 3.49Å; E66-Y509 PolarHBondContact OE1-OH 2.95Å; E66-Y509 PolarHBondContact OE2-OH 3.32Å; I507-Y509 PolarHBondContact O-N 3.11Å; Y509-L572 HydrophobicContact CD2-CD2 4.44Å; Y509-L572 HydrophobicContact CE1-CD1 4.08Å; Y509-L572 HydrophobicContact CE2-CD1 4.27Å; Y509-L572 HydrophobicContact CE2-CD2 4.31Å; Y509-V612 WeakPolarHBondContact CA-O 3.24Å; Y509-V612 WeakPolarHBondContact CB-O 3.18Å; Y509-V612 HydrophobicContact CD2-CG1 4.2Å; Y509-V612 WeakPolarHBondContact CD2-O 3.46Å; Y509-V612 PolarHBondContact N-O 3.32Å; Y509-G613 VanDerWaalsContact CD2-O 3.27Å; Y509-G613 WeakPolarHBondContact CD2-O 3.43Å; Y509-G613 VanDerWaalsContact CE2-O 3.29Å; Y509-G613 WeakPolarHBondContact CE2-O 3.31Å
510	G	86.9	Confident	87.5	Confident	32 Å²	32	29.4 Å²	29.4	33%	0.33	15%	0.147	S	C	.	.			trans	70	-154.6	179.3	0	0	0	0	0	112.2	L611 V612	G510-L611 CarbonylContact O-C 3.43Å; G510-L611 VanDerWaalsContact O-CA 3.28Å; G510-L611 WeakPolarHBondContact O-CA 3.18Å; G510-V612 PolarHBondContact O-N 2.65Å
511	D	91.3	Very high	86.8	Confident	48 Å²	48	35.1 Å²	35.1	26%	0.257	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-81.1	152.7	-176.5	65.6	92.9	0	0	0	113.8	L513 Q514 Y515 R608 V610 L611	D511-L513 VanDerWaalsContact C-N 3.3Å; D511-L513 PolarHBondContact O-N 2.97Å; D511-L513 WeakPolarHBondContact OD1-CB 3.09Å; D511-L513 PolarHBondContact OD1-N 3.07Å; D511-Q514 PolarHBondContact O-N 3.16Å; D511-Q514 WeakPolarHBondContact OD1-CB 3.33Å; D511-Q514 PolarHBondContact OD1-N 3.11Å; D511-Y515 WeakPolarHBondContact O-CB 3.5Å; D511-Y515 PolarHBondContact O-N 3.44Å; D511-R608 VanDerWaalsContact CB-O 3.24Å; D511-R608 WeakPolarHBondContact CB-O 3.43Å; D511-V610 CarbonylContact C-O 3.47Å; D511-V610 WeakPolarHBondContact CA-O 3.35Å; D511-L611 HydrophobicContact CB-CD2 4.24Å
512	L	94.2	Very high	85.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-33.6	-177.7	176.2	65.5	0	0	0	111.3	Y515 L516 F584 I588 A607 V610 V612 L618 I670	L512-Y515 HydrophobicContact CD1-CD1 4.49Å; L512-Y515 WeakPolarHBondContact O-CB 3.34Å; L512-Y515 PolarHBondContact O-N 3.15Å; L512-L516 HydrophobicContact CD1-CD1 4.13Å; L512-L516 HydrophobicContact CD1-CD2 4.32Å; L512-L516 HydrophobicContact CD1-CG 3.9Å; L512-L516 HydrophobicContact CD2-CD1 4.46Å; L512-L516 HydrophobicContact CG-CD1 3.86Å; L512-L516 HydrophobicContact CG-CG 4.12Å; L512-L516 WeakPolarHBondContact O-CB 3.43Å; L512-L516 WeakPolarHBondContact O-CG 3.45Å; L512-L516 PolarHBondContact O-N 3.48Å; L512-F584 HydrophobicContact CD1-CD2 3.66Å; L512-F584 HydrophobicContact CD1-CE2 3.7Å; L512-I588 HydrophobicContact CD2-CD1 3.92Å; L512-A607 WeakPolarHBondContact CB-O 3.38Å; L512-A607 HydrophobicContact CD2-CB 4.37Å; L512-A607 HydrophobicContact CG-CB 4.41Å; L512-A607 PolarHBondContact N-O 2.86Å; L512-V610 HydrophobicContact CB-CB 4.03Å; L512-V610 HydrophobicContact CB-CG1 4.22Å; L512-V610 WeakPolarHBondContact CB-O 3.19Å; L512-V610 HydrophobicContact CD2-CB 4.22Å; L512-V610 HydrophobicContact CD2-CG1 4.12Å; L512-V610 PolarHBondContact N-O 3.34Å; L512-V612 HydrophobicContact CB-CG2 3.95Å; L512-V612 HydrophobicContact CD1-CG2 3.91Å; L512-L618 HydrophobicContact CD1-CD1 4.45Å; L512-L618 HydrophobicContact CD1-CD2 4.22Å; L512-L618 HydrophobicContact CD2-CD1 4.04Å; L512-I670 HydrophobicContact CD2-CG1 4.34Å
513	L	92.9	Very high	84.5	Confident	30 Å²	30	40.3 Å²	40.3	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-48.9	177.2	177.3	63.6	0	0	0	111.2	D511 Y515 L516 K517 A607 R608	D511-L513 VanDerWaalsContact C-N 3.3Å; D511-L513 PolarHBondContact O-N 2.97Å; D511-L513 WeakPolarHBondContact OD1-CB 3.09Å; D511-L513 PolarHBondContact OD1-N 3.07Å; L513-Y515 VanDerWaalsContact C-N 3.32Å; L513-L516 PolarHBondContact O-N 3.45Å; L513-K517 HydrophobicContact CD1-CD 4.42Å; L513-K517 HydrophobicContact CG-CD 4.41Å; L513-K517 WeakPolarHBondContact O-CB 3.45Å; L513-K517 WeakPolarHBondContact O-CG 3.43Å; L513-K517 PolarHBondContact O-N 3.27Å; L513-A607 HydrophobicContact CB-CB 4.02Å; L513-A607 PolarHBondContact N-O 2.78Å; L513-R608 HydrophobicContact CB-CB 4.32Å; L513-R608 HydrophobicContact CD2-CB 4.11Å
514	Q	88.8	Confident	83.4	Confident	99 Å²	99	43.2 Å²	43.2	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-67.3	-35.5	177.2	-173.9	59.7	22.3	0	0	111.8	D511 T518	D511-Q514 PolarHBondContact O-N 3.16Å; D511-Q514 WeakPolarHBondContact OD1-CB 3.33Å; D511-Q514 PolarHBondContact OD1-N 3.11Å; Q514-T518 WeakPolarHBondContact O-CB 2.95Å; Q514-T518 PolarHBondContact O-N 2.87Å; Q514-T518 PolarHBondContact O-OG1 3.24Å
515	Y	87	Confident	82.3	Confident	5 Å²	5	47.9 Å²	47.9	2%	0.02	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-52.8	172.8	-174.1	-83.4	0	0	0	111.3	D511 L512 L513 K517 T518 V519 L572 Y574 L576 F584 V612	D511-Y515 WeakPolarHBondContact O-CB 3.5Å; D511-Y515 PolarHBondContact O-N 3.44Å; L512-Y515 HydrophobicContact CD1-CD1 4.49Å; L512-Y515 WeakPolarHBondContact O-CB 3.34Å; L512-Y515 PolarHBondContact O-N 3.15Å; L513-Y515 VanDerWaalsContact C-N 3.32Å; Y515-K517 PolarHBondContact O-N 2.77Å; Y515-T518 WeakPolarHBondContact O-CA 3.46Å; Y515-T518 WeakPolarHBondContact O-CB 3.41Å; Y515-T518 PolarHBondContact O-N 2.98Å; Y515-V519 HydrophobicContact CD1-CG2 3.95Å; Y515-V519 HydrophobicContact CE1-CG2 3.69Å; Y515-V519 WeakPolarHBondContact O-CG2 3.42Å; Y515-V519 PolarHBondContact O-N 3.36Å; Y515-L572 HydrophobicContact CE2-CD2 3.6Å; Y515-Y574 HydrophobicContact CD2-CD1 4.25Å; Y515-Y574 AromaticContact CD2-CE1 3.87Å; Y515-Y574 HydrophobicContact CD2-CE1 3.87Å; Y515-Y574 AromaticContact CE2-CD1 3.96Å; Y515-Y574 HydrophobicContact CE2-CD1 3.96Å; Y515-Y574 AromaticContact CE2-CE1 3.84Å; Y515-Y574 HydrophobicContact CE2-CE1 3.84Å; Y515-L576 HydrophobicContact CE1-CD1 4.01Å; Y515-L576 HydrophobicContact CE1-CD2 4.13Å; Y515-L576 HydrophobicContact CE1-CG 4.29Å; Y515-F584 HydrophobicContact CD1-CE2 4.35Å; Y515-F584 HydrophobicContact CE1-CE2 4.13Å; Y515-F584 HydrophobicContact CE1-CZ 4.18Å; Y515-V612 HydrophobicContact CD2-CB 4.17Å; Y515-V612 HydrophobicContact CD2-CG1 3.92Å; Y515-V612 HydrophobicContact CD2-CG2 4.15Å; Y515-V612 HydrophobicContact CE2-CG1 3.96Å; Y515-V612 HydrophobicContact CG-CB 4.48Å; Y515-V612 HydrophobicContact CG-CG1 4.39Å; Y515-V612 HydrophobicContact CG-CG2 3.97Å
516	L	88	Confident	81.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-42.4	179.2	-70.4	170.6	0	0	0	112.1	L512 L513 T518 V519 R520 L576 L581 I670 L673	L512-L516 HydrophobicContact CD1-CD1 4.13Å; L512-L516 HydrophobicContact CD1-CD2 4.32Å; L512-L516 HydrophobicContact CD1-CG 3.9Å; L512-L516 HydrophobicContact CD2-CD1 4.46Å; L512-L516 HydrophobicContact CG-CD1 3.86Å; L512-L516 HydrophobicContact CG-CG 4.12Å; L512-L516 WeakPolarHBondContact O-CB 3.43Å; L512-L516 WeakPolarHBondContact O-CG 3.45Å; L512-L516 PolarHBondContact O-N 3.48Å; L513-L516 PolarHBondContact O-N 3.45Å; L516-T518 PolarHBondContact O-N 2.74Å; L516-V519 WeakPolarHBondContact O-CB 3.33Å; L516-V519 PolarHBondContact O-N 2.78Å; L516-R520 PolarHBondContact O-N 2.83Å; L516-L576 HydrophobicContact CD2-CD1 3.98Å; L516-L581 HydrophobicContact CD2-CD2 4.25Å; L516-I670 HydrophobicContact CD1-CG1 4.23Å; L516-L673 CarbonylContact C-O 3.36Å; L516-L673 HydrophobicContact CD2-CD2 4.04Å
517	K	86.6	Confident	80.2	Confident	84 Å²	84	53 Å²	53	37%	0.365	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-32.6	173.9	-76.1	178.1	175.8	176.1	0	112.8	L513 Y515 K521 G674	L513-K517 HydrophobicContact CD1-CD 4.42Å; L513-K517 HydrophobicContact CG-CD 4.41Å; L513-K517 WeakPolarHBondContact O-CB 3.45Å; L513-K517 WeakPolarHBondContact O-CG 3.43Å; L513-K517 PolarHBondContact O-N 3.27Å; Y515-K517 PolarHBondContact O-N 2.77Å; K517-K521 WeakPolarHBondContact O-CG 3.23Å; K517-K521 PolarHBondContact O-N 2.92Å; K517-G674 VanDerWaalsContact CE-O 3.24Å; K517-G674 WeakPolarHBondContact CE-O 3.32Å
518	T	81.1	Confident	79	Confident	29 Å²	29	54.6 Å²	54.6	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-71.9	-42.5	175.9	-55.5	0	0	0	0	110.9	Q514 Y515 L516 R520 K521 E522 Y574	Q514-T518 WeakPolarHBondContact O-CB 2.95Å; Q514-T518 PolarHBondContact O-N 2.87Å; Q514-T518 PolarHBondContact O-OG1 3.24Å; Y515-T518 WeakPolarHBondContact O-CA 3.46Å; Y515-T518 WeakPolarHBondContact O-CB 3.41Å; Y515-T518 PolarHBondContact O-N 2.98Å; L516-T518 PolarHBondContact O-N 2.74Å; T518-R520 PolarHBondContact O-N 2.87Å; T518-K521 PolarHBondContact O-N 2.96Å; T518-E522 PolarHBondContact O-N 2.87Å; T518-E522 VanDerWaalsContact O-N 3.1Å; T518-Y574 HydrophobicContact CG2-CD1 3.88Å; T518-Y574 HydrophobicContact CG2-CD2 3.75Å; T518-Y574 HydrophobicContact CG2-CE1 3.72Å; T518-Y574 HydrophobicContact CG2-CE2 3.6Å; T518-Y574 HydrophobicContact CG2-CG 3.91Å
519	V	78.1	Confident	78.1	Confident	8 Å²	8	56.3 Å²	56.3	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-56.3	-49.3	171.7	173.1	0	0	0	0	110.9	Y515 L516 K521 E522 Y523 Y574 L576 L673	Y515-V519 HydrophobicContact CD1-CG2 3.95Å; Y515-V519 HydrophobicContact CE1-CG2 3.69Å; Y515-V519 WeakPolarHBondContact O-CG2 3.42Å; Y515-V519 PolarHBondContact O-N 3.36Å; L516-V519 WeakPolarHBondContact O-CB 3.33Å; L516-V519 PolarHBondContact O-N 2.78Å; V519-K521 VanDerWaalsContact C-N 3.35Å; V519-K521 PolarHBondContact O-N 3.25Å; V519-E522 PolarHBondContact O-N 2.68Å; V519-E522 VanDerWaalsContact O-N 3.16Å; V519-Y523 PolarHBondContact O-N 3.49Å; V519-Y574 WeakPolarHBondContact CG1-O 3.29Å; V519-Y574 HydrophobicContact CG2-CD1 4.02Å; V519-Y574 HydrophobicContact CG2-CG 4.44Å; V519-Y574 WeakPolarHBondContact CG2-O 3.42Å; V519-L576 HydrophobicContact CB-CD1 4.37Å; V519-L576 HydrophobicContact CG1-CB 4.29Å; V519-L576 HydrophobicContact CG1-CD1 4.05Å; V519-L576 HydrophobicContact CG1-CG 4.14Å; V519-L576 HydrophobicContact CG2-CD1 3.78Å; V519-L576 HydrophobicContact CG2-CG 3.98Å; V519-L673 HydrophobicContact CG1-CD1 4.37Å; V519-L673 HydrophobicContact CG1-CD2 4.28Å
520	R	80.1	Confident	76.6	Confident	69 Å²	69	57.8 Å²	57.8	26%	0.26	29%	0.289	S	S	.	.	H	α-helix	trans	-54.3	-48.6	177.3	-179	175	173.3	157.6	4.3	111.9	L516 T518 E522 Y523 E524 L673	L516-R520 PolarHBondContact O-N 2.83Å; T518-R520 PolarHBondContact O-N 2.87Å; R520-E522 VanDerWaalsContact C-N 3.34Å; R520-E522 PolarHBondContact O-N 2.72Å; R520-Y523 WeakPolarHBondContact O-CB 3.49Å; R520-Y523 PolarHBondContact O-N 2.9Å; R520-E524 HydrophobicContact CG-CG 4.39Å; R520-E524 WeakPolarHBondContact CG-OE1 3.44Å; R520-E524 IonicContact CZ-OE1 2.79Å; R520-E524 IonicContact NE-OE1 3.24Å; R520-E524 PolarHBondContact NE-OE1 3.35Å; R520-E524 IonicContact NH2-OE1 2.78Å; R520-E524 WeakPolarHBondContact O-CB 3.43Å; R520-E524 WeakPolarHBondContact O-CG 3.49Å; R520-E524 PolarHBondContact O-N 2.75Å; R520-L673 HydrophobicContact CB-CB 3.9Å; R520-L673 HydrophobicContact CB-CD1 4.36Å
521	K	76.7	Confident	74.7	Confident	128 Å²	128	61 Å²	61	56%	0.557	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-39.6	178.5	-74.4	174.1	-178.1	179.8	0	113	K517 T518 V519 K525	K517-K521 WeakPolarHBondContact O-CG 3.23Å; K517-K521 PolarHBondContact O-N 2.92Å; T518-K521 PolarHBondContact O-N 2.96Å; V519-K521 VanDerWaalsContact C-N 3.35Å; V519-K521 PolarHBondContact O-N 3.25Å; K521-K525 VanDerWaalsContact O-CB 3.31Å; K521-K525 WeakPolarHBondContact O-CB 3.46Å; K521-K525 PolarHBondContact O-N 3.4Å
522	E	72.2	Confident	72.6	Confident	48 Å²	48	65.8 Å²	65.8	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-70.7	-36	177.5	-68.4	-63.3	160.6	0	0	111.5	T518 V519 R520 K525 R526 R571	T518-E522 PolarHBondContact O-N 2.87Å; T518-E522 VanDerWaalsContact O-N 3.1Å; V519-E522 PolarHBondContact O-N 2.68Å; V519-E522 VanDerWaalsContact O-N 3.16Å; R520-E522 VanDerWaalsContact C-N 3.34Å; R520-E522 PolarHBondContact O-N 2.72Å; E522-K525 PolarHBondContact O-N 3.43Å; E522-R526 WeakPolarHBondContact O-CG 3.37Å; E522-R526 PolarHBondContact O-N 3.39Å; E522-R571 IonicContact OE1-NH1 3.33Å
523	Y	68.2	Low	70.2	Confident	61 Å²	61	71.8 Å²	71.8	24%	0.239	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-50.4	172.8	-171.9	-91.1	0	0	0	111.9	V519 R520 K525 R526 L527 F744 Y757	V519-Y523 PolarHBondContact O-N 3.49Å; R520-Y523 WeakPolarHBondContact O-CB 3.49Å; R520-Y523 PolarHBondContact O-N 2.9Å; Y523-K525 VanDerWaalsContact C-N 3.25Å; Y523-K525 PolarHBondContact O-N 2.97Å; Y523-R526 WeakPolarHBondContact O-CB 3.34Å; Y523-R526 PolarHBondContact O-N 3.28Å; Y523-L527 HydrophobicContact CE1-CD1 3.95Å; Y523-L527 PolarHBondContact O-N 3.22Å; Y523-F744 HydrophobicContact CE2-CD1 4.36Å; Y523-Y757 WeakPolarHBondContact CD1-OH 3.21Å; Y523-Y757 VanDerWaalsContact CE1-OH 3.29Å; Y523-Y757 WeakPolarHBondContact CE1-OH 3.13Å
524	E	69.7	Low	67.5	Low	61 Å²	61	79.3 Å²	79.3	29%	0.285	37%	0.372	S	S	.	.	H	α-helix	trans	-56.1	-41.2	176.3	-73.7	169.6	179.9	0	0	111.5	R520 L527 S528	R520-E524 HydrophobicContact CG-CG 4.39Å; R520-E524 WeakPolarHBondContact CG-OE1 3.44Å; R520-E524 IonicContact CZ-OE1 2.79Å; R520-E524 IonicContact NE-OE1 3.24Å; R520-E524 PolarHBondContact NE-OE1 3.35Å; R520-E524 IonicContact NH2-OE1 2.78Å; R520-E524 WeakPolarHBondContact O-CB 3.43Å; R520-E524 WeakPolarHBondContact O-CG 3.49Å; R520-E524 PolarHBondContact O-N 2.75Å; E524-L527 PolarHBondContact O-N 3.11Å; E524-S528 WeakPolarHBondContact O-CB 3.36Å; E524-S528 PolarHBondContact O-N 3.14Å
525	K	69.1	Low	65.4	Low	120 Å²	120	79.3 Å²	79.3	52%	0.522	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-44.1	175.8	-175.3	-177.6	172.6	-164.5	0	112	K521 E522 Y523 S528 V529	K521-K525 VanDerWaalsContact O-CB 3.31Å; K521-K525 WeakPolarHBondContact O-CB 3.46Å; K521-K525 PolarHBondContact O-N 3.4Å; E522-K525 PolarHBondContact O-N 3.43Å; Y523-K525 VanDerWaalsContact C-N 3.25Å; Y523-K525 PolarHBondContact O-N 2.97Å; K525-S528 PolarHBondContact O-N 3.37Å; K525-S528 PolarHBondContact O-OG 3.39Å; K525-V529 WeakPolarHBondContact O-CG2 3.24Å; K525-V529 PolarHBondContact O-N 3.36Å
526	R	65.4	Low	63.2	Low	117 Å²	117	85.6 Å²	85.6	44%	0.442	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-44.8	177	-73	175.4	179.8	-171.1	-0.4	111.8	E104 E522 Y523 S528 V529 S530	E104-R526 IonicContact OE2-NH1 3.74Å; E522-R526 WeakPolarHBondContact O-CG 3.37Å; E522-R526 PolarHBondContact O-N 3.39Å; Y523-R526 WeakPolarHBondContact O-CB 3.34Å; Y523-R526 PolarHBondContact O-N 3.28Å; R526-S528 VanDerWaalsContact C-N 3.28Å; R526-S528 PolarHBondContact O-N 3.01Å; R526-V529 PolarHBondContact O-N 3.08Å; R526-V529 VanDerWaalsContact O-N 3.14Å; R526-S530 PolarHBondContact O-N 3.18Å; R526-S530 VanDerWaalsContact O-N 3.08Å
527	L	63.2	Low	61	Low	75 Å²	75	91.1 Å²	91.1	39%	0.393	44%	0.442	S	S	.	.	H	α-helix	trans	-59.6	-42	177.9	-145.1	89.4	0	0	0	111.2	Y523 E524 V529 S530 L531	Y523-L527 HydrophobicContact CE1-CD1 3.95Å; Y523-L527 PolarHBondContact O-N 3.22Å; E524-L527 PolarHBondContact O-N 3.11Å; L527-V529 VanDerWaalsContact C-N 3.3Å; L527-V529 PolarHBondContact O-N 3.18Å; L527-S530 PolarHBondContact O-N 3.36Å; L527-L531 HydrophobicContact CD2-CD1 4.38Å; L527-L531 WeakPolarHBondContact O-CB 3.29Å; L527-L531 WeakPolarHBondContact O-CG 3.29Å; L527-L531 PolarHBondContact O-N 2.72Å
528	S	60.5	Low	58.4	Low	52 Å²	52	91.6 Å²	91.6	36%	0.364	46%	0.456	S	S	.	.	H	α-helix	trans	-65.9	-27.9	178.1	78	0	0	0	0	114.2	E524 K525 R526 K532	E524-S528 WeakPolarHBondContact O-CB 3.36Å; E524-S528 PolarHBondContact O-N 3.14Å; K525-S528 PolarHBondContact O-N 3.37Å; K525-S528 PolarHBondContact O-OG 3.39Å; R526-S528 VanDerWaalsContact C-N 3.28Å; R526-S528 PolarHBondContact O-N 3.01Å; S528-K532 VanDerWaalsContact O-CG 3.29Å; S528-K532 WeakPolarHBondContact O-CG 3.46Å; S528-K532 PolarHBondContact O-N 3.06Å
529	V	58.7	Low	56.2	Low	72 Å²	72	95.6 Å²	95.6	44%	0.436	49%	0.485	S	S	.	.	H	α-helix	trans	-75.4	-47.7	175.1	172.8	0	0	0	0	109.9	K525 R526 L527 L531 K532 E533	K525-V529 WeakPolarHBondContact O-CG2 3.24Å; K525-V529 PolarHBondContact O-N 3.36Å; R526-V529 PolarHBondContact O-N 3.08Å; R526-V529 VanDerWaalsContact O-N 3.14Å; L527-V529 VanDerWaalsContact C-N 3.3Å; L527-V529 PolarHBondContact O-N 3.18Å; V529-L531 VanDerWaalsContact C-N 3.33Å; V529-L531 PolarHBondContact O-N 2.95Å; V529-K532 PolarHBondContact O-N 2.85Å; V529-K532 VanDerWaalsContact O-N 3.11Å; V529-E533 PolarHBondContact O-N 3.07Å
530	S	50.6	Low	53.8	Low	75 Å²	75	101.9 Å²	101.9	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-58.4	-43.7	177.5	-174.6	0	0	0	0	112	R526 L527 K532 E533 Y534	R526-S530 PolarHBondContact O-N 3.18Å; R526-S530 VanDerWaalsContact O-N 3.08Å; L527-S530 PolarHBondContact O-N 3.36Å; S530-K532 VanDerWaalsContact C-N 3.33Å; S530-K532 PolarHBondContact O-N 3.49Å; S530-E533 PolarHBondContact O-N 3.28Å; S530-Y534 PolarHBondContact O-N 3.31Å
531	L	46.8	Very low	51.4	Low	101 Å²	101	106.8 Å²	106.8	53%	0.529	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-34.8	176.4	-75.6	166.2	0	0	0	113	L527 V529 Y534 V535	L527-L531 HydrophobicContact CD2-CD1 4.38Å; L527-L531 WeakPolarHBondContact O-CB 3.29Å; L527-L531 WeakPolarHBondContact O-CG 3.29Å; L527-L531 PolarHBondContact O-N 2.72Å; V529-L531 VanDerWaalsContact C-N 3.33Å; V529-L531 PolarHBondContact O-N 2.95Å; L531-Y534 PolarHBondContact O-N 3.06Å; L531-V535 VanDerWaalsContact O-CG2 3.3Å; L531-V535 WeakPolarHBondContact O-CG2 3.29Å; L531-V535 PolarHBondContact O-N 3.09Å
532	K	46.1	Very low	49.1	Very low	147 Å²	147	108.6 Å²	108.6	64%	0.639	56%	0.559	S	S	*	*	H	α-helix	trans	-70.7	-35.8	175.9	-78.2	176.9	-179.7	-177.9	0	112.5	S528 V529 S530 Y534 N536	S528-K532 VanDerWaalsContact O-CG 3.29Å; S528-K532 WeakPolarHBondContact O-CG 3.46Å; S528-K532 PolarHBondContact O-N 3.06Å; V529-K532 PolarHBondContact O-N 2.85Å; V529-K532 VanDerWaalsContact O-N 3.11Å; S530-K532 VanDerWaalsContact C-N 3.33Å; S530-K532 PolarHBondContact O-N 3.49Å; K532-Y534 VanDerWaalsContact C-N 3.34Å; K532-N536 PolarHBondContact O-N 2.77Å
533	E	44.7	Very low	46.9	Very low	127 Å²	127	113.8 Å²	113.8	59%	0.593	59%	0.587	S	S	*	*	H	α-helix	trans	-65.3	-40.3	173.5	-72.6	176.6	175.4	0	0	110.7	V529 S530 N536 D537	V529-E533 PolarHBondContact O-N 3.07Å; S530-E533 PolarHBondContact O-N 3.28Å; E533-N536 PolarHBondContact O-N 3.46Å; E533-D537 PolarHBondContact O-N 2.88Å
534	Y	36.3	Very low	45.1	Very low	187 Å²	187	116.4 Å²	116.4	73%	0.733	61%	0.614	S	S	*	*	H	α-helix	trans	-68.9	-39.4	178.6	-153.2	-95.2	0	0	0	113.6	S530 L531 K532 N536 D537	S530-Y534 PolarHBondContact O-N 3.31Å; L531-Y534 PolarHBondContact O-N 3.06Å; K532-Y534 VanDerWaalsContact C-N 3.34Å; Y534-N536 VanDerWaalsContact C-N 3.28Å; Y534-N536 PolarHBondContact O-N 2.74Å; Y534-D537 PolarHBondContact O-N 2.94Å
535	V	44.2	Very low	43.2	Very low	99 Å²	99	122 Å²	122	60%	0.6	64%	0.64	S	S	*	*	H	α-helix	trans	-64.9	-34.1	177	173.1	0	0	0	0	111.4	L531 D537 S538	L531-V535 VanDerWaalsContact O-CG2 3.3Å; L531-V535 WeakPolarHBondContact O-CG2 3.29Å; L531-V535 PolarHBondContact O-N 3.09Å; V535-D537 VanDerWaalsContact C-N 3.27Å; V535-D537 PolarHBondContact O-N 3.2Å; V535-S538 PolarHBondContact O-N 3.48Å; V535-S538 PolarHBondContact O-OG 2.92Å
536	N	41.8	Very low	41.3	Very low	137 Å²	137	123.8 Å²	123.8	73%	0.733	66%	0.655	S	S	*	*	H	α-helix	trans	-73.7	-16.3	177.6	-74.8	-7.3	0	0	0	113.8	K532 E533 Y534	K532-N536 PolarHBondContact O-N 2.77Å; E533-N536 PolarHBondContact O-N 3.46Å; Y534-N536 VanDerWaalsContact C-N 3.28Å; Y534-N536 PolarHBondContact O-N 2.74Å
537	D	40.7	Very low	39.5	Very low	117 Å²	117	121.6 Å²	121.6	63%	0.626	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	1.7	-180	-151.4	20.2	0	0	0	113.1	E533 Y534 V535 S539	E533-D537 PolarHBondContact O-N 2.88Å; Y534-D537 PolarHBondContact O-N 2.94Å; V535-D537 VanDerWaalsContact C-N 3.27Å; V535-D537 PolarHBondContact O-N 3.2Å; D537-S539 PolarHBondContact O-N 2.94Å
538	S	32.3	Very low	37.7	Very low	94 Å²	94	128 Å²	128	66%	0.657	70%	0.697	S	S	*	*			trans	-73.3	22.1	-179.9	58.3	0	0	0	0	115.2	V535 L540	V535-S538 PolarHBondContact O-N 3.48Å; V535-S538 PolarHBondContact O-OG 2.92Å; S538-L540 PolarHBondContact O-N 3.5Å
539	S	35.3	Very low	36.1	Very low	113 Å²	113	130.5 Å²	130.5	79%	0.79	72%	0.715	S	S	*	*			trans	-85.4	39.6	161.8	-47	0	0	0	0	110.8	D537 E541	D537-S539 PolarHBondContact O-N 2.94Å; S539-E541 PolarHBondContact O-N 3.43Å
540	L	27.6	Very low	35	Very low	140 Å²	140	133 Å²	133	73%	0.733	73%	0.732	S	S	*	*			trans	-89.5	83.3	-176.5	-157.6	93.7	0	0	0	109.1	S538 L542	S538-L540 PolarHBondContact O-N 3.5Å; L540-L542 PolarHBondContact O-N 3.24Å
541	E	30.2	Very low	33.8	Very low	172 Å²	172	138.6 Å²	138.6	80%	0.804	75%	0.747	S	S	*	*			trans	-62.8	118.7	166	-75.7	-174	163.6	0	0	108.8	S539 L543	S539-E541 PolarHBondContact O-N 3.43Å; E541-L543 PolarHBondContact O-N 3.45Å
542	L	26.8	Very low	32.6	Very low	165 Å²	165	142.6 Å²	142.6	86%	0.864	76%	0.763	S	S	*	*			trans	-55.3	104.4	173	-90.6	89.2	0	0	0	109.8	L540	L540-L542 PolarHBondContact O-N 3.24Å
543	L	26.8	Very low	31.5	Very low	158 Å²	158	145.9 Å²	145.9	83%	0.827	77%	0.772	S	S	*	*			trans	-116.2	100	162.8	-74.9	170.5	0	0	0	109	E541 H545	E541-L543 PolarHBondContact O-N 3.45Å; L543-H545 PolarHBondContact O-N 2.82Å
544	S	31	Very low	30.4	Very low	115 Å²	115	149.1 Å²	149.1	80%	0.804	78%	0.784	S	S	*	*			trans	-59.8	112.6	159.7	38.6	0	0	0	0	109.9
545	H	29.3	Very low	29.8	Very low	180 Å²	180	146.6 Å²	146.6	83%	0.833	79%	0.788	S	S	*	*			trans	-158	130.7	148.6	-139.8	-73.9	0	0	0	112.5	L543	L543-H545 PolarHBondContact O-N 2.82Å
546	D	29.6	Very low	28.8	Very low	157 Å²	157	150.8 Å²	150.8	84%	0.84	80%	0.798	S	S	*	*			trans	-55.5	138.9	173.7	-62.3	-55.5	0	0	0	112.5
547	G	28.1	Very low	28	Very low	71 Å²	71	149.9 Å²	149.9	73%	0.732	80%	0.8	S	S	*	*			trans	162.6	95.1	170.7	0	0	0	0	0	112.9	S549	G547-S549 PolarHBondContact O-N 3.14Å
548	E	25.2	Very low	27.3	Very low	208 Å²	208	152.6 Å²	152.6	97%	0.972	81%	0.814	S	S	*	*			trans	-54.4	120.3	171	-66.7	-177.7	150.6	0	0	111.5
549	S	27.1	Very low	27	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	82%	0.815	S	S	*	*			trans	-149.2	149.7	159.5	66.5	0	0	0	0	111.3	G547	G547-S549 PolarHBondContact O-N 3.14Å
550	P	34.8	Very low	26.6	Very low	123 Å²	123	153.7 Å²	153.7	80%	0.799	81%	0.814	S	S	*	*			trans	-83.3	134.6	-154.2	-8.5	26.8	0	0	0	113.1	E552	P550-E552 PolarHBondContact O-N 2.96Å
551	F	24.4	Very low	26.5	Very low	193 Å²	193	155.1 Å²	155.1	85%	0.846	82%	0.819	S	S	*	*			trans	-43.9	90.1	177.7	-154.9	-100	0	0	0	114.3	R553	F551-R553 PolarHBondContact O-N 3.39Å; F551-R553 VanDerWaalsContact O-N 3.11Å
552	E	22.3	Very low	26.5	Very low	185 Å²	185	152.6 Å²	152.6	86%	0.864	82%	0.818	S	S	*	*			trans	-70.2	102.5	165	-85.4	-169.7	158.2	0	0	109.5	P550 K554	P550-E552 PolarHBondContact O-N 2.96Å; E552-K554 PolarHBondContact O-N 3.4Å
553	R	23	Very low	26.9	Very low	216 Å²	216	149.1 Å²	149.1	82%	0.815	80%	0.796	S	S	*	*			trans	-64.5	96.7	178.1	-164.6	179.8	-109.4	155.2	-6.1	109.4	F551 V555	F551-R553 PolarHBondContact O-N 3.39Å; F551-R553 VanDerWaalsContact O-N 3.11Å; R553-V555 PolarHBondContact O-N 3.38Å; R553-V555 VanDerWaalsContact O-N 3.15Å
554	K	22.3	Very low	27.1	Very low	195 Å²	195	150.6 Å²	150.6	85%	0.848	80%	0.798	S	S	*	*			trans	-53.2	115.5	178	-76.4	-179.4	177.8	175.5	0	110.9	E552	E552-K554 PolarHBondContact O-N 3.4Å
555	V	22.2	Very low	27	Very low	134 Å²	134	148.6 Å²	148.6	81%	0.812	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.9	123.1	174.2	175	0	0	0	0	108.5	R553	R553-V555 PolarHBondContact O-N 3.38Å; R553-V555 VanDerWaalsContact O-N 3.15Å
556	F	23.9	Very low	27.1	Very low	188 Å²	188	146.5 Å²	146.5	83%	0.825	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65.2	124.6	172.2	-69.8	-85.7	0	0	0	109.7
557	P	25.9	Very low	27.3	Very low	118 Å²	118	145 Å²	145	77%	0.766	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.6	137.7	180	27.3	-30.4	0	0	0	111.1	G559	P557-G559 PolarHBondContact O-N 2.86Å
558	D	26.1	Very low	27.5	Very low	173 Å²	173	144.4 Å²	144.4	93%	0.925	78%	0.776	S	S	*	*			trans	-42.9	104.2	177.9	-97.3	-32.2	0	0	0	112.3
559	G	26.1	Very low	27.7	Very low	66 Å²	66	139.7 Å²	139.7	68%	0.68	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-68	129.1	171.7	0	0	0	0	0	111.1	P557 M561	P557-G559 PolarHBondContact O-N 2.86Å; G559-M561 PolarHBondContact O-N 3.4Å
560	Q	25.9	Very low	27.8	Very low	165 Å²	165	138.2 Å²	138.2	77%	0.771	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-47.6	124.4	178.7	-83.2	173.8	-21	0	0	113.5
561	M	25.4	Very low	28	Very low	169 Å²	169	141.3 Å²	141.3	83%	0.833	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-59.2	131.4	169.4	-82	-81.7	127.9	0	0	111.5	G559	G559-M561 PolarHBondContact O-N 3.4Å
562	P	29.7	Very low	28.8	Very low	120 Å²	120	132.6 Å²	132.6	78%	0.779	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-74.4	143.6	-178.2	28.8	-31.1	0	0	0	112.3
563	K	35.1	Very low	29.9	Very low	92 Å²	92	125.7 Å²	125.7	40%	0.4	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-71	145	-166.9	-64.1	176.3	170.7	-171.6	0	115.2	F216 L218	F216-K563 PolarHBondContact O-NZ 3.02Å; L218-K563 VanDerWaalsContact CB-CE 3.47Å; L218-K563 HydrophobicContact CD1-CD 4.43Å; L218-K563 VanDerWaalsContact CG-NZ 3.27Å
564	E	32.7	Very low	31.3	Very low	188 Å²	188	117.8 Å²	117.8	88%	0.879	65%	0.646	S	S	*	*	S	Bend	trans	-67	123	167.6	-64.1	177.3	166.6	0	0	110.6
565	G	29.1	Very low	32.5	Very low	73 Å²	73	109 Å²	109	75%	0.753	61%	0.609	S	S	*	*			trans	157.7	18.3	180	0	0	0	0	0	117.1
566	E	31	Very low	34.3	Very low	136 Å²	136	103 Å²	103	64%	0.636	57%	0.572	S	S	*	*	S	Bend	trans	-140	143.9	156.7	-79.8	-173.4	142.9	0	0	106.4	A568	E566-A568 HydrophobicContact CB-CB 3.79Å; E566-A568 PolarHBondContact O-N 3.4Å
567	S	33	Very low	36.2	Very low	125 Å²	125	95.5 Å²	95.5	87%	0.874	54%	0.541	S	S	*	.			trans	-64.3	26.9	163.9	51.7	0	0	0	0	112.6	L569	S567-L569 PolarHBondContact O-N 2.85Å
568	A	31.7	Very low	38.1	Very low	59 Å²	59	90.6 Å²	90.6	49%	0.488	51%	0.51	S	S	.	.			trans	-70.3	97.9	175.3	0	0	0	0	0	107.4	E566 P570	E566-A568 HydrophobicContact CB-CB 3.79Å; E566-A568 PolarHBondContact O-N 3.4Å; A568-P570 VanDerWaalsContact O-CD 3.29Å; A568-P570 WeakPolarHBondContact O-CD 3.27Å
569	L	30.3	Very low	40	Very low	109 Å²	109	84.4 Å²	84.4	57%	0.571	48%	0.483	S	S	*	.			trans	-25.4	105.2	158	-78.4	144.4	0	0	0	109.3	E63 S567 R571	E63-L569 WeakPolarHBondContact OE1-CD2 3.38Å; S567-L569 PolarHBondContact O-N 2.85Å; L569-R571 PolarHBondContact O-N 3.41Å
570	P	30.1	Very low	42.2	Very low	76 Å²	76	82.3 Å²	82.3	49%	0.494	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-68.3	136.5	-170.2	-16.4	29.9	0	0	0	108.6	L67 A568 L572	L67-P570 HydrophobicContact CD1-CB 3.49Å; L67-P570 VanDerWaalsContact CD1-CB 3.49Å; L67-P570 HydrophobicContact CD1-CG 3.5Å; L67-P570 HydrophobicContact CD2-CB 3.78Å; L67-P570 WeakPolarHBondContact CD2-O 3.43Å; L67-P570 HydrophobicContact CG-CB 4.22Å; A568-P570 VanDerWaalsContact O-CD 3.29Å; A568-P570 WeakPolarHBondContact O-CD 3.27Å; P570-L572 PolarHBondContact O-N 3.34Å
571	R	38.5	Very low	44.9	Very low	187 Å²	187	74.5 Å²	74.5	71%	0.706	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-70	123.6	-170	-68.9	179.4	179.2	177.5	0.3	109.9	E522 L569 Y574	E522-R571 IonicContact OE1-NH1 3.33Å; L569-R571 PolarHBondContact O-N 3.41Å; R571-Y574 HydrophobicContact CB-CE2 4.24Å
572	L	40.4	Very low	47.6	Very low	11 Å²	11	66.9 Å²	66.9	6%	0.058	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-47	143.8	167.4	-160.5	78.9	0	0	0	109.6	E66 Y509 Y515 P570 Y574	E66-L572 HydrophobicContact CG-CD1 4.44Å; Y509-L572 HydrophobicContact CD2-CD2 4.44Å; Y509-L572 HydrophobicContact CE1-CD1 4.08Å; Y509-L572 HydrophobicContact CE2-CD1 4.27Å; Y509-L572 HydrophobicContact CE2-CD2 4.31Å; Y515-L572 HydrophobicContact CE2-CD2 3.6Å; P570-L572 PolarHBondContact O-N 3.34Å; L572-Y574 VanDerWaalsContact C-N 3.34Å; L572-Y574 HydrophobicContact CB-CE2 4.23Å; L572-Y574 WeakPolarHBondContact O-CD2 3.24Å; L572-Y574 WeakPolarHBondContact O-CE2 3.1Å; L572-Y574 PolarHBondContact O-N 3.19Å
573	S	45.8	Very low	50.1	Low	39 Å²	39	61.3 Å²	61.3	27%	0.273	35%	0.345	S	S	.	.			trans	-68.5	96.2	170.6	59.1	0	0	0	0	109.1	P70 S575	P70-S573 WeakPolarHBondContact CG-OG 2.92Å; S573-S575 PolarHBondContact O-N 3.49Å
574	Y	51.6	Low	52.7	Low	51 Å²	51	57 Å²	57	20%	0.2	33%	0.326	C	S	.	.			trans	-72.7	28.3	179.5	-67.6	-80.8	0	0	0	113.3	Y515 T518 V519 R571 L572	Y515-Y574 HydrophobicContact CD2-CD1 4.25Å; Y515-Y574 AromaticContact CD2-CE1 3.87Å; Y515-Y574 HydrophobicContact CD2-CE1 3.87Å; Y515-Y574 AromaticContact CE2-CD1 3.96Å; Y515-Y574 HydrophobicContact CE2-CD1 3.96Å; Y515-Y574 AromaticContact CE2-CE1 3.84Å; Y515-Y574 HydrophobicContact CE2-CE1 3.84Å; T518-Y574 HydrophobicContact CG2-CD1 3.88Å; T518-Y574 HydrophobicContact CG2-CD2 3.75Å; T518-Y574 HydrophobicContact CG2-CE1 3.72Å; T518-Y574 HydrophobicContact CG2-CE2 3.6Å; T518-Y574 HydrophobicContact CG2-CG 3.91Å; V519-Y574 WeakPolarHBondContact CG1-O 3.29Å; V519-Y574 HydrophobicContact CG2-CD1 4.02Å; V519-Y574 HydrophobicContact CG2-CG 4.44Å; V519-Y574 WeakPolarHBondContact CG2-O 3.42Å; R571-Y574 HydrophobicContact CB-CE2 4.24Å; L572-Y574 VanDerWaalsContact C-N 3.34Å; L572-Y574 HydrophobicContact CB-CE2 4.23Å; L572-Y574 WeakPolarHBondContact O-CD2 3.24Å; L572-Y574 WeakPolarHBondContact O-CE2 3.1Å; L572-Y574 PolarHBondContact O-N 3.19Å
575	S	48.9	Very low	55.5	Low	10 Å²	10	48 Å²	48	7%	0.07	29%	0.285	C	S	.	.			trans	-78.9	126.1	168.9	52.2	0	0	0	0	109.1	E104 L106 S573 K616	E104-S575 WeakPolarHBondContact OE2-CB 3.31Å; L106-S575 WeakPolarHBondContact CD1-OG 3.2Å; S573-S575 PolarHBondContact O-N 3.49Å; S575-K616 PolarHBondContact O-NZ 2.78Å
576	L	59.6	Low	58.4	Low	7 Å²	7	45 Å²	45	4%	0.037	25%	0.251	C	S	.	.			trans	-118.8	121.9	172.2	-70	179.1	0	0	0	109	Y515 L516 V519 E580 L581 F584 K616	Y515-L576 HydrophobicContact CE1-CD1 4.01Å; Y515-L576 HydrophobicContact CE1-CD2 4.13Å; Y515-L576 HydrophobicContact CE1-CG 4.29Å; L516-L576 HydrophobicContact CD2-CD1 3.98Å; V519-L576 HydrophobicContact CB-CD1 4.37Å; V519-L576 HydrophobicContact CG1-CB 4.29Å; V519-L576 HydrophobicContact CG1-CD1 4.05Å; V519-L576 HydrophobicContact CG1-CG 4.14Å; V519-L576 HydrophobicContact CG2-CD1 3.78Å; V519-L576 HydrophobicContact CG2-CG 3.98Å; L576-E580 VanDerWaalsContact CA-OE2 3.29Å; L576-E580 WeakPolarHBondContact CA-OE2 2.98Å; L576-E580 HydrophobicContact CD2-CB 4.06Å; L576-E580 WeakPolarHBondContact CD2-OE2 3.04Å; L576-L581 HydrophobicContact CB-CD2 4.25Å; L576-L581 HydrophobicContact CB-CG 4.34Å; L576-L581 HydrophobicContact CD1-CD2 3.58Å; L576-F584 HydrophobicContact CD1-CE2 3.9Å; L576-F584 HydrophobicContact CD1-CZ 4.47Å; L576-F584 HydrophobicContact CD2-CE2 4.01Å; L576-F584 HydrophobicContact CD2-CZ 3.75Å; L576-K616 HydrophobicContact CD2-CD 4.15Å
577	D	62.7	Low	61.2	Low	31 Å²	31	38.8 Å²	38.8	17%	0.166	22%	0.222	C	C	.	.			trans	-87.9	171.9	168.3	70.6	29.9	0	0	0	111.3	A579 E580 L581	D577-A579 PolarHBondContact O-N 3.12Å; D577-A579 WeakPolarHBondContact OD1-CA 3.18Å; D577-A579 WeakPolarHBondContact OD1-CB 3.09Å; D577-A579 PolarHBondContact OD1-N 3.44Å; D577-E580 PolarHBondContact N-OE2 2.89Å; D577-E580 PolarHBondContact O-N 3.41Å; D577-E580 WeakPolarHBondContact OD1-CG 3.26Å; D577-E580 PolarHBondContact OD1-N 2.89Å; D577-L581 PolarHBondContact O-N 2.92Å; D577-L581 VanDerWaalsContact O-N 3.15Å
578	A	66.3	Low	64.2	Low	15 Å²	15	32.9 Å²	32.9	12%	0.124	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-36.9	179.6	0	0	0	0	0	113	E580 L581 Q582 M740 Y741 V742	A578-E580 VanDerWaalsContact C-N 3.35Å; A578-L581 PolarHBondContact O-N 2.77Å; A578-Q582 PolarHBondContact O-N 3.04Å; A578-M740 HydrophobicContact CB-CB 4.07Å; A578-M740 HydrophobicContact CB-CG 4.36Å; A578-Y741 WeakPolarHBondContact O-CB 3.16Å; A578-V742 WeakPolarHBondContact CB-O 3.41Å
579	A	66.7	Low	67.3	Low	44 Å²	44	30.1 Å²	30.1	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-70.6	-34.7	-178.9	0	0	0	0	0	111.1	L75 D577 Q582 N583	L75-A579 HydrophobicContact CD1-CB 4.47Å; D577-A579 PolarHBondContact O-N 3.12Å; D577-A579 WeakPolarHBondContact OD1-CA 3.18Å; D577-A579 WeakPolarHBondContact OD1-CB 3.09Å; D577-A579 PolarHBondContact OD1-N 3.44Å; A579-Q582 PolarHBondContact O-N 3.16Å; A579-N583 WeakPolarHBondContact O-CB 3.49Å; A579-N583 PolarHBondContact O-N 3.19Å
580	E	72.5	Confident	70.1	Confident	22 Å²	22	25 Å²	25	10%	0.103	13%	0.131	C	C	.	.	H	α-helix	trans	-69	-41	175.2	-70.4	-177.4	149	0	0	112.6	L576 D577 A578 Q582 N583 F584 K616	L576-E580 VanDerWaalsContact CA-OE2 3.29Å; L576-E580 WeakPolarHBondContact CA-OE2 2.98Å; L576-E580 HydrophobicContact CD2-CB 4.06Å; L576-E580 WeakPolarHBondContact CD2-OE2 3.04Å; D577-E580 PolarHBondContact N-OE2 2.89Å; D577-E580 PolarHBondContact O-N 3.41Å; D577-E580 WeakPolarHBondContact OD1-CG 3.26Å; D577-E580 PolarHBondContact OD1-N 2.89Å; A578-E580 VanDerWaalsContact C-N 3.35Å; E580-Q582 VanDerWaalsContact C-N 3.32Å; E580-Q582 PolarHBondContact O-N 2.74Å; E580-N583 WeakPolarHBondContact O-CB 3.49Å; E580-N583 PolarHBondContact O-N 2.8Å; E580-F584 VanDerWaalsContact O-CD1 3.23Å; E580-F584 WeakPolarHBondContact O-CD1 3.45Å; E580-F584 WeakPolarHBondContact O-CG 3.28Å; E580-F584 PolarHBondContact O-N 3.07Å; E580-K616 IonicContact OE1-NZ 3.09Å; E580-K616 PolarHBondContact OE1-NZ 3.02Å; E580-K616 IonicContact OE2-NZ 2.84Å; E580-K616 PolarHBondContact OE2-NZ 2.81Å
581	L	81.3	Confident	73.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.8	-38.9	173.8	-65.4	172.9	0	0	0	111.6	L516 L576 D577 A578 N583 F584 A585 I670 L673 Y741 V742 F744	L516-L581 HydrophobicContact CD2-CD2 4.25Å; L576-L581 HydrophobicContact CB-CD2 4.25Å; L576-L581 HydrophobicContact CB-CG 4.34Å; L576-L581 HydrophobicContact CD1-CD2 3.58Å; D577-L581 PolarHBondContact O-N 2.92Å; D577-L581 VanDerWaalsContact O-N 3.15Å; A578-L581 PolarHBondContact O-N 2.77Å; L581-N583 VanDerWaalsContact C-N 3.34Å; L581-N583 PolarHBondContact O-N 3.26Å; L581-F584 WeakPolarHBondContact O-CB 3.34Å; L581-F584 PolarHBondContact O-N 3.42Å; L581-A585 PolarHBondContact O-N 3.15Å; L581-A585 VanDerWaalsContact O-N 3.16Å; L581-I670 HydrophobicContact CB-CG2 4Å; L581-I670 HydrophobicContact CD2-CG2 3.63Å; L581-I670 HydrophobicContact CG-CG2 4.37Å; L581-L673 HydrophobicContact CD1-CD2 4.46Å; L581-L673 HydrophobicContact CD2-CD2 4.07Å; L581-Y741 HydrophobicContact CB-CD1 3.42Å; L581-Y741 VanDerWaalsContact CB-CD1 3.42Å; L581-Y741 HydrophobicContact CB-CE1 3.81Å; L581-Y741 HydrophobicContact CB-CG 4.23Å; L581-Y741 HydrophobicContact CD1-CD1 4.43Å; L581-V742 HydrophobicContact CD1-CB 3.9Å; L581-V742 HydrophobicContact CD1-CG1 4.34Å; L581-V742 HydrophobicContact CD1-CG2 3.85Å; L581-F744 HydrophobicContact CD1-CE2 4.42Å; L581-F744 HydrophobicContact CD1-CZ 4.24Å
582	Q	81.6	Confident	75.8	Confident	9 Å²	9	12.5 Å²	12.5	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-42.4	172.4	-159.3	163.4	15.7	0	0	112.1	A578 A579 E580 F584 A585 L586 M731 T735 Y741	A578-Q582 PolarHBondContact O-N 3.04Å; A579-Q582 PolarHBondContact O-N 3.16Å; E580-Q582 VanDerWaalsContact C-N 3.32Å; E580-Q582 PolarHBondContact O-N 2.74Å; Q582-F584 VanDerWaalsContact C-N 3.28Å; Q582-F584 PolarHBondContact O-N 3.26Å; Q582-A585 PolarHBondContact O-N 2.89Å; Q582-L586 WeakPolarHBondContact O-CB 3.4Å; Q582-L586 PolarHBondContact O-N 2.68Å; Q582-M731 HydrophobicContact CG-CE 4.02Å; Q582-T735 VanDerWaalsContact CD-OG1 3.31Å; Q582-T735 VanDerWaalsContact NE2-N 3.19Å; Q582-T735 PolarHBondContact NE2-OG1 3.18Å; Q582-Y741 HydrophobicContact CB-CD2 4.01Å; Q582-Y741 HydrophobicContact CB-CG 4.1Å; Q582-Y741 HydrophobicContact CG-CD2 4.02Å
583	N	82.6	Confident	78.4	Confident	4 Å²	4	12.5 Å²	12.5	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-35.1	176.6	-173.4	21.7	0	0	0	111.4	A579 E580 L581 L586 Q587	A579-N583 WeakPolarHBondContact O-CB 3.49Å; A579-N583 PolarHBondContact O-N 3.19Å; E580-N583 WeakPolarHBondContact O-CB 3.49Å; E580-N583 PolarHBondContact O-N 2.8Å; L581-N583 VanDerWaalsContact C-N 3.34Å; L581-N583 PolarHBondContact O-N 3.26Å; N583-L586 PolarHBondContact O-N 3Å; N583-Q587 WeakPolarHBondContact O-CB 3.46Å; N583-Q587 VanDerWaalsContact O-CG 3.24Å; N583-Q587 WeakPolarHBondContact O-CG 3.38Å; N583-Q587 PolarHBondContact O-N 3.08Å
584	F	90.2	Very high	80.5	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-49.6	174.9	-74.4	8.4	0	0	0	111.4	L512 Y515 L576 E580 L581 Q582 L586 Q587 I588 K616 L618 I670	L512-F584 HydrophobicContact CD1-CD2 3.66Å; L512-F584 HydrophobicContact CD1-CE2 3.7Å; Y515-F584 HydrophobicContact CD1-CE2 4.35Å; Y515-F584 HydrophobicContact CE1-CE2 4.13Å; Y515-F584 HydrophobicContact CE1-CZ 4.18Å; L576-F584 HydrophobicContact CD1-CE2 3.9Å; L576-F584 HydrophobicContact CD1-CZ 4.47Å; L576-F584 HydrophobicContact CD2-CE2 4.01Å; L576-F584 HydrophobicContact CD2-CZ 3.75Å; E580-F584 VanDerWaalsContact O-CD1 3.23Å; E580-F584 WeakPolarHBondContact O-CD1 3.45Å; E580-F584 WeakPolarHBondContact O-CG 3.28Å; E580-F584 PolarHBondContact O-N 3.07Å; L581-F584 WeakPolarHBondContact O-CB 3.34Å; L581-F584 PolarHBondContact O-N 3.42Å; Q582-F584 VanDerWaalsContact C-N 3.28Å; Q582-F584 PolarHBondContact O-N 3.26Å; F584-L586 VanDerWaalsContact C-N 3.31Å; F584-L586 PolarHBondContact O-N 2.84Å; F584-Q587 PolarHBondContact O-N 3.16Å; F584-I588 WeakPolarHBondContact O-CG1 3.39Å; F584-I588 PolarHBondContact O-N 3.4Å; F584-I588 VanDerWaalsContact O-N 3.11Å; F584-K616 HydrophobicContact CE1-CB 3.74Å; F584-K616 HydrophobicContact CE1-CD 4.42Å; F584-K616 HydrophobicContact CZ-CB 4.07Å; F584-K616 HydrophobicContact CZ-CD 4.35Å; F584-L618 HydrophobicContact CB-CD1 3.56Å; F584-L618 HydrophobicContact CD1-CD1 3.88Å; F584-L618 HydrophobicContact CD1-CD2 4.39Å; F584-L618 HydrophobicContact CD1-CG 4.11Å; F584-L618 HydrophobicContact CD2-CD1 4.19Å; F584-L618 HydrophobicContact CE1-CD2 4.39Å; F584-L618 HydrophobicContact CG-CD1 3.62Å; F584-L618 HydrophobicContact CG-CG 4.32Å; F584-I670 HydrophobicContact CB-CD1 4.16Å
585	A	91.9	Very high	82.5	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.7	-44.2	176.2	0	0	0	0	0	112	L581 Q582 I588 A589 Y663 L667 I670 M731 Y741	L581-A585 PolarHBondContact O-N 3.15Å; L581-A585 VanDerWaalsContact O-N 3.16Å; Q582-A585 PolarHBondContact O-N 2.89Å; A585-I588 PolarHBondContact O-N 3.19Å; A585-A589 PolarHBondContact O-N 2.91Å; A585-A589 VanDerWaalsContact O-N 3.12Å; A585-Y663 PolarHBondContact O-OH 2.88Å; A585-L667 HydrophobicContact CB-CD2 3.31Å; A585-I670 HydrophobicContact CB-CD1 4.39Å; A585-M731 HydrophobicContact CB-CE 3.32Å; A585-Y741 HydrophobicContact CB-CE2 3.73Å
586	L	90.1	Very high	84.7	Confident	10 Å²	10	11.8 Å²	11.8	5%	0.052	7%	0.069	C	C	.	.	H	α-helix	trans	-63.8	-47.4	177.3	-179.6	59.2	0	0	0	111.9	Q582 N583 F584 I588 A589 N590 M731 K732	Q582-L586 WeakPolarHBondContact O-CB 3.4Å; Q582-L586 PolarHBondContact O-N 2.68Å; N583-L586 PolarHBondContact O-N 3Å; F584-L586 VanDerWaalsContact C-N 3.31Å; F584-L586 PolarHBondContact O-N 2.84Å; L586-I588 VanDerWaalsContact C-N 3.29Å; L586-I588 PolarHBondContact O-N 3.41Å; L586-A589 PolarHBondContact O-N 3.32Å; L586-A589 VanDerWaalsContact O-N 3.15Å; L586-N590 PolarHBondContact O-N 3.07Å; L586-N590 PolarHBondContact O-ND2 3.23Å; L586-M731 HydrophobicContact CD1-CB 4.07Å; L586-K732 HydrophobicContact CD1-CG 4.1Å; L586-K732 HydrophobicContact CD2-CG 4.31Å
587	Q	90.1	Very high	86.1	Confident	6 Å²	6	15.5 Å²	15.5	3%	0.028	10%	0.095	C	C	.	.	H	α-helix	trans	-56.9	-39.9	178.3	-78.3	-175.4	78.3	0	0	113	N486 N583 F584 N590 G591 K616 L618	N486-Q587 WeakPolarHBondContact CB-O 3.4Å; N486-Q587 VanDerWaalsContact CG-O 3.24Å; N486-Q587 PolarHBondContact ND2-OE1 3.5Å; N486-Q587 PolarHBondContact OD1-O 2.88Å; N583-Q587 WeakPolarHBondContact O-CB 3.46Å; N583-Q587 VanDerWaalsContact O-CG 3.24Å; N583-Q587 WeakPolarHBondContact O-CG 3.38Å; N583-Q587 PolarHBondContact O-N 3.08Å; F584-Q587 PolarHBondContact O-N 3.16Å; Q587-N590 WeakPolarHBondContact O-CB 3.42Å; Q587-N590 PolarHBondContact O-N 2.75Å; Q587-G591 PolarHBondContact O-N 3.25Å; Q587-G591 VanDerWaalsContact O-N 3.11Å; Q587-K616 PolarHBondContact NE2-O 3.35Å; Q587-L618 HydrophobicContact CB-CB 4.13Å; Q587-L618 HydrophobicContact CB-CG 4.47Å
588	I	96.1	Very high	87.4	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-69.8	-42.9	177.4	-62.9	164.2	0	0	0	110.4	L512 F584 A585 L586 N590 G591 M592 L605 V610 L618 I620 Y663 V666 I670	L512-I588 HydrophobicContact CD2-CD1 3.92Å; F584-I588 WeakPolarHBondContact O-CG1 3.39Å; F584-I588 PolarHBondContact O-N 3.4Å; F584-I588 VanDerWaalsContact O-N 3.11Å; A585-I588 PolarHBondContact O-N 3.19Å; L586-I588 VanDerWaalsContact C-N 3.29Å; L586-I588 PolarHBondContact O-N 3.41Å; I588-N590 PolarHBondContact O-N 3.4Å; I588-G591 PolarHBondContact O-N 3.4Å; I588-M592 HydrophobicContact CG2-CG 4.46Å; I588-M592 PolarHBondContact O-N 3.26Å; I588-L605 HydrophobicContact CG2-CD1 4.18Å; I588-V610 HydrophobicContact CD1-CG1 4.21Å; I588-V610 HydrophobicContact CD1-CG2 4.11Å; I588-V610 HydrophobicContact CG1-CG1 4.1Å; I588-V610 HydrophobicContact CG1-CG2 4.21Å; I588-L618 HydrophobicContact CD1-CD1 3.97Å; I588-L618 HydrophobicContact CG1-CD1 3.99Å; I588-I620 HydrophobicContact CG2-CD1 4.11Å; I588-Y663 HydrophobicContact CB-CD2 4.45Å; I588-Y663 HydrophobicContact CB-CE2 4.01Å; I588-Y663 HydrophobicContact CG2-CD2 3.76Å; I588-Y663 HydrophobicContact CG2-CE2 3.83Å; I588-V666 HydrophobicContact CD1-CG1 3.77Å; I588-I670 HydrophobicContact CD1-CD1 4.08Å
589	A	95.2	Very high	88.6	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-33.2	173.2	0	0	0	0	0	112.3	A585 L586 M592 A593 Y663 Q728	A585-A589 PolarHBondContact O-N 2.91Å; A585-A589 VanDerWaalsContact O-N 3.12Å; L586-A589 PolarHBondContact O-N 3.32Å; L586-A589 VanDerWaalsContact O-N 3.15Å; A589-M592 PolarHBondContact O-N 2.87Å; A589-A593 WeakPolarHBondContact O-CB 3.45Å; A589-A593 PolarHBondContact O-N 3.13Å; A589-Y663 HydrophobicContact CB-CE2 4.12Å; A589-Q728 HydrophobicContact CB-CG 3.93Å; A589-Q728 PolarHBondContact O-NE2 3.04Å
590	N	90.4	Very high	89.8	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-63	-49.8	173.7	-63.1	-39.2	0	0	0	112.9	Y127 H484 L586 Q587 I588 M592 H594 Q728	Y127-N590 WeakPolarHBondContact CB-OD1 3.37Å; Y127-N590 HydrophobicContact CD1-CB 3.28Å; Y127-N590 VanDerWaalsContact CD1-ND2 3.31Å; Y127-N590 WeakPolarHBondContact CD1-ND2 3.36Å; Y127-N590 HydrophobicContact CD2-CB 4.47Å; Y127-N590 WeakPolarHBondContact CD2-ND2 3.32Å; Y127-N590 HydrophobicContact CE1-CB 3.61Å; Y127-N590 WeakPolarHBondContact CE1-ND2 3.24Å; Y127-N590 WeakPolarHBondContact CE2-ND2 3.48Å; Y127-N590 HydrophobicContact CG-CB 3.77Å; Y127-N590 VanDerWaalsContact CG-OD1 3.31Å; H484-N590 PolarHBondContact CE1-O 3.01Å; L586-N590 PolarHBondContact O-N 3.07Å; L586-N590 PolarHBondContact O-ND2 3.23Å; Q587-N590 WeakPolarHBondContact O-CB 3.42Å; Q587-N590 PolarHBondContact O-N 2.75Å; I588-N590 PolarHBondContact O-N 3.4Å; N590-M592 PolarHBondContact O-N 3.46Å; N590-H594 PolarHBondContact O-N 3.03Å; N590-Q728 VanDerWaalsContact CA-NE2 3.26Å; N590-Q728 PolarHBondContact OD1-NE2 2.75Å
591	G	92.3	Very high	90.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-46.8	174	0	0	0	0	0	112.2	Q587 I588 H594 L595	Q587-G591 PolarHBondContact O-N 3.25Å; Q587-G591 VanDerWaalsContact O-N 3.11Å; I588-G591 PolarHBondContact O-N 3.4Å; G591-H594 WeakPolarHBondContact O-CB 3.48Å; G591-H594 PolarHBondContact O-N 3.2Å; G591-L595 PolarHBondContact O-N 3.2Å; G591-L595 VanDerWaalsContact O-N 3.1Å
592	M	96.5	Very high	91.4	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-70	-34.3	-175.9	-70	-55	-56.3	0	0	114.3	I588 A589 N590 H594 L595 E596 H602 L605 I620 D659 F724	I588-M592 HydrophobicContact CG2-CG 4.46Å; I588-M592 PolarHBondContact O-N 3.26Å; A589-M592 PolarHBondContact O-N 2.87Å; N590-M592 PolarHBondContact O-N 3.46Å; M592-H594 VanDerWaalsContact C-N 3.29Å; M592-H594 PolarHBondContact O-N 3.15Å; M592-L595 HydrophobicContact CE-CD1 4.38Å; M592-L595 PolarHBondContact O-N 3.31Å; M592-L595 HydrophobicContact SD-CD1 3.89Å; M592-E596 WeakPolarHBondContact O-CB 3.35Å; M592-E596 PolarHBondContact O-N 3.3Å; M592-H602 HydrophobicContact CE-CB 4.06Å; M592-H602 HydrophobicContact SD-CB 4.42Å; M592-L605 HydrophobicContact CE-CD2 4.27Å; M592-L605 HydrophobicContact CG-CD1 4.35Å; M592-L605 HydrophobicContact CG-CD2 3.77Å; M592-L605 HydrophobicContact SD-CD1 3.95Å; M592-L605 HydrophobicContact SD-CD2 3.87Å; M592-L605 HydrophobicContact SD-CG 4.4Å; M592-I620 HydrophobicContact CG-CD1 3.64Å; M592-I620 HydrophobicContact SD-CD1 3.66Å; M592-D659 HydrophobicContact CE-CB 3.63Å; M592-F724 HydrophobicContact CB-CB 4.47Å; M592-F724 HydrophobicContact CB-CD1 3.37Å; M592-F724 HydrophobicContact CB-CD2 3.89Å; M592-F724 HydrophobicContact CB-CE1 3.32Å; M592-F724 HydrophobicContact CB-CE2 3.85Å; M592-F724 HydrophobicContact CB-CG 3.65Å; M592-F724 HydrophobicContact CB-CZ 3.57Å; M592-F724 HydrophobicContact CE-CE2 3.85Å; M592-F724 HydrophobicContact CE-CZ 3.85Å; M592-F724 HydrophobicContact CG-CD1 4.29Å; M592-F724 HydrophobicContact CG-CE1 3.77Å; M592-F724 HydrophobicContact CG-CE2 4.47Å; M592-F724 HydrophobicContact CG-CZ 3.86Å
593	A	93.6	Very high	92	Very high	12 Å²	12	16.6 Å²	16.6	10%	0.099	10%	0.097	C	C	.	.	H	α-helix	trans	-67.8	-33.3	174	0	0	0	0	0	112.2	A589 E596 S597 F724	A589-A593 WeakPolarHBondContact O-CB 3.45Å; A589-A593 PolarHBondContact O-N 3.13Å; A593-E596 PolarHBondContact O-N 3.1Å; A593-S597 WeakPolarHBondContact O-CB 3.31Å; A593-S597 PolarHBondContact O-N 2.98Å; A593-F724 VanDerWaalsContact CA-CB 3.47Å; A593-F724 HydrophobicContact CB-CB 3.62Å
594	H	90.2	Very high	92.5	Very high	45 Å²	45	17.4 Å²	17.4	21%	0.208	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-47.8	172.3	176.5	70.8	0	0	0	110.6	A481 H484 N590 G591 M592 E596 S597 L598	A481-H594 PolarHBondContact O-NE2 2.76Å; H484-H594 AromaticContact CD2-CG 3.76Å; H484-H594 AromaticContact CG-CG 3.95Å; N590-H594 PolarHBondContact O-N 3.03Å; G591-H594 WeakPolarHBondContact O-CB 3.48Å; G591-H594 PolarHBondContact O-N 3.2Å; M592-H594 VanDerWaalsContact C-N 3.29Å; M592-H594 PolarHBondContact O-N 3.15Å; H594-E596 PolarHBondContact O-N 3.46Å; H594-S597 PolarHBondContact O-N 3.3Å; H594-S597 PolarHBondContact O-OG 3.13Å; H594-L598 WeakPolarHBondContact NE2-CD1 2.96Å; H594-L598 PolarHBondContact O-N 3.2Å
595	L	93.1	Very high	92.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-43.2	174.8	-63.8	-179	0	0	0	112.5	A481 I487 G591 M592 S597 L598 C599 I600 F623	A481-L595 HydrophobicContact CB-CD2 4.13Å; I487-L595 HydrophobicContact CD1-CD1 3.92Å; I487-L595 HydrophobicContact CD1-CD2 4.17Å; I487-L595 HydrophobicContact CD1-CG 3.88Å; I487-L595 HydrophobicContact CG1-CD2 4.44Å; G591-L595 PolarHBondContact O-N 3.2Å; G591-L595 VanDerWaalsContact O-N 3.1Å; M592-L595 HydrophobicContact CE-CD1 4.38Å; M592-L595 PolarHBondContact O-N 3.31Å; M592-L595 HydrophobicContact SD-CD1 3.89Å; L595-S597 VanDerWaalsContact C-N 3.31Å; L595-S597 PolarHBondContact O-N 2.84Å; L595-L598 CarbonylContact O-C 3.59Å; L595-L598 PolarHBondContact O-N 3.15Å; L595-L598 VanDerWaalsContact O-N 3.09Å; L595-C599 PolarHBondContact O-N 3.31Å; L595-I600 HydrophobicContact CB-CB 4.19Å; L595-I600 HydrophobicContact CD2-CB 4.31Å; L595-I600 HydrophobicContact CD2-CD1 4.1Å; L595-I600 HydrophobicContact CD2-CG2 4.23Å; L595-I600 PolarHBondContact O-N 3.03Å; L595-F623 HydrophobicContact CD1-CE1 3.68Å; L595-F623 HydrophobicContact CD1-CZ 3.97Å; L595-F623 HydrophobicContact CD2-CE1 3.75Å; L595-F623 HydrophobicContact CD2-CZ 4.14Å; L595-F623 HydrophobicContact CG-CE1 4.38Å
596	E	94.8	Very high	93.1	Very high	39 Å²	39	17.5 Å²	17.5	18%	0.182	10%	0.102	C	C	.	.	H	α-helix	trans	-59.7	-40.7	175.5	176.8	168.6	-111.5	0	0	111.9	M592 A593 H594 L598 C599 T656 F724	M592-E596 WeakPolarHBondContact O-CB 3.35Å; M592-E596 PolarHBondContact O-N 3.3Å; A593-E596 PolarHBondContact O-N 3.1Å; H594-E596 PolarHBondContact O-N 3.46Å; E596-L598 PolarHBondContact O-N 3.41Å; E596-C599 WeakPolarHBondContact O-CA 3.32Å; E596-C599 PolarHBondContact O-N 3.13Å; E596-T656 HydrophobicContact CB-CG2 4.09Å; E596-T656 HydrophobicContact CG-CG2 4.03Å; E596-T656 WeakPolarHBondContact OE1-CB 3.38Å; E596-T656 PolarHBondContact OE1-OG1 2.85Å; E596-F724 HydrophobicContact CB-CD2 4.27Å; E596-F724 PolarHBondContact OE2-N 3.44Å
597	S	90.6	Very high	93.4	Very high	85 Å²	85	17 Å²	17	59%	0.594	10%	0.099	S	C	*	.	H	α-helix	trans	-63.3	-26.4	177.1	79.9	0	0	0	0	113.1	A593 H594 L595 C599	A593-S597 WeakPolarHBondContact O-CB 3.31Å; A593-S597 PolarHBondContact O-N 2.98Å; H594-S597 PolarHBondContact O-N 3.3Å; H594-S597 PolarHBondContact O-OG 3.13Å; L595-S597 VanDerWaalsContact C-N 3.31Å; L595-S597 PolarHBondContact O-N 2.84Å; S597-C599 VanDerWaalsContact C-N 3.33Å
598	L	89.3	Confident	93.6	Very high	59 Å²	59	20 Å²	20	31%	0.309	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.9	175.7	-61	176.9	0	0	0	112.4	L480 H594 L595 E596 I600	L480-L598 WeakPolarHBondContact O-CD1 3.06Å; H594-L598 WeakPolarHBondContact NE2-CD1 2.96Å; H594-L598 PolarHBondContact O-N 3.2Å; L595-L598 CarbonylContact O-C 3.59Å; L595-L598 PolarHBondContact O-N 3.15Å; L595-L598 VanDerWaalsContact O-N 3.09Å; E596-L598 PolarHBondContact O-N 3.41Å; L598-I600 HydrophobicContact CB-CD1 3.93Å; L598-I600 HydrophobicContact CB-CG1 3.99Å; L598-I600 HydrophobicContact CD1-CD1 4.17Å; L598-I600 PolarHBondContact O-N 3.42Å
599	C	91.6	Very high	93.5	Very high	68 Å²	68	20.6 Å²	20.6	46%	0.459	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	30.1	-173.8	-59.9	0	0	0	0	113.2	L595 E596 S597 S628 G629	L595-C599 PolarHBondContact O-N 3.31Å; E596-C599 WeakPolarHBondContact O-CA 3.32Å; E596-C599 PolarHBondContact O-N 3.13Å; S597-C599 VanDerWaalsContact C-N 3.33Å; C599-S628 CarbonylContact O-C 3.6Å; C599-S628 VanDerWaalsContact O-CA 3.29Å; C599-S628 WeakPolarHBondContact O-CA 3.37Å; C599-G629 PolarHBondContact O-N 2.88Å
600	I	91.9	Very high	93.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.2	176.2	-62.5	172.4	0	0	0	108.5	T477 L480 A481 L595 L598	T477-I600 HydrophobicContact CG2-CD1 4.36Å; T477-I600 HydrophobicContact CG2-CG2 3.93Å; L480-I600 HydrophobicContact CB-CD1 4.39Å; L480-I600 HydrophobicContact CD2-CD1 3.98Å; L480-I600 HydrophobicContact CD2-CG1 4.02Å; L480-I600 HydrophobicContact CG-CD1 4.09Å; A481-I600 HydrophobicContact CB-CD1 4.17Å; L595-I600 HydrophobicContact CB-CB 4.19Å; L595-I600 HydrophobicContact CD2-CB 4.31Å; L595-I600 HydrophobicContact CD2-CD1 4.1Å; L595-I600 HydrophobicContact CD2-CG2 4.23Å; L595-I600 PolarHBondContact O-N 3.03Å; L598-I600 HydrophobicContact CB-CD1 3.93Å; L598-I600 HydrophobicContact CB-CG1 3.99Å; L598-I600 HydrophobicContact CD1-CD1 4.17Å; L598-I600 PolarHBondContact O-N 3.42Å
601	T	94	Very high	93.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.7	168.9	-52	0	0	0	0	108.9	R603 S626 R627 G629 S655 D659	T601-R603 HydrophobicContact CG2-CG 3.52Å; T601-S626 CarbonylContact O-C 3.55Å; T601-S626 WeakPolarHBondContact O-CA 3.47Å; T601-S626 WeakPolarHBondContact O-CB 3.3Å; T601-R627 PolarHBondContact N-O 2.88Å; T601-R627 PolarHBondContact O-N 3.27Å; T601-G629 PolarHBondContact OG1-O 3.21Å; T601-S655 WeakPolarHBondContact CG2-O 3.2Å; T601-D659 WeakPolarHBondContact CA-OD2 3.26Å; T601-D659 WeakPolarHBondContact CG2-OD2 3.49Å
602	H	94.3	Very high	93.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.			trans	-75.8	-45.3	-177.9	-171.3	-45.6	0	0	0	112.9	M592 D604 I620 S621 D622 S626 D659	M592-H602 HydrophobicContact CE-CB 4.06Å; M592-H602 HydrophobicContact SD-CB 4.42Å; H602-D604 PolarHBondContact ND1-N 2.83Å; H602-D604 PolarHBondContact O-N 2.8Å; H602-D604 VanDerWaalsContact O-N 3.1Å; H602-I620 WeakPolarHBondContact CD2-CG2 3.03Å; H602-I620 VanDerWaalsContact NE2-CG2 3.27Å; H602-I620 WeakPolarHBondContact NE2-CG2 3.12Å; H602-S621 PolarHBondContact CE1-O 3.36Å; H602-S621 PolarHBondContact NE2-O 3.2Å; H602-S621 VanDerWaalsContact NE2-O 3.16Å; H602-D622 PolarHBondContact CE1-O 3.45Å; H602-S626 WeakPolarHBondContact CA-OG 3.43Å; H602-S626 PolarHBondContact O-OG 2.98Å; H602-D659 PolarHBondContact N-OD2 3.36Å
603	R	93.9	Very high	92.9	Very high	16 Å²	16	22.6 Å²	22.6	6%	0.06	13%	0.125	C	C	.	.	S	Bend	trans	67.8	-0.5	176.1	-51.5	177.2	42.6	-148.2	0.3	117.1	T601 L625 Y654 D659	T601-R603 HydrophobicContact CG2-CG 3.52Å; R603-L625 HydrophobicContact CB-CB 4.23Å; R603-L625 VanDerWaalsContact CD-O 3.28Å; R603-L625 WeakPolarHBondContact CD-O 3.38Å; R603-L625 PolarHBondContact NH1-O 3.26Å; R603-Y654 HydrophobicContact CB-CD1 3.94Å; R603-Y654 HydrophobicContact CB-CE1 4.45Å; R603-Y654 HydrophobicContact CG-CD1 3.84Å; R603-Y654 HydrophobicContact CG-CG 4.11Å; R603-D659 WeakPolarHBondContact CA-OD1 3.32Å; R603-D659 PolarHBondContact N-OD1 2.92Å
604	D	93.2	Very high	91.9	Very high	21 Å²	21	26.3 Å²	26.3	11%	0.112	14%	0.136	C	C	.	.			trans	-148.4	36.6	178	-161.5	21.4	0	0	0	111.3	H602 A606 R608 N609 L625 P640	H602-D604 PolarHBondContact ND1-N 2.83Å; H602-D604 PolarHBondContact O-N 2.8Å; H602-D604 VanDerWaalsContact O-N 3.1Å; D604-A606 PolarHBondContact O-N 2.62Å; D604-R608 IonicContact OD1-CZ 2.7Å; D604-R608 IonicContact OD1-NH2 3.06Å; D604-R608 PolarHBondContact OD1-NH2 3.01Å; D604-N609 PolarHBondContact O-ND2 2.81Å; D604-N609 PolarHBondContact OD2-ND2 2.93Å; D604-L625 HydrophobicContact CB-CD1 4.02Å; D604-P640 WeakPolarHBondContact OD1-CB 3.22Å; D604-P640 VanDerWaalsContact OD1-CG 3.31Å; D604-P640 WeakPolarHBondContact OD1-CG 3.37Å
605	L	97.3	Very high	91	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.128	C	C	.	.			trans	-68	119.8	175	-178	65.6	0	0	0	109.3	I588 M592 V610 I620 A662 Y663 V666	I588-L605 HydrophobicContact CG2-CD1 4.18Å; M592-L605 HydrophobicContact CE-CD2 4.27Å; M592-L605 HydrophobicContact CG-CD1 4.35Å; M592-L605 HydrophobicContact CG-CD2 3.77Å; M592-L605 HydrophobicContact SD-CD1 3.95Å; M592-L605 HydrophobicContact SD-CD2 3.87Å; M592-L605 HydrophobicContact SD-CG 4.4Å; L605-V610 HydrophobicContact CD1-CG2 4.49Å; L605-I620 HydrophobicContact CD1-CD1 4.34Å; L605-I620 HydrophobicContact CD1-CG2 4.22Å; L605-A662 HydrophobicContact CB-CB 4.07Å; L605-Y663 HydrophobicContact CD2-CD2 4.43Å; L605-V666 HydrophobicContact CG-CG2 4.25Å
606	A	96.4	Very high	90.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-158.8	159.2	178.4	0	0	0	0	0	109.5	D604 R608 N609 V610 W643	D604-A606 PolarHBondContact O-N 2.62Å; A606-R608 HydrophobicContact CB-CG 3.83Å; A606-R608 VanDerWaalsContact CB-NH1 3.29Å; A606-R608 PolarHBondContact O-N 3.06Å; A606-R608 VanDerWaalsContact O-N 3.15Å; A606-N609 PolarHBondContact O-N 2.68Å; A606-V610 PolarHBondContact O-N 3.03Å; A606-W643 HydrophobicContact CB-CD2 4.23Å; A606-W643 HydrophobicContact CB-CG 4.17Å; A606-W643 HydrophobicContact CB-CZ2 4.46Å
607	A	96.3	Very high	89.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30.5	178.6	0	0	0	0	0	113	L512 L513 N609 V610 E669	L512-A607 WeakPolarHBondContact CB-O 3.38Å; L512-A607 HydrophobicContact CD2-CB 4.37Å; L512-A607 HydrophobicContact CG-CB 4.41Å; L512-A607 PolarHBondContact N-O 2.86Å; L513-A607 HydrophobicContact CB-CB 4.02Å; L513-A607 PolarHBondContact N-O 2.78Å; A607-N609 PolarHBondContact O-N 2.64Å; A607-V610 PolarHBondContact O-N 3.15Å; A607-E669 HydrophobicContact CB-CB 4.15Å; A607-E669 PolarHBondContact N-OE2 2.81Å
608	R	93.9	Very high	89.7	Confident	70 Å²	70	20.5 Å²	20.5	26%	0.264	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-63.8	-22	173.9	63	169.8	-179.4	-74.7	-7.7	114.4	D511 L513 D604 A606 P640 W643	D511-R608 VanDerWaalsContact CB-O 3.24Å; D511-R608 WeakPolarHBondContact CB-O 3.43Å; L513-R608 HydrophobicContact CB-CB 4.32Å; L513-R608 HydrophobicContact CD2-CB 4.11Å; D604-R608 IonicContact OD1-CZ 2.7Å; D604-R608 IonicContact OD1-NH2 3.06Å; D604-R608 PolarHBondContact OD1-NH2 3.01Å; A606-R608 HydrophobicContact CB-CG 3.83Å; A606-R608 VanDerWaalsContact CB-NH1 3.29Å; A606-R608 PolarHBondContact O-N 3.06Å; A606-R608 VanDerWaalsContact O-N 3.15Å; R608-P640 VanDerWaalsContact NH2-CB 3.27Å; R608-W643 VanDerWaalsContact NH1-CH2 3.31Å
609	N	94.4	Very high	89.9	Confident	12 Å²	12	18.6 Å²	18.6	6%	0.064	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-104.4	6.6	-177.8	-70.2	-9.7	0	0	0	111.8	D604 A606 A607 S621 D622	D604-N609 PolarHBondContact O-ND2 2.81Å; D604-N609 PolarHBondContact OD2-ND2 2.93Å; A606-N609 PolarHBondContact O-N 2.68Å; A607-N609 PolarHBondContact O-N 2.64Å; N609-S621 WeakPolarHBondContact O-CA 3.18Å; N609-S621 PolarHBondContact O-N 2.93Å; N609-S621 PolarHBondContact O-OG 2.68Å; N609-D622 HydrophobicContact CB-CB 4.4Å
610	V	96.8	Very high	90.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.4	170.4	179.7	0	0	0	0	108.1	D511 L512 I588 L605 A606 A607 L618 I620	D511-V610 CarbonylContact C-O 3.47Å; D511-V610 WeakPolarHBondContact CA-O 3.35Å; L512-V610 HydrophobicContact CB-CB 4.03Å; L512-V610 HydrophobicContact CB-CG1 4.22Å; L512-V610 WeakPolarHBondContact CB-O 3.19Å; L512-V610 HydrophobicContact CD2-CB 4.22Å; L512-V610 HydrophobicContact CD2-CG1 4.12Å; L512-V610 PolarHBondContact N-O 3.34Å; I588-V610 HydrophobicContact CD1-CG1 4.21Å; I588-V610 HydrophobicContact CD1-CG2 4.11Å; I588-V610 HydrophobicContact CG1-CG1 4.1Å; I588-V610 HydrophobicContact CG1-CG2 4.21Å; L605-V610 HydrophobicContact CD1-CG2 4.49Å; A606-V610 PolarHBondContact O-N 3.03Å; A607-V610 PolarHBondContact O-N 3.15Å; V610-L618 HydrophobicContact CG1-CB 3.85Å; V610-L618 HydrophobicContact CG1-CD1 4.13Å; V610-L618 HydrophobicContact CG1-CD2 4.46Å; V610-L618 HydrophobicContact CG1-CG 4.39Å; V610-I620 HydrophobicContact CG2-CG1 4.42Å
611	L	94.1	Very high	90.2	Very high	41 Å²	41	16.1 Å²	16.1	22%	0.215	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.3	179.7	-56.2	179.7	0	0	0	111.5	I488 I507 G510 D511 L618 K619	I488-L611 HydrophobicContact CD1-CD1 4.1Å; I507-L611 HydrophobicContact CB-CB 3.82Å; I507-L611 HydrophobicContact CB-CD1 3.99Å; I507-L611 HydrophobicContact CG1-CB 4.14Å; I507-L611 HydrophobicContact CG1-CD1 4.04Å; I507-L611 HydrophobicContact CG2-CB 3.51Å; G510-L611 CarbonylContact O-C 3.43Å; G510-L611 VanDerWaalsContact O-CA 3.28Å; G510-L611 WeakPolarHBondContact O-CA 3.18Å; D511-L611 HydrophobicContact CB-CD2 4.24Å; L611-L618 CarbonylContact O-C 3.59Å; L611-L618 WeakPolarHBondContact O-CA 3.07Å; L611-K619 PolarHBondContact N-O 2.88Å; L611-K619 PolarHBondContact O-N 3.47Å
612	V	88.2	Confident	89.7	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.8	-179.2	-169.5	0	0	0	0	110.1	I507 Y509 G510 L512 Y515 L618	I507-V612 WeakPolarHBondContact CG2-O 3.41Å; Y509-V612 WeakPolarHBondContact CA-O 3.24Å; Y509-V612 WeakPolarHBondContact CB-O 3.18Å; Y509-V612 HydrophobicContact CD2-CG1 4.2Å; Y509-V612 WeakPolarHBondContact CD2-O 3.46Å; Y509-V612 PolarHBondContact N-O 3.32Å; G510-V612 PolarHBondContact O-N 2.65Å; L512-V612 HydrophobicContact CB-CG2 3.95Å; L512-V612 HydrophobicContact CD1-CG2 3.91Å; Y515-V612 HydrophobicContact CD2-CB 4.17Å; Y515-V612 HydrophobicContact CD2-CG1 3.92Å; Y515-V612 HydrophobicContact CD2-CG2 4.15Å; Y515-V612 HydrophobicContact CE2-CG1 3.96Å; Y515-V612 HydrophobicContact CG-CB 4.48Å; Y515-V612 HydrophobicContact CG-CG1 4.39Å; Y515-V612 HydrophobicContact CG-CG2 3.97Å; V612-L618 HydrophobicContact CB-CD2 4.13Å; V612-L618 HydrophobicContact CG1-CD2 3.99Å; V612-L618 HydrophobicContact CG2-CD2 3.72Å
613	G	82.8	Confident	89	Confident	4 Å²	4	18.6 Å²	18.6	4%	0.041	9%	0.09	C	C	.	.			trans	-96.7	-179	179.5	0	0	0	0	0	114.1	Y509 K616 C617	Y509-G613 VanDerWaalsContact CD2-O 3.27Å; Y509-G613 WeakPolarHBondContact CD2-O 3.43Å; Y509-G613 VanDerWaalsContact CE2-O 3.29Å; Y509-G613 WeakPolarHBondContact CE2-O 3.31Å; G613-K616 PolarHBondContact O-N 2.66Å; G613-K616 VanDerWaalsContact O-N 3.12Å; G613-C617 WeakPolarHBondContact CA-O 2.99Å; G613-C617 PolarHBondContact N-O 2.71Å; G613-C617 PolarHBondContact O-N 2.79Å
614	R	72.6	Confident	88	Confident	89 Å²	89	18.3 Å²	18.3	34%	0.336	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-54.8	139.8	174.7	-64.1	-173	178.3	-86.8	-1.1	110.8	E63 E66 P508 K616 C617	E63-R614 VanDerWaalsContact CA-NH1 3.31Å; E66-R614 WeakPolarHBondContact OE1-CA 3.27Å; E66-R614 VanDerWaalsContact OE2-CG 3.3Å; E66-R614 WeakPolarHBondContact OE2-CG 3.15Å; E66-R614 IonicContact OE2-CZ 3.24Å; E66-R614 IonicContact OE2-NH1 2.85Å; E66-R614 PolarHBondContact OE2-NH1 3.46Å; P508-R614 HydrophobicContact CG-CG 3.91Å; R614-K616 VanDerWaalsContact C-N 3.28Å; R614-K616 PolarHBondContact O-N 3.35Å; R614-C617 WeakPolarHBondContact O-CB 3.42Å
615	G	70.9	Confident	87.1	Confident	3 Å²	3	20.5 Å²	20.5	3%	0.031	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	58.3	45.2	-174.8	0	0	0	0	0	111.8	T59 E66 Y73 C617	T59-G615 VanDerWaalsContact CG2-CA 3.49Å; E66-G615 PolarHBondContact OE1-N 2.81Å; Y73-G615 VanDerWaalsContact CZ-O 3.28Å; Y73-G615 WeakPolarHBondContact OH-CA 3.46Å; Y73-G615 PolarHBondContact OH-O 3.08Å; G615-C617 PolarHBondContact O-N 2.95Å
616	K	79.3	Confident	86.1	Confident	6 Å²	6	20.4 Å²	20.4	3%	0.026	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	44.1	33.6	175.2	-51.5	-179.4	175.6	173.3	0	113.6	S575 L576 E580 F584 Q587 G613 R614 L618	S575-K616 PolarHBondContact O-NZ 2.78Å; L576-K616 HydrophobicContact CD2-CD 4.15Å; E580-K616 IonicContact OE1-NZ 3.09Å; E580-K616 PolarHBondContact OE1-NZ 3.02Å; E580-K616 IonicContact OE2-NZ 2.84Å; E580-K616 PolarHBondContact OE2-NZ 2.81Å; F584-K616 HydrophobicContact CE1-CB 3.74Å; F584-K616 HydrophobicContact CE1-CD 4.42Å; F584-K616 HydrophobicContact CZ-CB 4.07Å; F584-K616 HydrophobicContact CZ-CD 4.35Å; Q587-K616 PolarHBondContact NE2-O 3.35Å; G613-K616 PolarHBondContact O-N 2.66Å; G613-K616 VanDerWaalsContact O-N 3.12Å; R614-K616 VanDerWaalsContact C-N 3.28Å; R614-K616 PolarHBondContact O-N 3.35Å; K616-L618 PolarHBondContact O-N 3.37Å
617	C	80.6	Confident	85.3	Confident	38 Å²	38	23 Å²	23	26%	0.257	11%	0.113	S	C	.	.			trans	-82.4	116.1	-178.3	-179.9	0	0	0	0	108.3	G613 R614 G615	G613-C617 WeakPolarHBondContact CA-O 2.99Å; G613-C617 PolarHBondContact N-O 2.71Å; G613-C617 PolarHBondContact O-N 2.79Å; R614-C617 WeakPolarHBondContact O-CB 3.42Å; G615-C617 PolarHBondContact O-N 2.95Å
618	L	92.8	Very high	83.9	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.8	-175.5	-59.5	-166.8	0	0	0	111.4	N486 L512 F584 Q587 I588 V610 L611 V612 K616	N486-L618 VanDerWaalsContact CA-O 3.23Å; N486-L618 WeakPolarHBondContact CA-O 3.45Å; N486-L618 WeakPolarHBondContact CB-O 3.33Å; N486-L618 PolarHBondContact ND2-O 3.26Å; L512-L618 HydrophobicContact CD1-CD1 4.45Å; L512-L618 HydrophobicContact CD1-CD2 4.22Å; L512-L618 HydrophobicContact CD2-CD1 4.04Å; F584-L618 HydrophobicContact CB-CD1 3.56Å; F584-L618 HydrophobicContact CD1-CD1 3.88Å; F584-L618 HydrophobicContact CD1-CD2 4.39Å; F584-L618 HydrophobicContact CD1-CG 4.11Å; F584-L618 HydrophobicContact CD2-CD1 4.19Å; F584-L618 HydrophobicContact CE1-CD2 4.39Å; F584-L618 HydrophobicContact CG-CD1 3.62Å; F584-L618 HydrophobicContact CG-CG 4.32Å; Q587-L618 HydrophobicContact CB-CB 4.13Å; Q587-L618 HydrophobicContact CB-CG 4.47Å; I588-L618 HydrophobicContact CD1-CD1 3.97Å; I588-L618 HydrophobicContact CG1-CD1 3.99Å; V610-L618 HydrophobicContact CG1-CB 3.85Å; V610-L618 HydrophobicContact CG1-CD1 4.13Å; V610-L618 HydrophobicContact CG1-CD2 4.46Å; V610-L618 HydrophobicContact CG1-CG 4.39Å; L611-L618 CarbonylContact O-C 3.59Å; L611-L618 WeakPolarHBondContact O-CA 3.07Å; V612-L618 HydrophobicContact CB-CD2 4.13Å; V612-L618 HydrophobicContact CG1-CD2 3.99Å; V612-L618 HydrophobicContact CG2-CD2 3.72Å; K616-L618 PolarHBondContact O-N 3.37Å
619	K	92.7	Very high	83	Confident	19 Å²	19	24.8 Å²	24.8	8%	0.083	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.3	176.3	-78.2	168	168.1	-77	0	111.1	H484 P485 N486 I487 I488 E505 I507 L611	H484-K619 PolarHBondContact O-NZ 3.37Å; P485-K619 WeakPolarHBondContact O-CE 3.49Å; P485-K619 VanDerWaalsContact O-CG 3.27Å; P485-K619 WeakPolarHBondContact O-CG 3.39Å; P485-K619 PolarHBondContact O-NZ 2.97Å; N486-K619 WeakPolarHBondContact O-CA 3.09Å; I487-K619 PolarHBondContact O-NZ 3.11Å; I488-K619 HydrophobicContact CD1-CB 4.47Å; E505-K619 VanDerWaalsContact CD-CE 3.49Å; E505-K619 VanDerWaalsContact CD-NZ 3.35Å; E505-K619 WeakPolarHBondContact OE1-CD 3.24Å; E505-K619 VanDerWaalsContact OE1-CE 3.26Å; E505-K619 WeakPolarHBondContact OE1-CE 3.21Å; E505-K619 IonicContact OE1-NZ 3.73Å; E505-K619 PolarHBondContact OE1-NZ 3.23Å; E505-K619 WeakPolarHBondContact OE2-CE 3.26Å; E505-K619 IonicContact OE2-NZ 3.67Å; E505-K619 PolarHBondContact OE2-NZ 3.26Å; I507-K619 HydrophobicContact CD1-CD 3.48Å; I507-K619 VanDerWaalsContact CD1-CD 3.48Å; I507-K619 HydrophobicContact CG1-CD 4.27Å; L611-K619 PolarHBondContact N-O 2.88Å; L611-K619 PolarHBondContact O-N 3.47Å
620	I	96.7	Very high	82	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.5	174.8	-54.2	176.9	0	0	0	108.9	N486 I487 I488 I588 M592 H602 L605 V610	N486-I620 PolarHBondContact O-N 2.97Å; I487-I620 HydrophobicContact CD1-CB 3.82Å; I487-I620 HydrophobicContact CD1-CD1 3.98Å; I487-I620 HydrophobicContact CD1-CG1 4.23Å; I488-I620 WeakPolarHBondContact CB-O 3.44Å; I488-I620 WeakPolarHBondContact CG2-O 3.18Å; I488-I620 PolarHBondContact N-O 3.49Å; I588-I620 HydrophobicContact CG2-CD1 4.11Å; M592-I620 HydrophobicContact CG-CD1 3.64Å; M592-I620 HydrophobicContact SD-CD1 3.66Å; H602-I620 WeakPolarHBondContact CD2-CG2 3.03Å; H602-I620 VanDerWaalsContact NE2-CG2 3.27Å; H602-I620 WeakPolarHBondContact NE2-CG2 3.12Å; L605-I620 HydrophobicContact CD1-CD1 4.34Å; L605-I620 HydrophobicContact CD1-CG2 4.22Å; V610-I620 HydrophobicContact CG2-CG1 4.42Å
621	S	92.8	Very high	81	Confident	14 Å²	14	33.2 Å²	33.2	10%	0.098	18%	0.181	C	C	.	.			trans	-142.4	-179.8	-173.1	72.6	0	0	0	0	111.9	H602 N609	H602-S621 PolarHBondContact CE1-O 3.36Å; H602-S621 PolarHBondContact NE2-O 3.2Å; H602-S621 VanDerWaalsContact NE2-O 3.16Å; N609-S621 WeakPolarHBondContact O-CA 3.18Å; N609-S621 PolarHBondContact O-N 2.93Å; N609-S621 PolarHBondContact O-OG 2.68Å
622	D	84.1	Confident	80.3	Confident	54 Å²	54	35.1 Å²	35.1	29%	0.289	19%	0.194	S	C	.	.			trans	61.3	71.7	179.6	-154.7	11	0	0	0	114.6	K457 H602 N609 G624	K457-D622 IonicContact NZ-OD1 3.13Å; K457-D622 PolarHBondContact NZ-OD1 3.34Å; H602-D622 PolarHBondContact CE1-O 3.45Å; N609-D622 HydrophobicContact CB-CB 4.4Å; D622-G624 PolarHBondContact O-N 3.3Å
623	F	79.5	Confident	79.7	Confident	1 Å²	1	36.4 Å²	36.4	0%	0.004	20%	0.199	C	C	.	.			trans	-84.7	16.2	179.7	-70.1	-102.6	0	0	0	112.9	E474 T477 M478 I487 I488 L595 L625 S626	E474-F623 HydrophobicContact CG-CB 4.12Å; T477-F623 HydrophobicContact CG2-CB 4.48Å; T477-F623 HydrophobicContact CG2-CD1 3.95Å; M478-F623 HydrophobicContact CG-CB 4.4Å; M478-F623 HydrophobicContact CG-CD2 4.37Å; M478-F623 HydrophobicContact CG-CG 4.47Å; M478-F623 HydrophobicContact SD-CB 4.35Å; M478-F623 HydrophobicContact SD-CD2 3.28Å; M478-F623 WeakPolarHBondContact SD-CD2 3.31Å; M478-F623 HydrophobicContact SD-CE2 3.66Å; M478-F623 HydrophobicContact SD-CG 3.87Å; M478-F623 HydrophobicContact SD-CZ 4.5Å; I487-F623 HydrophobicContact CD1-CZ 4.48Å; I487-F623 HydrophobicContact CG2-CE2 4.12Å; I487-F623 HydrophobicContact CG2-CZ 3.74Å; I488-F623 HydrophobicContact CG2-CD2 4.45Å; I488-F623 HydrophobicContact CG2-CE2 4.04Å; L595-F623 HydrophobicContact CD1-CE1 3.68Å; L595-F623 HydrophobicContact CD1-CZ 3.97Å; L595-F623 HydrophobicContact CD2-CE1 3.75Å; L595-F623 HydrophobicContact CD2-CZ 4.14Å; L595-F623 HydrophobicContact CG-CE1 4.38Å; F623-L625 PolarHBondContact O-N 3.06Å; F623-S626 VanDerWaalsContact CA-OG 3.28Å; F623-S626 WeakPolarHBondContact CA-OG 3.44Å; F623-S626 WeakPolarHBondContact CB-OG 3.04Å; F623-S626 VanDerWaalsContact CD1-OG 3.27Å; F623-S626 WeakPolarHBondContact CD1-OG 3.35Å; F623-S626 WeakPolarHBondContact O-CB 3.36Å; F623-S626 PolarHBondContact O-N 2.77Å; F623-S626 PolarHBondContact O-OG 2.78Å
624	G	72.7	Confident	79	Confident	10 Å²	10	42.3 Å²	42.3	10%	0.103	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.2	-174.7	0	0	0	0	0	114.4	D622	D622-G624 PolarHBondContact O-N 3.3Å
625	L	74.8	Confident	78.9	Confident	66 Å²	66	42.3 Å²	42.3	35%	0.346	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-5.5	175.6	-65	177.4	0	0	0	113.7	R603 D604 F623	R603-L625 HydrophobicContact CB-CB 4.23Å; R603-L625 VanDerWaalsContact CD-O 3.28Å; R603-L625 WeakPolarHBondContact CD-O 3.38Å; R603-L625 PolarHBondContact NH1-O 3.26Å; D604-L625 HydrophobicContact CB-CD1 4.02Å; F623-L625 PolarHBondContact O-N 3.06Å
626	S	75.9	Confident	78.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.286	C	S	.	.			trans	-70	144.6	-171.2	-57.7	0	0	0	0	112.9	T601 H602 F623	T601-S626 CarbonylContact O-C 3.55Å; T601-S626 WeakPolarHBondContact O-CA 3.47Å; T601-S626 WeakPolarHBondContact O-CB 3.3Å; H602-S626 WeakPolarHBondContact CA-OG 3.43Å; H602-S626 PolarHBondContact O-OG 2.98Å; F623-S626 VanDerWaalsContact CA-OG 3.28Å; F623-S626 WeakPolarHBondContact CA-OG 3.44Å; F623-S626 WeakPolarHBondContact CB-OG 3.04Å; F623-S626 VanDerWaalsContact CD1-OG 3.27Å; F623-S626 WeakPolarHBondContact CD1-OG 3.35Å; F623-S626 WeakPolarHBondContact O-CB 3.36Å; F623-S626 PolarHBondContact O-N 2.77Å; F623-S626 PolarHBondContact O-OG 2.78Å
627	R	79.1	Confident	78.2	Confident	55 Å²	55	50.3 Å²	50.3	21%	0.208	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.4	179.5	-65	-65.1	-179.6	-98.9	5.1	110.8	L473 T601 Y631	L473-R627 VanDerWaalsContact CD2-NH2 3.33Å; T601-R627 PolarHBondContact N-O 2.88Å; T601-R627 PolarHBondContact O-N 3.27Å; R627-Y631 HydrophobicContact CG-CD2 4.32Å; R627-Y631 HydrophobicContact CG-CG 4.5Å
628	S	67.9	Low	78	Confident	75 Å²	75	60.6 Å²	60.6	52%	0.524	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.5	171.8	-56.7	0	0	0	0	111.3	C599	C599-S628 CarbonylContact O-C 3.6Å; C599-S628 VanDerWaalsContact O-CA 3.29Å; C599-S628 WeakPolarHBondContact O-CA 3.37Å
629	G	74.3	Confident	77.6	Confident	32 Å²	32	63.3 Å²	63.3	33%	0.33	36%	0.359	S	S	.	.	S	Bend	trans	74.6	-164.5	177.3	0	0	0	0	0	114.5	C599 T601	C599-G629 PolarHBondContact O-N 2.88Å; T601-G629 PolarHBondContact OG1-O 3.21Å
630	I	73.4	Confident	77.5	Confident	131 Å²	131	63.3 Å²	63.3	67%	0.672	36%	0.361	S	S	*	.			trans	-77.2	135.1	176.2	-59.7	172.6	0	0	0	108.7	T653 Y654	I630-T653 HydrophobicContact CG2-CG2 4.07Å; I630-Y654 WeakPolarHBondContact CA-O 3.45Å
631	Y	76.5	Confident	77.3	Confident	58 Å²	58	65.6 Å²	65.6	23%	0.227	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.7	-177.2	175.6	-98.3	0	0	0	111.5	R627 K633 Y654	R627-Y631 HydrophobicContact CG-CD2 4.32Å; R627-Y631 HydrophobicContact CG-CG 4.5Å; Y631-K633 HydrophobicContact CD1-CB 4.4Å; Y631-K633 HydrophobicContact CE1-CB 3.6Å; Y631-K633 HydrophobicContact CE1-CG 4.01Å; Y631-Y654 AromaticContact CD1-CD2 3.98Å; Y631-Y654 HydrophobicContact CD1-CD2 3.98Å; Y631-Y654 PolarHBondContact N-O 2.95Å; Y631-Y654 PolarHBondContact O-N 2.93Å
632	V	78.6	Confident	77.4	Confident	80 Å²	80	65.9 Å²	65.9	49%	0.485	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.2	171.5	-178.6	0	0	0	0	108.8	T634 H652	V632-T634 PolarHBondContact O-N 3.11Å; V632-H652 WeakPolarHBondContact CA-O 3.13Å
633	K	74.8	Confident	78.1	Confident	27 Å²	27	64.5 Å²	64.5	12%	0.117	36%	0.362	C	S	.	.			trans	-75.5	117.7	-178.8	-165.7	-173.1	-177.7	-172.5	0	110.3	Y631 T635 G637 V639 H652 Y654	Y631-K633 HydrophobicContact CD1-CB 4.4Å; Y631-K633 HydrophobicContact CE1-CB 3.6Å; Y631-K633 HydrophobicContact CE1-CG 4.01Å; K633-T635 WeakPolarHBondContact CE-O 3.02Å; K633-G637 PolarHBondContact NZ-O 2.93Å; K633-V639 HydrophobicContact CD-CG1 4.5Å; K633-H652 HydrophobicContact CB-CB 4.09Å; K633-H652 PolarHBondContact N-O 2.86Å; K633-Y654 HydrophobicContact CB-CE2 3.87Å
634	T	69.6	Low	78.9	Confident	128 Å²	128	65 Å²	65	79%	0.785	37%	0.365	S	S	*	.			trans	-96.2	-13	176.1	55.1	0	0	0	0	113.6	V632	V632-T634 PolarHBondContact O-N 3.11Å
635	T	69.9	Low	80.1	Confident	90 Å²	90	64.5 Å²	64.5	55%	0.552	36%	0.36	S	S	*	.	S	Bend	trans	-95.6	139.1	-175	54.2	0	0	0	0	113	K633	K633-T635 WeakPolarHBondContact CE-O 3.02Å
636	S	65.7	Low	81.2	Confident	127 Å²	127	61.5 Å²	61.5	89%	0.888	34%	0.344	S	S	*	.			trans	-77.8	119.5	170.6	57	0	0	0	0	110.3
637	G	70.1	Confident	82.2	Confident	49 Å²	49	62.2 Å²	62.2	51%	0.505	35%	0.348	S	S	.	.			trans	-168.4	164.3	177.1	0	0	0	0	0	111.3	K633	K633-G637 PolarHBondContact NZ-O 2.93Å
638	R	75.6	Confident	83	Confident	254 Å²	254	59.6 Å²	59.6	96%	0.958	34%	0.338	S	S	*	.			trans	-57.1	143.3	177.2	-68	-176.4	-179.2	174.5	-0.1	110.5
639	V	85.2	Confident	84.3	Confident	58 Å²	58	57 Å²	57	35%	0.352	32%	0.318	S	S	.	.			trans	-135.2	153.2	179.7	-68.1	0	0	0	0	109.9	K633 L641 L644	K633-V639 HydrophobicContact CD-CG1 4.5Å; V639-L641 PolarHBondContact O-N 3.38Å; V639-L644 HydrophobicContact CB-CD1 4.04Å; V639-L644 HydrophobicContact CG2-CD1 3.93Å
640	P	89.6	Confident	85.3	Confident	20 Å²	20	61.3 Å²	61.3	13%	0.13	32%	0.324	C	S	.	.			trans	-76.9	63.8	178.6	35.2	-39.7	0	0	0	111.3	D604 R608 R642 W643 L644	D604-P640 WeakPolarHBondContact OD1-CB 3.22Å; D604-P640 VanDerWaalsContact OD1-CG 3.31Å; D604-P640 WeakPolarHBondContact OD1-CG 3.37Å; R608-P640 VanDerWaalsContact NH2-CB 3.27Å; P640-R642 VanDerWaalsContact C-N 3.29Å; P640-R642 PolarHBondContact O-N 2.83Å; P640-W643 HydrophobicContact CB-CE3 4.28Å; P640-W643 PolarHBondContact O-N 2.88Å; P640-L644 HydrophobicContact CG-CD2 4.12Å
641	L	93.1	Very high	86.2	Confident	48 Å²	48	58.5 Å²	58.5	25%	0.251	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-42.8	-48	-164.9	-177.2	63.4	0	0	0	114.6	V639 W643 L644 M649 D683 I686	V639-L641 PolarHBondContact O-N 3.38Å; L641-W643 PolarHBondContact O-N 3.3Å; L641-L644 PolarHBondContact O-N 2.82Å; L641-M649 HydrophobicContact CD1-CG 4.11Å; L641-M649 HydrophobicContact CD1-SD 3.71Å; L641-M649 WeakPolarHBondContact O-CE 3.48Å; L641-D683 HydrophobicContact CD2-CB 3.78Å; L641-D683 WeakPolarHBondContact CD2-O 3.15Å; L641-I686 HydrophobicContact CD2-CD1 3.95Å; L641-I686 HydrophobicContact CG-CD1 4.1Å
642	R	96	Very high	87	Confident	20 Å²	20	60.2 Å²	60.2	8%	0.075	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-70.9	-12.4	-174.8	-71.1	160.9	-177.1	-80.6	-5.6	115.2	P640 F676 P677 Y678 V681 D683 I686	P640-R642 VanDerWaalsContact C-N 3.29Å; P640-R642 PolarHBondContact O-N 2.83Å; R642-F676 VanDerWaalsContact CD-CZ 3.43Å; R642-P677 HydrophobicContact CB-CB 4.39Å; R642-P677 WeakPolarHBondContact CD-O 3.22Å; R642-P677 PolarHBondContact NH1-O 3.04Å; R642-Y678 PolarHBondContact NH1-O 2.97Å; R642-V681 PolarHBondContact NH2-O 2.85Å; R642-D683 IonicContact CZ-OD1 3.79Å; R642-D683 VanDerWaalsContact CZ-OD1 3.26Å; R642-D683 IonicContact NE-OD1 2.68Å; R642-D683 PolarHBondContact NE-OD1 2.84Å; R642-D683 IonicContact NH2-OD1 2.62Å; R642-D683 PolarHBondContact NH2-OD1 2.98Å; R642-I686 HydrophobicContact CG-CD1 3.54Å
643	W	97.5	Very high	87.7	Confident	26 Å²	26	58.4 Å²	58.4	10%	0.098	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-101.8	-10.1	175.3	-69.3	-100.3	0	0	0	112.7	A606 R608 P640 L641 A662 V665 E669 F676 P677	A606-W643 HydrophobicContact CB-CD2 4.23Å; A606-W643 HydrophobicContact CB-CG 4.17Å; A606-W643 HydrophobicContact CB-CZ2 4.46Å; R608-W643 VanDerWaalsContact NH1-CH2 3.31Å; P640-W643 HydrophobicContact CB-CE3 4.28Å; P640-W643 PolarHBondContact O-N 2.88Å; L641-W643 PolarHBondContact O-N 3.3Å; W643-A662 HydrophobicContact CB-CB 4.42Å; W643-A662 WeakPolarHBondContact O-CA 3.49Å; W643-A662 WeakPolarHBondContact O-CB 3.26Å; W643-V665 HydrophobicContact CG-CG1 4.15Å; W643-E669 WeakPolarHBondContact CZ2-OE1 3.41Å; W643-E669 PolarHBondContact NE1-OE2 3.12Å; W643-F676 HydrophobicContact CH2-CE2 4.44Å; W643-P677 HydrophobicContact CZ2-CG 4.02Å
644	L	96.7	Very high	88.7	Confident	11 Å²	11	57.4 Å²	57.4	6%	0.058	31%	0.305	C	S	.	.			trans	-73.9	147.6	-178.3	-63.5	-177.5	0	0	0	111.6	V639 P640 L641 A648 M649 Y654 W661	V639-L644 HydrophobicContact CB-CD1 4.04Å; V639-L644 HydrophobicContact CG2-CD1 3.93Å; P640-L644 HydrophobicContact CG-CD2 4.12Å; L641-L644 PolarHBondContact O-N 2.82Å; L644-A648 HydrophobicContact CB-CB 4.24Å; L644-A648 HydrophobicContact CD2-CB 4.28Å; L644-M649 HydrophobicContact CB-CE 3.95Å; L644-M649 HydrophobicContact CB-CG 3.63Å; L644-M649 HydrophobicContact CD1-CG 4.08Å; L644-M649 WeakPolarHBondContact O-CE 3.31Å; L644-Y654 HydrophobicContact CD2-CE1 3.71Å; L644-W661 PolarHBondContact O-NE1 3.45Å
645	S	97.9	Very high	89.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.			trans	-75.7	166.2	167.2	58.7	0	0	0	0	112.1	E647 A648 M649 S658	S645-E647 WeakPolarHBondContact CB-OE1 3.47Å; S645-E647 VanDerWaalsContact CB-OE2 3.32Å; S645-E647 WeakPolarHBondContact CB-OE2 3.32Å; S645-E647 PolarHBondContact O-N 2.89Å; S645-E647 PolarHBondContact OG-OE1 3.39Å; S645-E647 PolarHBondContact OG-OE2 2.84Å; S645-A648 PolarHBondContact O-N 2.91Å; S645-A648 WeakPolarHBondContact OG-CB 3.21Å; S645-A648 PolarHBondContact OG-N 2.87Å; S645-M649 WeakPolarHBondContact O-CG 3.46Å; S645-M649 PolarHBondContact O-N 2.77Å; S645-S658 WeakPolarHBondContact OG-CB 3.43Å
646	I	98	Very high	91.1	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-49.3	-179.1	-62.9	171.8	0	0	0	110.9	A648 M649 R650 W661 L687 L690 E691 E716	I646-A648 VanDerWaalsContact C-N 3.32Å; I646-A648 PolarHBondContact O-N 3.22Å; I646-M649 PolarHBondContact O-N 3.29Å; I646-R650 WeakPolarHBondContact O-CB 3.46Å; I646-R650 PolarHBondContact O-N 2.89Å; I646-W661 HydrophobicContact CD1-CH2 3.99Å; I646-W661 HydrophobicContact CD1-CZ3 4.1Å; I646-W661 HydrophobicContact CG1-CH2 3.87Å; I646-W661 HydrophobicContact CG1-CZ3 4.1Å; I646-L687 HydrophobicContact CG2-CD1 4.06Å; I646-L690 HydrophobicContact CD1-CB 4.08Å; I646-L690 HydrophobicContact CG1-CB 3.87Å; I646-L690 HydrophobicContact CG1-CD1 4.34Å; I646-E691 HydrophobicContact CG2-CG 4.06Å; I646-E716 HydrophobicContact CD1-CB 4.46Å; I646-E716 HydrophobicContact CD1-CG 4.01Å
647	E	97.5	Very high	92.7	Very high	14 Å²	14	45.5 Å²	45.5	7%	0.065	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-30	179.5	73.6	-72.9	172.8	0	0	113.3	S645 D651 H652 T653 P718 R721	S645-E647 WeakPolarHBondContact CB-OE1 3.47Å; S645-E647 VanDerWaalsContact CB-OE2 3.32Å; S645-E647 WeakPolarHBondContact CB-OE2 3.32Å; S645-E647 PolarHBondContact O-N 2.89Å; S645-E647 PolarHBondContact OG-OE1 3.39Å; S645-E647 PolarHBondContact OG-OE2 2.84Å; E647-D651 CarbonylContact O-C 3.59Å; E647-D651 WeakPolarHBondContact O-CA 3.29Å; E647-D651 WeakPolarHBondContact O-CB 3.48Å; E647-D651 PolarHBondContact O-N 3.41Å; E647-H652 PolarHBondContact O-N 2.99Å; E647-T653 PolarHBondContact O-N 2.96Å; E647-P718 HydrophobicContact CG-CG 4Å; E647-R721 IonicContact OE1-CZ 3.75Å; E647-R721 IonicContact OE1-NH1 3.26Å; E647-R721 PolarHBondContact OE1-NH1 2.86Å; E647-R721 IonicContact OE1-NH2 2.79Å; E647-R721 IonicContact OE2-CZ 3.82Å; E647-R721 IonicContact OE2-NH1 3.1Å; E647-R721 PolarHBondContact OE2-NH1 2.81Å; E647-R721 IonicContact OE2-NH2 2.81Å; E647-R721 PolarHBondContact OE2-NH2 3.13Å
648	A	96	Very high	94	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-73.8	-32.5	175.3	0	0	0	0	0	112.1	L644 S645 I646 H652 T653 Y654	L644-A648 HydrophobicContact CB-CB 4.24Å; L644-A648 HydrophobicContact CD2-CB 4.28Å; S645-A648 PolarHBondContact O-N 2.91Å; S645-A648 WeakPolarHBondContact OG-CB 3.21Å; S645-A648 PolarHBondContact OG-N 2.87Å; I646-A648 VanDerWaalsContact C-N 3.32Å; I646-A648 PolarHBondContact O-N 3.22Å; A648-H652 WeakPolarHBondContact O-CA 3.18Å; A648-H652 PolarHBondContact O-N 2.92Å; A648-T653 VanDerWaalsContact CA-O 3.29Å; A648-T653 WeakPolarHBondContact CA-O 3.4Å; A648-T653 WeakPolarHBondContact CB-O 3.41Å; A648-T653 PolarHBondContact N-O 3.08Å; A648-Y654 HydrophobicContact CB-CD1 4.17Å; A648-Y654 HydrophobicContact CB-CE1 4.01Å
649	M	94.8	Very high	95.1	Very high	21 Å²	21	31.4 Å²	31.4	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-74.2	-51.4	173.8	-68.4	-166.4	-145.1	0	0	112	L641 L644 S645 I646 I686 L687 L690	L641-M649 HydrophobicContact CD1-CG 4.11Å; L641-M649 HydrophobicContact CD1-SD 3.71Å; L641-M649 WeakPolarHBondContact O-CE 3.48Å; L644-M649 HydrophobicContact CB-CE 3.95Å; L644-M649 HydrophobicContact CB-CG 3.63Å; L644-M649 HydrophobicContact CD1-CG 4.08Å; L644-M649 WeakPolarHBondContact O-CE 3.31Å; S645-M649 WeakPolarHBondContact O-CG 3.46Å; S645-M649 PolarHBondContact O-N 2.77Å; I646-M649 PolarHBondContact O-N 3.29Å; M649-I686 HydrophobicContact CE-CG2 3.69Å; M649-I686 HydrophobicContact SD-CG2 3.94Å; M649-L687 HydrophobicContact CB-CD1 4.08Å; M649-L687 HydrophobicContact SD-CB 4.42Å; M649-L690 HydrophobicContact CE-CD1 3.49Å; M649-L690 VanDerWaalsContact CE-CD1 3.49Å; M649-L690 HydrophobicContact SD-CD1 4.37Å
650	R	94.3	Very high	95.7	Very high	123 Å²	123	28.7 Å²	28.7	46%	0.464	14%	0.139	S	C	.	.	H	α-helix	trans	-75	-50	-173.2	-171.7	-177.1	64.3	-151.6	-3.9	112.5	I646 L687 E691	I646-R650 WeakPolarHBondContact O-CB 3.46Å; I646-R650 PolarHBondContact O-N 2.89Å; R650-L687 HydrophobicContact CB-CD1 4.29Å; R650-L687 HydrophobicContact CB-CD2 4.17Å; R650-L687 HydrophobicContact CG-CD2 4.47Å; R650-E691 WeakPolarHBondContact CD-OE1 3.3Å; R650-E691 IonicContact NH1-OE1 3.26Å
651	D	93.8	Very high	96.1	Very high	71 Å²	71	27.7 Å²	27.7	38%	0.38	13%	0.133	S	C	.	.	S	Bend	trans	-110.2	2.5	-167.3	-49.7	-43.5	0	0	0	112.2	E647 T653	E647-D651 CarbonylContact O-C 3.59Å; E647-D651 WeakPolarHBondContact O-CA 3.29Å; E647-D651 WeakPolarHBondContact O-CB 3.48Å; E647-D651 PolarHBondContact O-N 3.41Å; D651-T653 PolarHBondContact O-N 2.98Å; D651-T653 PolarHBondContact O-OG1 2.85Å
652	H	92.5	Very high	96.4	Very high	95 Å²	95	25.7 Å²	25.7	44%	0.44	12%	0.123	S	C	.	.			trans	52.6	28	-175	-62.6	-33.5	0	0	0	113.9	V632 K633 E647 A648 Y654	V632-H652 WeakPolarHBondContact CA-O 3.13Å; K633-H652 HydrophobicContact CB-CB 4.09Å; K633-H652 PolarHBondContact N-O 2.86Å; E647-H652 PolarHBondContact O-N 2.99Å; A648-H652 WeakPolarHBondContact O-CA 3.18Å; A648-H652 PolarHBondContact O-N 2.92Å; H652-Y654 WeakPolarHBondContact O-CD2 3.44Å; H652-Y654 VanDerWaalsContact O-CE2 3.24Å; H652-Y654 WeakPolarHBondContact O-CE2 3.41Å
653	T	93.6	Very high	96.5	Very high	42 Å²	42	24.7 Å²	24.7	26%	0.258	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.4	-177.1	-63.5	0	0	0	0	110.1	I630 E647 A648 D651	I630-T653 HydrophobicContact CG2-CG2 4.07Å; E647-T653 PolarHBondContact O-N 2.96Å; A648-T653 VanDerWaalsContact CA-O 3.29Å; A648-T653 WeakPolarHBondContact CA-O 3.4Å; A648-T653 WeakPolarHBondContact CB-O 3.41Å; A648-T653 PolarHBondContact N-O 3.08Å; D651-T653 PolarHBondContact O-N 2.98Å; D651-T653 PolarHBondContact O-OG1 2.85Å
654	Y	94.5	Very high	96.5	Very high	6 Å²	6	23.5 Å²	23.5	2%	0.024	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.2	-177.1	-61.1	-100.8	0	0	0	110.3	R603 I630 Y631 K633 L644 A648 H652	R603-Y654 HydrophobicContact CB-CD1 3.94Å; R603-Y654 HydrophobicContact CB-CE1 4.45Å; R603-Y654 HydrophobicContact CG-CD1 3.84Å; R603-Y654 HydrophobicContact CG-CG 4.11Å; I630-Y654 WeakPolarHBondContact CA-O 3.45Å; Y631-Y654 AromaticContact CD1-CD2 3.98Å; Y631-Y654 HydrophobicContact CD1-CD2 3.98Å; Y631-Y654 PolarHBondContact N-O 2.95Å; Y631-Y654 PolarHBondContact O-N 2.93Å; K633-Y654 HydrophobicContact CB-CE2 3.87Å; L644-Y654 HydrophobicContact CD2-CE1 3.71Å; A648-Y654 HydrophobicContact CB-CD1 4.17Å; A648-Y654 HydrophobicContact CB-CE1 4.01Å; H652-Y654 WeakPolarHBondContact O-CD2 3.44Å; H652-Y654 VanDerWaalsContact O-CE2 3.24Å; H652-Y654 WeakPolarHBondContact O-CE2 3.41Å
655	S	95.8	Very high	96.6	Very high	20 Å²	20	23 Å²	23	14%	0.14	11%	0.112	C	C	.	.			trans	-154.6	175.1	176.4	69	0	0	0	0	110.5	T601 K657 S658 D659	T601-S655 WeakPolarHBondContact CG2-O 3.2Å; S655-K657 PolarHBondContact O-N 2.93Å; S655-K657 VanDerWaalsContact O-N 3.07Å; S655-K657 WeakPolarHBondContact OG-CB 3.39Å; S655-K657 PolarHBondContact OG-N 3.33Å; S655-S658 PolarHBondContact N-OG 3.42Å; S655-S658 WeakPolarHBondContact O-CA 3.31Å; S655-S658 WeakPolarHBondContact O-CB 3.35Å; S655-S658 PolarHBondContact O-N 2.86Å; S655-S658 PolarHBondContact O-OG 2.88Å; S655-D659 PolarHBondContact O-N 2.89Å; S655-D659 VanDerWaalsContact O-N 3.16Å
656	T	95.6	Very high	96.6	Very high	27 Å²	27	23 Å²	23	17%	0.166	11%	0.112	C	C	.	.	H	α-helix	trans	-58.3	-23.3	173.5	65	0	0	0	0	112.3	E596 D659 M660	E596-T656 HydrophobicContact CB-CG2 4.09Å; E596-T656 HydrophobicContact CG-CG2 4.03Å; E596-T656 WeakPolarHBondContact OE1-CB 3.38Å; E596-T656 PolarHBondContact OE1-OG1 2.85Å; T656-D659 WeakPolarHBondContact O-CB 3.43Å; T656-D659 PolarHBondContact O-N 3.25Å; T656-M660 PolarHBondContact O-N 3.28Å
657	K	98.1	Very high	96.5	Very high	47 Å²	47	22.8 Å²	22.8	20%	0.204	11%	0.111	C	C	.	.	H	α-helix	trans	-73.8	-31	172.9	-60.4	-61.5	-171.7	168	0	113.6	S655 D659 M660 W661 P718 R721 P722	S655-K657 PolarHBondContact O-N 2.93Å; S655-K657 VanDerWaalsContact O-N 3.07Å; S655-K657 WeakPolarHBondContact OG-CB 3.39Å; S655-K657 PolarHBondContact OG-N 3.33Å; K657-D659 VanDerWaalsContact C-N 3.32Å; K657-M660 PolarHBondContact O-N 3.35Å; K657-W661 PolarHBondContact O-N 2.93Å; K657-P718 HydrophobicContact CB-CB 3.9Å; K657-P718 WeakPolarHBondContact CD-O 3.31Å; K657-P718 HydrophobicContact CG-CB 4.34Å; K657-R721 HydrophobicContact CD-CB 4.37Å; K657-R721 PolarHBondContact NZ-O 2.86Å; K657-R721 WeakPolarHBondContact O-CD 3.32Å; K657-R721 PolarHBondContact O-NH1 2.84Å; K657-P722 VanDerWaalsContact NZ-C 3.31Å; K657-P722 PolarHBondContact NZ-O 3.01Å
658	S	98.1	Very high	96.4	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-69.5	-33.1	168.6	68.6	0	0	0	0	111.3	S645 S655 W661 A662	S645-S658 WeakPolarHBondContact OG-CB 3.43Å; S655-S658 PolarHBondContact N-OG 3.42Å; S655-S658 WeakPolarHBondContact O-CA 3.31Å; S655-S658 WeakPolarHBondContact O-CB 3.35Å; S655-S658 PolarHBondContact O-N 2.86Å; S655-S658 PolarHBondContact O-OG 2.88Å; S658-W661 WeakPolarHBondContact O-CB 3.49Å; S658-W661 PolarHBondContact O-N 3.33Å; S658-A662 PolarHBondContact O-N 2.76Å
659	D	98.1	Very high	96.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	11%	0.11	C	C	.	.	H	α-helix	trans	-70.5	-32.4	172.5	-67.6	-30.6	0	0	0	112.3	M592 T601 H602 R603 S655 T656 K657 W661 A662 Y663 F724	M592-D659 HydrophobicContact CE-CB 3.63Å; T601-D659 WeakPolarHBondContact CA-OD2 3.26Å; T601-D659 WeakPolarHBondContact CG2-OD2 3.49Å; H602-D659 PolarHBondContact N-OD2 3.36Å; R603-D659 WeakPolarHBondContact CA-OD1 3.32Å; R603-D659 PolarHBondContact N-OD1 2.92Å; S655-D659 PolarHBondContact O-N 2.89Å; S655-D659 VanDerWaalsContact O-N 3.16Å; T656-D659 WeakPolarHBondContact O-CB 3.43Å; T656-D659 PolarHBondContact O-N 3.25Å; K657-D659 VanDerWaalsContact C-N 3.32Å; D659-W661 VanDerWaalsContact C-N 3.29Å; D659-W661 PolarHBondContact O-N 3Å; D659-A662 CarbonylContact O-C 3.53Å; D659-A662 WeakPolarHBondContact O-CB 3.35Å; D659-A662 PolarHBondContact O-N 2.93Å; D659-Y663 PolarHBondContact O-N 3.32Å; D659-F724 HydrophobicContact CB-CE2 4.09Å; D659-F724 HydrophobicContact CB-CZ 4.15Å
660	M	98.3	Very high	96.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-39.3	172.9	-179.9	56.7	68.9	0	0	111.6	T656 K657 Y663 G664 C713 R721 P722 S723 F724 M727	T656-M660 PolarHBondContact O-N 3.28Å; K657-M660 PolarHBondContact O-N 3.35Å; M660-Y663 WeakPolarHBondContact O-CB 3.25Å; M660-Y663 PolarHBondContact O-N 3.22Å; M660-Y663 HydrophobicContact SD-CD1 4.07Å; M660-G664 PolarHBondContact O-N 3.37Å; M660-G664 VanDerWaalsContact O-N 3.12Å; M660-C713 HydrophobicContact CG-CB 4.41Å; M660-C713 WeakPolarHBondContact O-CB 3.43Å; M660-C713 HydrophobicContact SD-CB 4.46Å; M660-C713 VanDerWaalsContact SD-SG 3.64Å; M660-R721 HydrophobicContact CG-CB 4.13Å; M660-P722 HydrophobicContact CE-CG 4.43Å; M660-P722 HydrophobicContact SD-CG 4.26Å; M660-S723 VanDerWaalsContact CE-C 3.48Å; M660-F724 HydrophobicContact CB-CE2 4.33Å; M660-F724 HydrophobicContact CB-CZ 4.26Å; M660-F724 HydrophobicContact CE-CB 4.19Å; M660-F724 HydrophobicContact CE-CD1 3.47Å; M660-F724 VanDerWaalsContact CE-CD1 3.47Å; M660-F724 HydrophobicContact CE-CD2 3.92Å; M660-F724 HydrophobicContact CE-CE1 3.72Å; M660-F724 HydrophobicContact CE-CE2 4.14Å; M660-F724 HydrophobicContact CE-CG 3.59Å; M660-F724 HydrophobicContact CE-CZ 4.05Å; M660-F724 HydrophobicContact SD-CD1 4.44Å; M660-F724 HydrophobicContact SD-CE1 4.18Å; M660-F724 HydrophobicContact SD-CZ 4.48Å; M660-M727 HydrophobicContact CE-CB 4.02Å; M660-M727 HydrophobicContact SD-CE 4.11Å
661	W	98.7	Very high	95.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-48.7	171.8	178.5	-73.5	0	0	0	111.6	L644 I646 K657 S658 D659 Y663 G664 V665 L690 C713 W714	L644-W661 PolarHBondContact O-NE1 3.45Å; I646-W661 HydrophobicContact CD1-CH2 3.99Å; I646-W661 HydrophobicContact CD1-CZ3 4.1Å; I646-W661 HydrophobicContact CG1-CH2 3.87Å; I646-W661 HydrophobicContact CG1-CZ3 4.1Å; K657-W661 PolarHBondContact O-N 2.93Å; S658-W661 WeakPolarHBondContact O-CB 3.49Å; S658-W661 PolarHBondContact O-N 3.33Å; D659-W661 VanDerWaalsContact C-N 3.29Å; D659-W661 PolarHBondContact O-N 3Å; W661-Y663 VanDerWaalsContact C-N 3.27Å; W661-Y663 PolarHBondContact O-N 3.46Å; W661-G664 WeakPolarHBondContact O-CA 3.48Å; W661-G664 PolarHBondContact O-N 2.95Å; W661-V665 PolarHBondContact O-N 2.8Å; W661-L690 HydrophobicContact CH2-CD1 4.22Å; W661-L690 HydrophobicContact CH2-CD2 4.04Å; W661-L690 HydrophobicContact CZ2-CD1 3.66Å; W661-L690 HydrophobicContact CZ2-CD2 3.74Å; W661-L690 HydrophobicContact CZ2-CG 4.24Å; W661-C713 WeakPolarHBondContact CA-O 3.43Å; W661-W714 HydrophobicContact CD2-CB 4.48Å; W661-W714 AromaticContact CD2-CD1 3.6Å; W661-W714 HydrophobicContact CD2-CG 4.38Å; W661-W714 AromaticContact CE2-CD1 3.74Å; W661-W714 HydrophobicContact CE3-CB 4.06Å; W661-W714 HydrophobicContact CE3-CG 4.43Å; W661-W714 AromaticContact CG-CD1 3.87Å; W661-W714 HydrophobicContact CH2-CB 4.08Å; W661-W714 HydrophobicContact CZ2-CB 4.49Å; W661-W714 HydrophobicContact CZ3-CB 3.85Å; W661-W714 WeakPolarHBondContact CZ3-O 3.49Å; W661-W714 PolarHBondContact O-NE1 2.8Å
662	A	98.5	Very high	95.7	Very high	5 Å²	5	13.7 Å²	13.7	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-60.4	-37.6	177.9	0	0	0	0	0	111.7	L605 W643 S658 D659 G664 V665 V666	L605-A662 HydrophobicContact CB-CB 4.07Å; W643-A662 HydrophobicContact CB-CB 4.42Å; W643-A662 WeakPolarHBondContact O-CA 3.49Å; W643-A662 WeakPolarHBondContact O-CB 3.26Å; S658-A662 PolarHBondContact O-N 2.76Å; D659-A662 CarbonylContact O-C 3.53Å; D659-A662 WeakPolarHBondContact O-CB 3.35Å; D659-A662 PolarHBondContact O-N 2.93Å; A662-G664 VanDerWaalsContact C-N 3.34Å; A662-G664 PolarHBondContact O-N 2.89Å; A662-V665 WeakPolarHBondContact O-CA 3.29Å; A662-V665 WeakPolarHBondContact O-CB 3.45Å; A662-V665 PolarHBondContact O-N 2.88Å; A662-V665 VanDerWaalsContact O-N 3.09Å; A662-V666 WeakPolarHBondContact O-CG2 2.95Å; A662-V666 PolarHBondContact O-N 3.34Å
663	Y	98.5	Very high	95.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.6	-42	172.6	176	-105.2	0	0	0	112	A585 I588 A589 L605 D659 M660 W661 V665 V666 L667 F724 M727	A585-Y663 PolarHBondContact O-OH 2.88Å; I588-Y663 HydrophobicContact CB-CD2 4.45Å; I588-Y663 HydrophobicContact CB-CE2 4.01Å; I588-Y663 HydrophobicContact CG2-CD2 3.76Å; I588-Y663 HydrophobicContact CG2-CE2 3.83Å; A589-Y663 HydrophobicContact CB-CE2 4.12Å; L605-Y663 HydrophobicContact CD2-CD2 4.43Å; D659-Y663 PolarHBondContact O-N 3.32Å; M660-Y663 WeakPolarHBondContact O-CB 3.25Å; M660-Y663 PolarHBondContact O-N 3.22Å; M660-Y663 HydrophobicContact SD-CD1 4.07Å; W661-Y663 VanDerWaalsContact C-N 3.27Å; W661-Y663 PolarHBondContact O-N 3.46Å; Y663-V665 VanDerWaalsContact C-N 3.28Å; Y663-V665 PolarHBondContact O-N 2.84Å; Y663-V666 CarbonylContact O-C 3.44Å; Y663-V666 WeakPolarHBondContact O-CA 3.21Å; Y663-V666 WeakPolarHBondContact O-CB 3.32Å; Y663-V666 PolarHBondContact O-N 2.82Å; Y663-L667 HydrophobicContact CD1-CD1 4.21Å; Y663-L667 HydrophobicContact CD1-CG 4.31Å; Y663-L667 HydrophobicContact CE1-CD1 3.7Å; Y663-L667 HydrophobicContact CE1-CD2 4.03Å; Y663-L667 HydrophobicContact CE1-CG 3.9Å; Y663-L667 HydrophobicContact CE2-CD2 4.15Å; Y663-L667 WeakPolarHBondContact O-CG 3.26Å; Y663-L667 PolarHBondContact O-N 3.45Å; Y663-F724 HydrophobicContact CD1-CE1 4.24Å; Y663-F724 HydrophobicContact CD2-CE1 4.23Å; Y663-F724 AromaticContact CG-CE1 3.81Å; Y663-F724 HydrophobicContact CG-CE1 3.81Å; Y663-M727 HydrophobicContact CD1-CG 4.21Å; Y663-M727 HydrophobicContact CE1-CG 3.5Å; Y663-M727 HydrophobicContact CE1-SD 4.05Å
664	G	98.2	Very high	95.3	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-56.7	-41.5	171.8	0	0	0	0	0	112.7	M660 W661 A662 L667 W668 W714	M660-G664 PolarHBondContact O-N 3.37Å; M660-G664 VanDerWaalsContact O-N 3.12Å; W661-G664 WeakPolarHBondContact O-CA 3.48Å; W661-G664 PolarHBondContact O-N 2.95Å; A662-G664 VanDerWaalsContact C-N 3.34Å; A662-G664 PolarHBondContact O-N 2.89Å; G664-L667 WeakPolarHBondContact O-CB 3.07Å; G664-L667 PolarHBondContact O-N 2.81Å; G664-W668 PolarHBondContact O-N 3.02Å; G664-W668 VanDerWaalsContact O-N 3.13Å; G664-W714 VanDerWaalsContact O-CZ2 3.25Å; G664-W714 WeakPolarHBondContact O-CZ2 3.26Å
665	V	98.3	Very high	95	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.7	-39.6	174.1	-177.2	0	0	0	0	111.2	W643 W661 A662 Y663 L667 W668 E669 P677 L696 W714	W643-V665 HydrophobicContact CG-CG1 4.15Å; W661-V665 PolarHBondContact O-N 2.8Å; A662-V665 WeakPolarHBondContact O-CA 3.29Å; A662-V665 WeakPolarHBondContact O-CB 3.45Å; A662-V665 PolarHBondContact O-N 2.88Å; A662-V665 VanDerWaalsContact O-N 3.09Å; Y663-V665 VanDerWaalsContact C-N 3.28Å; Y663-V665 PolarHBondContact O-N 2.84Å; V665-L667 PolarHBondContact O-N 2.84Å; V665-W668 CarbonylContact O-C 3.59Å; V665-W668 WeakPolarHBondContact O-CA 3.42Å; V665-W668 WeakPolarHBondContact O-CB 3.37Å; V665-W668 PolarHBondContact O-N 3.24Å; V665-W668 VanDerWaalsContact O-N 3.14Å; V665-E669 WeakPolarHBondContact O-CG 3.44Å; V665-E669 PolarHBondContact O-N 3.14Å; V665-P677 HydrophobicContact CG1-CB 3.82Å; V665-P677 HydrophobicContact CG1-CG 3.49Å; V665-P677 VanDerWaalsContact CG1-CG 3.49Å; V665-L696 HydrophobicContact CG1-CD1 4.4Å; V665-L696 HydrophobicContact CG2-CD1 4.41Å; V665-W714 HydrophobicContact CG2-CZ2 4.43Å
666	V	97.7	Very high	94.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.7	-38.8	175.1	174.4	0	0	0	0	112	I588 L605 A662 Y663 W668 E669 I670	I588-V666 HydrophobicContact CD1-CG1 3.77Å; L605-V666 HydrophobicContact CG-CG2 4.25Å; A662-V666 WeakPolarHBondContact O-CG2 2.95Å; A662-V666 PolarHBondContact O-N 3.34Å; Y663-V666 CarbonylContact O-C 3.44Å; Y663-V666 WeakPolarHBondContact O-CA 3.21Å; Y663-V666 WeakPolarHBondContact O-CB 3.32Å; Y663-V666 PolarHBondContact O-N 2.82Å; V666-W668 VanDerWaalsContact C-N 3.27Å; V666-W668 PolarHBondContact O-N 2.85Å; V666-E669 WeakPolarHBondContact O-CB 3.4Å; V666-E669 PolarHBondContact O-N 3.49Å; V666-I670 HydrophobicContact CG1-CD1 4.13Å; V666-I670 VanDerWaalsContact O-CG1 3.3Å; V666-I670 WeakPolarHBondContact O-CG1 3.32Å; V666-I670 PolarHBondContact O-N 2.79Å
667	L	95.7	Very high	94.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.1	-42.3	172.3	-64.3	-178.6	0	0	0	111.1	A585 Y663 G664 V665 I670 C671 M710 Y741	A585-L667 HydrophobicContact CB-CD2 3.31Å; Y663-L667 HydrophobicContact CD1-CD1 4.21Å; Y663-L667 HydrophobicContact CD1-CG 4.31Å; Y663-L667 HydrophobicContact CE1-CD1 3.7Å; Y663-L667 HydrophobicContact CE1-CD2 4.03Å; Y663-L667 HydrophobicContact CE1-CG 3.9Å; Y663-L667 HydrophobicContact CE2-CD2 4.15Å; Y663-L667 WeakPolarHBondContact O-CG 3.26Å; Y663-L667 PolarHBondContact O-N 3.45Å; G664-L667 WeakPolarHBondContact O-CB 3.07Å; G664-L667 PolarHBondContact O-N 2.81Å; V665-L667 PolarHBondContact O-N 2.84Å; L667-I670 PolarHBondContact O-N 2.83Å; L667-C671 PolarHBondContact O-N 3.18Å; L667-C671 PolarHBondContact O-SG 2.97Å; L667-M710 HydrophobicContact CB-CE 3.82Å; L667-M710 HydrophobicContact CB-CG 3.99Å; L667-M710 HydrophobicContact CB-SD 4.35Å; L667-M710 HydrophobicContact CD1-CG 4.12Å; L667-Y741 PolarHBondContact O-OH 2.87Å
668	W	95.5	Very high	94.6	Very high	6 Å²	6	9.7 Å²	9.7	2%	0.023	5%	0.052	C	C	.	.	H	α-helix	trans	-64.5	-41.1	174.9	-171.6	98.2	0	0	0	112.3	G664 V665 V666 I670 C671 T672 P677 L696 E697 P699 M710 W714	G664-W668 PolarHBondContact O-N 3.02Å; G664-W668 VanDerWaalsContact O-N 3.13Å; V665-W668 CarbonylContact O-C 3.59Å; V665-W668 WeakPolarHBondContact O-CA 3.42Å; V665-W668 WeakPolarHBondContact O-CB 3.37Å; V665-W668 PolarHBondContact O-N 3.24Å; V665-W668 VanDerWaalsContact O-N 3.14Å; V666-W668 VanDerWaalsContact C-N 3.27Å; V666-W668 PolarHBondContact O-N 2.85Å; W668-I670 VanDerWaalsContact C-N 3.29Å; W668-I670 PolarHBondContact O-N 2.8Å; W668-C671 PolarHBondContact O-N 3.34Å; W668-T672 HydrophobicContact CD2-CG2 3.85Å; W668-T672 HydrophobicContact CE3-CG2 3.98Å; W668-T672 HydrophobicContact CH2-CG2 3.78Å; W668-T672 HydrophobicContact CZ2-CG2 3.63Å; W668-T672 HydrophobicContact CZ3-CG2 3.95Å; W668-T672 WeakPolarHBondContact O-CB 3.35Å; W668-T672 WeakPolarHBondContact O-CG2 3.28Å; W668-T672 PolarHBondContact O-N 3.44Å; W668-T672 PolarHBondContact O-OG1 2.86Å; W668-P677 HydrophobicContact CE3-CG 4.33Å; W668-P677 HydrophobicContact CZ3-CB 4.47Å; W668-P677 HydrophobicContact CZ3-CG 4.29Å; W668-L696 HydrophobicContact CB-CD1 3.97Å; W668-L696 HydrophobicContact CD2-CD1 3.92Å; W668-L696 HydrophobicContact CD2-CD2 4.35Å; W668-L696 HydrophobicContact CE3-CD1 4.41Å; W668-L696 HydrophobicContact CG-CB 4.31Å; W668-L696 HydrophobicContact CG-CD1 3.71Å; W668-L696 HydrophobicContact CG-CG 4.45Å; W668-L696 HydrophobicContact CZ2-CD2 4.25Å; W668-E697 PolarHBondContact NE1-O 2.83Å; W668-P699 HydrophobicContact CG-CG 4.35Å; W668-M710 HydrophobicContact CB-CE 4.49Å; W668-M710 HydrophobicContact CB-SD 4.04Å; W668-W714 HydrophobicContact CB-CH2 4.28Å; W668-W714 HydrophobicContact CB-CZ2 4.39Å
669	E	95.3	Very high	94.3	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	7%	0.069	C	C	.	.	H	α-helix	trans	-59.2	-39.3	173.1	-69.8	-177.3	99.8	0	0	111.6	A607 W643 V665 V666 T672 L673 G674 P677	A607-E669 HydrophobicContact CB-CB 4.15Å; A607-E669 PolarHBondContact N-OE2 2.81Å; W643-E669 WeakPolarHBondContact CZ2-OE1 3.41Å; W643-E669 PolarHBondContact NE1-OE2 3.12Å; V665-E669 WeakPolarHBondContact O-CG 3.44Å; V665-E669 PolarHBondContact O-N 3.14Å; V666-E669 WeakPolarHBondContact O-CB 3.4Å; V666-E669 PolarHBondContact O-N 3.49Å; E669-T672 PolarHBondContact O-OG1 3Å; E669-L673 PolarHBondContact O-N 2.89Å; E669-G674 PolarHBondContact O-N 2.87Å; E669-P677 HydrophobicContact CG-CG 4.18Å
670	I	92.3	Very high	94	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-49	176.5	-65.9	166.2	0	0	0	110.5	L512 L516 L581 F584 A585 I588 V666 L667 W668 T672 L673 Y741	L512-I670 HydrophobicContact CD2-CG1 4.34Å; L516-I670 HydrophobicContact CD1-CG1 4.23Å; L581-I670 HydrophobicContact CB-CG2 4Å; L581-I670 HydrophobicContact CD2-CG2 3.63Å; L581-I670 HydrophobicContact CG-CG2 4.37Å; F584-I670 HydrophobicContact CB-CD1 4.16Å; A585-I670 HydrophobicContact CB-CD1 4.39Å; I588-I670 HydrophobicContact CD1-CD1 4.08Å; V666-I670 HydrophobicContact CG1-CD1 4.13Å; V666-I670 VanDerWaalsContact O-CG1 3.3Å; V666-I670 WeakPolarHBondContact O-CG1 3.32Å; V666-I670 PolarHBondContact O-N 2.79Å; L667-I670 PolarHBondContact O-N 2.83Å; W668-I670 VanDerWaalsContact C-N 3.29Å; W668-I670 PolarHBondContact O-N 2.8Å; I670-T672 VanDerWaalsContact C-N 3.28Å; I670-T672 PolarHBondContact O-N 2.98Å; I670-L673 PolarHBondContact O-N 3.23Å; I670-L673 VanDerWaalsContact O-N 3.13Å; I670-Y741 HydrophobicContact CB-CE1 4.43Å; I670-Y741 HydrophobicContact CG2-CE1 3.68Å
671	C	87.9	Confident	93.8	Very high	2 Å²	2	18 Å²	18	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-33.7	179.2	-72	0	0	0	0	113.2	L667 W668 L673 P699 C701 C702 M710 Y741 V742	L667-C671 PolarHBondContact O-N 3.18Å; L667-C671 PolarHBondContact O-SG 2.97Å; W668-C671 PolarHBondContact O-N 3.34Å; C671-L673 VanDerWaalsContact C-N 3.32Å; C671-P699 HydrophobicContact CB-CB 4.13Å; C671-P699 HydrophobicContact CB-CG 3.84Å; C671-C701 PolarHBondContact O-SG 3.38Å; C671-C702 HydrophobicContact CB-CB 4.25Å; C671-C702 VanDerWaalsContact SG-SG 3.64Å; C671-M710 HydrophobicContact CB-CE 4.25Å; C671-M710 WeakPolarHBondContact SG-CE 3.28Å; C671-Y741 WeakPolarHBondContact SG-CE1 3.2Å; C671-V742 HydrophobicContact CB-CG2 4.5Å
672	T	88.2	Confident	93.5	Very high	27 Å²	27	21.3 Å²	21.3	17%	0.166	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	4.6	179.1	57.3	0	0	0	0	113.7	W668 E669 I670 G674 G675 P699	W668-T672 HydrophobicContact CD2-CG2 3.85Å; W668-T672 HydrophobicContact CE3-CG2 3.98Å; W668-T672 HydrophobicContact CH2-CG2 3.78Å; W668-T672 HydrophobicContact CZ2-CG2 3.63Å; W668-T672 HydrophobicContact CZ3-CG2 3.95Å; W668-T672 WeakPolarHBondContact O-CB 3.35Å; W668-T672 WeakPolarHBondContact O-CG2 3.28Å; W668-T672 PolarHBondContact O-N 3.44Å; W668-T672 PolarHBondContact O-OG1 2.86Å; E669-T672 PolarHBondContact O-OG1 3Å; I670-T672 VanDerWaalsContact C-N 3.28Å; I670-T672 PolarHBondContact O-N 2.98Å; T672-G674 VanDerWaalsContact C-N 3.28Å; T672-G674 PolarHBondContact O-N 3.38Å; T672-G675 WeakPolarHBondContact OG1-CA 3.48Å; T672-G675 PolarHBondContact OG1-N 2.01Å; T672-P699 HydrophobicContact CG2-CB 4.01Å; T672-P699 HydrophobicContact CG2-CG 3.8Å
673	L	88.4	Confident	93.1	Very high	13 Å²	13	25.5 Å²	25.5	7%	0.068	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	46.9	-175.1	-57.3	175.7	0	0	0	112.5	L516 V519 R520 L581 E669 I670 C671	L516-L673 CarbonylContact C-O 3.36Å; L516-L673 HydrophobicContact CD2-CD2 4.04Å; V519-L673 HydrophobicContact CG1-CD1 4.37Å; V519-L673 HydrophobicContact CG1-CD2 4.28Å; R520-L673 HydrophobicContact CB-CB 3.9Å; R520-L673 HydrophobicContact CB-CD1 4.36Å; L581-L673 HydrophobicContact CD1-CD2 4.46Å; L581-L673 HydrophobicContact CD2-CD2 4.07Å; E669-L673 PolarHBondContact O-N 2.89Å; I670-L673 PolarHBondContact O-N 3.23Å; I670-L673 VanDerWaalsContact O-N 3.13Å; C671-L673 VanDerWaalsContact C-N 3.32Å
674	G	89.1	Confident	92.8	Very high	6 Å²	6	35.3 Å²	35.3	6%	0.062	19%	0.186	C	C	.	.	S	Bend	trans	89.6	33.6	176.9	0	0	0	0	0	114.3	K517 E669 T672	K517-G674 VanDerWaalsContact CE-O 3.24Å; K517-G674 WeakPolarHBondContact CE-O 3.32Å; E669-G674 PolarHBondContact O-N 2.87Å; T672-G674 VanDerWaalsContact C-N 3.28Å; T672-G674 PolarHBondContact O-N 3.38Å
675	G	88.9	Confident	92.7	Very high	11 Å²	11	40.4 Å²	40.4	11%	0.113	21%	0.21	C	C	.	.			trans	-60.3	159.8	169.8	0	0	0	0	0	112.3	T672	T672-G675 WeakPolarHBondContact OG1-CA 3.48Å; T672-G675 PolarHBondContact OG1-N 2.01Å
676	F	92	Very high	92.6	Very high	118 Å²	118	40.4 Å²	40.4	52%	0.518	21%	0.21	S	C	.	.			trans	-95.8	115.4	177.6	-173.8	-110.9	0	0	0	110	R642 W643 Y678 S679	R642-F676 VanDerWaalsContact CD-CZ 3.43Å; W643-F676 HydrophobicContact CH2-CE2 4.44Å; F676-Y678 PolarHBondContact O-N 3.43Å; F676-S679 PolarHBondContact O-N 2.98Å
677	P	94.6	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	137.1	-172.4	-23.9	33.4	0	0	0	113.2	R642 W643 V665 W668 E669 S679 L696	R642-P677 HydrophobicContact CB-CB 4.39Å; R642-P677 WeakPolarHBondContact CD-O 3.22Å; R642-P677 PolarHBondContact NH1-O 3.04Å; W643-P677 HydrophobicContact CZ2-CG 4.02Å; V665-P677 HydrophobicContact CG1-CB 3.82Å; V665-P677 HydrophobicContact CG1-CG 3.49Å; V665-P677 VanDerWaalsContact CG1-CG 3.49Å; W668-P677 HydrophobicContact CE3-CG 4.33Å; W668-P677 HydrophobicContact CZ3-CB 4.47Å; W668-P677 HydrophobicContact CZ3-CG 4.29Å; E669-P677 HydrophobicContact CG-CG 4.18Å; P677-S679 PolarHBondContact O-N 2.8Å; P677-L696 HydrophobicContact CB-CD1 4.3Å; P677-L696 HydrophobicContact CB-CD2 4.27Å
678	Y	95.1	Very high	92.6	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.02	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	32.7	179.1	-55.4	-79.8	0	0	0	113.3	R642 F676 N680 V681 Y689 L690 L696	R642-Y678 PolarHBondContact NH1-O 2.97Å; F676-Y678 PolarHBondContact O-N 3.43Å; Y678-N680 PolarHBondContact O-N 2.85Å; Y678-V681 HydrophobicContact CD1-CG2 4.5Å; Y678-V681 PolarHBondContact O-N 2.85Å; Y678-Y689 HydrophobicContact CD1-CD1 4.42Å; Y678-Y689 HydrophobicContact CD1-CE1 4.19Å; Y678-Y689 HydrophobicContact CE1-CD1 4.32Å; Y678-Y689 HydrophobicContact CE1-CE1 4.09Å; Y678-L690 HydrophobicContact CE1-CD2 4Å; Y678-L690 WeakPolarHBondContact OH-CD2 3.19Å; Y678-L696 HydrophobicContact CD1-CD2 3.66Å; Y678-L696 HydrophobicContact CD1-CG 4.1Å; Y678-L696 HydrophobicContact CD2-CD2 3.88Å; Y678-L696 HydrophobicContact CD2-CG 4.25Å; Y678-L696 HydrophobicContact CE1-CB 4.43Å; Y678-L696 HydrophobicContact CE1-CD2 3.78Å; Y678-L696 HydrophobicContact CE1-CG 3.66Å; Y678-L696 HydrophobicContact CE2-CD1 4.09Å; Y678-L696 HydrophobicContact CE2-CD2 3.99Å; Y678-L696 HydrophobicContact CE2-CG 3.81Å; Y678-L696 HydrophobicContact CG-CD2 3.71Å; Y678-L696 HydrophobicContact CG-CG 4.37Å; Y678-L696 VanDerWaalsContact CZ-CG 3.49Å; Y678-L696 VanDerWaalsContact N-CD2 3.27Å
679	S	91.9	Very high	92.7	Very high	57 Å²	57	50.9 Å²	50.9	40%	0.399	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	-32.8	-175	52.3	0	0	0	0	114.5	F676 P677	F676-S679 PolarHBondContact O-N 2.98Å; P677-S679 PolarHBondContact O-N 2.8Å
680	N	91.6	Very high	92.8	Very high	118 Å²	118	50.8 Å²	50.8	63%	0.631	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-4	179.9	61.5	-19.6	0	0	0	115.4	Y678	Y678-N680 PolarHBondContact O-N 2.85Å
681	V	93.1	Very high	93	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.055	28%	0.277	C	S	.	.	S	Bend	trans	-107.6	124.3	179.7	-173.2	0	0	0	0	110.1	R642 Y678 E685 I686 Y689	R642-V681 PolarHBondContact NH2-O 2.85Å; Y678-V681 HydrophobicContact CD1-CG2 4.5Å; Y678-V681 PolarHBondContact O-N 2.85Å; V681-E685 HydrophobicContact CG1-CB 4.25Å; V681-I686 HydrophobicContact CG1-CG1 4.01Å; V681-Y689 HydrophobicContact CG1-CD2 4.26Å; V681-Y689 HydrophobicContact CG1-CG 4.25Å; V681-Y689 HydrophobicContact CG2-CD1 4.45Å; V681-Y689 HydrophobicContact CG2-CD2 3.85Å; V681-Y689 HydrophobicContact CG2-CE1 4.44Å; V681-Y689 HydrophobicContact CG2-CE2 3.84Å; V681-Y689 HydrophobicContact CG2-CG 4.17Å
682	P	92.8	Very high	93.5	Very high	68 Å²	68	57.4 Å²	57.4	44%	0.442	30%	0.3	S	S	.	.			trans	-61.7	142.9	174	-22.4	33.3	0	0	0	112.5	K684 E685 I686	P682-K684 PolarHBondContact O-N 3.11Å; P682-K684 VanDerWaalsContact O-N 3.08Å; P682-E685 HydrophobicContact CB-CG 4.48Å; P682-E685 PolarHBondContact O-N 3.15Å; P682-I686 PolarHBondContact O-N 2.69Å
683	D	91	Very high	93.8	Very high	94 Å²	94	58.5 Å²	58.5	50%	0.503	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-51.6	-39.4	-176.4	-77.2	-1.9	0	0	0	113.7	L641 R642 E685	L641-D683 HydrophobicContact CD2-CB 3.78Å; L641-D683 WeakPolarHBondContact CD2-O 3.15Å; R642-D683 IonicContact CZ-OD1 3.79Å; R642-D683 VanDerWaalsContact CZ-OD1 3.26Å; R642-D683 IonicContact NE-OD1 2.68Å; R642-D683 PolarHBondContact NE-OD1 2.84Å; R642-D683 IonicContact NH2-OD1 2.62Å; R642-D683 PolarHBondContact NH2-OD1 2.98Å; D683-E685 PolarHBondContact O-N 2.95Å
684	K	91.5	Very high	94.2	Very high	205 Å²	205	63.3 Å²	63.3	89%	0.891	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-69.7	-18.4	-178.7	-65.6	-177.7	-179.9	178.8	0	114	P682	P682-K684 PolarHBondContact O-N 3.11Å; P682-K684 VanDerWaalsContact O-N 3.08Å
685	E	95.8	Very high	94.6	Very high	107 Å²	107	64.7 Å²	64.7	50%	0.5	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-102.6	-8.5	-174.9	-66.5	176.4	-164.1	0	0	112.5	V681 P682 D683 L687 L688 Y689	V681-E685 HydrophobicContact CG1-CB 4.25Å; P682-E685 HydrophobicContact CB-CG 4.48Å; P682-E685 PolarHBondContact O-N 3.15Å; D683-E685 PolarHBondContact O-N 2.95Å; E685-L687 VanDerWaalsContact C-N 3.34Å; E685-L687 PolarHBondContact O-N 3.22Å; E685-L688 PolarHBondContact O-N 2.64Å; E685-Y689 WeakPolarHBondContact O-CB 3.46Å; E685-Y689 PolarHBondContact O-N 2.8Å
686	I	95.9	Very high	95	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-56	-46	-175.3	-67.3	178	0	0	0	111.7	L641 R642 M649 V681 P682 L688 Y689 L690	L641-I686 HydrophobicContact CD2-CD1 3.95Å; L641-I686 HydrophobicContact CG-CD1 4.1Å; R642-I686 HydrophobicContact CG-CD1 3.54Å; M649-I686 HydrophobicContact CE-CG2 3.69Å; M649-I686 HydrophobicContact SD-CG2 3.94Å; V681-I686 HydrophobicContact CG1-CG1 4.01Å; P682-I686 PolarHBondContact O-N 2.69Å; I686-L688 PolarHBondContact O-N 2.89Å; I686-Y689 WeakPolarHBondContact O-CB 2.88Å; I686-Y689 PolarHBondContact O-N 2.86Å; I686-L690 HydrophobicContact CG2-CD1 3.98Å; I686-L690 HydrophobicContact CG2-CG 4.38Å; I686-L690 VanDerWaalsContact O-CG 3.29Å; I686-L690 WeakPolarHBondContact O-CG 3.41Å; I686-L690 PolarHBondContact O-N 2.68Å
687	L	96.6	Very high	95.1	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.246	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-49	-180	178.3	58.6	0	0	0	111.4	I646 M649 R650 E685 Y689 L690 E691	I646-L687 HydrophobicContact CG2-CD1 4.06Å; M649-L687 HydrophobicContact CB-CD1 4.08Å; M649-L687 HydrophobicContact SD-CB 4.42Å; R650-L687 HydrophobicContact CB-CD1 4.29Å; R650-L687 HydrophobicContact CB-CD2 4.17Å; R650-L687 HydrophobicContact CG-CD2 4.47Å; E685-L687 VanDerWaalsContact C-N 3.34Å; E685-L687 PolarHBondContact O-N 3.22Å; L687-Y689 VanDerWaalsContact C-N 3.29Å; L687-Y689 PolarHBondContact O-N 2.86Å; L687-L690 PolarHBondContact O-N 3.07Å; L687-L690 VanDerWaalsContact O-N 3.16Å; L687-E691 HydrophobicContact CD1-CG 3.97Å; L687-E691 HydrophobicContact CG-CG 4.37Å; L687-E691 WeakPolarHBondContact O-CB 3.36Å; L687-E691 WeakPolarHBondContact O-CG 3.49Å; L687-E691 PolarHBondContact O-N 2.88Å
688	L	97	Very high	95	Very high	119 Å²	119	66.3 Å²	66.3	62%	0.623	35%	0.345	S	S	*	.	H	α-helix	trans	-60.7	-39	177.6	-71.8	167.4	0	0	0	112.1	E685 I686 L690 S692	E685-L688 PolarHBondContact O-N 2.64Å; I686-L688 PolarHBondContact O-N 2.89Å; L688-L690 VanDerWaalsContact C-N 3.35Å; L688-S692 WeakPolarHBondContact O-CB 3.2Å; L688-S692 PolarHBondContact O-N 2.87Å
689	Y	97.7	Very high	94.6	Very high	60 Å²	60	66.6 Å²	66.6	24%	0.235	35%	0.348	C	S	.	.	H	α-helix	trans	-61.6	-42.9	176.4	-173.9	-86.2	0	0	0	111.6	Y678 V681 E685 I686 L687 S692 K694	Y678-Y689 HydrophobicContact CD1-CD1 4.42Å; Y678-Y689 HydrophobicContact CD1-CE1 4.19Å; Y678-Y689 HydrophobicContact CE1-CD1 4.32Å; Y678-Y689 HydrophobicContact CE1-CE1 4.09Å; V681-Y689 HydrophobicContact CG1-CD2 4.26Å; V681-Y689 HydrophobicContact CG1-CG 4.25Å; V681-Y689 HydrophobicContact CG2-CD1 4.45Å; V681-Y689 HydrophobicContact CG2-CD2 3.85Å; V681-Y689 HydrophobicContact CG2-CE1 4.44Å; V681-Y689 HydrophobicContact CG2-CE2 3.84Å; V681-Y689 HydrophobicContact CG2-CG 4.17Å; E685-Y689 WeakPolarHBondContact O-CB 3.46Å; E685-Y689 PolarHBondContact O-N 2.8Å; I686-Y689 WeakPolarHBondContact O-CB 2.88Å; I686-Y689 PolarHBondContact O-N 2.86Å; L687-Y689 VanDerWaalsContact C-N 3.29Å; L687-Y689 PolarHBondContact O-N 2.86Å; Y689-S692 PolarHBondContact O-OG 2.96Å; Y689-S692 VanDerWaalsContact O-OG 3.05Å; Y689-K694 HydrophobicContact CD1-CB 3.74Å; Y689-K694 HydrophobicContact CD2-CB 4.45Å; Y689-K694 HydrophobicContact CD2-CD 3.88Å; Y689-K694 HydrophobicContact CE1-CB 3.32Å; Y689-K694 HydrophobicContact CE1-CD 4.29Å; Y689-K694 HydrophobicContact CE1-CG 4.45Å; Y689-K694 HydrophobicContact CE2-CB 4.1Å; Y689-K694 HydrophobicContact CE2-CD 3.46Å; Y689-K694 VanDerWaalsContact CE2-CD 3.46Å; Y689-K694 HydrophobicContact CE2-CG 4.45Å; Y689-K694 HydrophobicContact CG-CB 4.28Å; Y689-K694 HydrophobicContact CG-CD 4.43Å; Y689-K694 WeakPolarHBondContact O-CB 3.39Å; Y689-K694 PolarHBondContact O-N 2.84Å
690	L	97.8	Very high	93.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-73	-41	179	-64.7	176.5	0	0	0	112.5	I646 M649 W661 Y678 I686 L687 L688 S692 G693 R695	I646-L690 HydrophobicContact CD1-CB 4.08Å; I646-L690 HydrophobicContact CG1-CB 3.87Å; I646-L690 HydrophobicContact CG1-CD1 4.34Å; M649-L690 HydrophobicContact CE-CD1 3.49Å; M649-L690 VanDerWaalsContact CE-CD1 3.49Å; M649-L690 HydrophobicContact SD-CD1 4.37Å; W661-L690 HydrophobicContact CH2-CD1 4.22Å; W661-L690 HydrophobicContact CH2-CD2 4.04Å; W661-L690 HydrophobicContact CZ2-CD1 3.66Å; W661-L690 HydrophobicContact CZ2-CD2 3.74Å; W661-L690 HydrophobicContact CZ2-CG 4.24Å; Y678-L690 HydrophobicContact CE1-CD2 4Å; Y678-L690 WeakPolarHBondContact OH-CD2 3.19Å; I686-L690 HydrophobicContact CG2-CD1 3.98Å; I686-L690 HydrophobicContact CG2-CG 4.38Å; I686-L690 VanDerWaalsContact O-CG 3.29Å; I686-L690 WeakPolarHBondContact O-CG 3.41Å; I686-L690 PolarHBondContact O-N 2.68Å; L687-L690 PolarHBondContact O-N 3.07Å; L687-L690 VanDerWaalsContact O-N 3.16Å; L688-L690 VanDerWaalsContact C-N 3.35Å; L690-S692 PolarHBondContact O-N 2.84Å; L690-G693 PolarHBondContact O-N 2.84Å; L690-R695 PolarHBondContact O-NH1 2.69Å
691	E	96.9	Very high	92.7	Very high	69 Å²	69	64.4 Å²	64.4	32%	0.322	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-25.3	176.1	-72.6	-178.9	147.2	0	0	112.1	I646 R650 L687 G693	I646-E691 HydrophobicContact CG2-CG 4.06Å; R650-E691 WeakPolarHBondContact CD-OE1 3.3Å; R650-E691 IonicContact NH1-OE1 3.26Å; L687-E691 HydrophobicContact CD1-CG 3.97Å; L687-E691 HydrophobicContact CG-CG 4.37Å; L687-E691 WeakPolarHBondContact O-CB 3.36Å; L687-E691 WeakPolarHBondContact O-CG 3.49Å; L687-E691 PolarHBondContact O-N 2.88Å; E691-G693 PolarHBondContact O-N 2.81Å; E691-G693 VanDerWaalsContact O-N 3.14Å
692	S	96.9	Very high	92.1	Very high	72 Å²	72	64.1 Å²	64.1	50%	0.503	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	9.2	172	90.2	0	0	0	0	113.8	L688 Y689 L690 K694	L688-S692 WeakPolarHBondContact O-CB 3.2Å; L688-S692 PolarHBondContact O-N 2.87Å; Y689-S692 PolarHBondContact O-OG 2.96Å; Y689-S692 VanDerWaalsContact O-OG 3.05Å; L690-S692 PolarHBondContact O-N 2.84Å; S692-K694 VanDerWaalsContact C-N 3.29Å; S692-K694 PolarHBondContact O-N 3.11Å; S692-K694 WeakPolarHBondContact OG-CG 3.36Å
693	G	96.2	Very high	91.5	Very high	50 Å²	50	62.2 Å²	62.2	52%	0.515	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	0.2	-178.6	0	0	0	0	0	115.2	L690 E691	L690-G693 PolarHBondContact O-N 2.84Å; E691-G693 PolarHBondContact O-N 2.81Å; E691-G693 VanDerWaalsContact O-N 3.14Å
694	K	96.9	Very high	91.3	Very high	114 Å²	114	62.6 Å²	62.6	50%	0.496	33%	0.326	S	S	.	.			trans	-78.5	150.6	178.3	-61.4	176.3	-177.6	-179.7	0	110.7	Y689 S692	Y689-K694 HydrophobicContact CD1-CB 3.74Å; Y689-K694 HydrophobicContact CD2-CB 4.45Å; Y689-K694 HydrophobicContact CD2-CD 3.88Å; Y689-K694 HydrophobicContact CE1-CB 3.32Å; Y689-K694 HydrophobicContact CE1-CD 4.29Å; Y689-K694 HydrophobicContact CE1-CG 4.45Å; Y689-K694 HydrophobicContact CE2-CB 4.1Å; Y689-K694 HydrophobicContact CE2-CD 3.46Å; Y689-K694 VanDerWaalsContact CE2-CD 3.46Å; Y689-K694 HydrophobicContact CE2-CG 4.45Å; Y689-K694 HydrophobicContact CG-CB 4.28Å; Y689-K694 HydrophobicContact CG-CD 4.43Å; Y689-K694 WeakPolarHBondContact O-CB 3.39Å; Y689-K694 PolarHBondContact O-N 2.84Å; S692-K694 VanDerWaalsContact C-N 3.29Å; S692-K694 PolarHBondContact O-N 3.11Å; S692-K694 WeakPolarHBondContact OG-CG 3.36Å
695	R	97.5	Very high	91	Very high	35 Å²	35	54 Å²	54	13%	0.132	29%	0.293	C	S	.	.			trans	-135.3	177	-179.3	-60.6	-61.5	-178.5	-94.2	1.4	110.2	L690 L711 W714	L690-R695 PolarHBondContact O-NH1 2.69Å; R695-L711 HydrophobicContact CB-CD2 4.47Å; R695-L711 HydrophobicContact CG-CD2 4.44Å; R695-W714 HydrophobicContact CB-CE3 3.98Å; R695-W714 HydrophobicContact CB-CZ3 4.44Å; R695-W714 HydrophobicContact CG-CB 4.34Å; R695-W714 HydrophobicContact CG-CE3 4.37Å; R695-W714 PolarHBondContact NE-O 3.09Å; R695-W714 PolarHBondContact NH2-O 2.94Å
696	L	96.6	Very high	90.7	Very high	6 Å²	6	49 Å²	49	3%	0.031	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-57.1	138.4	169	-75.3	165.5	0	0	0	109.9	V665 W668 P677 Y678 Y707 W714	V665-L696 HydrophobicContact CG1-CD1 4.4Å; V665-L696 HydrophobicContact CG2-CD1 4.41Å; W668-L696 HydrophobicContact CB-CD1 3.97Å; W668-L696 HydrophobicContact CD2-CD1 3.92Å; W668-L696 HydrophobicContact CD2-CD2 4.35Å; W668-L696 HydrophobicContact CE3-CD1 4.41Å; W668-L696 HydrophobicContact CG-CB 4.31Å; W668-L696 HydrophobicContact CG-CD1 3.71Å; W668-L696 HydrophobicContact CG-CG 4.45Å; W668-L696 HydrophobicContact CZ2-CD2 4.25Å; P677-L696 HydrophobicContact CB-CD1 4.3Å; P677-L696 HydrophobicContact CB-CD2 4.27Å; Y678-L696 HydrophobicContact CD1-CD2 3.66Å; Y678-L696 HydrophobicContact CD1-CG 4.1Å; Y678-L696 HydrophobicContact CD2-CD2 3.88Å; Y678-L696 HydrophobicContact CD2-CG 4.25Å; Y678-L696 HydrophobicContact CE1-CB 4.43Å; Y678-L696 HydrophobicContact CE1-CD2 3.78Å; Y678-L696 HydrophobicContact CE1-CG 3.66Å; Y678-L696 HydrophobicContact CE2-CD1 4.09Å; Y678-L696 HydrophobicContact CE2-CD2 3.99Å; Y678-L696 HydrophobicContact CE2-CG 3.81Å; Y678-L696 HydrophobicContact CG-CD2 3.71Å; Y678-L696 HydrophobicContact CG-CG 4.37Å; Y678-L696 VanDerWaalsContact CZ-CG 3.49Å; Y678-L696 VanDerWaalsContact N-CD2 3.27Å; L696-Y707 PolarHBondContact O-OH 3.2Å; L696-W714 HydrophobicContact CB-CH2 3.69Å; L696-W714 HydrophobicContact CB-CZ2 4.37Å; L696-W714 HydrophobicContact CB-CZ3 4Å; L696-W714 HydrophobicContact CD1-CH2 3.85Å; L696-W714 HydrophobicContact CD1-CZ2 3.73Å; L696-W714 HydrophobicContact CG-CH2 4.29Å
697	E	93.7	Very high	90.5	Very high	83 Å²	83	50.7 Å²	50.7	39%	0.388	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-65.8	151.4	175.1	60.7	177.4	-147.6	0	0	111.6	W668 P699	W668-E697 PolarHBondContact NE1-O 2.83Å; E697-P699 VanDerWaalsContact O-CD 3.27Å; E697-P699 WeakPolarHBondContact O-CD 3.34Å
698	K	92.4	Very high	90.4	Very high	73 Å²	73	53.3 Å²	53.3	32%	0.317	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-66.7	119.4	175.2	-178.6	-177.6	169.3	-159.4	0	109	C702 D704 Y707	K698-C702 WeakPolarHBondContact CE-O 3.04Å; K698-C702 HydrophobicContact CG-CB 4.49Å; K698-C702 PolarHBondContact NZ-O 3.15Å; K698-D704 WeakPolarHBondContact CE-OD1 3.33Å; K698-D704 VanDerWaalsContact NZ-CG 3.31Å; K698-D704 IonicContact NZ-OD1 2.76Å; K698-D704 PolarHBondContact NZ-OD1 2.82Å; K698-D704 IonicContact NZ-OD2 3.64Å; K698-Y707 VanDerWaalsContact CA-CE2 3.4Å; K698-Y707 HydrophobicContact CB-CD1 3.8Å; K698-Y707 HydrophobicContact CB-CD2 3.71Å; K698-Y707 HydrophobicContact CB-CE1 3.77Å; K698-Y707 HydrophobicContact CB-CE2 3.7Å; K698-Y707 HydrophobicContact CB-CG 3.76Å; K698-Y707 HydrophobicContact CD-CD1 3.99Å; K698-Y707 HydrophobicContact CD-CG 4.02Å; K698-Y707 HydrophobicContact CG-CD1 3.94Å; K698-Y707 HydrophobicContact CG-CD2 3.86Å; K698-Y707 HydrophobicContact CG-CE1 4.43Å; K698-Y707 HydrophobicContact CG-CE2 4.37Å; K698-Y707 HydrophobicContact CG-CG 3.62Å
699	P	86.6	Confident	90.3	Very high	12 Å²	12	48 Å²	48	8%	0.078	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-60.3	140.6	173.5	-22	33.9	0	0	0	110.7	W668 C671 T672 E697 C701 C702	W668-P699 HydrophobicContact CG-CG 4.35Å; C671-P699 HydrophobicContact CB-CB 4.13Å; C671-P699 HydrophobicContact CB-CG 3.84Å; T672-P699 HydrophobicContact CG2-CB 4.01Å; T672-P699 HydrophobicContact CG2-CG 3.8Å; E697-P699 VanDerWaalsContact O-CD 3.27Å; E697-P699 WeakPolarHBondContact O-CD 3.34Å; P699-C701 VanDerWaalsContact C-N 3.27Å; P699-C701 PolarHBondContact O-N 2.86Å; P699-C702 HydrophobicContact CB-CB 3.93Å; P699-C702 HydrophobicContact CG-CB 4.16Å; P699-C702 WeakPolarHBondContact O-CB 3.31Å; P699-C702 PolarHBondContact O-N 3.12Å
700	V	74.3	Confident	90.3	Very high	96 Å²	96	45.2 Å²	45.2	58%	0.582	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-43.3	-174.7	177.3	0	0	0	0	112.6	C702	V700-C702 VanDerWaalsContact C-N 3.33Å
701	C	70.3	Confident	90.3	Very high	32 Å²	32	47.9 Å²	47.9	22%	0.216	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.4	-177.6	61	0	0	0	0	113.5	C671 P699 V742 D743	C671-C701 PolarHBondContact O-SG 3.38Å; P699-C701 VanDerWaalsContact C-N 3.27Å; P699-C701 PolarHBondContact O-N 2.86Å; C701-V742 HydrophobicContact CB-CG1 3.74Å; C701-V742 CarbonylContact O-C 3.6Å; C701-V742 WeakPolarHBondContact O-CA 3.3Å; C701-D743 PolarHBondContact O-N 2.8Å
702	C	78.9	Confident	90.3	Very high	4 Å²	4	48 Å²	48	3%	0.027	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-80.3	133.6	179.1	-177.8	0	0	0	0	110.9	C671 K698 P699 V700	C671-C702 HydrophobicContact CB-CB 4.25Å; C671-C702 VanDerWaalsContact SG-SG 3.64Å; K698-C702 WeakPolarHBondContact CE-O 3.04Å; K698-C702 HydrophobicContact CG-CB 4.49Å; K698-C702 PolarHBondContact NZ-O 3.15Å; P699-C702 HydrophobicContact CB-CB 3.93Å; P699-C702 HydrophobicContact CG-CB 4.16Å; P699-C702 WeakPolarHBondContact O-CB 3.31Å; P699-C702 PolarHBondContact O-N 3.12Å; V700-C702 VanDerWaalsContact C-N 3.33Å
703	S	81.8	Confident	90.4	Very high	28 Å²	28	44.5 Å²	44.5	20%	0.196	24%	0.239	C	C	.	.			trans	-70.6	151.8	174.6	67.8	0	0	0	0	112.1	A705 I706 Y707 M740 Y741	S703-A705 PolarHBondContact O-N 3.25Å; S703-I706 PolarHBondContact O-N 2.91Å; S703-Y707 PolarHBondContact O-N 3.37Å; S703-M740 WeakPolarHBondContact CB-O 3.43Å; S703-M740 PolarHBondContact OG-O 3.18Å; S703-Y741 PolarHBondContact N-O 2.66Å
704	D	85.8	Confident	90.5	Very high	102 Å²	102	42.2 Å²	42.2	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-56	-38.7	176.2	-73.6	-48.6	0	0	0	111.9	K698 I706 Y707 Q708	K698-D704 WeakPolarHBondContact CE-OD1 3.33Å; K698-D704 VanDerWaalsContact NZ-CG 3.31Å; K698-D704 IonicContact NZ-OD1 2.76Å; K698-D704 PolarHBondContact NZ-OD1 2.82Å; K698-D704 IonicContact NZ-OD2 3.64Å; D704-I706 VanDerWaalsContact C-N 3.33Å; D704-I706 PolarHBondContact O-N 3.08Å; D704-Y707 PolarHBondContact O-N 3.35Å; D704-Q708 VanDerWaalsContact O-CG 3.26Å; D704-Q708 WeakPolarHBondContact O-CG 3.26Å; D704-Q708 PolarHBondContact O-N 3.05Å
705	A	86.4	Confident	90.6	Very high	24 Å²	24	38.3 Å²	38.3	20%	0.198	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-42.5	-179.1	0	0	0	0	0	112.4	S703 L709 L734	S703-A705 PolarHBondContact O-N 3.25Å; A705-L709 PolarHBondContact O-N 3.14Å; A705-L734 HydrophobicContact CB-CD1 4.25Å; A705-L734 HydrophobicContact CB-CD2 3.67Å
706	I	87.6	Confident	90.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-73.1	-40.4	177.2	-64.5	-62.5	0	0	0	111.1	S703 D704 Q708 L709 M710 M731 L734 Y741	S703-I706 PolarHBondContact O-N 2.91Å; D704-I706 VanDerWaalsContact C-N 3.33Å; D704-I706 PolarHBondContact O-N 3.08Å; I706-Q708 VanDerWaalsContact C-N 3.28Å; I706-Q708 PolarHBondContact O-N 2.83Å; I706-L709 HydrophobicContact CD1-CD1 4.33Å; I706-L709 WeakPolarHBondContact O-CA 2.93Å; I706-L709 WeakPolarHBondContact O-CB 3.15Å; I706-L709 PolarHBondContact O-N 2.82Å; I706-M710 HydrophobicContact CG2-CE 3.73Å; I706-M710 WeakPolarHBondContact O-CG 3.23Å; I706-M710 PolarHBondContact O-N 3.15Å; I706-M731 HydrophobicContact CD1-CE 4.42Å; I706-M731 HydrophobicContact CD1-SD 4.1Å; I706-L734 HydrophobicContact CD1-CD1 3.49Å; I706-L734 VanDerWaalsContact CD1-CD1 3.49Å; I706-L734 HydrophobicContact CG1-CD1 4.4Å; I706-Y741 HydrophobicContact CB-CD2 4.44Å; I706-Y741 HydrophobicContact CB-CE2 4.47Å; I706-Y741 HydrophobicContact CD1-CD2 3.36Å; I706-Y741 HydrophobicContact CD1-CE2 3.72Å; I706-Y741 HydrophobicContact CD1-CG 4.35Å; I706-Y741 HydrophobicContact CG1-CD2 3.53Å; I706-Y741 HydrophobicContact CG1-CE2 3.98Å; I706-Y741 HydrophobicContact CG1-CG 4.12Å; I706-Y741 HydrophobicContact CG2-CD2 4.08Å; I706-Y741 HydrophobicContact CG2-CE2 3.65Å
707	Y	93.6	Very high	90.6	Very high	38 Å²	38	45 Å²	45	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-36.7	177	-170.6	-116.1	0	0	0	112.3	L696 K698 S703 D704 L709 M710 L711 W714	L696-Y707 PolarHBondContact O-OH 3.2Å; K698-Y707 VanDerWaalsContact CA-CE2 3.4Å; K698-Y707 HydrophobicContact CB-CD1 3.8Å; K698-Y707 HydrophobicContact CB-CD2 3.71Å; K698-Y707 HydrophobicContact CB-CE1 3.77Å; K698-Y707 HydrophobicContact CB-CE2 3.7Å; K698-Y707 HydrophobicContact CB-CG 3.76Å; K698-Y707 HydrophobicContact CD-CD1 3.99Å; K698-Y707 HydrophobicContact CD-CG 4.02Å; K698-Y707 HydrophobicContact CG-CD1 3.94Å; K698-Y707 HydrophobicContact CG-CD2 3.86Å; K698-Y707 HydrophobicContact CG-CE1 4.43Å; K698-Y707 HydrophobicContact CG-CE2 4.37Å; K698-Y707 HydrophobicContact CG-CG 3.62Å; S703-Y707 PolarHBondContact O-N 3.37Å; D704-Y707 PolarHBondContact O-N 3.35Å; Y707-L709 VanDerWaalsContact C-N 3.28Å; Y707-L709 PolarHBondContact O-N 3.13Å; Y707-M710 HydrophobicContact CD2-CB 4.49Å; Y707-M710 HydrophobicContact CD2-SD 4.09Å; Y707-M710 WeakPolarHBondContact O-CB 3.48Å; Y707-M710 PolarHBondContact O-N 3.17Å; Y707-M710 VanDerWaalsContact O-N 3.11Å; Y707-L711 HydrophobicContact CD1-CD1 3.98Å; Y707-L711 HydrophobicContact CD1-CG 4.27Å; Y707-L711 HydrophobicContact CE1-CD1 3.77Å; Y707-L711 HydrophobicContact CE1-CD2 4.15Å; Y707-L711 HydrophobicContact CE1-CG 3.99Å; Y707-L711 WeakPolarHBondContact O-CG 3.22Å; Y707-L711 PolarHBondContact O-N 2.88Å; Y707-W714 HydrophobicContact CE2-CZ3 4.22Å
708	Q	94.6	Very high	90.8	Very high	102 Å²	102	42.6 Å²	42.6	48%	0.477	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-33.8	172.6	-69.9	-57.5	-35.6	0	0	112.7	D704 I706 Q712	D704-Q708 VanDerWaalsContact O-CG 3.26Å; D704-Q708 WeakPolarHBondContact O-CG 3.26Å; D704-Q708 PolarHBondContact O-N 3.05Å; I706-Q708 VanDerWaalsContact C-N 3.28Å; I706-Q708 PolarHBondContact O-N 2.83Å; Q708-Q712 WeakPolarHBondContact O-CG 3.43Å; Q708-Q712 PolarHBondContact O-N 3.05Å
709	L	94.4	Very high	90.9	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-41.8	171.1	-61.7	-174.2	0	0	0	111.6	A705 I706 Y707 L711 Q712 C713 M727 M730 M731 L734	A705-L709 PolarHBondContact O-N 3.14Å; I706-L709 HydrophobicContact CD1-CD1 4.33Å; I706-L709 WeakPolarHBondContact O-CA 2.93Å; I706-L709 WeakPolarHBondContact O-CB 3.15Å; I706-L709 PolarHBondContact O-N 2.82Å; Y707-L709 VanDerWaalsContact C-N 3.28Å; Y707-L709 PolarHBondContact O-N 3.13Å; L709-L711 VanDerWaalsContact C-N 3.32Å; L709-L711 PolarHBondContact O-N 3.43Å; L709-Q712 PolarHBondContact O-N 3.25Å; L709-C713 PolarHBondContact O-N 2.83Å; L709-C713 PolarHBondContact O-SG 2.83Å; L709-M727 HydrophobicContact CB-CE 4.49Å; L709-M727 HydrophobicContact CB-SD 4.29Å; L709-M727 HydrophobicContact CD1-SD 4.14Å; L709-M727 HydrophobicContact CD2-SD 4.46Å; L709-M730 HydrophobicContact CD2-CB 4Å; L709-M730 HydrophobicContact CD2-CE 3.2Å; L709-M730 HydrophobicContact CD2-SD 4.25Å; L709-M731 HydrophobicContact CD1-CG 4.16Å; L709-M731 HydrophobicContact CD1-SD 3.43Å; L709-M731 WeakPolarHBondContact CD1-SD 3.34Å; L709-L734 HydrophobicContact CD1-CD1 3.48Å; L709-L734 VanDerWaalsContact CD1-CD1 3.48Å; L709-L734 HydrophobicContact CG-CD1 4.15Å
710	M	96.8	Very high	91.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-43.1	175.8	-58.2	-174.5	-167.4	0	0	111.5	L667 W668 C671 I706 Y707 Q712 C713 W714	L667-M710 HydrophobicContact CB-CE 3.82Å; L667-M710 HydrophobicContact CB-CG 3.99Å; L667-M710 HydrophobicContact CB-SD 4.35Å; L667-M710 HydrophobicContact CD1-CG 4.12Å; W668-M710 HydrophobicContact CB-CE 4.49Å; W668-M710 HydrophobicContact CB-SD 4.04Å; C671-M710 HydrophobicContact CB-CE 4.25Å; C671-M710 WeakPolarHBondContact SG-CE 3.28Å; I706-M710 HydrophobicContact CG2-CE 3.73Å; I706-M710 WeakPolarHBondContact O-CG 3.23Å; I706-M710 PolarHBondContact O-N 3.15Å; Y707-M710 HydrophobicContact CD2-CB 4.49Å; Y707-M710 HydrophobicContact CD2-SD 4.09Å; Y707-M710 WeakPolarHBondContact O-CB 3.48Å; Y707-M710 PolarHBondContact O-N 3.17Å; Y707-M710 VanDerWaalsContact O-N 3.11Å; M710-Q712 VanDerWaalsContact C-N 3.31Å; M710-Q712 PolarHBondContact O-N 3.29Å; M710-C713 VanDerWaalsContact O-CB 3.3Å; M710-C713 WeakPolarHBondContact O-CB 3.37Å; M710-C713 PolarHBondContact O-N 2.92Å; M710-C713 VanDerWaalsContact O-N 3.11Å; M710-W714 HydrophobicContact CB-CE3 4.1Å; M710-W714 HydrophobicContact CB-CH2 3.65Å; M710-W714 HydrophobicContact CB-CZ2 4.13Å; M710-W714 HydrophobicContact CB-CZ3 3.64Å; M710-W714 HydrophobicContact CG-CH2 4.27Å; M710-W714 PolarHBondContact O-N 2.75Å; M710-W714 VanDerWaalsContact O-N 3.1Å; M710-W714 HydrophobicContact SD-CH2 3.88Å; M710-W714 HydrophobicContact SD-CZ3 4.49Å
711	L	97.7	Very high	92.6	Very high	56 Å²	56	45.4 Å²	45.4	29%	0.293	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-38.1	176.8	-70.1	175.8	0	0	0	112.3	R695 Y707 L709 W714 S715	R695-L711 HydrophobicContact CB-CD2 4.47Å; R695-L711 HydrophobicContact CG-CD2 4.44Å; Y707-L711 HydrophobicContact CD1-CD1 3.98Å; Y707-L711 HydrophobicContact CD1-CG 4.27Å; Y707-L711 HydrophobicContact CE1-CD1 3.77Å; Y707-L711 HydrophobicContact CE1-CD2 4.15Å; Y707-L711 HydrophobicContact CE1-CG 3.99Å; Y707-L711 WeakPolarHBondContact O-CG 3.22Å; Y707-L711 PolarHBondContact O-N 2.88Å; L709-L711 VanDerWaalsContact C-N 3.32Å; L709-L711 PolarHBondContact O-N 3.43Å; L711-W714 HydrophobicContact CD2-CE3 4.38Å; L711-W714 CarbonylContact O-C 3.03Å; L711-W714 PolarHBondContact O-N 2.88Å; L711-W714 VanDerWaalsContact O-N 3.1Å; L711-S715 PolarHBondContact O-N 2.63Å
712	Q	97.7	Very high	93.9	Very high	71 Å²	71	44.7 Å²	44.7	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-66.6	-34.8	173.6	-70.1	176.9	42.9	0	0	112.8	Q708 L709 M710 W714 S715 P722	Q708-Q712 WeakPolarHBondContact O-CG 3.43Å; Q708-Q712 PolarHBondContact O-N 3.05Å; L709-Q712 PolarHBondContact O-N 3.25Å; M710-Q712 VanDerWaalsContact C-N 3.31Å; M710-Q712 PolarHBondContact O-N 3.29Å; Q712-W714 PolarHBondContact O-N 2.94Å; Q712-S715 PolarHBondContact O-OG 2.77Å; Q712-P722 HydrophobicContact CB-CG 4.5Å; Q712-P722 WeakPolarHBondContact O-CD 3.4Å
713	C	98.4	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-29.7	171.1	-63	0	0	0	0	112	M660 W661 L709 M710 R721 M727	M660-C713 HydrophobicContact CG-CB 4.41Å; M660-C713 WeakPolarHBondContact O-CB 3.43Å; M660-C713 HydrophobicContact SD-CB 4.46Å; M660-C713 VanDerWaalsContact SD-SG 3.64Å; W661-C713 WeakPolarHBondContact CA-O 3.43Å; L709-C713 PolarHBondContact O-N 2.83Å; L709-C713 PolarHBondContact O-SG 2.83Å; M710-C713 VanDerWaalsContact O-CB 3.3Å; M710-C713 WeakPolarHBondContact O-CB 3.37Å; M710-C713 PolarHBondContact O-N 2.92Å; M710-C713 VanDerWaalsContact O-N 3.11Å; C713-R721 VanDerWaalsContact O-CD 3.29Å; C713-R721 WeakPolarHBondContact O-CD 3.03Å; C713-M727 VanDerWaalsContact SG-CE 3.55Å
714	W	98.4	Very high	95.4	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	22.7	-176.5	-52.1	-39.9	0	0	0	114.5	W661 G664 V665 W668 R695 L696 Y707 M710 L711 Q712 E716	W661-W714 HydrophobicContact CD2-CB 4.48Å; W661-W714 AromaticContact CD2-CD1 3.6Å; W661-W714 HydrophobicContact CD2-CG 4.38Å; W661-W714 AromaticContact CE2-CD1 3.74Å; W661-W714 HydrophobicContact CE3-CB 4.06Å; W661-W714 HydrophobicContact CE3-CG 4.43Å; W661-W714 AromaticContact CG-CD1 3.87Å; W661-W714 HydrophobicContact CH2-CB 4.08Å; W661-W714 HydrophobicContact CZ2-CB 4.49Å; W661-W714 HydrophobicContact CZ3-CB 3.85Å; W661-W714 WeakPolarHBondContact CZ3-O 3.49Å; W661-W714 PolarHBondContact O-NE1 2.8Å; G664-W714 VanDerWaalsContact O-CZ2 3.25Å; G664-W714 WeakPolarHBondContact O-CZ2 3.26Å; V665-W714 HydrophobicContact CG2-CZ2 4.43Å; W668-W714 HydrophobicContact CB-CH2 4.28Å; W668-W714 HydrophobicContact CB-CZ2 4.39Å; R695-W714 HydrophobicContact CB-CE3 3.98Å; R695-W714 HydrophobicContact CB-CZ3 4.44Å; R695-W714 HydrophobicContact CG-CB 4.34Å; R695-W714 HydrophobicContact CG-CE3 4.37Å; R695-W714 PolarHBondContact NE-O 3.09Å; R695-W714 PolarHBondContact NH2-O 2.94Å; L696-W714 HydrophobicContact CB-CH2 3.69Å; L696-W714 HydrophobicContact CB-CZ2 4.37Å; L696-W714 HydrophobicContact CB-CZ3 4Å; L696-W714 HydrophobicContact CD1-CH2 3.85Å; L696-W714 HydrophobicContact CD1-CZ2 3.73Å; L696-W714 HydrophobicContact CG-CH2 4.29Å; Y707-W714 HydrophobicContact CE2-CZ3 4.22Å; M710-W714 HydrophobicContact CB-CE3 4.1Å; M710-W714 HydrophobicContact CB-CH2 3.65Å; M710-W714 HydrophobicContact CB-CZ2 4.13Å; M710-W714 HydrophobicContact CB-CZ3 3.64Å; M710-W714 HydrophobicContact CG-CH2 4.27Å; M710-W714 PolarHBondContact O-N 2.75Å; M710-W714 VanDerWaalsContact O-N 3.1Å; M710-W714 HydrophobicContact SD-CH2 3.88Å; M710-W714 HydrophobicContact SD-CZ3 4.49Å; L711-W714 HydrophobicContact CD2-CE3 4.38Å; L711-W714 CarbonylContact O-C 3.03Å; L711-W714 PolarHBondContact O-N 2.88Å; L711-W714 VanDerWaalsContact O-N 3.1Å; Q712-W714 PolarHBondContact O-N 2.94Å; W714-E716 PolarHBondContact O-N 2.95Å
715	S	98.3	Very high	95.6	Very high	31 Å²	31	45 Å²	45	22%	0.217	24%	0.235	C	C	.	.			trans	-54.5	136.7	165.8	-59.8	0	0	0	0	109.8	L711 Q712 R721	L711-S715 PolarHBondContact O-N 2.63Å; Q712-S715 PolarHBondContact O-OG 2.77Å; S715-R721 PolarHBondContact O-NE 3.3Å; S715-R721 PolarHBondContact O-NH2 2.96Å
716	E	97.3	Very high	96	Very high	97 Å²	97	48.7 Å²	48.7	45%	0.453	24%	0.244	S	C	.	.	S	Bend	trans	-60.2	-52.4	-176.1	-178.7	175.1	174.8	0	0	111	I646 W714 R721	I646-E716 HydrophobicContact CD1-CB 4.46Å; I646-E716 HydrophobicContact CD1-CG 4.01Å; W714-E716 PolarHBondContact O-N 2.95Å; E716-R721 PolarHBondContact O-NH2 3.32Å; E716-R721 VanDerWaalsContact O-NH2 3.09Å
717	L	97	Very high	96.3	Very high	85 Å²	85	48.6 Å²	48.6	45%	0.445	24%	0.244	S	C	.	.	S	Bend	trans	-76.2	129.9	176.5	-60.9	179.4	0	0	0	110.9	E719 D720	L717-E719 VanDerWaalsContact C-N 3.26Å; L717-E719 HydrophobicContact CB-CG 4.17Å; L717-E719 PolarHBondContact O-N 2.8Å; L717-D720 PolarHBondContact O-N 2.79Å
718	P	97.8	Very high	96	Very high	33 Å²	33	47.6 Å²	47.6	21%	0.214	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58.1	-33.9	-180	-26.9	35.5	0	0	0	114.6	E647 K657 D720 R721	E647-P718 HydrophobicContact CG-CG 4Å; K657-P718 HydrophobicContact CB-CB 3.9Å; K657-P718 WeakPolarHBondContact CD-O 3.31Å; K657-P718 HydrophobicContact CG-CB 4.34Å; P718-D720 VanDerWaalsContact C-N 3.3Å; P718-D720 PolarHBondContact O-N 3.45Å; P718-R721 WeakPolarHBondContact O-CB 3.38Å; P718-R721 PolarHBondContact O-N 2.8Å
719	E	96.1	Very high	95.5	Very high	131 Å²	131	46.8 Å²	46.8	61%	0.612	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-66.5	-27.6	179.3	55.3	-90.5	-150.9	0	0	113.7	L717 R721	L717-E719 VanDerWaalsContact C-N 3.26Å; L717-E719 HydrophobicContact CB-CG 4.17Å; L717-E719 PolarHBondContact O-N 2.8Å; E719-R721 VanDerWaalsContact C-N 3.29Å
720	D	97.9	Very high	95.2	Very high	105 Å²	105	47.4 Å²	47.4	56%	0.561	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-80.5	-13	178.6	-68.7	-26.8	0	0	0	112.6	L717 P718	L717-D720 PolarHBondContact O-N 2.79Å; P718-D720 VanDerWaalsContact C-N 3.3Å; P718-D720 PolarHBondContact O-N 3.45Å
721	R	98.2	Very high	94.5	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.011	24%	0.24	C	C	.	.	S	Bend	trans	-76.5	144.1	175.3	-56.6	175.4	-163.8	149.4	12.4	109.2	E647 K657 M660 C713 S715 E716 P718 E719	E647-R721 IonicContact OE1-CZ 3.75Å; E647-R721 IonicContact OE1-NH1 3.26Å; E647-R721 PolarHBondContact OE1-NH1 2.86Å; E647-R721 IonicContact OE1-NH2 2.79Å; E647-R721 IonicContact OE2-CZ 3.82Å; E647-R721 IonicContact OE2-NH1 3.1Å; E647-R721 PolarHBondContact OE2-NH1 2.81Å; E647-R721 IonicContact OE2-NH2 2.81Å; E647-R721 PolarHBondContact OE2-NH2 3.13Å; K657-R721 HydrophobicContact CD-CB 4.37Å; K657-R721 PolarHBondContact NZ-O 2.86Å; K657-R721 WeakPolarHBondContact O-CD 3.32Å; K657-R721 PolarHBondContact O-NH1 2.84Å; M660-R721 HydrophobicContact CG-CB 4.13Å; C713-R721 VanDerWaalsContact O-CD 3.29Å; C713-R721 WeakPolarHBondContact O-CD 3.03Å; S715-R721 PolarHBondContact O-NE 3.3Å; S715-R721 PolarHBondContact O-NH2 2.96Å; E716-R721 PolarHBondContact O-NH2 3.32Å; E716-R721 VanDerWaalsContact O-NH2 3.09Å; P718-R721 WeakPolarHBondContact O-CB 3.38Å; P718-R721 PolarHBondContact O-N 2.8Å; E719-R721 VanDerWaalsContact C-N 3.29Å
722	P	97.4	Very high	93.5	Very high	17 Å²	17	46.8 Å²	46.8	11%	0.11	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-65.4	166.6	177	26.2	-32.5	0	0	0	112.1	K657 M660 Q712 R726 M727	K657-P722 VanDerWaalsContact NZ-C 3.31Å; K657-P722 PolarHBondContact NZ-O 3.01Å; M660-P722 HydrophobicContact CE-CG 4.43Å; M660-P722 HydrophobicContact SD-CG 4.26Å; Q712-P722 HydrophobicContact CB-CG 4.5Å; Q712-P722 WeakPolarHBondContact O-CD 3.4Å; P722-R726 HydrophobicContact CB-CB 4.26Å; P722-R726 HydrophobicContact CB-CG 4.26Å; P722-M727 HydrophobicContact CG-CE 3.53Å
723	S	96.2	Very high	92.7	Very high	42 Å²	42	48.4 Å²	48.4	29%	0.294	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-78.4	161.6	162.4	61.4	0	0	0	0	110	M660 L725 R726 M727	M660-S723 VanDerWaalsContact CE-C 3.48Å; S723-L725 PolarHBondContact O-N 2.03Å; S723-R726 PolarHBondContact O-N 2.86Å; S723-R726 WeakPolarHBondContact OG-CB 3Å; S723-R726 PolarHBondContact OG-N 2.9Å; S723-R726 VanDerWaalsContact OG-N 3.14Å; S723-M727 PolarHBondContact O-N 2.96Å
724	F	95.8	Very high	91.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-33.8	174.5	-80.6	-74.1	0	0	0	111.8	M592 A593 E596 D659 M660 Y663 R726 M727 Q728	M592-F724 HydrophobicContact CB-CB 4.47Å; M592-F724 HydrophobicContact CB-CD1 3.37Å; M592-F724 HydrophobicContact CB-CD2 3.89Å; M592-F724 HydrophobicContact CB-CE1 3.32Å; M592-F724 HydrophobicContact CB-CE2 3.85Å; M592-F724 HydrophobicContact CB-CG 3.65Å; M592-F724 HydrophobicContact CB-CZ 3.57Å; M592-F724 HydrophobicContact CE-CE2 3.85Å; M592-F724 HydrophobicContact CE-CZ 3.85Å; M592-F724 HydrophobicContact CG-CD1 4.29Å; M592-F724 HydrophobicContact CG-CE1 3.77Å; M592-F724 HydrophobicContact CG-CE2 4.47Å; M592-F724 HydrophobicContact CG-CZ 3.86Å; A593-F724 VanDerWaalsContact CA-CB 3.47Å; A593-F724 HydrophobicContact CB-CB 3.62Å; E596-F724 HydrophobicContact CB-CD2 4.27Å; E596-F724 PolarHBondContact OE2-N 3.44Å; D659-F724 HydrophobicContact CB-CE2 4.09Å; D659-F724 HydrophobicContact CB-CZ 4.15Å; M660-F724 HydrophobicContact CB-CE2 4.33Å; M660-F724 HydrophobicContact CB-CZ 4.26Å; M660-F724 HydrophobicContact CE-CB 4.19Å; M660-F724 HydrophobicContact CE-CD1 3.47Å; M660-F724 VanDerWaalsContact CE-CD1 3.47Å; M660-F724 HydrophobicContact CE-CD2 3.92Å; M660-F724 HydrophobicContact CE-CE1 3.72Å; M660-F724 HydrophobicContact CE-CE2 4.14Å; M660-F724 HydrophobicContact CE-CG 3.59Å; M660-F724 HydrophobicContact CE-CZ 4.05Å; M660-F724 HydrophobicContact SD-CD1 4.44Å; M660-F724 HydrophobicContact SD-CE1 4.18Å; M660-F724 HydrophobicContact SD-CZ 4.48Å; Y663-F724 HydrophobicContact CD1-CE1 4.24Å; Y663-F724 HydrophobicContact CD2-CE1 4.23Å; Y663-F724 AromaticContact CG-CE1 3.81Å; Y663-F724 HydrophobicContact CG-CE1 3.81Å; F724-R726 VanDerWaalsContact C-N 3.35Å; F724-R726 PolarHBondContact O-N 2.87Å; F724-M727 PolarHBondContact O-N 3.48Å; F724-Q728 WeakPolarHBondContact O-CG 3.5Å; F724-Q728 PolarHBondContact O-N 3.04Å
725	L	90.4	Very high	89.8	Confident	99 Å²	99	50.5 Å²	50.5	52%	0.518	25%	0.254	S	S	.	.	H	α-helix	trans	-58.9	-46.1	172.3	-176.5	63.1	0	0	0	111.5	S723 M727 Q728 E729	S723-L725 PolarHBondContact O-N 2.03Å; L725-M727 VanDerWaalsContact C-N 3.35Å; L725-M727 PolarHBondContact O-N 2.84Å; L725-Q728 WeakPolarHBondContact O-CB 3.25Å; L725-Q728 PolarHBondContact O-N 3.09Å; L725-E729 PolarHBondContact O-N 3.04Å
726	R	94.2	Very high	87.9	Confident	101 Å²	101	52.5 Å²	52.5	38%	0.381	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-38.8	177.2	-178.2	56.7	-176.8	149	8.1	111.9	P722 S723 F724 Q728 E729 M730 E733	P722-R726 HydrophobicContact CB-CB 4.26Å; P722-R726 HydrophobicContact CB-CG 4.26Å; S723-R726 PolarHBondContact O-N 2.86Å; S723-R726 WeakPolarHBondContact OG-CB 3Å; S723-R726 PolarHBondContact OG-N 2.9Å; S723-R726 VanDerWaalsContact OG-N 3.14Å; F724-R726 VanDerWaalsContact C-N 3.35Å; F724-R726 PolarHBondContact O-N 2.87Å; R726-Q728 VanDerWaalsContact C-N 3.33Å; R726-Q728 PolarHBondContact O-N 2.83Å; R726-E729 VanDerWaalsContact CD-OE2 3.26Å; R726-E729 WeakPolarHBondContact CD-OE2 3.46Å; R726-E729 IonicContact CZ-OE2 3.79Å; R726-E729 IonicContact NE-OE2 2.68Å; R726-E729 IonicContact NH1-OE2 2.68Å; R726-E729 PolarHBondContact NH1-OE2 2.66Å; R726-E729 WeakPolarHBondContact O-CB 3.23Å; R726-E729 PolarHBondContact O-N 3.32Å; R726-M730 HydrophobicContact CG-CG 4.49Å; R726-M730 HydrophobicContact CG-SD 3.96Å; R726-M730 WeakPolarHBondContact O-CG 3.39Å; R726-M730 PolarHBondContact O-N 2.71Å; R726-E733 IonicContact NH1-OE1 2.88Å; R726-E733 PolarHBondContact NH1-OE1 2.78Å
727	M	93.5	Very high	85.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-39.2	176.7	-175.9	56.1	62.6	0	0	112.2	M660 Y663 L709 C713 P722 S723 F724 L725 E729 M730 M731	M660-M727 HydrophobicContact CE-CB 4.02Å; M660-M727 HydrophobicContact SD-CE 4.11Å; Y663-M727 HydrophobicContact CD1-CG 4.21Å; Y663-M727 HydrophobicContact CE1-CG 3.5Å; Y663-M727 HydrophobicContact CE1-SD 4.05Å; L709-M727 HydrophobicContact CB-CE 4.49Å; L709-M727 HydrophobicContact CB-SD 4.29Å; L709-M727 HydrophobicContact CD1-SD 4.14Å; L709-M727 HydrophobicContact CD2-SD 4.46Å; C713-M727 VanDerWaalsContact SG-CE 3.55Å; P722-M727 HydrophobicContact CG-CE 3.53Å; S723-M727 PolarHBondContact O-N 2.96Å; F724-M727 PolarHBondContact O-N 3.48Å; L725-M727 VanDerWaalsContact C-N 3.35Å; L725-M727 PolarHBondContact O-N 2.84Å; M727-E729 PolarHBondContact O-N 2.9Å; M727-M730 PolarHBondContact O-N 3.35Å; M727-M731 HydrophobicContact CG-CG 4.45Å; M727-M731 WeakPolarHBondContact O-CB 3.36Å; M727-M731 VanDerWaalsContact O-CG 3.28Å; M727-M731 WeakPolarHBondContact O-CG 3.29Å; M727-M731 PolarHBondContact O-N 3.25Å; M727-M731 HydrophobicContact SD-CG 4.22Å
728	Q	87	Confident	83.7	Confident	16 Å²	16	53 Å²	53	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-45.1	173.7	-69.6	169.7	-6.7	0	0	112.4	A589 N590 F724 L725 R726 M731 K732	A589-Q728 HydrophobicContact CB-CG 3.93Å; A589-Q728 PolarHBondContact O-NE2 3.04Å; N590-Q728 VanDerWaalsContact CA-NE2 3.26Å; N590-Q728 PolarHBondContact OD1-NE2 2.75Å; F724-Q728 WeakPolarHBondContact O-CG 3.5Å; F724-Q728 PolarHBondContact O-N 3.04Å; L725-Q728 WeakPolarHBondContact O-CB 3.25Å; L725-Q728 PolarHBondContact O-N 3.09Å; R726-Q728 VanDerWaalsContact C-N 3.33Å; R726-Q728 PolarHBondContact O-N 2.83Å; Q728-M731 PolarHBondContact O-N 3.47Å; Q728-K732 VanDerWaalsContact O-CG 3.29Å; Q728-K732 WeakPolarHBondContact O-CG 3.34Å; Q728-K732 PolarHBondContact O-N 3.15Å
729	E	84.9	Confident	81.2	Confident	85 Å²	85	59 Å²	59	40%	0.397	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-49.5	177.9	-65.6	170.3	175	0	0	110.5	L725 R726 M727 M731 K732 E733	L725-E729 PolarHBondContact O-N 3.04Å; R726-E729 VanDerWaalsContact CD-OE2 3.26Å; R726-E729 WeakPolarHBondContact CD-OE2 3.46Å; R726-E729 IonicContact CZ-OE2 3.79Å; R726-E729 IonicContact NE-OE2 2.68Å; R726-E729 IonicContact NH1-OE2 2.68Å; R726-E729 PolarHBondContact NH1-OE2 2.66Å; R726-E729 WeakPolarHBondContact O-CB 3.23Å; R726-E729 PolarHBondContact O-N 3.32Å; M727-E729 PolarHBondContact O-N 2.9Å; E729-M731 VanDerWaalsContact C-N 3.34Å; E729-M731 PolarHBondContact O-N 3.08Å; E729-K732 WeakPolarHBondContact O-CB 3.4Å; E729-K732 PolarHBondContact O-N 3.45Å; E729-K732 VanDerWaalsContact O-N 3.14Å; E729-E733 WeakPolarHBondContact O-CG 3.18Å; E729-E733 PolarHBondContact O-N 3.24Å
730	M	88.3	Confident	79	Confident	22 Å²	22	57.5 Å²	57.5	11%	0.108	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-40.8	179.3	-65	170.3	75.6	0	0	112.1	L709 R726 M727 E733 L734	L709-M730 HydrophobicContact CD2-CB 4Å; L709-M730 HydrophobicContact CD2-CE 3.2Å; L709-M730 HydrophobicContact CD2-SD 4.25Å; R726-M730 HydrophobicContact CG-CG 4.49Å; R726-M730 HydrophobicContact CG-SD 3.96Å; R726-M730 WeakPolarHBondContact O-CG 3.39Å; R726-M730 PolarHBondContact O-N 2.71Å; M727-M730 PolarHBondContact O-N 3.35Å; M730-E733 PolarHBondContact O-N 2.76Å; M730-L734 WeakPolarHBondContact O-CG 2.92Å; M730-L734 PolarHBondContact O-N 2.85Å; M730-L734 VanDerWaalsContact O-N 3.09Å
731	M	82.9	Confident	76.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-38.3	175.3	-75.1	-65.3	-63.1	0	0	112.4	Q582 A585 L586 I706 L709 M727 Q728 E729 T735 Y741	Q582-M731 HydrophobicContact CG-CE 4.02Å; A585-M731 HydrophobicContact CB-CE 3.32Å; L586-M731 HydrophobicContact CD1-CB 4.07Å; I706-M731 HydrophobicContact CD1-CE 4.42Å; I706-M731 HydrophobicContact CD1-SD 4.1Å; L709-M731 HydrophobicContact CD1-CG 4.16Å; L709-M731 HydrophobicContact CD1-SD 3.43Å; L709-M731 WeakPolarHBondContact CD1-SD 3.34Å; M727-M731 HydrophobicContact CG-CG 4.45Å; M727-M731 WeakPolarHBondContact O-CB 3.36Å; M727-M731 VanDerWaalsContact O-CG 3.28Å; M727-M731 WeakPolarHBondContact O-CG 3.29Å; M727-M731 PolarHBondContact O-N 3.25Å; M727-M731 HydrophobicContact SD-CG 4.22Å; Q728-M731 PolarHBondContact O-N 3.47Å; E729-M731 VanDerWaalsContact C-N 3.34Å; E729-M731 PolarHBondContact O-N 3.08Å; M731-T735 PolarHBondContact O-N 3.06Å; M731-T735 VanDerWaalsContact O-N 3.13Å; M731-T735 PolarHBondContact O-OG1 3.07Å; M731-Y741 HydrophobicContact CE-CD2 4.41Å; M731-Y741 HydrophobicContact CE-CE2 4.21Å
732	K	76.9	Confident	74	Confident	42 Å²	42	52.5 Å²	52.5	18%	0.183	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-45.4	174	-72.6	171.1	-177.1	175.3	0	111.1	L586 Q728 E729 L734 T735 Q736	L586-K732 HydrophobicContact CD1-CG 4.1Å; L586-K732 HydrophobicContact CD2-CG 4.31Å; Q728-K732 VanDerWaalsContact O-CG 3.29Å; Q728-K732 WeakPolarHBondContact O-CG 3.34Å; Q728-K732 PolarHBondContact O-N 3.15Å; E729-K732 WeakPolarHBondContact O-CB 3.4Å; E729-K732 PolarHBondContact O-N 3.45Å; E729-K732 VanDerWaalsContact O-N 3.14Å; K732-L734 VanDerWaalsContact C-N 3.28Å; K732-L734 PolarHBondContact O-N 2.95Å; K732-T735 WeakPolarHBondContact O-CA 3.49Å; K732-T735 WeakPolarHBondContact O-CB 3.39Å; K732-T735 PolarHBondContact O-N 2.85Å; K732-Q736 VanDerWaalsContact O-CG 3.31Å; K732-Q736 WeakPolarHBondContact O-CG 3.34Å; K732-Q736 PolarHBondContact O-N 3.34Å
733	E	79.5	Confident	71.7	Confident	105 Å²	105	54.1 Å²	54.1	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-54.8	-43.3	176.3	-71.9	167.8	-159.6	0	0	111.5	R726 E729 M730 Q736 G737	R726-E733 IonicContact NH1-OE1 2.88Å; R726-E733 PolarHBondContact NH1-OE1 2.78Å; E729-E733 WeakPolarHBondContact O-CG 3.18Å; E729-E733 PolarHBondContact O-N 3.24Å; M730-E733 PolarHBondContact O-N 2.76Å; E733-Q736 PolarHBondContact O-N 3.24Å; E733-G737 PolarHBondContact O-N 3.23Å
734	L	71.3	Confident	69.3	Low	20 Å²	20	54.1 Å²	54.1	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-39.9	175.2	-68.5	-177.8	0	0	0	113	A705 I706 L709 M730 K732 Q736 G737 R739	A705-L734 HydrophobicContact CB-CD1 4.25Å; A705-L734 HydrophobicContact CB-CD2 3.67Å; I706-L734 HydrophobicContact CD1-CD1 3.49Å; I706-L734 VanDerWaalsContact CD1-CD1 3.49Å; I706-L734 HydrophobicContact CG1-CD1 4.4Å; L709-L734 HydrophobicContact CD1-CD1 3.48Å; L709-L734 VanDerWaalsContact CD1-CD1 3.48Å; L709-L734 HydrophobicContact CG-CD1 4.15Å; M730-L734 WeakPolarHBondContact O-CG 2.92Å; M730-L734 PolarHBondContact O-N 2.85Å; M730-L734 VanDerWaalsContact O-N 3.09Å; K732-L734 VanDerWaalsContact C-N 3.28Å; K732-L734 PolarHBondContact O-N 2.95Å; L734-Q736 VanDerWaalsContact C-N 3.34Å; L734-G737 PolarHBondContact O-N 3.15Å; L734-R739 PolarHBondContact O-N 2.83Å
735	T	64.8	Low	66.5	Low	27 Å²	27	62.5 Å²	62.5	17%	0.166	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-42	177.3	-52.7	0	0	0	0	110.5	L75 Q582 M731 K732 N738	L75-T735 HydrophobicContact CB-CG2 3.92Å; L75-T735 HydrophobicContact CD1-CG2 3.73Å; L75-T735 HydrophobicContact CG-CG2 4.27Å; Q582-T735 VanDerWaalsContact CD-OG1 3.31Å; Q582-T735 VanDerWaalsContact NE2-N 3.19Å; Q582-T735 PolarHBondContact NE2-OG1 3.18Å; M731-T735 PolarHBondContact O-N 3.06Å; M731-T735 VanDerWaalsContact O-N 3.13Å; M731-T735 PolarHBondContact O-OG1 3.07Å; K732-T735 WeakPolarHBondContact O-CA 3.49Å; K732-T735 WeakPolarHBondContact O-CB 3.39Å; K732-T735 PolarHBondContact O-N 2.85Å; T735-N738 PolarHBondContact O-N 3.41Å
736	Q	59.4	Low	63.8	Low	73 Å²	73	62.5 Å²	62.5	34%	0.341	30%	0.303	S	S	.	.	H	α-helix	trans	-70.4	-31.7	179.4	-67.1	-173	7.1	0	0	113.2	K76 E123 K732 E733 L734 N738	K76-Q736 HydrophobicContact CD-CB 4.48Å; K76-Q736 HydrophobicContact CD-CG 4.11Å; E123-Q736 PolarHBondContact OE1-NE2 3.3Å; K732-Q736 VanDerWaalsContact O-CG 3.31Å; K732-Q736 WeakPolarHBondContact O-CG 3.34Å; K732-Q736 PolarHBondContact O-N 3.34Å; E733-Q736 PolarHBondContact O-N 3.24Å; L734-Q736 VanDerWaalsContact C-N 3.34Å; Q736-N738 PolarHBondContact O-N 3.09Å
737	G	52.6	Low	60.9	Low	48 Å²	48	61.6 Å²	61.6	50%	0.495	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	3.8	177.3	0	0	0	0	0	114.8	E733 L734 R739	E733-G737 PolarHBondContact O-N 3.23Å; L734-G737 PolarHBondContact O-N 3.15Å; G737-R739 PolarHBondContact O-N 3.16Å; G737-R739 VanDerWaalsContact O-N 3.15Å
738	N	52	Low	58.2	Low	145 Å²	145	68.8 Å²	68.8	78%	0.775	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	27.5	-175	-144.2	38	0	0	0	113.2	T735 Q736 M740	T735-N738 PolarHBondContact O-N 3.41Å; Q736-N738 PolarHBondContact O-N 3.09Å; N738-M740 PolarHBondContact O-N 2.87Å
739	R	46	Very low	55.4	Low	157 Å²	157	74.8 Å²	74.8	59%	0.592	38%	0.383	S	S	*	.			trans	-83.6	112.1	177	-67.8	-176.4	178.5	-179.6	-0.4	108	L734 G737	L734-R739 PolarHBondContact O-N 2.83Å; G737-R739 PolarHBondContact O-N 3.16Å; G737-R739 VanDerWaalsContact O-N 3.15Å
740	M	49	Very low	52.8	Low	101 Å²	101	78.7 Å²	78.7	50%	0.498	40%	0.401	S	S	.	.			trans	-62.5	137.6	-177.2	-66.4	-174.4	-175.6	0	0	111.2	A578 S703 N738	A578-M740 HydrophobicContact CB-CB 4.07Å; A578-M740 HydrophobicContact CB-CG 4.36Å; S703-M740 WeakPolarHBondContact CB-O 3.43Å; S703-M740 PolarHBondContact OG-O 3.18Å; N738-M740 PolarHBondContact O-N 2.87Å
741	Y	44.5	Very low	50.3	Low	0 Å²	0	84.1 Å²	84.1	0%	0	44%	0.435	C	S	.	.	S	Bend	trans	-68.3	-46.4	176.5	-174.9	-91.9	0	0	0	111.3	A578 L581 Q582 A585 L667 I670 C671 S703 I706 M731	A578-Y741 WeakPolarHBondContact O-CB 3.16Å; L581-Y741 HydrophobicContact CB-CD1 3.42Å; L581-Y741 VanDerWaalsContact CB-CD1 3.42Å; L581-Y741 HydrophobicContact CB-CE1 3.81Å; L581-Y741 HydrophobicContact CB-CG 4.23Å; L581-Y741 HydrophobicContact CD1-CD1 4.43Å; Q582-Y741 HydrophobicContact CB-CD2 4.01Å; Q582-Y741 HydrophobicContact CB-CG 4.1Å; Q582-Y741 HydrophobicContact CG-CD2 4.02Å; A585-Y741 HydrophobicContact CB-CE2 3.73Å; L667-Y741 PolarHBondContact O-OH 2.87Å; I670-Y741 HydrophobicContact CB-CE1 4.43Å; I670-Y741 HydrophobicContact CG2-CE1 3.68Å; C671-Y741 WeakPolarHBondContact SG-CE1 3.2Å; S703-Y741 PolarHBondContact N-O 2.66Å; I706-Y741 HydrophobicContact CB-CD2 4.44Å; I706-Y741 HydrophobicContact CB-CE2 4.47Å; I706-Y741 HydrophobicContact CD1-CD2 3.36Å; I706-Y741 HydrophobicContact CD1-CE2 3.72Å; I706-Y741 HydrophobicContact CD1-CG 4.35Å; I706-Y741 HydrophobicContact CG1-CD2 3.53Å; I706-Y741 HydrophobicContact CG1-CE2 3.98Å; I706-Y741 HydrophobicContact CG1-CG 4.12Å; I706-Y741 HydrophobicContact CG2-CD2 4.08Å; I706-Y741 HydrophobicContact CG2-CE2 3.65Å; M731-Y741 HydrophobicContact CE-CD2 4.41Å; M731-Y741 HydrophobicContact CE-CE2 4.21Å
742	V	47	Very low	47.8	Very low	2 Å²	2	92.8 Å²	92.8	1%	0.012	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-131.5	128.5	176.3	165.4	0	0	0	0	108.7	A578 L581 C671 C701 F744	A578-V742 WeakPolarHBondContact CB-O 3.41Å; L581-V742 HydrophobicContact CD1-CB 3.9Å; L581-V742 HydrophobicContact CD1-CG1 4.34Å; L581-V742 HydrophobicContact CD1-CG2 3.85Å; C671-V742 HydrophobicContact CB-CG2 4.5Å; C701-V742 HydrophobicContact CB-CG1 3.74Å; C701-V742 CarbonylContact O-C 3.6Å; C701-V742 WeakPolarHBondContact O-CA 3.3Å; V742-F744 HydrophobicContact CB-CE2 4.36Å; V742-F744 HydrophobicContact CB-CZ 4.45Å; V742-F744 HydrophobicContact CG1-CD1 4Å; V742-F744 HydrophobicContact CG1-CD2 3.89Å; V742-F744 HydrophobicContact CG1-CE1 3.65Å; V742-F744 HydrophobicContact CG1-CE2 3.54Å; V742-F744 HydrophobicContact CG1-CG 4.12Å; V742-F744 HydrophobicContact CG1-CZ 3.41Å; V742-F744 VanDerWaalsContact CG1-CZ 3.41Å
743	D	48.6	Very low	45.5	Very low	52 Å²	52	95.8 Å²	95.8	28%	0.278	49%	0.493	S	S	.	.			trans	-105.8	105.4	174.1	-167	-19.6	0	0	0	109.2	C701 Y745 V746	C701-D743 PolarHBondContact O-N 2.8Å; D743-Y745 VanDerWaalsContact C-N 3.32Å; D743-Y745 WeakPolarHBondContact OD1-CB 3.35Å; D743-Y745 PolarHBondContact OD1-N 2.9Å; D743-V746 HydrophobicContact CB-CG2 4.09Å; D743-V746 VanDerWaalsContact CG-CG2 3.48Å; D743-V746 VanDerWaalsContact OD2-CG2 3.24Å; D743-V746 WeakPolarHBondContact OD2-CG2 2.99Å
744	F	46	Very low	43.1	Very low	42 Å²	42	93.3 Å²	93.3	18%	0.184	49%	0.488	C	S	.	.	S	Bend	trans	-79.2	-15.2	177.5	-65.7	-74.2	0	0	0	112.8	Y523 L581 V742 S747	Y523-F744 HydrophobicContact CE2-CD1 4.36Å; L581-F744 HydrophobicContact CD1-CE2 4.42Å; L581-F744 HydrophobicContact CD1-CZ 4.24Å; V742-F744 HydrophobicContact CB-CE2 4.36Å; V742-F744 HydrophobicContact CB-CZ 4.45Å; V742-F744 HydrophobicContact CG1-CD1 4Å; V742-F744 HydrophobicContact CG1-CD2 3.89Å; V742-F744 HydrophobicContact CG1-CE1 3.65Å; V742-F744 HydrophobicContact CG1-CE2 3.54Å; V742-F744 HydrophobicContact CG1-CG 4.12Å; V742-F744 HydrophobicContact CG1-CZ 3.41Å; V742-F744 VanDerWaalsContact CG1-CZ 3.41Å; F744-S747 PolarHBondContact O-OG 2.03Å
745	Y	37.3	Very low	41.3	Very low	175 Å²	175	99.1 Å²	99.1	69%	0.686	51%	0.514	S	S	*	.	S	Bend	trans	-83.3	-25.2	-174.6	-65.1	-82.2	0	0	0	113.1	D743 S747	D743-Y745 VanDerWaalsContact C-N 3.32Å; D743-Y745 WeakPolarHBondContact OD1-CB 3.35Å; D743-Y745 PolarHBondContact OD1-N 2.9Å; Y745-S747 PolarHBondContact O-N 3.23Å
746	V	34	Very low	40.1	Very low	100 Å²	100	101.2 Å²	101.2	61%	0.606	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.3	-179.1	173.9	0	0	0	0	112.6	D743 L748	D743-V746 HydrophobicContact CB-CG2 4.09Å; D743-V746 VanDerWaalsContact CG-CG2 3.48Å; D743-V746 VanDerWaalsContact OD2-CG2 3.24Å; D743-V746 WeakPolarHBondContact OD2-CG2 2.99Å; V746-L748 VanDerWaalsContact C-N 3.3Å; V746-L748 PolarHBondContact O-N 3.28Å
747	S	34.3	Very low	38.9	Very low	81 Å²	81	103 Å²	103	57%	0.566	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-80	3.3	-176.1	67.6	0	0	0	0	116.3	F744 Y745	F744-S747 PolarHBondContact O-OG 2.03Å; Y745-S747 PolarHBondContact O-N 3.23Å
748	L	34.9	Very low	37.8	Very low	151 Å²	151	101.6 Å²	101.6	79%	0.791	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-86.8	-15.8	176.3	-79.3	162.1	0	0	0	114.1	V746	V746-L748 VanDerWaalsContact C-N 3.3Å; V746-L748 PolarHBondContact O-N 3.28Å
749	D	28.9	Very low	36.7	Very low	142 Å²	142	102 Å²	102	76%	0.759	51%	0.508	S	S	*	.	S	Bend	trans	-108.9	119	176.7	-89.6	-24.6	0	0	0	112
750	E	30	Very low	36.2	Very low	167 Å²	167	100.6 Å²	100.6	78%	0.78	51%	0.512	S	S	*	.			trans	70.7	94.6	150.6	-60.3	-170.2	160	0	0	121.2	Q752	E750-Q752 PolarHBondContact O-N 3.37Å
751	T	35.9	Very low	35.2	Very low	136 Å²	136	101.2 Å²	101.2	83%	0.834	52%	0.517	S	S	*	.	S	Bend		58.6	15.7	125.9	41	0	0	0	0	123.9
752	Q	30.1	Very low	34.3	Very low	182 Å²	182	106.8 Å²	106.8	85%	0.85	54%	0.543	S	S	*	.			trans	-128.9	74.2	166.6	-66.1	-159.3	10.6	0	0	113.3	E750 S754	E750-Q752 PolarHBondContact O-N 3.37Å; Q752-S754 PolarHBondContact O-N 3.25Å
753	L	29.3	Very low	33.6	Very low	105 Å²	105	116.2 Å²	116.2	55%	0.55	58%	0.584	S	S	.	*			trans	-82.5	100.2	174.8	-76.2	145.4	0	0	0	110.5	C758 L761	L753-C758 HydrophobicContact CB-CB 4.13Å; L753-C758 WeakPolarHBondContact CB-SG 3.21Å; L753-L761 HydrophobicContact CD1-CD1 4.03Å
754	S	29.1	Very low	32.8	Very low	53 Å²	53	124.8 Å²	124.8	37%	0.371	61%	0.612	S	S	.	*			trans	-75.3	154.7	165.8	71.6	0	0	0	0	111.4	Q752 D756 Y757	Q752-S754 PolarHBondContact O-N 3.25Å; S754-D756 VanDerWaalsContact C-N 3.28Å; S754-D756 PolarHBondContact O-N 3.12Å; S754-Y757 PolarHBondContact O-N 3.16Å
755	E	34.4	Very low	32.1	Very low	142 Å²	142	128 Å²	128	66%	0.664	64%	0.64	S	S	*	*	H	α-helix	trans	-60.7	-19.7	-159	-71.6	176.7	153.2	0	0	116.2	Y757 C758	E755-Y757 VanDerWaalsContact C-N 3.28Å; E755-Y757 PolarHBondContact O-N 2.82Å; E755-C758 PolarHBondContact O-N 2.93Å
756	D	39	Very low	31.7	Very low	71 Å²	71	128.1 Å²	128.1	38%	0.38	67%	0.666	S	S	.	*	H	α-helix	trans	-76.4	-12.4	-175	-86.3	-7	0	0	0	114.5	S754	S754-D756 VanDerWaalsContact C-N 3.28Å; S754-D756 PolarHBondContact O-N 3.12Å
757	Y	33.8	Very low	31.6	Very low	110 Å²	110	129.6 Å²	129.6	43%	0.431	67%	0.669	S	S	.	*	H	α-helix	trans	-110.4	-7.4	169	-144.9	-100.9	0	0	0	113.5	Y523 S754 E755	Y523-Y757 WeakPolarHBondContact CD1-OH 3.21Å; Y523-Y757 VanDerWaalsContact CE1-OH 3.29Å; Y523-Y757 WeakPolarHBondContact CE1-OH 3.13Å; S754-Y757 PolarHBondContact O-N 3.16Å; E755-Y757 VanDerWaalsContact C-N 3.28Å; E755-Y757 PolarHBondContact O-N 2.82Å
758	C	29.2	Very low	31.5	Very low	19 Å²	19	132.1 Å²	132.1	13%	0.128	68%	0.675	C	S	.	*	H	α-helix	trans	-111.6	6.4	-159.5	-133.1	0	0	0	0	117.8	L753 E755 L760 L761	L753-C758 HydrophobicContact CB-CB 4.13Å; L753-C758 WeakPolarHBondContact CB-SG 3.21Å; E755-C758 PolarHBondContact O-N 2.93Å; C758-L760 PolarHBondContact O-N 3.31Å; C758-L761 PolarHBondContact O-N 2.89Å
759	H	30.5	Very low	31.3	Very low	154 Å²	154	131.1 Å²	131.1	71%	0.713	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-1.7	166.1	-81.5	-47.2	0	0	0	114.1	E762	H759-E762 IonicContact CE1-OE2 2.66Å; H759-E762 IonicContact ND1-OE2 2.71Å; H759-E762 PolarHBondContact ND1-OE2 3.35Å
760	L	34	Very low	31.4	Very low	128 Å²	128	130.4 Å²	130.4	67%	0.67	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-4.9	175	-69	172.3	0	0	0	115.1	C758	C758-L760 PolarHBondContact O-N 3.31Å
761	L	28.1	Very low	31.5	Very low	114 Å²	114	128.1 Å²	128.1	60%	0.597	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	-3.9	172.9	-69.2	173.7	0	0	0	114.6	L753 C758 K763 R764	L753-L761 HydrophobicContact CD1-CD1 4.03Å; C758-L761 PolarHBondContact O-N 2.89Å; L761-K763 PolarHBondContact O-N 3.15Å; L761-R764 PolarHBondContact O-N 3.32Å
762	E	27.1	Very low	31.2	Very low	116 Å²	116	127.6 Å²	127.6	54%	0.542	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	-0.3	173.4	-81.9	-171.9	136.2	0	0	115.4	H759 R764	H759-E762 IonicContact CE1-OE2 2.66Å; H759-E762 IonicContact ND1-OE2 2.71Å; H759-E762 PolarHBondContact ND1-OE2 3.35Å; E762-R764 PolarHBondContact O-N 3.2Å; E762-R764 VanDerWaalsContact O-N 3.11Å
763	K	31.6	Very low	31.3	Very low	201 Å²	201	123.7 Å²	123.7	87%	0.874	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	16.5	164.8	-86	-166.6	176.1	-174	0	114.4	L761	L761-K763 PolarHBondContact O-N 3.15Å
764	R	31.8	Very low	31.4	Very low	231 Å²	231	125.2 Å²	125.2	87%	0.872	64%	0.635	S	S	*	*	S	Bend	trans	-125	69.9	163.3	-84	-171.9	173.2	-178	-0.8	111.2	L761 E762	L761-R764 PolarHBondContact O-N 3.32Å; E762-R764 PolarHBondContact O-N 3.2Å; E762-R764 VanDerWaalsContact O-N 3.11Å
765	S	30.4	Very low	31.6	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	66%	0.657	S	S	*	*			trans	-170.4	53.9	142.4	54.2	0	0	0	0	112.3
766	S	30	Very low	31.4	Very low	177 Å²	177	130.2 Å²	130.2	100%	1.238	66%	0.656	S	S	*	*			trans	-163.2	0	155.7	63.6	0	0	0	0	107.4

Retrieved 766 of 766 residues in 490.4 ms (Link to these results)

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